A0A3Q0KDS4_SCHMA Loading...

Tubulin epsilon chain, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KDS4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 466 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
1M68.7Low92.3Very high106 Ų10622.7 Ų22.752%0.52211%0.114SC..  0149.70-71.4-176.9-170.300107.5N39 S40M1-N39 HydrophobicContact CE-CB 3.75Å; M1-N39 HydrophobicContact SD-CB 4.25Å; M1-N39 VanDerWaalsContact SD-O 3.39Å; M1-S40 VanDerWaalsContact CE-N 3.33Å; M1-S40 WeakPolarHBondContact SD-CA 3.18Å; M1-S40 PolarHBondContact SD-N 3.18Å; M1-S40 VanDerWaalsContact SD-N 3.37Å
2T83.9Confident92.6Very high37 Ų3722.7 Ų22.723%0.22712%0.117CC..  trans-73.1153.1176.954.20000110.3S43 Q134T2-S43 WeakPolarHBondContact O-CA 3.48Å; T2-S43 WeakPolarHBondContact O-CB 3.35Å; T2-S43 PolarHBondContact O-OG 3.42Å; T2-Q134 VanDerWaalsContact OG1-CD 3.28Å; T2-Q134 PolarHBondContact OG1-OE1 3.24Å
3Q90.1Very high92.9Very high3 Ų320.9 Ų20.91%0.01411%0.108CC..EExtended strand (participates in β ladder)trans-117.1145.9-177.3-64.8129-14.600110.8S42 S43 C130 D131 S132 Q134Q3-S42 WeakPolarHBondContact CG-O 3.17Å; Q3-S43 WeakPolarHBondContact CA-O 3.39Å; Q3-C130 HydrophobicContact CB-CB 4.2Å; Q3-C130 VanDerWaalsContact OE1-C 3.3Å; Q3-C130 VanDerWaalsContact OE1-CA 3.25Å; Q3-D131 PolarHBondContact NE2-OD2 3.15Å; Q3-S132 PolarHBondContact N-O 2.76Å; Q3-S132 PolarHBondContact OE1-O 3.1Å; Q3-Q134 WeakPolarHBondContact O-CB 3.46Å; Q3-Q134 PolarHBondContact O-N 2.83Å
4S93.2Very high93.2Very high0 Ų019.4 Ų19.40%010%0.1CC..EExtended strand (participates in β ladder)trans-122.3144.6176.1-55.90000110.3S43 R65 C135S4-S43 PolarHBondContact N-O 2.92Å; S4-R65 WeakPolarHBondContact O-CB 3.3Å; S4-C135 WeakPolarHBondContact CA-O 3.3Å; S4-C135 PolarHBondContact OG-SG 3.13Å; S4-C135 VanDerWaalsContact OG-SG 3.36Å
5V95.5Very high93.4Very high0 Ų020.7 Ų20.70%011%0.105CC..EExtended strand (participates in β ladder)trans-107.5124.8176.2175.80000108.9I7 L67 S126 L133 C135 F136 F137V5-I7 HydrophobicContact CG1-CG1 4.35Å; V5-L67 HydrophobicContact CG1-CD1 4.29Å; V5-S126 WeakPolarHBondContact CG1-OG 3.23Å; V5-S126 WeakPolarHBondContact CG2-OG 3.46Å; V5-L133 HydrophobicContact CG2-CD1 3.88Å; V5-C135 PolarHBondContact N-O 3.38Å; V5-F136 HydrophobicContact CB-CD1 3.8Å; V5-F136 HydrophobicContact CB-CE1 4.06Å; V5-F136 HydrophobicContact CG1-CD1 4.15Å; V5-F136 HydrophobicContact CG1-CE1 4.35Å; V5-F136 HydrophobicContact CG2-CE1 4.43Å; V5-F136 WeakPolarHBondContact O-CA 3.36Å; V5-F137 PolarHBondContact O-N 3.35Å
6F97.6Very high93.6Very high0 Ų019.6 Ų19.60%010%0.1CC..EExtended strand (participates in β ladder)trans-98.9124.3178.2-74.5-102.5000110.6F20 W21 F44 R65 A66 L67 F137 L139 T261F6-F20 HydrophobicContact CD1-CD1 4.49Å; F6-F20 HydrophobicContact CD1-CE1 4.12Å; F6-F20 HydrophobicContact CD2-CE1 4.3Å; F6-F20 HydrophobicContact CE1-CD1 4.31Å; F6-F20 AromaticContact CE1-CE1 3.71Å; F6-F20 HydrophobicContact CE1-CE1 3.71Å; F6-F20 HydrophobicContact CE1-CE2 4.39Å; F6-F20 AromaticContact CE1-CZ 3.73Å; F6-F20 HydrophobicContact CE1-CZ 3.73Å; F6-F20 AromaticContact CE2-CE1 3.91Å; F6-F20 HydrophobicContact CE2-CE1 3.91Å; F6-F20 AromaticContact CE2-CZ 3.96Å; F6-F20 HydrophobicContact CE2-CZ 3.96Å; F6-F20 HydrophobicContact CG-CE1 4.4Å; F6-F20 AromaticContact CZ-CE1 3.61Å; F6-F20 HydrophobicContact CZ-CE1 3.61Å; F6-F20 HydrophobicContact CZ-CE2 4.27Å; F6-F20 AromaticContact CZ-CZ 3.37Å; F6-F20 HydrophobicContact CZ-CZ 3.37Å; F6-W21 HydrophobicContact CB-CZ2 3.95Å; F6-W21 AromaticContact CD2-CH2 3.86Å; F6-W21 HydrophobicContact CD2-CH2 3.86Å; F6-W21 AromaticContact CD2-CZ2 3.97Å; F6-W21 HydrophobicContact CD2-CZ2 3.97Å; F6-W21 HydrophobicContact CE2-CH2 4.37Å; F6-W21 HydrophobicContact CG-CH2 4.39Å; F6-W21 HydrophobicContact CG-CZ2 4.04Å; F6-F44 HydrophobicContact CE2-CD1 4.12Å; F6-F44 AromaticContact CE2-CE1 3.69Å; F6-F44 HydrophobicContact CE2-CE1 3.69Å; F6-F44 AromaticContact CE2-CZ 3.95Å; F6-F44 HydrophobicContact CE2-CZ 3.95Å; F6-F44 HydrophobicContact CZ-CE1 4.16Å; F6-F44 AromaticContact CZ-CZ 4Å; F6-F44 HydrophobicContact CZ-CZ 4Å; F6-R65 PolarHBondContact N-O 3.35Å; F6-A66 CarbonylContact O-C 3.51Å; F6-A66 VanDerWaalsContact O-CA 3.23Å; F6-A66 WeakPolarHBondContact O-CA 3.41Å; F6-L67 PolarHBondContact O-N 3.15Å; F6-F137 CarbonylContact C-O 3.41Å; F6-F137 HydrophobicContact CD1-CB 3.5Å; F6-F137 VanDerWaalsContact CD1-CB 3.5Å; F6-F137 HydrophobicContact CD1-CD2 4.17Å; F6-F137 AromaticContact CD1-CG 3.98Å; F6-F137 HydrophobicContact CD1-CG 3.98Å; F6-F137 HydrophobicContact CD2-CD2 4.27Å; F6-F137 HydrophobicContact CE1-CB 3.67Å; F6-F137 HydrophobicContact CE1-CD1 4.28Å; F6-F137 AromaticContact CE1-CD2 3.64Å; F6-F137 HydrophobicContact CE1-CD2 3.64Å; F6-F137 HydrophobicContact CE1-CE2 4.35Å; F6-F137 AromaticContact CE1-CG 3.59Å; F6-F137 HydrophobicContact CE1-CG 3.59Å; F6-F137 AromaticContact CE2-CD2 3.74Å; F6-F137 HydrophobicContact CE2-CD2 3.74Å; F6-F137 HydrophobicContact CE2-CE2 4.26Å; F6-F137 HydrophobicContact CE2-CG 4.48Å; F6-F137 HydrophobicContact CG-CB 4Å; F6-F137 HydrophobicContact CG-CD2 4.46Å; F6-F137 HydrophobicContact CZ-CB 4.29Å; F6-F137 AromaticContact CZ-CD2 3.38Å; F6-F137 HydrophobicContact CZ-CD2 3.38Å; F6-F137 AromaticContact CZ-CE2 3.81Å; F6-F137 HydrophobicContact CZ-CE2 3.81Å; F6-F137 AromaticContact CZ-CG 3.87Å; F6-F137 HydrophobicContact CZ-CG 3.87Å; F6-L139 HydrophobicContact CD1-CD1 4.26Å; F6-T261 HydrophobicContact CZ-CG2 4.47Å
7I98.3Very high93.7Very high1 Ų118.4 Ų18.41%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-111.7113.1179.1-54.3156.1000107.5V5 V9 L67 V69 L123 F136 F137 V138 L139 I154 L158V5-I7 HydrophobicContact CG1-CG1 4.35Å; I7-V9 HydrophobicContact CG2-CG2 3.87Å; I7-L67 HydrophobicContact CG1-CB 4.34Å; I7-L67 HydrophobicContact CG2-CB 4.25Å; I7-V69 HydrophobicContact CG2-CG2 4.48Å; I7-L123 HydrophobicContact CD1-CD2 3.61Å; I7-L123 HydrophobicContact CG1-CD2 4.08Å; I7-F136 HydrophobicContact CD1-CB 4.33Å; I7-F136 HydrophobicContact CD1-CD1 4Å; I7-F136 HydrophobicContact CD1-CG 4.47Å; I7-F137 PolarHBondContact N-O 3.23Å; I7-V138 HydrophobicContact CD1-CG2 4.19Å; I7-L139 PolarHBondContact O-N 2.87Å; I7-I154 HydrophobicContact CD1-CG2 4.08Å; I7-I154 HydrophobicContact CG2-CD1 4.07Å; I7-I154 HydrophobicContact CG2-CG2 4.14Å; I7-L158 HydrophobicContact CD1-CD1 3.72Å; I7-L158 HydrophobicContact CD1-CD2 4.14Å; I7-L158 HydrophobicContact CD1-CG 4.41Å
8Q98.2Very high93.8Very high0 Ų020.1 Ų20.10%010%0.101CC..EExtended strand (participates in β ladder)trans-104.9113.9-172.3-52.7-176.4-100108.3N14 L67 V69 L139Q8-N14 WeakPolarHBondContact CB-OD1 3.45Å; Q8-N14 PolarHBondContact O-OD1 3.41Å; Q8-L67 PolarHBondContact N-O 3.17Å; Q8-V69 PolarHBondContact O-N 3.26Å; Q8-L139 HydrophobicContact CG-CD1 4.33Å
9V98.3Very high93.8Very high0 Ų021.8 Ų21.80%011%0.106CC..EExtended strand (participates in β ladder)trans-119.7122.8-168.8-165.80000112I7 G13 V69 V138 L139 H140 T146 V150 I154I7-V9 HydrophobicContact CG2-CG2 3.87Å; V9-G13 PolarHBondContact O-N 3.28Å; V9-V69 CarbonylContact C-O 3.59Å; V9-V69 WeakPolarHBondContact CA-O 3.24Å; V9-V69 HydrophobicContact CG1-CB 4.4Å; V9-V69 HydrophobicContact CG1-CG1 4.42Å; V9-V69 HydrophobicContact CG2-CB 4.46Å; V9-V138 HydrophobicContact CG2-CG1 4.42Å; V9-L139 PolarHBondContact N-O 3.23Å; V9-H140 HydrophobicContact CB-CB 4.08Å; V9-T146 HydrophobicContact CG1-CG2 4.26Å; V9-V150 HydrophobicContact CG1-CB 4.08Å; V9-V150 HydrophobicContact CG1-CG1 4.24Å; V9-I154 HydrophobicContact CG1-CD1 4.42Å; V9-I154 HydrophobicContact CG2-CD1 3.72Å
10G97Very high93.9Very high1 Ų120.7 Ų20.71%0.0110%0.101CC..Hα-helixtrans68.4-179.1-178.400000113.4C12 G13 N14 V69 D70G10-C12 PolarHBondContact O-N 2.75Å; G10-G13 PolarHBondContact O-N 3.45Å; G10-N14 WeakPolarHBondContact O-CB 3.32Å; G10-N14 PolarHBondContact O-N 3.15Å; G10-N14 PolarHBondContact O-ND2 2.87Å; G10-V69 PolarHBondContact N-O 3.18Å; G10-D70 VanDerWaalsContact C-OD2 3.29Å
11Q94.8Very high93.9Very high102 Ų10219.7 Ų19.748%0.47710%0.096SC..Hα-helixtrans-50.5-50.7-177.4173.7171.6-29.800113.5Q15 D70 V75Q11-Q15 VanDerWaalsContact CG-NE2 3.26Å; Q11-Q15 WeakPolarHBondContact O-CB 3.38Å; Q11-Q15 VanDerWaalsContact O-CG 3.24Å; Q11-Q15 WeakPolarHBondContact O-CG 3.46Å; Q11-Q15 PolarHBondContact O-N 3.43Å; Q11-Q15 VanDerWaalsContact O-N 3.11Å; Q11-D70 PolarHBondContact N-OD2 2.92Å; Q11-V75 HydrophobicContact CB-CG2 3.99Å; Q11-V75 HydrophobicContact CG-CG2 3.78Å
12C95.4Very high94.9Very high22 Ų2215.3 Ų15.315%0.1498%0.075CC..Hα-helixtrans-65-48.7-176.7179.70000111.9G10 N14 Q15 I16G10-C12 PolarHBondContact O-N 2.75Å; C12-N14 PolarHBondContact O-N 3.05Å; C12-Q15 PolarHBondContact O-N 3.01Å; C12-I16 WeakPolarHBondContact O-CG1 3.49Å; C12-I16 PolarHBondContact O-N 3.34Å; C12-I16 VanDerWaalsContact SG-CD1 3.57Å
13G97.3Very high95.3Very high0 Ų014.4 Ų14.40%07%0.068CC..Hα-helixtrans-60.2-46.518000000112.7V9 G10 Q15 G17 L139V9-G13 PolarHBondContact O-N 3.28Å; G10-G13 PolarHBondContact O-N 3.45Å; G13-Q15 PolarHBondContact O-N 3.17Å; G13-G17 PolarHBondContact O-N 3.37Å; G13-L139 VanDerWaalsContact CA-O 3.22Å; G13-L139 WeakPolarHBondContact CA-O 3.4Å
14N97.1Very high95.3Very high0 Ų014.2 Ų14.20%07%0.068CC..Hα-helixtrans-62.5-40.5177.7-76.3-54000112.4Q8 G10 C12 H18 V69 D70 V75 M79Q8-N14 WeakPolarHBondContact CB-OD1 3.45Å; Q8-N14 PolarHBondContact O-OD1 3.41Å; G10-N14 WeakPolarHBondContact O-CB 3.32Å; G10-N14 PolarHBondContact O-N 3.15Å; G10-N14 PolarHBondContact O-ND2 2.87Å; C12-N14 PolarHBondContact O-N 3.05Å; N14-H18 VanDerWaalsContact O-CB 3.29Å; N14-H18 WeakPolarHBondContact O-CB 3.33Å; N14-H18 PolarHBondContact O-N 3.07Å; N14-V69 PolarHBondContact ND2-O 3.39Å; N14-V69 VanDerWaalsContact ND2-O 3.15Å; N14-D70 PolarHBondContact ND2-OD2 3.49Å; N14-V75 HydrophobicContact CB-CG1 4.02Å; N14-M79 HydrophobicContact CB-SD 3.86Å
15Q95.7Very high95Very high38 Ų3814.7 Ų14.718%0.1787%0.07CC..Hα-helixtrans-70.7-42.9179.1-71.4179.222.300113.3Q11 C12 G13 G17 H18 R19 V75 N250Q11-Q15 VanDerWaalsContact CG-NE2 3.26Å; Q11-Q15 WeakPolarHBondContact O-CB 3.38Å; Q11-Q15 VanDerWaalsContact O-CG 3.24Å; Q11-Q15 WeakPolarHBondContact O-CG 3.46Å; Q11-Q15 PolarHBondContact O-N 3.43Å; Q11-Q15 VanDerWaalsContact O-N 3.11Å; C12-Q15 PolarHBondContact O-N 3.01Å; G13-Q15 PolarHBondContact O-N 3.17Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; Q15-H18 PolarHBondContact O-N 3.13Å; Q15-R19 PolarHBondContact O-N 2.97Å; Q15-R19 VanDerWaalsContact O-N 3.1Å; Q15-V75 HydrophobicContact CG-CG1 3.98Å; Q15-N250 PolarHBondContact OE1-ND2 2.9Å
16I96.2Very high94.5Very high3 Ų315.2 Ų15.22%0.0157%0.074CC..Hα-helixtrans-61.1-48.1174-69.4166.5000109.6C12 H18 R19 F20 L139 V172 N250 V253 L257C12-I16 WeakPolarHBondContact O-CG1 3.49Å; C12-I16 PolarHBondContact O-N 3.34Å; C12-I16 VanDerWaalsContact SG-CD1 3.57Å; I16-H18 PolarHBondContact O-N 3.28Å; I16-R19 PolarHBondContact O-N 2.87Å; I16-F20 WeakPolarHBondContact O-CB 3.26Å; I16-F20 PolarHBondContact O-N 2.87Å; I16-L139 HydrophobicContact CG2-CD1 4.25Å; I16-V172 HydrophobicContact CD1-CG2 3.66Å; I16-N250 HydrophobicContact CG1-CB 4.38Å; I16-N250 WeakPolarHBondContact CG1-OD1 3.26Å; I16-V253 HydrophobicContact CD1-CG1 4.17Å; I16-V253 HydrophobicContact CG1-CG1 4.43Å; I16-V253 HydrophobicContact CG2-CB 4.1Å; I16-V253 HydrophobicContact CG2-CG1 3.52Å; I16-L257 HydrophobicContact CG2-CD1 4.15Å
17G96.3Very high94Very high0 Ų015.3 Ų15.30%08%0.075CC..Hα-helixtrans-60.3-42178.400000113G13 Q15 R19 F20 W21G13-G17 PolarHBondContact O-N 3.37Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; G17-R19 VanDerWaalsContact C-N 3.35Å; G17-R19 PolarHBondContact O-N 2.74Å; G17-F20 WeakPolarHBondContact O-CB 3.33Å; G17-F20 PolarHBondContact O-N 2.67Å; G17-W21 PolarHBondContact O-N 3.08Å
18H94.9Very high93.3Very high49 Ų4915.3 Ų15.323%0.2277%0.074CC..Hα-helixtrans-57.6-47.5173.8-171.263.9000112.1N14 Q15 I16 F20 W21 D22 M79 Y88N14-H18 VanDerWaalsContact O-CB 3.29Å; N14-H18 WeakPolarHBondContact O-CB 3.33Å; N14-H18 PolarHBondContact O-N 3.07Å; Q15-H18 PolarHBondContact O-N 3.13Å; I16-H18 PolarHBondContact O-N 3.28Å; H18-F20 VanDerWaalsContact C-N 3.34Å; H18-W21 PolarHBondContact O-N 3.18Å; H18-D22 PolarHBondContact O-N 3.38Å; H18-M79 HydrophobicContact CB-CE 3.76Å; H18-M79 HydrophobicContact CB-CG 4.32Å; H18-M79 HydrophobicContact CB-SD 4.14Å; H18-Y88 AromaticContact ND1-CZ 3.92Å; H18-Y88 PolarHBondContact ND1-OH 2.85Å
19R94.1Very high92.5Very high52 Ų5220.1 Ų20.120%0.19610%0.097CC..Hα-helixtrans-66.8-37.6179.5-175.654.9179171.8-1.3112.1Q15 I16 G17 D22 L23 N250 N251 A254Q15-R19 PolarHBondContact O-N 2.97Å; Q15-R19 VanDerWaalsContact O-N 3.1Å; I16-R19 PolarHBondContact O-N 2.87Å; G17-R19 VanDerWaalsContact C-N 3.35Å; G17-R19 PolarHBondContact O-N 2.74Å; R19-D22 IonicContact CZ-OD2 3.15Å; R19-D22 IonicContact NH1-OD2 2.85Å; R19-D22 PolarHBondContact NH1-OD2 3.08Å; R19-D22 PolarHBondContact O-N 3.42Å; R19-L23 HydrophobicContact CG-CD1 4.32Å; R19-L23 WeakPolarHBondContact O-CG 3.42Å; R19-L23 PolarHBondContact O-N 3.13Å; R19-L23 VanDerWaalsContact O-N 3.11Å; R19-N250 HydrophobicContact CB-CB 4.43Å; R19-N251 VanDerWaalsContact CZ-OD1 3.3Å; R19-N251 PolarHBondContact NE-OD1 2.8Å; R19-N251 PolarHBondContact NH2-OD1 2.9Å; R19-A254 HydrophobicContact CB-CB 4.14Å; R19-A254 HydrophobicContact CG-CB 3.82Å
20F95Very high91.7Very high0 Ų024.3 Ų24.30%012%0.118CC..Hα-helixtrans-58.2-48.3173.8167.1-101.2000111.9F6 I16 G17 H18 D22 L23 A24 F44 A254 L257 L258F6-F20 HydrophobicContact CD1-CD1 4.49Å; F6-F20 HydrophobicContact CD1-CE1 4.12Å; F6-F20 HydrophobicContact CD2-CE1 4.3Å; F6-F20 HydrophobicContact CE1-CD1 4.31Å; F6-F20 AromaticContact CE1-CE1 3.71Å; F6-F20 HydrophobicContact CE1-CE1 3.71Å; F6-F20 HydrophobicContact CE1-CE2 4.39Å; F6-F20 AromaticContact CE1-CZ 3.73Å; F6-F20 HydrophobicContact CE1-CZ 3.73Å; F6-F20 AromaticContact CE2-CE1 3.91Å; F6-F20 HydrophobicContact CE2-CE1 3.91Å; F6-F20 AromaticContact CE2-CZ 3.96Å; F6-F20 HydrophobicContact CE2-CZ 3.96Å; F6-F20 HydrophobicContact CG-CE1 4.4Å; F6-F20 AromaticContact CZ-CE1 3.61Å; F6-F20 HydrophobicContact CZ-CE1 3.61Å; F6-F20 HydrophobicContact CZ-CE2 4.27Å; F6-F20 AromaticContact CZ-CZ 3.37Å; F6-F20 HydrophobicContact CZ-CZ 3.37Å; I16-F20 WeakPolarHBondContact O-CB 3.26Å; I16-F20 PolarHBondContact O-N 2.87Å; G17-F20 WeakPolarHBondContact O-CB 3.33Å; G17-F20 PolarHBondContact O-N 2.67Å; H18-F20 VanDerWaalsContact C-N 3.34Å; F20-D22 PolarHBondContact O-N 3.38Å; F20-L23 PolarHBondContact O-N 2.9Å; F20-A24 VanDerWaalsContact O-CB 3.3Å; F20-A24 WeakPolarHBondContact O-CB 3.42Å; F20-A24 PolarHBondContact O-N 2.89Å; F20-F44 HydrophobicContact CE1-CD2 4.47Å; F20-F44 HydrophobicContact CE1-CE2 4.12Å; F20-F44 HydrophobicContact CE2-CE2 4.1Å; F20-F44 HydrophobicContact CZ-CD2 4.05Å; F20-F44 AromaticContact CZ-CE2 3.31Å; F20-F44 HydrophobicContact CZ-CE2 3.31Å; F20-F44 AromaticContact CZ-CZ 3.72Å; F20-F44 HydrophobicContact CZ-CZ 3.72Å; F20-A254 HydrophobicContact CB-CB 4.12Å; F20-L257 HydrophobicContact CB-CD1 4.47Å; F20-L257 HydrophobicContact CD2-CB 3.63Å; F20-L257 HydrophobicContact CD2-CD1 4.24Å; F20-L257 HydrophobicContact CE2-CB 3.75Å; F20-L257 HydrophobicContact CG-CD1 4.42Å; F20-L258 HydrophobicContact CD2-CD2 3.97Å; F20-L258 HydrophobicContact CD2-CG 4.06Å; F20-L258 HydrophobicContact CE2-CD2 3.67Å; F20-L258 HydrophobicContact CE2-CG 4.11Å
21W93.9Very high90.8Very high0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-64.1-39.1179.6-67.4122.6000113.2F6 G17 H18 A24 L25 F44 F45 A64 A66 L84 I87 Y88F6-W21 HydrophobicContact CB-CZ2 3.95Å; F6-W21 AromaticContact CD2-CH2 3.86Å; F6-W21 HydrophobicContact CD2-CH2 3.86Å; F6-W21 AromaticContact CD2-CZ2 3.97Å; F6-W21 HydrophobicContact CD2-CZ2 3.97Å; F6-W21 HydrophobicContact CE2-CH2 4.37Å; F6-W21 HydrophobicContact CG-CH2 4.39Å; F6-W21 HydrophobicContact CG-CZ2 4.04Å; G17-W21 PolarHBondContact O-N 3.08Å; H18-W21 PolarHBondContact O-N 3.18Å; W21-A24 PolarHBondContact O-N 3.39Å; W21-L25 WeakPolarHBondContact O-CG 3.27Å; W21-L25 PolarHBondContact O-N 3.08Å; W21-F44 HydrophobicContact CZ3-CB 4.01Å; W21-F44 HydrophobicContact CZ3-CD2 4.27Å; W21-F44 HydrophobicContact CZ3-CG 4.26Å; W21-F45 AromaticContact CE3-CE1 3.8Å; W21-F45 HydrophobicContact CE3-CE1 3.8Å; W21-F45 AromaticContact CE3-CZ 3.79Å; W21-F45 HydrophobicContact CE3-CZ 3.79Å; W21-F45 HydrophobicContact CZ3-CE1 4.05Å; W21-F45 HydrophobicContact CZ3-CZ 4.03Å; W21-A64 HydrophobicContact CD2-CB 3.79Å; W21-A64 HydrophobicContact CE3-CB 3.88Å; W21-A64 HydrophobicContact CG-CB 4.5Å; W21-A64 HydrophobicContact CH2-CB 3.9Å; W21-A64 HydrophobicContact CZ2-CB 3.79Å; W21-A64 HydrophobicContact CZ3-CB 3.93Å; W21-A66 HydrophobicContact CZ2-CB 3.73Å; W21-L84 HydrophobicContact CB-CD1 4.39Å; W21-I87 HydrophobicContact CB-CD1 3.55Å; W21-I87 HydrophobicContact CG-CD1 3.9Å; W21-Y88 AromaticContact CD1-CE1 3.76Å
22D91Very high89.8Confident13 Ų1323.3 Ų23.37%0.0712%0.122CC..Hα-helixtrans-57.5-51.2174-174.520.7000111.2H18 R19 F20 L25 A26 L84 S233H18-D22 PolarHBondContact O-N 3.38Å; R19-D22 IonicContact CZ-OD2 3.15Å; R19-D22 IonicContact NH1-OD2 2.85Å; R19-D22 PolarHBondContact NH1-OD2 3.08Å; R19-D22 PolarHBondContact O-N 3.42Å; F20-D22 PolarHBondContact O-N 3.38Å; D22-L25 PolarHBondContact O-N 3.4Å; D22-A26 PolarHBondContact O-N 2.69Å; D22-A26 VanDerWaalsContact O-N 3.12Å; D22-L84 HydrophobicContact CB-CD1 3.79Å; D22-S233 PolarHBondContact OD1-OG 3.1Å
23L90.4Very high88.3Confident18 Ų1830.8 Ų30.89%0.09415%0.152CC..Hα-helixtrans-69.5-36.4-178.8-65.9178.4000112.4R19 F20 A26 E27 A254 L258R19-L23 HydrophobicContact CG-CD1 4.32Å; R19-L23 WeakPolarHBondContact O-CG 3.42Å; R19-L23 PolarHBondContact O-N 3.13Å; R19-L23 VanDerWaalsContact O-N 3.11Å; F20-L23 PolarHBondContact O-N 2.9Å; L23-A26 PolarHBondContact O-N 3.24Å; L23-E27 VanDerWaalsContact O-CB 3.3Å; L23-E27 WeakPolarHBondContact O-CB 3.35Å; L23-E27 PolarHBondContact O-N 3.39Å; L23-A254 HydrophobicContact CD1-CB 3.84Å; L23-L258 HydrophobicContact CB-CD1 3.42Å; L23-L258 VanDerWaalsContact CB-CD1 3.42Å; L23-L258 HydrophobicContact CD1-CD1 4.26Å; L23-L258 HydrophobicContact CG-CD1 4.49Å
24A90.4Very high86.2Confident0 Ų033.6 Ų33.60%018%0.181CC..Hα-helixtrans-60.2-47175.800000111.1F20 W21 E27 H28 F45 L258F20-A24 VanDerWaalsContact O-CB 3.3Å; F20-A24 WeakPolarHBondContact O-CB 3.42Å; F20-A24 PolarHBondContact O-N 2.89Å; W21-A24 PolarHBondContact O-N 3.39Å; A24-E27 PolarHBondContact O-N 2.99Å; A24-H28 PolarHBondContact O-CD2 3.24Å; A24-H28 PolarHBondContact O-N 2.93Å; A24-F45 HydrophobicContact CB-CZ 4.36Å; A24-L258 HydrophobicContact CB-CD2 3.78Å
25L87.4Confident84Confident10 Ų1038.7 Ų38.75%0.05222%0.215CC..Hα-helixtrans-61.5-46.4177.2-72.3169.2000111.7W21 D22 E27 H28 E29 F45 L84 I87 I235W21-L25 WeakPolarHBondContact O-CG 3.27Å; W21-L25 PolarHBondContact O-N 3.08Å; D22-L25 PolarHBondContact O-N 3.4Å; L25-E27 VanDerWaalsContact C-N 3.3Å; L25-E27 PolarHBondContact O-N 2.61Å; L25-H28 PolarHBondContact O-N 2.8Å; L25-E29 WeakPolarHBondContact O-CB 3.38Å; L25-E29 PolarHBondContact O-N 3.45Å; L25-F45 HydrophobicContact CD2-CD1 4.47Å; L25-F45 HydrophobicContact CD2-CE1 3.72Å; L25-F45 HydrophobicContact CD2-CE2 4.16Å; L25-F45 HydrophobicContact CD2-CZ 3.53Å; L25-F45 HydrophobicContact CG-CE1 4.16Å; L25-F45 HydrophobicContact CG-CZ 3.83Å; L25-L84 HydrophobicContact CD1-CD2 3.69Å; L25-I87 HydrophobicContact CD1-CG2 4.23Å; L25-I235 HydrophobicContact CB-CD1 3.73Å; L25-I235 HydrophobicContact CD1-CD1 4Å; L25-I235 HydrophobicContact CG-CD1 4.46Å
26A85.6Confident81.8Confident10 Ų1044 Ų448%0.08324%0.244CC..Hα-helixtrans-60.2-41.3177.500000111.9D22 L23 E29 I30D22-A26 PolarHBondContact O-N 2.69Å; D22-A26 VanDerWaalsContact O-N 3.12Å; L23-A26 PolarHBondContact O-N 3.24Å; A26-E29 PolarHBondContact O-N 2.83Å; A26-I30 WeakPolarHBondContact O-CD1 3.33Å; A26-I30 VanDerWaalsContact O-CG1 3.26Å; A26-I30 WeakPolarHBondContact O-CG1 3.35Å; A26-I30 PolarHBondContact O-N 2.7Å
27E86.7Confident79.7Confident3 Ų348 Ų481%0.01426%0.263CS..Hα-helixtrans-66-44.4178.9-170.1170.6-126.500112.2L23 A24 L25 I30 A31 R265 F266 R341 V380L23-E27 VanDerWaalsContact O-CB 3.3Å; L23-E27 WeakPolarHBondContact O-CB 3.35Å; L23-E27 PolarHBondContact O-N 3.39Å; A24-E27 PolarHBondContact O-N 2.99Å; L25-E27 VanDerWaalsContact C-N 3.3Å; L25-E27 PolarHBondContact O-N 2.61Å; E27-I30 PolarHBondContact O-N 3.32Å; E27-A31 WeakPolarHBondContact O-CB 3.45Å; E27-A31 PolarHBondContact O-N 2.95Å; E27-R265 IonicContact OE2-CZ 2.92Å; E27-R265 IonicContact OE2-NH1 4Å; E27-R265 PolarHBondContact OE2-NH1 3.27Å; E27-R265 IonicContact OE2-NH2 2.74Å; E27-R265 PolarHBondContact OE2-NH2 3.15Å; E27-F266 HydrophobicContact CG-CE2 3.89Å; E27-F266 HydrophobicContact CG-CZ 3.91Å; E27-R341 IonicContact OE1-CZ 3.09Å; E27-R341 IonicContact OE1-NH1 3.17Å; E27-R341 PolarHBondContact OE1-NH1 2.74Å; E27-R341 IonicContact OE1-NH2 3.32Å; E27-R341 PolarHBondContact OE1-NH2 2.84Å; E27-R341 IonicContact OE2-NH1 3.72Å; E27-R341 IonicContact OE2-NH2 3.31Å; E27-V380 HydrophobicContact CB-CG2 3.92Å; E27-V380 HydrophobicContact CG-CG2 4.21Å
28H83.6Confident77.8Confident0 Ų050.6 Ų50.60%028%0.277CS..Hα-helixtrans-66.1-35.9175.6-83.8-78.5000112.8A24 L25 N32 F41 F266A24-H28 PolarHBondContact O-CD2 3.24Å; A24-H28 PolarHBondContact O-N 2.93Å; L25-H28 PolarHBondContact O-N 2.8Å; H28-N32 VanDerWaalsContact O-CB 3.27Å; H28-N32 WeakPolarHBondContact O-CB 3.34Å; H28-N32 PolarHBondContact O-N 3.19Å; H28-N32 PolarHBondContact O-ND2 3.15Å; H28-N32 VanDerWaalsContact O-ND2 3.15Å; H28-F41 HydrophobicContact CB-CD1 4.19Å; H28-F41 HydrophobicContact CB-CE1 3.39Å; H28-F41 HydrophobicContact CB-CE2 4.35Å; H28-F41 HydrophobicContact CB-CZ 3.51Å; H28-F41 AromaticContact CG-CE1 3.74Å; H28-F266 AromaticContact ND1-CE1 3.94Å
29E81Confident76.3Confident102 Ų10253.3 Ų53.348%0.47729%0.293SS..Hα-helixtrans-64.4-41.7175.3-175.3179.1-174.700111.5L25 A26L25-E29 WeakPolarHBondContact O-CB 3.38Å; L25-E29 PolarHBondContact O-N 3.45Å; A26-E29 PolarHBondContact O-N 2.83Å
30I81.5Confident75Confident87 Ų8750.8 Ų50.845%0.44628%0.283SS..Hα-helixtrans-70.4-41.5178.5-68.6165.8000111.3A26 E27 K33 V380A26-I30 WeakPolarHBondContact O-CD1 3.33Å; A26-I30 VanDerWaalsContact O-CG1 3.26Å; A26-I30 WeakPolarHBondContact O-CG1 3.35Å; A26-I30 PolarHBondContact O-N 2.7Å; E27-I30 PolarHBondContact O-N 3.32Å; I30-K33 WeakPolarHBondContact O-CG 3.46Å; I30-V380 HydrophobicContact CD1-CB 4.45Å; I30-V380 HydrophobicContact CD1-CG1 3.76Å; I30-V380 HydrophobicContact CD1-CG2 3.96Å
31A78.3Confident74Confident42 Ų4251.9 Ų51.935%0.34729%0.288SS..Hα-helixtrans-67.1-38.1179.400000112E27 F266 V377E27-A31 WeakPolarHBondContact O-CB 3.45Å; E27-A31 PolarHBondContact O-N 2.95Å; A31-F266 HydrophobicContact CB-CE1 3.79Å; A31-F266 HydrophobicContact CB-CZ 4.17Å; A31-V377 HydrophobicContact CB-CG1 4.17Å
32N73Confident73.3Confident41 Ų4153.4 Ų53.422%0.21930%0.299CS..THydrogen-bonded Turntrans-102.838.5-172.5-65.2-53.5000114.2H28 G34 F41H28-N32 VanDerWaalsContact O-CB 3.27Å; H28-N32 WeakPolarHBondContact O-CB 3.34Å; H28-N32 PolarHBondContact O-N 3.19Å; H28-N32 PolarHBondContact O-ND2 3.15Å; H28-N32 VanDerWaalsContact O-ND2 3.15Å; N32-G34 PolarHBondContact O-N 2.99Å; N32-F41 HydrophobicContact CB-CE2 4.25Å; N32-F41 WeakPolarHBondContact ND2-CE2 3.33Å
33K65.3Low72.7Confident178 Ų17852.8 Ų52.877%0.77430%0.296SS*.THydrogen-bonded Turntrans-59.981.9173-73.2179.9-176.5-179.10111.1I30I30-K33 WeakPolarHBondContact O-CG 3.46Å
34G53.5Low72.4Confident59 Ų5952 Ų5261%0.60829%0.291SS*.THydrogen-bonded Turntrans164.63.9-173.400000118.1N32 L36N32-G34 PolarHBondContact O-N 2.99Å; G34-L36 VanDerWaalsContact C-N 3.26Å; G34-L36 PolarHBondContact O-N 2.84Å; G34-L36 VanDerWaalsContact O-N 3.1Å
35C49.8Very low72Confident107 Ų10752.2 Ų52.272%0.72329%0.292SS*.  trans6310170.3-89.70000118.3
36L50.2Low71.6Confident149 Ų14952.9 Ų52.978%0.7830%0.295SS*.  trans-92.9124.6172.6-76.9148.2000109.3G34 D38G34-L36 VanDerWaalsContact C-N 3.26Å; G34-L36 PolarHBondContact O-N 2.84Å; G34-L36 VanDerWaalsContact O-N 3.1Å; L36-D38 PolarHBondContact O-N 3.27Å
37H51.3Low70.7Confident89 Ų8956.2 Ų56.241%0.41231%0.312SS..  trans-52.699.4174.1-175.1-62.6000109N47H37-N47 PolarHBondContact NE2-ND2 2.9Å
38D57.6Low69.4Low54 Ų5457.3 Ų57.329%0.28932%0.324SS..  trans-78135.3171.6-175.58.9000108.3L36 S40 F41L36-D38 PolarHBondContact O-N 3.27Å; D38-S40 VanDerWaalsContact CB-OG 3.3Å; D38-S40 WeakPolarHBondContact CB-OG 3.43Å; D38-S40 PolarHBondContact O-N 3.13Å; D38-S40 PolarHBondContact OD1-N 3.01Å; D38-S40 WeakPolarHBondContact OD2-CB 3.48Å; D38-S40 PolarHBondContact OD2-OG 3.25Å; D38-F41 HydrophobicContact CB-CD2 4.41Å; D38-F41 PolarHBondContact O-N 2.98Å; D38-F41 VanDerWaalsContact O-N 3.14Å
39N61.9Low67.7Low105 Ų10564 Ų6456%0.56136%0.364SS*.G310 helixtrans-55.9-20.9175-72.5-29.2000111.2M1 F41 S42M1-N39 HydrophobicContact CE-CB 3.75Å; M1-N39 HydrophobicContact SD-CB 4.25Å; M1-N39 VanDerWaalsContact SD-O 3.39Å; N39-F41 PolarHBondContact O-N 3.43Å; N39-S42 WeakPolarHBondContact O-CB 3.24Å; N39-S42 PolarHBondContact O-N 3.23Å; N39-S42 PolarHBondContact O-OG 3.1Å
40S66.8Low66Low0 Ų066.3 Ų66.30%038%0.38CS..G310 helixtrans-52.2-35.2173.362.90000115.3M1 D38 S42 R265M1-S40 VanDerWaalsContact CE-N 3.33Å; M1-S40 WeakPolarHBondContact SD-CA 3.18Å; M1-S40 PolarHBondContact SD-N 3.18Å; M1-S40 VanDerWaalsContact SD-N 3.37Å; D38-S40 VanDerWaalsContact CB-OG 3.3Å; D38-S40 WeakPolarHBondContact CB-OG 3.43Å; D38-S40 PolarHBondContact O-N 3.13Å; D38-S40 PolarHBondContact OD1-N 3.01Å; D38-S40 WeakPolarHBondContact OD2-CB 3.48Å; D38-S40 PolarHBondContact OD2-OG 3.25Å; S40-S42 PolarHBondContact O-N 2.91Å; S40-R265 WeakPolarHBondContact CB-O 3.38Å
41F75.7Confident64.1Low22 Ų2265.9 Ų65.910%0.09638%0.379CS..G310 helixtrans-65.2-31.4179.4-80.5-84.6000112.2H28 N32 D38 N39 S43 F44 F45H28-F41 HydrophobicContact CB-CD1 4.19Å; H28-F41 HydrophobicContact CB-CE1 3.39Å; H28-F41 HydrophobicContact CB-CE2 4.35Å; H28-F41 HydrophobicContact CB-CZ 3.51Å; H28-F41 AromaticContact CG-CE1 3.74Å; N32-F41 HydrophobicContact CB-CE2 4.25Å; N32-F41 WeakPolarHBondContact ND2-CE2 3.33Å; D38-F41 HydrophobicContact CB-CD2 4.41Å; D38-F41 PolarHBondContact O-N 2.98Å; D38-F41 VanDerWaalsContact O-N 3.14Å; N39-F41 PolarHBondContact O-N 3.43Å; F41-S43 PolarHBondContact O-N 2.69Å; F41-F44 PolarHBondContact O-N 3.03Å; F41-F45 HydrophobicContact CD1-CD2 4.16Å; F41-F45 PolarHBondContact O-N 3.05Å
42S78Confident62.3Low33 Ų3374 Ų7423%0.23141%0.406CS..G310 helixtrans-67.4-22.6-173.470.30000114.1Q3 N39 S40 F44 F45 R65Q3-S42 WeakPolarHBondContact CG-O 3.17Å; N39-S42 WeakPolarHBondContact O-CB 3.24Å; N39-S42 PolarHBondContact O-N 3.23Å; N39-S42 PolarHBondContact O-OG 3.1Å; S40-S42 PolarHBondContact O-N 2.91Å; S42-F44 PolarHBondContact O-N 3.16Å; S42-F45 WeakPolarHBondContact CA-O 3.32Å; S42-R65 PolarHBondContact O-NE 2.93Å
43S79.2Confident60.7Low0 Ų075.8 Ų75.80%042%0.422CS..G310 helixtrans-60.8-34.7177.3-700000112.2T2 Q3 S4 F41 S264T2-S43 WeakPolarHBondContact O-CA 3.48Å; T2-S43 WeakPolarHBondContact O-CB 3.35Å; T2-S43 PolarHBondContact O-OG 3.42Å; Q3-S43 WeakPolarHBondContact CA-O 3.39Å; S4-S43 PolarHBondContact N-O 2.92Å; F41-S43 PolarHBondContact O-N 2.69Å; S43-S264 PolarHBondContact OG-O 2.84Å
44F83.1Confident59.5Low0 Ų071.2 Ų71.20%043%0.425CS..THydrogen-bonded Turntrans-121.1-30.4-170-83.36.5000114F6 F20 W21 F41 S42 R65 T261 R265F6-F44 HydrophobicContact CE2-CD1 4.12Å; F6-F44 AromaticContact CE2-CE1 3.69Å; F6-F44 HydrophobicContact CE2-CE1 3.69Å; F6-F44 AromaticContact CE2-CZ 3.95Å; F6-F44 HydrophobicContact CE2-CZ 3.95Å; F6-F44 HydrophobicContact CZ-CE1 4.16Å; F6-F44 AromaticContact CZ-CZ 4Å; F6-F44 HydrophobicContact CZ-CZ 4Å; F20-F44 HydrophobicContact CE1-CD2 4.47Å; F20-F44 HydrophobicContact CE1-CE2 4.12Å; F20-F44 HydrophobicContact CE2-CE2 4.1Å; F20-F44 HydrophobicContact CZ-CD2 4.05Å; F20-F44 AromaticContact CZ-CE2 3.31Å; F20-F44 HydrophobicContact CZ-CE2 3.31Å; F20-F44 AromaticContact CZ-CZ 3.72Å; F20-F44 HydrophobicContact CZ-CZ 3.72Å; W21-F44 HydrophobicContact CZ3-CB 4.01Å; W21-F44 HydrophobicContact CZ3-CD2 4.27Å; W21-F44 HydrophobicContact CZ3-CG 4.26Å; F41-F44 PolarHBondContact O-N 3.03Å; S42-F44 PolarHBondContact O-N 3.16Å; F44-R65 PolarHBondContact O-N 3.04Å; F44-T261 HydrophobicContact CE1-CG2 4.44Å; F44-T261 VanDerWaalsContact CZ-CB 3.5Å; F44-T261 HydrophobicContact CZ-CG2 3.82Å; F44-T261 WeakPolarHBondContact CZ-OG1 3.26Å; F44-R265 HydrophobicContact CD2-CG 4.47Å; F44-R265 HydrophobicContact CE2-CG 4.26Å; F44-R265 HydrophobicContact CZ-CG 4.37Å
45F83.3Confident58.9Low6 Ų674.7 Ų74.73%0.02643%0.429CS..EExtended strand (participates in β ladder)trans-119145.9-175.7-57.1-81.7000111W21 A24 L25 F41 S42 L62 K63 A64W21-F45 AromaticContact CE3-CE1 3.8Å; W21-F45 HydrophobicContact CE3-CE1 3.8Å; W21-F45 AromaticContact CE3-CZ 3.79Å; W21-F45 HydrophobicContact CE3-CZ 3.79Å; W21-F45 HydrophobicContact CZ3-CE1 4.05Å; W21-F45 HydrophobicContact CZ3-CZ 4.03Å; A24-F45 HydrophobicContact CB-CZ 4.36Å; L25-F45 HydrophobicContact CD2-CD1 4.47Å; L25-F45 HydrophobicContact CD2-CE1 3.72Å; L25-F45 HydrophobicContact CD2-CE2 4.16Å; L25-F45 HydrophobicContact CD2-CZ 3.53Å; L25-F45 HydrophobicContact CG-CE1 4.16Å; L25-F45 HydrophobicContact CG-CZ 3.83Å; F41-F45 HydrophobicContact CD1-CD2 4.16Å; F41-F45 PolarHBondContact O-N 3.05Å; S42-F45 WeakPolarHBondContact CA-O 3.32Å; F45-L62 HydrophobicContact CB-CD2 4.13Å; F45-K63 CarbonylContact C-O 3.55Å; F45-K63 VanDerWaalsContact CA-O 3.27Å; F45-K63 WeakPolarHBondContact CA-O 3.43Å; F45-A64 HydrophobicContact CD1-CB 4.33Å; F45-A64 HydrophobicContact CE1-CB 4.28Å
46M77.9Confident58.7Low24 Ų2472.7 Ų72.712%0.11841%0.41CS..EExtended strand (participates in β ladder)trans-107.8140.8172.8-60.9177.6-69.600108.7G48 K63 R65 L129M46-G48 PolarHBondContact O-N 2.99Å; M46-K63 HydrophobicContact CB-CB 4.43Å; M46-K63 HydrophobicContact CE-CB 4.24Å; M46-K63 PolarHBondContact N-O 3.41Å; M46-K63 PolarHBondContact O-N 2.92Å; M46-R65 HydrophobicContact CE-CG 4.05Å; M46-R65 HydrophobicContact CG-CG 3.88Å; M46-R65 VanDerWaalsContact CG-CZ 3.45Å; M46-R65 HydrophobicContact SD-CG 4.02Å; M46-R65 PolarHBondContact SD-NH1 2.86Å; M46-R65 VanDerWaalsContact SD-NH1 3.39Å; M46-L129 HydrophobicContact CE-CD1 3.99Å; M46-L129 HydrophobicContact SD-CB 3.64Å; M46-L129 HydrophobicContact SD-CD1 3.53Å; M46-L129 VanDerWaalsContact SD-CD1 3.53Å; M46-L129 HydrophobicContact SD-CG 4.19Å
47N66.7Low58.4Low80 Ų8066.3 Ų66.343%0.42838%0.378SS..EExtended strand (participates in β ladder)trans-73.1116.9165.9-76.8-31.5000108H37H37-N47 PolarHBondContact NE2-ND2 2.9Å
48G59.4Low58.4Low25 Ų2571 Ų7126%0.25840%0.397SS..  trans-55.7142.5170.500000110.1M46 N50 G61M46-G48 PolarHBondContact O-N 2.99Å; G48-N50 PolarHBondContact O-N 3.18Å; G48-G61 WeakPolarHBondContact CA-O 3.45Å; G48-G61 PolarHBondContact N-O 3.41Å
49T48.9Very low58.4Low140 Ų14071.2 Ų71.286%0.85940%0.398SS*.THydrogen-bonded Turntrans-58.53.2-166.744.10000117
50N45.3Very low58Low151 Ų15170.2 Ų70.281%0.80740%0.399SS*.THydrogen-bonded Turntrans-108.2-1.1-174.5-79.8-15.1000116.5G48G48-N50 PolarHBondContact O-N 3.18Å
51N41.9Very low58Low78 Ų7871 Ų7142%0.41741%0.407SS..  trans-115.690.1176.8-91.73000112.5S53N51-S53 PolarHBondContact O-N 3.25Å
52K40.4Very low58.1Low213 Ų21370.5 Ų70.593%0.92641%0.405SS*.  trans-78.71164.2-70.6-174.1177.91800113.3
53S37.7Very low58.6Low79 Ų7971.3 Ų71.355%0.55241%0.405SS*.SBendtrans-92.6117.4175.5-49.30000107.1N51 I55N51-S53 PolarHBondContact O-N 3.25Å; S53-I55 PolarHBondContact O-N 2.65Å
54G40.3Very low59.2Low81 Ų8171.4 Ų71.484%0.83541%0.405SS*.SBendtrans-65.338-178.400000115.6
55I41Very low59.6Low133 Ų13371.9 Ų71.968%0.68241%0.407SS*.SBendtrans-117.2125.5177.2-58.3173.1000105.8S53S53-I55 PolarHBondContact O-N 2.65Å
56L46.6Very low60.2Low64 Ų6471.7 Ų71.734%0.33541%0.406SS..  trans-39.7125.9177.3-86.4156.4000110K58L56-K58 PolarHBondContact O-N 2.99Å
57P43.8Very low61.1Low16 Ų1670.6 Ų70.610%0.10440%0.401CS..  trans-57.5135.1164.5-3.615.8000106.4I59 G61 L62P57-I59 PolarHBondContact O-N 2.95Å; P57-G61 VanDerWaalsContact CB-CA 3.44Å; P57-L62 HydrophobicContact CG-CG 4.46Å
58K51.4Low62.6Low187 Ų18766.9 Ų66.981%0.81338%0.381SS*.  trans-43.2137.1145.7-73.5178.8175.7177.90106L56 S60 G61L56-K58 PolarHBondContact O-N 2.99Å; K58-S60 VanDerWaalsContact O-CA 3.3Å; K58-S60 WeakPolarHBondContact O-CA 3.1Å; K58-S60 WeakPolarHBondContact O-CB 3.27Å; K58-S60 PolarHBondContact O-N 3.26Å; K58-S60 PolarHBondContact O-OG 3.47Å; K58-G61 PolarHBondContact O-N 3.17Å
59I56.5Low64.4Low59 Ų5965.7 Ų65.730%0.30337%0.369SS..G310 helixtrans-26.4-33.3-171.3-63.9162000116.2P57 G61 L62 I87 I235P57-I59 PolarHBondContact O-N 2.95Å; I59-G61 PolarHBondContact O-N 2.77Å; I59-L62 PolarHBondContact O-N 3.08Å; I59-I87 HydrophobicContact CG2-CG2 4.19Å; I59-I235 HydrophobicContact CD1-CB 4.45Å; I59-I235 HydrophobicContact CD1-CD1 3.78Å; I59-I235 HydrophobicContact CD1-CG1 3.81Å; I59-I235 HydrophobicContact CD1-CG2 3.87Å
60S54.4Low66.7Low84 Ų8459.2 Ų59.259%0.58733%0.329SS*.G310 helixtrans-37.5-25.6166.456.30000119.2K58K58-S60 VanDerWaalsContact O-CA 3.3Å; K58-S60 WeakPolarHBondContact O-CA 3.1Å; K58-S60 WeakPolarHBondContact O-CB 3.27Å; K58-S60 PolarHBondContact O-N 3.26Å; K58-S60 PolarHBondContact O-OG 3.47Å
61G66.2Low69.1Low16 Ų1652.1 Ų52.117%0.16529%0.291CS..G310 helixtrans-108.5-2.3-178.500000115.8G48 P57 K58 I59G48-G61 WeakPolarHBondContact CA-O 3.45Å; G48-G61 PolarHBondContact N-O 3.41Å; P57-G61 VanDerWaalsContact CB-CA 3.44Å; K58-G61 PolarHBondContact O-N 3.17Å; I59-G61 PolarHBondContact O-N 2.77Å
62L78.5Confident71.5Confident11 Ų1152.8 Ų52.86%0.05829%0.292CS..EExtended strand (participates in β ladder)trans-92.8137.4178.9-70.8164.8000109.7F45 P57 I59 I87F45-L62 HydrophobicContact CB-CD2 4.13Å; P57-L62 HydrophobicContact CG-CG 4.46Å; I59-L62 PolarHBondContact O-N 3.08Å; L62-I87 WeakPolarHBondContact O-CA 3.41Å
63K87.6Confident74Confident51 Ų5146.5 Ų46.522%0.22227%0.266CS..EExtended strand (participates in β ladder)trans-118.9127.7172.1-66.8-59.6-169.3-176.90110.5F45 M46 N86 I87 Y88 D89F45-K63 CarbonylContact C-O 3.55Å; F45-K63 VanDerWaalsContact CA-O 3.27Å; F45-K63 WeakPolarHBondContact CA-O 3.43Å; M46-K63 HydrophobicContact CB-CB 4.43Å; M46-K63 HydrophobicContact CE-CB 4.24Å; M46-K63 PolarHBondContact N-O 3.41Å; M46-K63 PolarHBondContact O-N 2.92Å; K63-N86 WeakPolarHBondContact CD-O 3.33Å; K63-N86 PolarHBondContact NZ-O 3.02Å; K63-I87 CarbonylContact C-O 3.37Å; K63-I87 VanDerWaalsContact CA-O 3.28Å; K63-I87 WeakPolarHBondContact CA-O 3.17Å; K63-Y88 PolarHBondContact NZ-O 3.18Å; K63-D89 HydrophobicContact CD-CB 4.19Å
64A91.4Very high76.5Confident1 Ų145.3 Ų45.31%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-71.5142.217300000109.9W21 F45 A66 I87W21-A64 HydrophobicContact CD2-CB 3.79Å; W21-A64 HydrophobicContact CE3-CB 3.88Å; W21-A64 HydrophobicContact CG-CB 4.5Å; W21-A64 HydrophobicContact CH2-CB 3.9Å; W21-A64 HydrophobicContact CZ2-CB 3.79Å; W21-A64 HydrophobicContact CZ3-CB 3.93Å; F45-A64 HydrophobicContact CD1-CB 4.33Å; F45-A64 HydrophobicContact CE1-CB 4.28Å; A64-A66 HydrophobicContact CB-CB 4.16Å; A64-A66 PolarHBondContact O-N 3.32Å; A64-I87 HydrophobicContact CB-CB 4.38Å; A64-I87 HydrophobicContact CB-CD1 4.34Å; A64-I87 HydrophobicContact CB-CG1 4.15Å; A64-I87 PolarHBondContact N-O 2.88Å
65R93.1Very high78.9Confident11 Ų1142.3 Ų42.34%0.04223%0.231CC..SBendtrans-75.469.6169.8-66.1178.9-177.8-80.53.1109.5S4 F6 S42 F44 M46 L129 C130S4-R65 WeakPolarHBondContact O-CB 3.3Å; F6-R65 PolarHBondContact N-O 3.35Å; S42-R65 PolarHBondContact O-NE 2.93Å; F44-R65 PolarHBondContact O-N 3.04Å; M46-R65 HydrophobicContact CE-CG 4.05Å; M46-R65 HydrophobicContact CG-CG 3.88Å; M46-R65 VanDerWaalsContact CG-CZ 3.45Å; M46-R65 HydrophobicContact SD-CG 4.02Å; M46-R65 PolarHBondContact SD-NH1 2.86Å; M46-R65 VanDerWaalsContact SD-NH1 3.39Å; R65-L129 VanDerWaalsContact NH1-C 3.27Å; R65-L129 PolarHBondContact NH1-O 3.29Å; R65-L129 PolarHBondContact NH2-O 3.37Å; R65-C130 PolarHBondContact NH1-SG 3.18Å
66A95Very high81.3Confident2 Ų236 Ų362%0.01720%0.199CC..EExtended strand (participates in β ladder)trans-130.3129.2-172.700000112.1F6 W21 A64 L68 Y92F6-A66 CarbonylContact O-C 3.51Å; F6-A66 VanDerWaalsContact O-CA 3.23Å; F6-A66 WeakPolarHBondContact O-CA 3.41Å; W21-A66 HydrophobicContact CZ2-CB 3.73Å; A64-A66 HydrophobicContact CB-CB 4.16Å; A64-A66 PolarHBondContact O-N 3.32Å; A66-L68 HydrophobicContact CB-CD1 3.83Å; A66-Y92 WeakPolarHBondContact O-CB 3.35Å
67L97Very high83.5Confident1 Ų135.9 Ų35.91%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-98.2131162.2-91.768.5000108.9V5 F6 I7 Q8 Y92 A122 L123V5-L67 HydrophobicContact CG1-CD1 4.29Å; F6-L67 PolarHBondContact O-N 3.15Å; I7-L67 HydrophobicContact CG1-CB 4.34Å; I7-L67 HydrophobicContact CG2-CB 4.25Å; Q8-L67 PolarHBondContact N-O 3.17Å; L67-Y92 WeakPolarHBondContact CA-O 3.37Å; L67-Y92 HydrophobicContact CD1-CD1 3.81Å; L67-Y92 HydrophobicContact CD1-CG 4.01Å; L67-Y92 HydrophobicContact CG-CD1 4.36Å; L67-Y92 HydrophobicContact CG-CG 4.48Å; L67-A122 HydrophobicContact CD2-CB 3.73Å; L67-A122 HydrophobicContact CG-CB 4.23Å; L67-L123 HydrophobicContact CD2-CD2 3.67Å; L67-L123 HydrophobicContact CD2-CG 3.85Å
68L97.6Very high85.8Confident1 Ų139.2 Ų39.21%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-113114.4178.8-7965.9000107.9A66 V76 M79 Y88 Y92 L93 I94A66-L68 HydrophobicContact CB-CD1 3.83Å; L68-V76 HydrophobicContact CD2-CG1 4.36Å; L68-M79 HydrophobicContact CD2-CE 3.64Å; L68-M79 HydrophobicContact CG-CE 4.42Å; L68-Y88 HydrophobicContact CD1-CD1 3.64Å; L68-Y88 HydrophobicContact CD1-CE1 3.97Å; L68-Y88 HydrophobicContact CD2-CD1 3.9Å; L68-Y88 HydrophobicContact CD2-CE1 4.14Å; L68-Y88 HydrophobicContact CD2-CG 4.15Å; L68-Y88 HydrophobicContact CG-CD1 4.44Å; L68-Y92 PolarHBondContact N-O 3.28Å; L68-L93 HydrophobicContact CB-CD1 4.25Å; L68-L93 HydrophobicContact CB-CG 4.1Å; L68-L93 HydrophobicContact CD2-CD1 4.41Å; L68-L93 WeakPolarHBondContact O-CA 3.3Å; L68-I94 PolarHBondContact O-N 2.99Å
69V97.7Very high87.7Confident0 Ų030.8 Ų30.80%018%0.176CC..EExtended strand (participates in β ladder)trans-122.1123.9-175.9-174.80000108.8I7 Q8 V9 G10 N14 M71 I94 L119 V150 I154I7-V69 HydrophobicContact CG2-CG2 4.48Å; Q8-V69 PolarHBondContact O-N 3.26Å; V9-V69 CarbonylContact C-O 3.59Å; V9-V69 WeakPolarHBondContact CA-O 3.24Å; V9-V69 HydrophobicContact CG1-CB 4.4Å; V9-V69 HydrophobicContact CG1-CG1 4.42Å; V9-V69 HydrophobicContact CG2-CB 4.46Å; G10-V69 PolarHBondContact N-O 3.18Å; N14-V69 PolarHBondContact ND2-O 3.39Å; N14-V69 VanDerWaalsContact ND2-O 3.15Å; V69-M71 HydrophobicContact CG1-CE 3.88Å; V69-I94 WeakPolarHBondContact CA-O 3.34Å; V69-I94 HydrophobicContact CG2-CB 4.42Å; V69-L119 HydrophobicContact CG1-CD2 4.19Å; V69-L119 HydrophobicContact CG2-CD2 3.88Å; V69-V150 HydrophobicContact CG1-CG1 3.9Å; V69-I154 HydrophobicContact CB-CD1 4.48Å; V69-I154 HydrophobicContact CG1-CD1 4.35Å; V69-I154 HydrophobicContact CG2-CD1 4.17Å
70D97.2Very high89.3Confident5 Ų530.8 Ų30.83%0.02718%0.177CC..EExtended strand (participates in β ladder)trans-155.1132.7174.7-152.7-21.9000111.4G10 Q11 N14 E72 V76 I94 T95 D96G10-D70 VanDerWaalsContact C-OD2 3.29Å; Q11-D70 PolarHBondContact N-OD2 2.92Å; N14-D70 PolarHBondContact ND2-OD2 3.49Å; D70-E72 WeakPolarHBondContact CB-O 3.48Å; D70-E72 PolarHBondContact O-N 3.4Å; D70-E72 VanDerWaalsContact O-N 3.16Å; D70-E72 PolarHBondContact OD1-N 2.59Å; D70-V76 HydrophobicContact CB-CG2 3.91Å; D70-I94 PolarHBondContact N-O 2.89Å; D70-T95 CarbonylContact O-C 3.51Å; D70-T95 WeakPolarHBondContact O-CA 3.08Å; D70-D96 PolarHBondContact O-N 3.44Å; D70-D96 VanDerWaalsContact O-N 3.13Å
71M96.4Very high91Very high1 Ų135 Ų351%0.00518%0.184CC..SBendtrans-82.39.3179.7-57.4-62.398.800112.1V69 I94 D96 G99 Y111 H115 T146 V150V69-M71 HydrophobicContact CG1-CE 3.88Å; M71-I94 HydrophobicContact CE-CG2 4.41Å; M71-D96 CarbonylContact C-O 3.58Å; M71-D96 VanDerWaalsContact C-O 3.25Å; M71-D96 HydrophobicContact CB-CB 4.28Å; M71-D96 CarbonylContact O-C 3.29Å; M71-D96 VanDerWaalsContact O-C 3.23Å; M71-D96 VanDerWaalsContact O-O 3.05Å; M71-D96 HydrophobicContact SD-CB 4Å; M71-G99 WeakPolarHBondContact O-CA 3.3Å; M71-G99 PolarHBondContact O-N 3.3Å; M71-Y111 HydrophobicContact CB-CD2 4.2Å; M71-Y111 HydrophobicContact CB-CE2 4.21Å; M71-Y111 HydrophobicContact CB-CG 4.4Å; M71-Y111 HydrophobicContact CG-CD1 4.09Å; M71-Y111 HydrophobicContact CG-CD2 3.82Å; M71-Y111 HydrophobicContact CG-CE2 4.33Å; M71-Y111 HydrophobicContact CG-CG 3.69Å; M71-Y111 HydrophobicContact SD-CD1 3.44Å; M71-Y111 WeakPolarHBondContact SD-CD1 3.33Å; M71-Y111 HydrophobicContact SD-CD2 4.25Å; M71-Y111 HydrophobicContact SD-CE1 4.13Å; M71-Y111 HydrophobicContact SD-CG 3.51Å; M71-Y111 VanDerWaalsContact SD-CG 3.51Å; M71-H115 VanDerWaalsContact SD-CD2 3.53Å; M71-T146 HydrophobicContact CB-CG2 4.25Å; M71-T146 HydrophobicContact CG-CG2 3.81Å; M71-V150 HydrophobicContact CG-CG2 3.97Å; M71-V150 HydrophobicContact SD-CG2 4.45Å
72E92.5Very high92Very high93 Ų9335.1 Ų35.144%0.43519%0.185SC..SBendtrans-129.5148.3168-61.6-175.8-179.700110D70 D96 G99D70-E72 WeakPolarHBondContact CB-O 3.48Å; D70-E72 PolarHBondContact O-N 3.4Å; D70-E72 VanDerWaalsContact O-N 3.16Å; D70-E72 PolarHBondContact OD1-N 2.59Å; E72-D96 CarbonylContact C-O 3.5Å; E72-D96 WeakPolarHBondContact CA-O 3.33Å; E72-D96 PolarHBondContact N-O 3.45Å; E72-G99 VanDerWaalsContact CG-CA 3.45Å
73E91.1Very high92.4Very high81 Ų8137.9 Ų37.938%0.37920%0.204SC..SBendtrans-88.1-15.3-177.5-50.2-173.7155.800113.9V75 V76 N77 D96 V97E73-V75 PolarHBondContact O-N 3.05Å; E73-V76 PolarHBondContact O-N 2.72Å; E73-N77 VanDerWaalsContact CB-ND2 3.28Å; E73-N77 WeakPolarHBondContact CB-ND2 3.42Å; E73-N77 WeakPolarHBondContact O-CB 3.28Å; E73-N77 PolarHBondContact O-N 2.9Å; E73-N77 PolarHBondContact O-ND2 3.13Å; E73-N77 PolarHBondContact OE2-ND2 3.37Å; E73-D96 WeakPolarHBondContact CG-O 3.3Å; E73-D96 PolarHBondContact N-O 3.29Å; E73-V97 HydrophobicContact CG-CG1 4.19Å; E73-V97 WeakPolarHBondContact OE1-CG1 2.76Å
74G91.4Very high92.3Very high53 Ų5335.5 Ų35.555%0.54619%0.193SC..Hα-helixtrans-57.6-51.1-16500000114E78G74-E78 PolarHBondContact O-N 3.05Å; G74-E78 VanDerWaalsContact O-N 3.12Å
75V90.7Very high92.2Very high18 Ų1840.5 Ų40.511%0.10922%0.215CC..Hα-helixtrans-69.3-47.4-176.41800000110.9Q11 N14 Q15 E73 N77 E78 M79Q11-V75 HydrophobicContact CB-CG2 3.99Å; Q11-V75 HydrophobicContact CG-CG2 3.78Å; N14-V75 HydrophobicContact CB-CG1 4.02Å; Q15-V75 HydrophobicContact CG-CG1 3.98Å; E73-V75 PolarHBondContact O-N 3.05Å; V75-N77 PolarHBondContact O-N 3.09Å; V75-E78 WeakPolarHBondContact O-CB 3.36Å; V75-E78 PolarHBondContact O-N 3.02Å; V75-E78 VanDerWaalsContact O-N 3.17Å; V75-M79 HydrophobicContact CG1-SD 4.24Å; V75-M79 WeakPolarHBondContact O-CG 3.35Å; V75-M79 PolarHBondContact O-N 3.02Å
76V91.7Very high91.8Very high2 Ų243.1 Ų43.11%0.01223%0.23CC..Hα-helixtrans-63-43.7179.4179.50000110.6L68 D70 E73 E78 M79 L80 L93 T95L68-V76 HydrophobicContact CD2-CG1 4.36Å; D70-V76 HydrophobicContact CB-CG2 3.91Å; E73-V76 PolarHBondContact O-N 2.72Å; V76-E78 VanDerWaalsContact C-N 3.27Å; V76-E78 PolarHBondContact O-N 3.49Å; V76-M79 WeakPolarHBondContact O-CB 3.25Å; V76-M79 PolarHBondContact O-N 3.31Å; V76-M79 VanDerWaalsContact O-N 3.14Å; V76-L80 HydrophobicContact CG1-CD1 4.28Å; V76-L80 HydrophobicContact CG1-CG 4.43Å; V76-L80 WeakPolarHBondContact O-CG 3.45Å; V76-L80 PolarHBondContact O-N 3.28Å; V76-L93 HydrophobicContact CG1-CD2 3.74Å; V76-L93 HydrophobicContact CG1-CG 4.21Å; V76-T95 HydrophobicContact CB-CG2 4.05Å; V76-T95 HydrophobicContact CG1-CG2 4.11Å; V76-T95 HydrophobicContact CG2-CG2 3.88Å
77N93.2Very high91.6Very high61 Ų6143 Ų4333%0.32623%0.229SC..Hα-helixtrans-61.5-34.6175.9-79.7-27.4000112.7E73 V75 K81E73-N77 VanDerWaalsContact CB-ND2 3.28Å; E73-N77 WeakPolarHBondContact CB-ND2 3.42Å; E73-N77 WeakPolarHBondContact O-CB 3.28Å; E73-N77 PolarHBondContact O-N 2.9Å; E73-N77 PolarHBondContact O-ND2 3.13Å; E73-N77 PolarHBondContact OE2-ND2 3.37Å; V75-N77 PolarHBondContact O-N 3.09Å; N77-K81 WeakPolarHBondContact O-CD 3.45Å; N77-K81 VanDerWaalsContact O-CG 3.28Å; N77-K81 WeakPolarHBondContact O-CG 3.42Å; N77-K81 PolarHBondContact O-N 3.41Å
78E91.4Very high91.3Very high85 Ų8543.3 Ų43.340%0.39723%0.23SC..Hα-helixtrans-67.6-43.3174.1-170.3178.6178.800111.8G74 V75 V76 L80 K81 G82 K244G74-E78 PolarHBondContact O-N 3.05Å; G74-E78 VanDerWaalsContact O-N 3.12Å; V75-E78 WeakPolarHBondContact O-CB 3.36Å; V75-E78 PolarHBondContact O-N 3.02Å; V75-E78 VanDerWaalsContact O-N 3.17Å; V76-E78 VanDerWaalsContact C-N 3.27Å; V76-E78 PolarHBondContact O-N 3.49Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.12Å; E78-K81 PolarHBondContact O-N 2.75Å; E78-K81 VanDerWaalsContact O-N 3.12Å; E78-G82 PolarHBondContact O-N 3.04Å; E78-G82 VanDerWaalsContact O-N 3.11Å; E78-K244 WeakPolarHBondContact OE1-CE 3.12Å; E78-K244 IonicContact OE1-NZ 2.61Å; E78-K244 PolarHBondContact OE1-NZ 3.22Å; E78-K244 IonicContact OE2-NZ 3.54Å; E78-K244 PolarHBondContact OE2-NZ 2.86Å
79M90.5Very high90.9Very high10 Ų1045.3 Ų45.35%0.04924%0.241CC..Hα-helixtrans-61-40.9176.6-68.3168.256.300111.9N14 H18 L68 V75 V76 K81 G82 Y88N14-M79 HydrophobicContact CB-SD 3.86Å; H18-M79 HydrophobicContact CB-CE 3.76Å; H18-M79 HydrophobicContact CB-CG 4.32Å; H18-M79 HydrophobicContact CB-SD 4.14Å; L68-M79 HydrophobicContact CD2-CE 3.64Å; L68-M79 HydrophobicContact CG-CE 4.42Å; V75-M79 HydrophobicContact CG1-SD 4.24Å; V75-M79 WeakPolarHBondContact O-CG 3.35Å; V75-M79 PolarHBondContact O-N 3.02Å; V76-M79 WeakPolarHBondContact O-CB 3.25Å; V76-M79 PolarHBondContact O-N 3.31Å; V76-M79 VanDerWaalsContact O-N 3.14Å; M79-K81 VanDerWaalsContact C-N 3.26Å; M79-K81 PolarHBondContact O-N 3.25Å; M79-G82 WeakPolarHBondContact O-CA 3.48Å; M79-G82 PolarHBondContact O-N 3.34Å; M79-Y88 HydrophobicContact CE-CE1 4.21Å; M79-Y88 HydrophobicContact CE-CE2 4.08Å; M79-Y88 WeakPolarHBondContact CE-OH 3.47Å
80L90.7Very high90.5Very high60 Ų6049.9 Ų49.931%0.31427%0.273SS..Hα-helixtrans-70-18.3176.5-67.7179.7000114.1V76 E78 K85 L93V76-L80 HydrophobicContact CG1-CD1 4.28Å; V76-L80 HydrophobicContact CG1-CG 4.43Å; V76-L80 WeakPolarHBondContact O-CG 3.45Å; V76-L80 PolarHBondContact O-N 3.28Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.12Å; L80-K85 WeakPolarHBondContact O-CB 3.39Å; L80-K85 VanDerWaalsContact O-CD 3.31Å; L80-K85 WeakPolarHBondContact O-CD 3.5Å; L80-L93 HydrophobicContact CD1-CD2 3.63Å; L80-L93 HydrophobicContact CD2-CD2 4.03Å; L80-L93 HydrophobicContact CG-CD2 4.18Å
81K90.7Very high90.2Very high172 Ų17253.1 Ų53.175%0.74830%0.296SS*.Hα-helixtrans-87.5-15.5169.7-70168.2-172.5172.70112.1N77 E78 M79N77-K81 WeakPolarHBondContact O-CD 3.45Å; N77-K81 VanDerWaalsContact O-CG 3.28Å; N77-K81 WeakPolarHBondContact O-CG 3.42Å; N77-K81 PolarHBondContact O-N 3.41Å; E78-K81 PolarHBondContact O-N 2.75Å; E78-K81 VanDerWaalsContact O-N 3.12Å; M79-K81 VanDerWaalsContact C-N 3.26Å; M79-K81 PolarHBondContact O-N 3.25Å
82G86.7Confident90.1Very high18 Ų1853.6 Ų53.619%0.18630%0.298CS..SBendtrans-74.1175.4-178.300000114.4E78 M79 L84 K85E78-G82 PolarHBondContact O-N 3.04Å; E78-G82 VanDerWaalsContact O-N 3.11Å; M79-G82 WeakPolarHBondContact O-CA 3.48Å; M79-G82 PolarHBondContact O-N 3.34Å; G82-L84 PolarHBondContact O-N 3Å; G82-K85 WeakPolarHBondContact O-CB 3.49Å; G82-K85 PolarHBondContact O-N 3.02Å
83P85.9Confident90.2Very high69 Ų6950.9 Ų50.945%0.44829%0.286SS..THydrogen-bonded Turntrans-65.8-28.3-178.824.7-31.1000112.8K85 I235 C236P83-K85 VanDerWaalsContact C-N 3.32Å; P83-K85 PolarHBondContact O-N 3.15Å; P83-I235 HydrophobicContact CB-CG2 4.48Å; P83-C236 WeakPolarHBondContact CG-SG 3.3Å
84L86.8Confident90.4Very high1 Ų147.7 Ų47.71%0.00527%0.271CS..THydrogen-bonded Turntrans-84.21.2-179.4-61.5-175.2000114.3W21 D22 L25 G82 N86 I87 Y88 I235W21-L84 HydrophobicContact CB-CD1 4.39Å; D22-L84 HydrophobicContact CB-CD1 3.79Å; L25-L84 HydrophobicContact CD1-CD2 3.69Å; G82-L84 PolarHBondContact O-N 3Å; L84-N86 PolarHBondContact O-N 3.13Å; L84-I87 HydrophobicContact CB-CD1 3.98Å; L84-I87 HydrophobicContact CB-CG1 4.4Å; L84-I87 HydrophobicContact CD1-CD1 4.26Å; L84-I87 VanDerWaalsContact O-CG1 3.27Å; L84-I87 WeakPolarHBondContact O-CG1 3.26Å; L84-I87 PolarHBondContact O-N 3.45Å; L84-Y88 HydrophobicContact CB-CE2 4.23Å; L84-I235 HydrophobicContact CD2-CG2 3.99Å
85K88Confident90.6Very high106 Ų10647.6 Ų47.646%0.46126%0.26SS..G310 helixtrans-48.5-33.6-174.470.9-176.5-176177.50115.1L80 G82 P83 I87 Y88L80-K85 WeakPolarHBondContact O-CB 3.39Å; L80-K85 VanDerWaalsContact O-CD 3.31Å; L80-K85 WeakPolarHBondContact O-CD 3.5Å; G82-K85 WeakPolarHBondContact O-CB 3.49Å; G82-K85 PolarHBondContact O-N 3.02Å; P83-K85 VanDerWaalsContact C-N 3.32Å; P83-K85 PolarHBondContact O-N 3.15Å; K85-I87 VanDerWaalsContact C-N 3.26Å; K85-I87 PolarHBondContact O-N 3.06Å; K85-Y88 PolarHBondContact O-N 2.94Å
86N86.3Confident90.8Very high66 Ų6648.3 Ų48.335%0.35326%0.263SS..G310 helixtrans-71.9-20.4-175.4-66.1-24.9000112.9K63 L84 Y88K63-N86 WeakPolarHBondContact CD-O 3.33Å; K63-N86 PolarHBondContact NZ-O 3.02Å; L84-N86 PolarHBondContact O-N 3.13Å; N86-Y88 VanDerWaalsContact C-N 3.33Å
87I89.5Confident90.7Very high0 Ų053.1 Ų53.10%029%0.292CS..G310 helixtrans-77.7-23.2179.983.1-174.9000112.2W21 L25 I59 L62 K63 A64 L84 K85W21-I87 HydrophobicContact CB-CD1 3.55Å; W21-I87 HydrophobicContact CG-CD1 3.9Å; L25-I87 HydrophobicContact CD1-CG2 4.23Å; I59-I87 HydrophobicContact CG2-CG2 4.19Å; L62-I87 WeakPolarHBondContact O-CA 3.41Å; K63-I87 CarbonylContact C-O 3.37Å; K63-I87 VanDerWaalsContact CA-O 3.28Å; K63-I87 WeakPolarHBondContact CA-O 3.17Å; A64-I87 HydrophobicContact CB-CB 4.38Å; A64-I87 HydrophobicContact CB-CD1 4.34Å; A64-I87 HydrophobicContact CB-CG1 4.15Å; A64-I87 PolarHBondContact N-O 2.88Å; L84-I87 HydrophobicContact CB-CD1 3.98Å; L84-I87 HydrophobicContact CB-CG1 4.4Å; L84-I87 HydrophobicContact CD1-CD1 4.26Å; L84-I87 VanDerWaalsContact O-CG1 3.27Å; L84-I87 WeakPolarHBondContact O-CG1 3.26Å; L84-I87 PolarHBondContact O-N 3.45Å; K85-I87 VanDerWaalsContact C-N 3.26Å; K85-I87 PolarHBondContact O-N 3.06Å
88Y91.5Very high90.4Very high7 Ų754.5 Ų54.53%0.02731%0.307CS..SBendtrans-85.1138.8178.7-54.4-64.7000109.9H18 W21 K63 L68 M79 L84 K85 N86H18-Y88 AromaticContact ND1-CZ 3.92Å; H18-Y88 PolarHBondContact ND1-OH 2.85Å; W21-Y88 AromaticContact CD1-CE1 3.76Å; K63-Y88 PolarHBondContact NZ-O 3.18Å; L68-Y88 HydrophobicContact CD1-CD1 3.64Å; L68-Y88 HydrophobicContact CD1-CE1 3.97Å; L68-Y88 HydrophobicContact CD2-CD1 3.9Å; L68-Y88 HydrophobicContact CD2-CE1 4.14Å; L68-Y88 HydrophobicContact CD2-CG 4.15Å; L68-Y88 HydrophobicContact CG-CD1 4.44Å; M79-Y88 HydrophobicContact CE-CE1 4.21Å; M79-Y88 HydrophobicContact CE-CE2 4.08Å; M79-Y88 WeakPolarHBondContact CE-OH 3.47Å; L84-Y88 HydrophobicContact CB-CE2 4.23Å; K85-Y88 PolarHBondContact O-N 2.94Å; N86-Y88 VanDerWaalsContact C-N 3.33Å
89D89.8Confident90.4Very high43 Ų4350.7 Ų50.723%0.2329%0.291CS..  trans-102.3120.8172.2-174.5-29.1000108.4K63 S91 Y92 L93K63-D89 HydrophobicContact CD-CB 4.19Å; D89-S91 PolarHBondContact O-N 2.8Å; D89-S91 VanDerWaalsContact OD1-CB 3.26Å; D89-S91 WeakPolarHBondContact OD1-CB 3.34Å; D89-S91 PolarHBondContact OD1-N 3.16Å; D89-S91 PolarHBondContact OD1-OG 3.27Å; D89-Y92 HydrophobicContact CB-CD2 3.75Å; D89-Y92 HydrophobicContact CB-CE2 4.03Å; D89-Y92 PolarHBondContact O-N 3.44Å; D89-L93 WeakPolarHBondContact O-CD1 2.97Å
90S89.6Confident90.4Very high97 Ų9750.3 Ų50.368%0.67829%0.289SS*.G310 helixtrans-54.7-22.8-179.448.50000113.6Y92 L93S90-Y92 PolarHBondContact O-N 3.31Å; S90-L93 PolarHBondContact O-N 2.97Å
91S89.9Confident90.5Very high72 Ų7250.7 Ų50.750%0.50331%0.307SS..G310 helixtrans-68.1-16.8178.4-44.30000113.4D89D89-S91 PolarHBondContact O-N 2.8Å; D89-S91 VanDerWaalsContact OD1-CB 3.26Å; D89-S91 WeakPolarHBondContact OD1-CB 3.34Å; D89-S91 PolarHBondContact OD1-N 3.16Å; D89-S91 PolarHBondContact OD1-OG 3.27Å
92Y93.7Very high90.7Very high12 Ų1246.4 Ų46.45%0.04729%0.293CS..G310 helixtrans-111.415.8179.7-55.6-60.2000112.7A66 L67 L68 D89 S90 A122 K125 L129A66-Y92 WeakPolarHBondContact O-CB 3.35Å; L67-Y92 WeakPolarHBondContact CA-O 3.37Å; L67-Y92 HydrophobicContact CD1-CD1 3.81Å; L67-Y92 HydrophobicContact CD1-CG 4.01Å; L67-Y92 HydrophobicContact CG-CD1 4.36Å; L67-Y92 HydrophobicContact CG-CG 4.48Å; L68-Y92 PolarHBondContact N-O 3.28Å; D89-Y92 HydrophobicContact CB-CD2 3.75Å; D89-Y92 HydrophobicContact CB-CE2 4.03Å; D89-Y92 PolarHBondContact O-N 3.44Å; S90-Y92 PolarHBondContact O-N 3.31Å; Y92-A122 HydrophobicContact CD1-CB 4.24Å; Y92-A122 WeakPolarHBondContact CE1-O 3.14Å; Y92-K125 HydrophobicContact CE1-CB 3.7Å; Y92-L129 WeakPolarHBondContact OH-CD1 3.42Å
93L95.3Very high91.2Very high36 Ų3646.2 Ų46.219%0.18829%0.287CS..EExtended strand (participates in β ladder)trans-98.3121.8174.6-85.363.5000109.2L68 V76 L80 D89 S90L68-L93 HydrophobicContact CB-CD1 4.25Å; L68-L93 HydrophobicContact CB-CG 4.1Å; L68-L93 HydrophobicContact CD2-CD1 4.41Å; L68-L93 WeakPolarHBondContact O-CA 3.3Å; V76-L93 HydrophobicContact CG1-CD2 3.74Å; V76-L93 HydrophobicContact CG1-CG 4.21Å; L80-L93 HydrophobicContact CD1-CD2 3.63Å; L80-L93 HydrophobicContact CD2-CD2 4.03Å; L80-L93 HydrophobicContact CG-CD2 4.18Å; D89-L93 WeakPolarHBondContact O-CD1 2.97Å; S90-L93 PolarHBondContact O-N 2.97Å
94I96.2Very high91.8Very high13 Ų1343 Ų437%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-122.6102.4176.6-62.6166.4000106.8L68 V69 D70 M71 H115 A118 L119 A122L68-I94 PolarHBondContact O-N 2.99Å; V69-I94 WeakPolarHBondContact CA-O 3.34Å; V69-I94 HydrophobicContact CG2-CB 4.42Å; D70-I94 PolarHBondContact N-O 2.89Å; M71-I94 HydrophobicContact CE-CG2 4.41Å; I94-H115 HydrophobicContact CG2-CB 4.18Å; I94-A118 HydrophobicContact CD1-CB 4.29Å; I94-L119 HydrophobicContact CD1-CB 4.47Å; I94-L119 HydrophobicContact CD1-CD2 3.61Å; I94-L119 HydrophobicContact CD1-CG 4.04Å; I94-A122 HydrophobicContact CD1-CB 3.92Å
95T95.4Very high92.3Very high51 Ų5143 Ų4331%0.31327%0.266SS..EExtended strand (participates in β ladder)trans-124.6152.2-179.959.40000113.7D70 V76D70-T95 CarbonylContact O-C 3.51Å; D70-T95 WeakPolarHBondContact O-CA 3.08Å; V76-T95 HydrophobicContact CB-CG2 4.05Å; V76-T95 HydrophobicContact CG1-CG2 4.11Å; V76-T95 HydrophobicContact CG2-CG2 3.88Å
96D94.1Very high92.8Very high33 Ų3339.6 Ų39.618%0.17625%0.254CS..  trans-129.9173.7172.3-147.9-52.9000110.3D70 M71 E72 E73 Y111 H115D70-D96 PolarHBondContact O-N 3.44Å; D70-D96 VanDerWaalsContact O-N 3.13Å; M71-D96 CarbonylContact C-O 3.58Å; M71-D96 VanDerWaalsContact C-O 3.25Å; M71-D96 HydrophobicContact CB-CB 4.28Å; M71-D96 CarbonylContact O-C 3.29Å; M71-D96 VanDerWaalsContact O-C 3.23Å; M71-D96 VanDerWaalsContact O-O 3.05Å; M71-D96 HydrophobicContact SD-CB 4Å; E72-D96 CarbonylContact C-O 3.5Å; E72-D96 WeakPolarHBondContact CA-O 3.33Å; E72-D96 PolarHBondContact N-O 3.45Å; E73-D96 WeakPolarHBondContact CG-O 3.3Å; E73-D96 PolarHBondContact N-O 3.29Å; D96-Y111 HydrophobicContact CB-CE1 4.17Å; D96-Y111 VanDerWaalsContact OD2-CE1 3.32Å; D96-Y111 WeakPolarHBondContact OD2-CE1 3.49Å; D96-H115 IonicContact OD2-CE1 3.25Å; D96-H115 IonicContact OD2-NE2 2.84Å; D96-H115 PolarHBondContact OD2-NE2 2.88Å
97V90.3Very high93.3Very high103 Ų10336.4 Ų36.462%0.62424%0.237SC*.SBendtrans-106.2-22.7-173-66.70000114.2E73E73-V97 HydrophobicContact CG-CG1 4.19Å; E73-V97 WeakPolarHBondContact OE1-CG1 2.76Å
98S87.2Confident93.7Very high90 Ų9037 Ų3763%0.62924%0.24SC*.SBendtrans-91.5-15-167.9-33.20000114Y111S98-Y111 VanDerWaalsContact CB-OH 3.24Å; S98-Y111 WeakPolarHBondContact CB-OH 3.17Å
99G89.5Confident94Very high6 Ų637.5 Ų37.56%0.06224%0.244CC..  trans68.5158.8-174.600000113.2M71 E72 G101 Y111M71-G99 WeakPolarHBondContact O-CA 3.3Å; M71-G99 PolarHBondContact O-N 3.3Å; E72-G99 VanDerWaalsContact CG-CA 3.45Å; G99-G101 PolarHBondContact O-N 2.93Å; G99-Y111 WeakPolarHBondContact O-CE2 3.47Å
100S91.9Very high94.4Very high2 Ų241.5 Ų41.51%0.01426%0.256CS..  trans-84.97.2174.9-50.70000113.4N102 N103 T146S100-N102 PolarHBondContact O-N 2.92Å; S100-N102 VanDerWaalsContact O-N 3.08Å; S100-N103 PolarHBondContact O-N 3.35Å; S100-T146 WeakPolarHBondContact CB-OG1 3.31Å; S100-T146 PolarHBondContact OG-OG1 3.03Å
101G92Very high94.7Very high67 Ų6737.4 Ų37.469%0.69123%0.226SC*.THydrogen-bonded Turntrans54.931.4176.200000114.7G99 N103G99-G101 PolarHBondContact O-N 2.93Å; G101-N103 PolarHBondContact O-N 2.94Å
102N94.8Very high95Very high83 Ų8334 Ų3444%0.44420%0.202SC..THydrogen-bonded Turntrans53.232.7-172.8-63.3-37.9000114.9S100 V180 T182 N186S100-N102 PolarHBondContact O-N 2.92Å; S100-N102 VanDerWaalsContact O-N 3.08Å; N102-V180 HydrophobicContact CB-CG1 3.7Å; N102-V180 HydrophobicContact CB-CG2 4.05Å; N102-T182 PolarHBondContact O-OG1 3.36Å; N102-N186 PolarHBondContact O-ND2 3.49Å
103N97Very high95.1Very high13 Ų1339.5 Ų39.57%0.0722%0.223CC..  trans-121.1117.8-179.2-175.3-27.5000110.9S100 G101 A105 V106 G107 H418 Y419S100-N103 PolarHBondContact O-N 3.35Å; G101-N103 PolarHBondContact O-N 2.94Å; N103-A105 VanDerWaalsContact C-N 3.3Å; N103-A105 PolarHBondContact O-N 2.78Å; N103-A105 WeakPolarHBondContact OD1-CB 3.45Å; N103-A105 PolarHBondContact OD1-N 3.18Å; N103-V106 HydrophobicContact CB-CB 4.23Å; N103-V106 HydrophobicContact CB-CG2 3.91Å; N103-V106 PolarHBondContact O-N 2.95Å; N103-G107 PolarHBondContact O-N 2.75Å; N103-G107 VanDerWaalsContact O-N 3.1Å; N103-H418 PolarHBondContact ND2-O 3.23Å; N103-Y419 VanDerWaalsContact OD1-CD1 3.31Å; N103-Y419 WeakPolarHBondContact OD1-CD1 3.43Å; N103-Y419 VanDerWaalsContact OD1-CE1 3.26Å; N103-Y419 WeakPolarHBondContact OD1-CE1 3.36Å
104W98.2Very high95.1Very high2 Ų241.7 Ų41.71%0.00824%0.237CC..Hα-helixtrans-57.8-39.3178.6178.597000112.6V106 G107 N108 S148 G149 T152 N186 L189 Q193 Y419 F425 M429W104-V106 PolarHBondContact O-N 2.82Å; W104-G107 PolarHBondContact O-N 2.78Å; W104-N108 HydrophobicContact CD2-CB 4.01Å; W104-N108 HydrophobicContact CE3-CB 4.14Å; W104-N108 HydrophobicContact CH2-CB 3.85Å; W104-N108 HydrophobicContact CZ2-CB 3.66Å; W104-N108 VanDerWaalsContact CZ2-CG 3.44Å; W104-N108 HydrophobicContact CZ3-CB 4.08Å; W104-N108 WeakPolarHBondContact O-CB 3.14Å; W104-N108 PolarHBondContact O-N 3.03Å; W104-S148 VanDerWaalsContact CD1-C 3.49Å; W104-S148 PolarHBondContact NE1-O 3.27Å; W104-G149 VanDerWaalsContact CD1-CA 3.47Å; W104-T152 PolarHBondContact NE1-OG1 3.1Å; W104-N186 HydrophobicContact CB-CB 4.06Å; W104-N186 VanDerWaalsContact CB-OD1 3.22Å; W104-N186 WeakPolarHBondContact CB-OD1 3.36Å; W104-N186 PolarHBondContact N-OD1 3.34Å; W104-L189 HydrophobicContact CB-CD1 4.26Å; W104-L189 HydrophobicContact CD2-CB 3.6Å; W104-L189 HydrophobicContact CD2-CD1 3.97Å; W104-L189 HydrophobicContact CD2-CG 4.37Å; W104-L189 HydrophobicContact CE3-CB 3.89Å; W104-L189 HydrophobicContact CE3-CD1 3.61Å; W104-L189 HydrophobicContact CE3-CD2 4.46Å; W104-L189 HydrophobicContact CE3-CG 4.2Å; W104-L189 HydrophobicContact CG-CB 3.92Å; W104-L189 HydrophobicContact CG-CD1 4.26Å; W104-L189 HydrophobicContact CH2-CB 4.49Å; W104-L189 HydrophobicContact CZ2-CB 4.26Å; W104-L189 HydrophobicContact CZ3-CB 4.32Å; W104-L189 HydrophobicContact CZ3-CD1 4.27Å; W104-L189 HydrophobicContact CZ3-CD2 4.36Å; W104-Q193 HydrophobicContact CZ2-CG 3.86Å; W104-Y419 HydrophobicContact CB-CE1 4.32Å; W104-F425 HydrophobicContact CE3-CE2 4.32Å; W104-F425 HydrophobicContact CZ3-CD2 4.4Å; W104-F425 HydrophobicContact CZ3-CE2 4.16Å; W104-M429 HydrophobicContact CH2-CE 3.85Å; W104-M429 HydrophobicContact CZ3-CE 3.93Å
105A98Very high95.2Very high0 Ų042.4 Ų42.40%024%0.241CC..Hα-helixtrans-65-41-178.900000111.4N103 G107 L109 Y110 Y419 V422 F425N103-A105 VanDerWaalsContact C-N 3.3Å; N103-A105 PolarHBondContact O-N 2.78Å; N103-A105 WeakPolarHBondContact OD1-CB 3.45Å; N103-A105 PolarHBondContact OD1-N 3.18Å; A105-G107 VanDerWaalsContact C-N 3.35Å; A105-L109 HydrophobicContact CB-CD1 4.4Å; A105-L109 WeakPolarHBondContact O-CA 3.3Å; A105-L109 VanDerWaalsContact O-CB 3.28Å; A105-L109 WeakPolarHBondContact O-CB 3.48Å; A105-L109 PolarHBondContact O-N 2.82Å; A105-Y110 PolarHBondContact O-N 3.37Å; A105-Y419 HydrophobicContact CB-CD1 3.92Å; A105-V422 HydrophobicContact CB-CB 3.96Å; A105-V422 HydrophobicContact CB-CG1 4.18Å; A105-V422 HydrophobicContact CB-CG2 3.89Å; A105-F425 HydrophobicContact CB-CB 4.39Å; A105-F425 HydrophobicContact CB-CD2 3.49Å; A105-F425 VanDerWaalsContact CB-CD2 3.49Å; A105-F425 HydrophobicContact CB-CE2 4.08Å; A105-F425 HydrophobicContact CB-CG 4.11Å
106V97.7Very high95.2Very high35 Ų3544.1 Ų44.121%0.21225%0.245CC..Iπ-helixtrans-63.3-43.3174.4179.50000110.4N103 W104 Y110 Y111 V422N103-V106 HydrophobicContact CB-CB 4.23Å; N103-V106 HydrophobicContact CB-CG2 3.91Å; N103-V106 PolarHBondContact O-N 2.95Å; W104-V106 PolarHBondContact O-N 2.82Å; V106-Y110 WeakPolarHBondContact O-CB 3.49Å; V106-Y110 PolarHBondContact O-N 2.89Å; V106-Y111 HydrophobicContact CG1-CD2 3.77Å; V106-Y111 HydrophobicContact CG1-CE2 3.66Å; V106-Y111 WeakPolarHBondContact O-CD2 3.39Å; V106-Y111 PolarHBondContact O-N 2.86Å; V106-V422 HydrophobicContact CG2-CG2 3.63Å
107G97.8Very high95.4Very high0 Ų049.1 Ų49.10%027%0.272CS..Iπ-helixtrans-62.5-53.617600000113N103 W104 A105 G112 V150N103-G107 PolarHBondContact O-N 2.75Å; N103-G107 VanDerWaalsContact O-N 3.1Å; W104-G107 PolarHBondContact O-N 2.78Å; A105-G107 VanDerWaalsContact C-N 3.35Å; G107-G112 PolarHBondContact O-N 2.82Å; G107-V150 VanDerWaalsContact O-CG2 3.27Å; G107-V150 WeakPolarHBondContact O-CG2 3.46Å
108N98.2Very high95.7Very high11 Ų1146.4 Ų46.46%0.05926%0.26CS..Iπ-helixtrans-78.9-46.7-171.1-170.5-83000113.4W104 G149 T152 H153W104-N108 HydrophobicContact CD2-CB 4.01Å; W104-N108 HydrophobicContact CE3-CB 4.14Å; W104-N108 HydrophobicContact CH2-CB 3.85Å; W104-N108 HydrophobicContact CZ2-CB 3.66Å; W104-N108 VanDerWaalsContact CZ2-CG 3.44Å; W104-N108 HydrophobicContact CZ3-CB 4.08Å; W104-N108 WeakPolarHBondContact O-CB 3.14Å; W104-N108 PolarHBondContact O-N 3.03Å; N108-G149 WeakPolarHBondContact CA-O 3.33Å; N108-G149 WeakPolarHBondContact CB-O 3.36Å; N108-G149 PolarHBondContact ND2-O 2.78Å; N108-T152 PolarHBondContact ND2-OG1 2.87Å; N108-T152 VanDerWaalsContact ND2-OG1 3.11Å; N108-H153 PolarHBondContact ND2-N 3.42Å; N108-H153 PolarHBondContact O-ND1 2.98Å
109L97.5Very high96.2Very high19 Ų1942.1 Ų42.110%0.09923%0.23CC..Iπ-helixtrans-93.2-33.8-169.9-57.8177.2000112.9A105 R113 V422 F425A105-L109 HydrophobicContact CB-CD1 4.4Å; A105-L109 WeakPolarHBondContact O-CA 3.3Å; A105-L109 VanDerWaalsContact O-CB 3.28Å; A105-L109 WeakPolarHBondContact O-CB 3.48Å; A105-L109 PolarHBondContact O-N 2.82Å; L109-R113 WeakPolarHBondContact O-CD 3.49Å; L109-R113 WeakPolarHBondContact O-CG 3.3Å; L109-R113 PolarHBondContact O-NE 3.46Å; L109-V422 HydrophobicContact CB-CG1 4.26Å; L109-F425 HydrophobicContact CD1-CB 3.71Å; L109-F425 HydrophobicContact CD1-CD2 3.84Å; L109-F425 HydrophobicContact CD1-CG 4.28Å
110Y97.2Very high96.6Very high127 Ų12743.4 Ų43.450%0.49824%0.238SC..Iπ-helixtrans-90.4-67.9176.5179.9-100.6000111A105 V106 G112 R113 V114A105-Y110 PolarHBondContact O-N 3.37Å; V106-Y110 WeakPolarHBondContact O-CB 3.49Å; V106-Y110 PolarHBondContact O-N 2.89Å; Y110-G112 PolarHBondContact O-N 3.11Å; Y110-R113 PolarHBondContact O-N 2.69Å; Y110-V114 HydrophobicContact CD1-CG2 4.47Å; Y110-V114 HydrophobicContact CD2-CG2 4.37Å; Y110-V114 HydrophobicContact CE1-CG2 4.21Å; Y110-V114 HydrophobicContact CE2-CG2 4.1Å; Y110-V114 WeakPolarHBondContact O-CG2 3.48Å; Y110-V114 PolarHBondContact O-N 2.71Å
111Y97.1Very high96.8Very high11 Ų1146.7 Ų46.74%0.04325%0.253CS..Iπ-helixtrans-66.7-36.9-175.7-78-60.3000113.8M71 D96 S98 G99 V106 R113 V114 H115M71-Y111 HydrophobicContact CB-CD2 4.2Å; M71-Y111 HydrophobicContact CB-CE2 4.21Å; M71-Y111 HydrophobicContact CB-CG 4.4Å; M71-Y111 HydrophobicContact CG-CD1 4.09Å; M71-Y111 HydrophobicContact CG-CD2 3.82Å; M71-Y111 HydrophobicContact CG-CE2 4.33Å; M71-Y111 HydrophobicContact CG-CG 3.69Å; M71-Y111 HydrophobicContact SD-CD1 3.44Å; M71-Y111 WeakPolarHBondContact SD-CD1 3.33Å; M71-Y111 HydrophobicContact SD-CD2 4.25Å; M71-Y111 HydrophobicContact SD-CE1 4.13Å; M71-Y111 HydrophobicContact SD-CG 3.51Å; M71-Y111 VanDerWaalsContact SD-CG 3.51Å; D96-Y111 HydrophobicContact CB-CE1 4.17Å; D96-Y111 VanDerWaalsContact OD2-CE1 3.32Å; D96-Y111 WeakPolarHBondContact OD2-CE1 3.49Å; S98-Y111 VanDerWaalsContact CB-OH 3.24Å; S98-Y111 WeakPolarHBondContact CB-OH 3.17Å; G99-Y111 WeakPolarHBondContact O-CE2 3.47Å; V106-Y111 HydrophobicContact CG1-CD2 3.77Å; V106-Y111 HydrophobicContact CG1-CE2 3.66Å; V106-Y111 WeakPolarHBondContact O-CD2 3.39Å; V106-Y111 PolarHBondContact O-N 2.86Å; Y111-R113 VanDerWaalsContact C-N 3.28Å; Y111-R113 PolarHBondContact O-N 2.65Å; Y111-V114 PolarHBondContact O-N 3.41Å; Y111-H115 AromaticContact CD1-CD2 3.91Å; Y111-H115 WeakPolarHBondContact O-CB 3.29Å; Y111-H115 PolarHBondContact O-N 3.31Å
112G95.8Very high97Very high0 Ų043.7 Ų43.70%022%0.221CC..Hα-helixtrans-54.1-45.6172.800000111.8G107 Y110 Q116 H153G107-G112 PolarHBondContact O-N 2.82Å; Y110-G112 PolarHBondContact O-N 3.11Å; G112-Q116 WeakPolarHBondContact O-CA 3.16Å; G112-Q116 WeakPolarHBondContact O-CB 3.25Å; G112-Q116 PolarHBondContact O-N 2.71Å; G112-Q116 VanDerWaalsContact O-N 3.08Å; G112-H153 PolarHBondContact O-NE2 2.84Å
113R95.8Very high97.1Very high127 Ų12739.8 Ų39.848%0.47920%0.201SC..Hα-helixtrans-71-45.5176.5-67.2-176.4-172.4170.41.4113L109 Y110 Y111 H115 Q116L109-R113 WeakPolarHBondContact O-CD 3.49Å; L109-R113 WeakPolarHBondContact O-CG 3.3Å; L109-R113 PolarHBondContact O-NE 3.46Å; Y110-R113 PolarHBondContact O-N 2.69Å; Y111-R113 VanDerWaalsContact C-N 3.28Å; Y111-R113 PolarHBondContact O-N 2.65Å; R113-H115 VanDerWaalsContact C-N 3.27Å; R113-H115 PolarHBondContact O-N 3Å; R113-Q116 WeakPolarHBondContact O-CB 3.2Å; R113-Q116 PolarHBondContact O-N 3.45Å
114V96.3Very high97.1Very high82 Ų8243.7 Ų43.750%0.49722%0.215SC..Hα-helixtrans-59.4-40.5-178.61690000111.3Y110 Y111Y110-V114 HydrophobicContact CD1-CG2 4.47Å; Y110-V114 HydrophobicContact CD2-CG2 4.37Å; Y110-V114 HydrophobicContact CE1-CG2 4.21Å; Y110-V114 HydrophobicContact CE2-CG2 4.1Å; Y110-V114 WeakPolarHBondContact O-CG2 3.48Å; Y110-V114 PolarHBondContact O-N 2.71Å; Y111-V114 PolarHBondContact O-N 3.41Å
115H96.5Very high96.9Very high29 Ų2947.6 Ų47.613%0.13423%0.231CC..THydrogen-bonded Turntrans-99.69.5-178-67.9-69.5000113.7M71 I94 D96 Y111 R113 D117 A118 L119M71-H115 VanDerWaalsContact SD-CD2 3.53Å; I94-H115 HydrophobicContact CG2-CB 4.18Å; D96-H115 IonicContact OD2-CE1 3.25Å; D96-H115 IonicContact OD2-NE2 2.84Å; D96-H115 PolarHBondContact OD2-NE2 2.88Å; Y111-H115 AromaticContact CD1-CD2 3.91Å; Y111-H115 WeakPolarHBondContact O-CB 3.29Å; Y111-H115 PolarHBondContact O-N 3.31Å; R113-H115 VanDerWaalsContact C-N 3.27Å; R113-H115 PolarHBondContact O-N 3Å; H115-D117 PolarHBondContact O-N 2.84Å; H115-A118 PolarHBondContact O-N 3.34Å; H115-L119 HydrophobicContact CB-CD1 4.26Å; H115-L119 HydrophobicContact CB-CG 4.36Å; H115-L119 WeakPolarHBondContact O-CB 3.5Å; H115-L119 VanDerWaalsContact O-CG 3.27Å; H115-L119 WeakPolarHBondContact O-CG 3.44Å; H115-L119 PolarHBondContact O-N 3.12Å
116Q96.9Very high96.7Very high86 Ų8647.6 Ų47.640%0.40223%0.232SC..Hα-helixtrans-55.1-52.1-174.4-175.5170.6-16.300112.1G112 R113 A118 L119 C120 I157G112-Q116 WeakPolarHBondContact O-CA 3.16Å; G112-Q116 WeakPolarHBondContact O-CB 3.25Å; G112-Q116 PolarHBondContact O-N 2.71Å; G112-Q116 VanDerWaalsContact O-N 3.08Å; R113-Q116 WeakPolarHBondContact O-CB 3.2Å; R113-Q116 PolarHBondContact O-N 3.45Å; Q116-A118 VanDerWaalsContact C-N 3.32Å; Q116-A118 PolarHBondContact O-N 3.06Å; Q116-L119 PolarHBondContact O-N 2.86Å; Q116-C120 PolarHBondContact O-N 3.19Å; Q116-C120 PolarHBondContact O-SG 2.97Å; Q116-C120 VanDerWaalsContact O-SG 3.34Å; Q116-I157 HydrophobicContact CG-CD1 4.4Å
117D97.4Very high96.5Very high138 Ų13847.2 Ų47.274%0.73823%0.229SC*.Hα-helixtrans-62.6-39.8-179.2-67.1-22.7000112H115 E121H115-D117 PolarHBondContact O-N 2.84Å; D117-E121 VanDerWaalsContact O-CB 3.25Å; D117-E121 WeakPolarHBondContact O-CB 3.42Å; D117-E121 PolarHBondContact O-N 3.13Å
118A97.1Very high96.3Very high46 Ų4653 Ų5338%0.3826%0.257SS..Hα-helixtrans-66.9-41.2178.300000111.6I94 H115 Q116 E121 A122I94-A118 HydrophobicContact CD1-CB 4.29Å; H115-A118 PolarHBondContact O-N 3.34Å; Q116-A118 VanDerWaalsContact C-N 3.32Å; Q116-A118 PolarHBondContact O-N 3.06Å; A118-E121 PolarHBondContact O-N 3.47Å; A118-A122 VanDerWaalsContact O-CB 3.29Å; A118-A122 WeakPolarHBondContact O-CB 3.19Å; A118-A122 PolarHBondContact O-N 3.28Å
119L97.5Very high95.9Very high1 Ų156.5 Ų56.51%0.00527%0.274CS..Hα-helixtrans-62.9-50.9175.7-72166.6000110.8V69 I94 H115 Q116 E121 A122 L123 I154 I157V69-L119 HydrophobicContact CG1-CD2 4.19Å; V69-L119 HydrophobicContact CG2-CD2 3.88Å; I94-L119 HydrophobicContact CD1-CB 4.47Å; I94-L119 HydrophobicContact CD1-CD2 3.61Å; I94-L119 HydrophobicContact CD1-CG 4.04Å; H115-L119 HydrophobicContact CB-CD1 4.26Å; H115-L119 HydrophobicContact CB-CG 4.36Å; H115-L119 WeakPolarHBondContact O-CB 3.5Å; H115-L119 VanDerWaalsContact O-CG 3.27Å; H115-L119 WeakPolarHBondContact O-CG 3.44Å; H115-L119 PolarHBondContact O-N 3.12Å; Q116-L119 PolarHBondContact O-N 2.86Å; L119-E121 VanDerWaalsContact C-N 3.32Å; L119-E121 PolarHBondContact O-N 2.59Å; L119-A122 PolarHBondContact O-N 3.03Å; L119-L123 WeakPolarHBondContact O-CB 3.39Å; L119-L123 VanDerWaalsContact O-CG 3.24Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 2.58Å; L119-I154 HydrophobicContact CD1-CG1 4.07Å; L119-I154 HydrophobicContact CD2-CD1 3.83Å; L119-I154 HydrophobicContact CD2-CG1 3.96Å; L119-I157 HydrophobicContact CB-CD1 4.02Å; L119-I157 HydrophobicContact CD1-CD1 4.14Å
120C97.3Very high95.5Very high33 Ų3356.4 Ų56.422%0.22328%0.275CS..Hα-helixtrans-58.3-44.2177.5-68.30000111.6Q116 L123 R124Q116-C120 PolarHBondContact O-N 3.19Å; Q116-C120 PolarHBondContact O-SG 2.97Å; Q116-C120 VanDerWaalsContact O-SG 3.34Å; C120-L123 PolarHBondContact O-N 2.96Å; C120-R124 VanDerWaalsContact O-CB 3.28Å; C120-R124 WeakPolarHBondContact O-CB 3.41Å; C120-R124 PolarHBondContact O-N 3.28Å
121E97Very high95.1Very high70 Ų7057.7 Ų57.733%0.32729%0.291SS..Hα-helixtrans-67.6-41-179.6179.364.1178.600112.7D117 A118 L119 R124 K125D117-E121 VanDerWaalsContact O-CB 3.25Å; D117-E121 WeakPolarHBondContact O-CB 3.42Å; D117-E121 PolarHBondContact O-N 3.13Å; A118-E121 PolarHBondContact O-N 3.47Å; L119-E121 VanDerWaalsContact C-N 3.32Å; L119-E121 PolarHBondContact O-N 2.59Å; E121-R124 IonicContact OE1-CZ 3.74Å; E121-R124 IonicContact OE1-NH2 3.83Å; E121-R124 PolarHBondContact OE1-NH2 3.01Å; E121-R124 IonicContact OE2-CZ 2.9Å; E121-R124 VanDerWaalsContact OE2-CZ 3.25Å; E121-R124 IonicContact OE2-NE 3.95Å; E121-R124 PolarHBondContact OE2-NE 3.37Å; E121-R124 IonicContact OE2-NH2 3.92Å; E121-R124 PolarHBondContact OE2-NH2 3.27Å; E121-K125 WeakPolarHBondContact O-CB 3.41Å; E121-K125 WeakPolarHBondContact O-CG 3.38Å; E121-K125 PolarHBondContact O-N 3.05Å; E121-K125 WeakPolarHBondContact OE1-CE 3.39Å; E121-K125 IonicContact OE1-NZ 2.69Å; E121-K125 PolarHBondContact OE1-NZ 2.97Å; E121-K125 VanDerWaalsContact OE1-NZ 3.14Å
122A96.4Very high94.8Very high4 Ų460 Ų603%0.03331%0.309CS..Hα-helixtrans-64.7-42.9176.100000111.4L67 Y92 I94 A118 L119 S126L67-A122 HydrophobicContact CD2-CB 3.73Å; L67-A122 HydrophobicContact CG-CB 4.23Å; Y92-A122 HydrophobicContact CD1-CB 4.24Å; Y92-A122 WeakPolarHBondContact CE1-O 3.14Å; I94-A122 HydrophobicContact CD1-CB 3.92Å; A118-A122 VanDerWaalsContact O-CB 3.29Å; A118-A122 WeakPolarHBondContact O-CB 3.19Å; A118-A122 PolarHBondContact O-N 3.28Å; L119-A122 PolarHBondContact O-N 3.03Å; A122-S126 WeakPolarHBondContact O-CB 3.34Å; A122-S126 PolarHBondContact O-N 2.64Å
123L96.5Very high94.7Very high2 Ų261.7 Ų61.71%0.0132%0.318CS..Hα-helixtrans-61.8-51.8175.8-73.5168.9000110.9I7 L67 L119 C120 K125 S126 V127 F136 I157 L158 Y162I7-L123 HydrophobicContact CD1-CD2 3.61Å; I7-L123 HydrophobicContact CG1-CD2 4.08Å; L67-L123 HydrophobicContact CD2-CD2 3.67Å; L67-L123 HydrophobicContact CD2-CG 3.85Å; L119-L123 WeakPolarHBondContact O-CB 3.39Å; L119-L123 VanDerWaalsContact O-CG 3.24Å; L119-L123 WeakPolarHBondContact O-CG 3.45Å; L119-L123 PolarHBondContact O-N 2.58Å; C120-L123 PolarHBondContact O-N 2.96Å; L123-K125 PolarHBondContact O-N 3.19Å; L123-S126 PolarHBondContact O-N 3.17Å; L123-V127 WeakPolarHBondContact O-CG2 3.2Å; L123-V127 PolarHBondContact O-N 3.38Å; L123-F136 HydrophobicContact CD2-CE1 4.38Å; L123-I157 HydrophobicContact CD1-CG2 3.84Å; L123-L158 HydrophobicContact CD1-CD2 3.89Å; L123-L158 HydrophobicContact CD2-CD2 3.86Å; L123-L158 HydrophobicContact CG-CD2 4.47Å; L123-Y162 HydrophobicContact CB-CE2 4.29Å
124R96.6Very high94.5Very high95 Ų9556 Ų5636%0.35830%0.296SS..Hα-helixtrans-52.8-50.9177.7-172.7-174.367.377.91.5112.1C120 E121 S126 V127 E128 Y162C120-R124 VanDerWaalsContact O-CB 3.28Å; C120-R124 WeakPolarHBondContact O-CB 3.41Å; C120-R124 PolarHBondContact O-N 3.28Å; E121-R124 IonicContact OE1-CZ 3.74Å; E121-R124 IonicContact OE1-NH2 3.83Å; E121-R124 PolarHBondContact OE1-NH2 3.01Å; E121-R124 IonicContact OE2-CZ 2.9Å; E121-R124 VanDerWaalsContact OE2-CZ 3.25Å; E121-R124 IonicContact OE2-NE 3.95Å; E121-R124 PolarHBondContact OE2-NE 3.37Å; E121-R124 IonicContact OE2-NH2 3.92Å; E121-R124 PolarHBondContact OE2-NH2 3.27Å; R124-S126 VanDerWaalsContact C-N 3.31Å; R124-S126 PolarHBondContact O-N 3.41Å; R124-V127 PolarHBondContact O-N 3Å; R124-E128 IonicContact CZ-OE1 2.64Å; R124-E128 IonicContact NH1-OE1 3.02Å; R124-E128 PolarHBondContact NH1-OE1 3.5Å; R124-E128 IonicContact NH1-OE2 3.1Å; R124-E128 PolarHBondContact NH1-OE2 3.05Å; R124-E128 WeakPolarHBondContact O-CB 3.42Å; R124-E128 WeakPolarHBondContact O-CG 3.36Å; R124-E128 PolarHBondContact O-N 3.48Å; R124-Y162 VanDerWaalsContact CA-OH 3.23Å; R124-Y162 WeakPolarHBondContact CA-OH 3.4Å; R124-Y162 PolarHBondContact N-OH 2.7Å
125K94.8Very high94.5Very high83 Ų8352 Ų5236%0.36127%0.272SS..Hα-helixtrans-60.3-39.1176.6-77.2178.4-1761550112.9Y92 E121 L123 L129Y92-K125 HydrophobicContact CE1-CB 3.7Å; E121-K125 WeakPolarHBondContact O-CB 3.41Å; E121-K125 WeakPolarHBondContact O-CG 3.38Å; E121-K125 PolarHBondContact O-N 3.05Å; E121-K125 WeakPolarHBondContact OE1-CE 3.39Å; E121-K125 IonicContact OE1-NZ 2.69Å; E121-K125 PolarHBondContact OE1-NZ 2.97Å; E121-K125 VanDerWaalsContact OE1-NZ 3.14Å; L123-K125 PolarHBondContact O-N 3.19Å; K125-L129 WeakPolarHBondContact O-CG 3.41Å; K125-L129 PolarHBondContact O-N 3.34Å
126S93.2Very high94.5Very high1 Ų150.7 Ų50.71%0.00727%0.266CS..Hα-helixtrans-69.7-38.4179.3-175.70000111.8V5 A122 L123 R124 L129 C130V5-S126 WeakPolarHBondContact CG1-OG 3.23Å; V5-S126 WeakPolarHBondContact CG2-OG 3.46Å; A122-S126 WeakPolarHBondContact O-CB 3.34Å; A122-S126 PolarHBondContact O-N 2.64Å; L123-S126 PolarHBondContact O-N 3.17Å; R124-S126 VanDerWaalsContact C-N 3.31Å; R124-S126 PolarHBondContact O-N 3.41Å; S126-L129 PolarHBondContact O-N 3.4Å; S126-C130 PolarHBondContact O-SG 2.98Å; S126-C130 VanDerWaalsContact O-SG 3.36Å
127V94.2Very high94.6Very high26 Ų2646.6 Ų46.616%0.15825%0.247CC..Hα-helixtrans-68.1-42.6177.1172.60000111.2L123 R124 L129 C130 L133 F136 Y162L123-V127 WeakPolarHBondContact O-CG2 3.2Å; L123-V127 PolarHBondContact O-N 3.38Å; R124-V127 PolarHBondContact O-N 3Å; V127-L129 PolarHBondContact O-N 3.46Å; V127-L129 VanDerWaalsContact O-N 3.14Å; V127-C130 VanDerWaalsContact O-CB 3.29Å; V127-C130 WeakPolarHBondContact O-CB 3.29Å; V127-C130 PolarHBondContact O-N 3.17Å; V127-L133 HydrophobicContact CB-CD2 4.36Å; V127-L133 HydrophobicContact CG1-CD2 3.84Å; V127-L133 HydrophobicContact CG2-CD2 3.79Å; V127-F136 HydrophobicContact CG2-CE1 3.76Å; V127-F136 HydrophobicContact CG2-CZ 3.6Å; V127-Y162 HydrophobicContact CB-CE1 4.21Å; V127-Y162 HydrophobicContact CG1-CE1 3.91Å; V127-Y162 HydrophobicContact CG2-CE1 3.94Å; V127-Y162 HydrophobicContact CG2-CE2 4.24Å
128E93.1Very high94.6Very high123 Ų12340 Ų4058%0.57521%0.212SC*.Hα-helixtrans-60.7-22.7177.7-76.7173.5178.700113.6R124 C130R124-E128 IonicContact CZ-OE1 2.64Å; R124-E128 IonicContact NH1-OE1 3.02Å; R124-E128 PolarHBondContact NH1-OE1 3.5Å; R124-E128 IonicContact NH1-OE2 3.1Å; R124-E128 PolarHBondContact NH1-OE2 3.05Å; R124-E128 WeakPolarHBondContact O-CB 3.42Å; R124-E128 WeakPolarHBondContact O-CG 3.36Å; R124-E128 PolarHBondContact O-N 3.48Å; E128-C130 VanDerWaalsContact C-N 3.3Å
129L89.3Confident94.7Very high83 Ų8337.8 Ų37.844%0.43519%0.194SC..THydrogen-bonded Turntrans-84.2-2.4174.2-65.5176.9000113.5M46 R65 Y92 K125 S126 V127M46-L129 HydrophobicContact CE-CD1 3.99Å; M46-L129 HydrophobicContact SD-CB 3.64Å; M46-L129 HydrophobicContact SD-CD1 3.53Å; M46-L129 VanDerWaalsContact SD-CD1 3.53Å; M46-L129 HydrophobicContact SD-CG 4.19Å; R65-L129 VanDerWaalsContact NH1-C 3.27Å; R65-L129 PolarHBondContact NH1-O 3.29Å; R65-L129 PolarHBondContact NH2-O 3.37Å; Y92-L129 WeakPolarHBondContact OH-CD1 3.42Å; K125-L129 WeakPolarHBondContact O-CG 3.41Å; K125-L129 PolarHBondContact O-N 3.34Å; S126-L129 PolarHBondContact O-N 3.4Å; V127-L129 PolarHBondContact O-N 3.46Å; V127-L129 VanDerWaalsContact O-N 3.14Å
130C90Very high94.7Very high17 Ų1737.8 Ų37.812%0.11519%0.193CC..  trans-96.5123.7175.7-57.90000109.2Q3 R65 S126 V127 E128 S132 L133Q3-C130 HydrophobicContact CB-CB 4.2Å; Q3-C130 VanDerWaalsContact OE1-C 3.3Å; Q3-C130 VanDerWaalsContact OE1-CA 3.25Å; R65-C130 PolarHBondContact NH1-SG 3.18Å; S126-C130 PolarHBondContact O-SG 2.98Å; S126-C130 VanDerWaalsContact O-SG 3.36Å; V127-C130 VanDerWaalsContact O-CB 3.29Å; V127-C130 WeakPolarHBondContact O-CB 3.29Å; V127-C130 PolarHBondContact O-N 3.17Å; E128-C130 VanDerWaalsContact C-N 3.3Å; C130-S132 VanDerWaalsContact C-N 3.3Å; C130-L133 HydrophobicContact CB-CB 4.09Å
131D89.5Confident94.7Very high154 Ų15437.2 Ų37.282%0.82419%0.19SC*.SBendtrans-68.2-34.5170.2-51-63.9000111.2Q3Q3-D131 PolarHBondContact NE2-OD2 3.15Å
132S90.2Very high94.7Very high60 Ų6033.9 Ų33.942%0.4218%0.175SC..SBendtrans-150.393.8179.1-1770000109.6Q3 C130Q3-S132 PolarHBondContact N-O 2.76Å; Q3-S132 PolarHBondContact OE1-O 3.1Å; C130-S132 VanDerWaalsContact C-N 3.3Å
133L93.2Very high94.7Very high36 Ų3633.9 Ų33.919%0.18818%0.175CC..EExtended strand (participates in β ladder)trans-72126175.9179.664000110.6V5 V127 C130 F136 V165V5-L133 HydrophobicContact CG2-CD1 3.88Å; V127-L133 HydrophobicContact CB-CD2 4.36Å; V127-L133 HydrophobicContact CG1-CD2 3.84Å; V127-L133 HydrophobicContact CG2-CD2 3.79Å; C130-L133 HydrophobicContact CB-CB 4.09Å; L133-F136 HydrophobicContact CD2-CE1 4.2Å; L133-F136 HydrophobicContact CD2-CE2 3.95Å; L133-F136 HydrophobicContact CD2-CZ 3.6Å; L133-V165 HydrophobicContact CD2-CB 4.5Å; L133-V165 HydrophobicContact CD2-CG1 3.83Å; L133-V165 HydrophobicContact CD2-CG2 3.99Å; L133-V165 HydrophobicContact CG-CG1 3.9Å
134Q92.2Very high94.6Very high6 Ų634.4 Ų34.43%0.02818%0.181CC..EExtended strand (participates in β ladder)trans-88.7-54.6178-161.6167.64.600112.1T2 Q3 D273 L274 N275T2-Q134 VanDerWaalsContact OG1-CD 3.28Å; T2-Q134 PolarHBondContact OG1-OE1 3.24Å; Q3-Q134 WeakPolarHBondContact O-CB 3.46Å; Q3-Q134 PolarHBondContact O-N 2.83Å; Q134-D273 PolarHBondContact NE2-OD1 2.93Å; Q134-D273 PolarHBondContact NE2-OD2 2.86Å; Q134-L274 VanDerWaalsContact NE2-N 3.1Å; Q134-N275 PolarHBondContact O-ND2 3.16Å; Q134-N275 PolarHBondContact O-OD1 2.98Å
135C95Very high94.5Very high0 Ų030 Ų300%017%0.165CC..EExtended strand (participates in β ladder)trans-166.5161.2-168.858.90000111.2S4 V5 Y166 M168S4-C135 WeakPolarHBondContact CA-O 3.3Å; S4-C135 PolarHBondContact OG-SG 3.13Å; S4-C135 VanDerWaalsContact OG-SG 3.36Å; V5-C135 PolarHBondContact N-O 3.38Å; C135-Y166 CarbonylContact C-O 3.58Å; C135-Y166 WeakPolarHBondContact CA-O 3.38Å; C135-Y166 VanDerWaalsContact CB-O 3.28Å; C135-Y166 WeakPolarHBondContact CB-O 3.46Å; C135-M168 HydrophobicContact CB-CG 4.36Å
136F97.3Very high94.6Very high0 Ų026.7 Ų26.70%015%0.151CC..EExtended strand (participates in β ladder)trans-99.6138.8166.7-61.9-80.4000109.7V5 I7 L123 V127 L133 L158 Y162 V165 Y166 M168V5-F136 HydrophobicContact CB-CD1 3.8Å; V5-F136 HydrophobicContact CB-CE1 4.06Å; V5-F136 HydrophobicContact CG1-CD1 4.15Å; V5-F136 HydrophobicContact CG1-CE1 4.35Å; V5-F136 HydrophobicContact CG2-CE1 4.43Å; V5-F136 WeakPolarHBondContact O-CA 3.36Å; I7-F136 HydrophobicContact CD1-CB 4.33Å; I7-F136 HydrophobicContact CD1-CD1 4Å; I7-F136 HydrophobicContact CD1-CG 4.47Å; L123-F136 HydrophobicContact CD2-CE1 4.38Å; V127-F136 HydrophobicContact CG2-CE1 3.76Å; V127-F136 HydrophobicContact CG2-CZ 3.6Å; L133-F136 HydrophobicContact CD2-CE1 4.2Å; L133-F136 HydrophobicContact CD2-CE2 3.95Å; L133-F136 HydrophobicContact CD2-CZ 3.6Å; F136-L158 HydrophobicContact CB-CD1 3.94Å; F136-L158 HydrophobicContact CD1-CD2 3.88Å; F136-L158 HydrophobicContact CD2-CD1 4.33Å; F136-L158 HydrophobicContact CD2-CD2 3.86Å; F136-L158 HydrophobicContact CE1-CD2 3.87Å; F136-L158 HydrophobicContact CE2-CD2 3.84Å; F136-L158 HydrophobicContact CG-CD1 4.05Å; F136-L158 HydrophobicContact CG-CD2 3.87Å; F136-L158 HydrophobicContact CZ-CD2 3.83Å; F136-Y162 AromaticContact CE2-CD2 3.93Å; F136-Y162 HydrophobicContact CE2-CD2 3.93Å; F136-Y162 AromaticContact CE2-CG 3.91Å; F136-Y162 HydrophobicContact CE2-CG 3.91Å; F136-Y162 HydrophobicContact CZ-CD1 4.5Å; F136-Y162 AromaticContact CZ-CD2 3.7Å; F136-Y162 HydrophobicContact CZ-CD2 3.7Å; F136-Y162 HydrophobicContact CZ-CE2 4.12Å; F136-Y162 AromaticContact CZ-CG 3.91Å; F136-Y162 HydrophobicContact CZ-CG 3.91Å; F136-V165 HydrophobicContact CD2-CB 4.26Å; F136-V165 HydrophobicContact CD2-CG1 3.61Å; F136-V165 HydrophobicContact CE2-CB 3.87Å; F136-V165 HydrophobicContact CE2-CG1 3.5Å; F136-V165 HydrophobicContact CE2-CG2 4.49Å; F136-V165 HydrophobicContact CZ-CG1 4.49Å; F136-Y166 PolarHBondContact N-O 3.11Å; F136-M168 WeakPolarHBondContact O-CB 3.4Å; F136-M168 PolarHBondContact O-N 2.84Å
137F98Very high94.8Very high0 Ų026.7 Ų26.70%015%0.152CC..EExtended strand (participates in β ladder)trans-104.1121.2164.8-76.2-80.5000109V5 F6 I7 L139 M168 I170 L257 L260 T261 L274V5-F137 PolarHBondContact O-N 3.35Å; F6-F137 CarbonylContact C-O 3.41Å; F6-F137 HydrophobicContact CD1-CB 3.5Å; F6-F137 VanDerWaalsContact CD1-CB 3.5Å; F6-F137 HydrophobicContact CD1-CD2 4.17Å; F6-F137 AromaticContact CD1-CG 3.98Å; F6-F137 HydrophobicContact CD1-CG 3.98Å; F6-F137 HydrophobicContact CD2-CD2 4.27Å; F6-F137 HydrophobicContact CE1-CB 3.67Å; F6-F137 HydrophobicContact CE1-CD1 4.28Å; F6-F137 AromaticContact CE1-CD2 3.64Å; F6-F137 HydrophobicContact CE1-CD2 3.64Å; F6-F137 HydrophobicContact CE1-CE2 4.35Å; F6-F137 AromaticContact CE1-CG 3.59Å; F6-F137 HydrophobicContact CE1-CG 3.59Å; F6-F137 AromaticContact CE2-CD2 3.74Å; F6-F137 HydrophobicContact CE2-CD2 3.74Å; F6-F137 HydrophobicContact CE2-CE2 4.26Å; F6-F137 HydrophobicContact CE2-CG 4.48Å; F6-F137 HydrophobicContact CG-CB 4Å; F6-F137 HydrophobicContact CG-CD2 4.46Å; F6-F137 HydrophobicContact CZ-CB 4.29Å; F6-F137 AromaticContact CZ-CD2 3.38Å; F6-F137 HydrophobicContact CZ-CD2 3.38Å; F6-F137 AromaticContact CZ-CE2 3.81Å; F6-F137 HydrophobicContact CZ-CE2 3.81Å; F6-F137 AromaticContact CZ-CG 3.87Å; F6-F137 HydrophobicContact CZ-CG 3.87Å; I7-F137 PolarHBondContact N-O 3.23Å; F137-L139 HydrophobicContact CB-CD2 4.44Å; F137-M168 CarbonylContact C-O 3.58Å; F137-M168 WeakPolarHBondContact CA-O 2.97Å; F137-M168 HydrophobicContact CD1-CB 3.61Å; F137-M168 HydrophobicContact CD1-CG 4.43Å; F137-M168 HydrophobicContact CE1-CB 3.64Å; F137-M168 HydrophobicContact CE1-CG 4.05Å; F137-M168 HydrophobicContact CG-CB 4.34Å; F137-M168 HydrophobicContact CZ-CB 4.41Å; F137-M168 HydrophobicContact CZ-CG 4.4Å; F137-I170 HydrophobicContact CD1-CD1 4.34Å; F137-I170 HydrophobicContact CD1-CG1 4.29Å; F137-L257 HydrophobicContact CD1-CD2 4.47Å; F137-L260 HydrophobicContact CE1-CD2 3.76Å; F137-L260 HydrophobicContact CZ-CD2 4.23Å; F137-T261 HydrophobicContact CE2-CG2 3.93Å; F137-T261 HydrophobicContact CZ-CG2 3.7Å; F137-L274 HydrophobicContact CE2-CD1 4Å; F137-L274 HydrophobicContact CZ-CD1 3.89Å
138V98.5Very high95Very high0 Ų025.5 Ų25.50%014%0.144CC..EExtended strand (participates in β ladder)trans-103.4116.8172.3-177.40000108.1I7 V9 L155 L158 M168 I170I7-V138 HydrophobicContact CD1-CG2 4.19Å; V9-V138 HydrophobicContact CG2-CG1 4.42Å; V138-L155 HydrophobicContact CB-CD2 4.17Å; V138-L155 HydrophobicContact CG2-CD2 3.72Å; V138-L155 HydrophobicContact CG2-CG 4.42Å; V138-L158 HydrophobicContact CG2-CD1 3.84Å; V138-M168 PolarHBondContact N-O 3.36Å; V138-I170 WeakPolarHBondContact O-CB 3.48Å; V138-I170 PolarHBondContact O-N 3.39Å
139L98.6Very high95.3Very high0 Ų019.6 Ų19.60%012%0.117CC..EExtended strand (participates in β ladder)trans-106.5114.7179.2-47.6-173.7000108.4F6 I7 Q8 V9 G13 I16 F137 I170 L257F6-L139 HydrophobicContact CD1-CD1 4.26Å; I7-L139 PolarHBondContact O-N 2.87Å; Q8-L139 HydrophobicContact CG-CD1 4.33Å; V9-L139 PolarHBondContact N-O 3.23Å; G13-L139 VanDerWaalsContact CA-O 3.22Å; G13-L139 WeakPolarHBondContact CA-O 3.4Å; I16-L139 HydrophobicContact CG2-CD1 4.25Å; F137-L139 HydrophobicContact CB-CD2 4.44Å; L139-I170 HydrophobicContact CD2-CB 3.52Å; L139-I170 HydrophobicContact CD2-CG1 3.38Å; L139-I170 HydrophobicContact CD2-CG2 4.07Å; L139-L257 HydrophobicContact CD1-CD1 4.12Å; L139-L257 HydrophobicContact CD2-CD1 3.95Å; L139-L257 HydrophobicContact CD2-CD2 4.4Å
140H98.4Very high95.7Very high0 Ų015.7 Ų15.70%010%0.097CC..EExtended strand (participates in β ladder)trans-156.5170.3-176.478.3133.9000112.9V9 M142 G147 D169 I170 V172V9-H140 HydrophobicContact CB-CB 4.08Å; H140-M142 PolarHBondContact CE1-SD 3.48Å; H140-G147 WeakPolarHBondContact CB-O 3.04Å; H140-G147 PolarHBondContact ND1-O 3.42Å; H140-D169 IonicContact CD2-OD1 2.77Å; H140-D169 PolarHBondContact CD2-OD1 3.32Å; H140-D169 IonicContact NE2-OD1 3.91Å; H140-D169 PolarHBondContact NE2-OD1 2.84Å; H140-D169 VanDerWaalsContact NE2-OD1 3.09Å; H140-D169 IonicContact NE2-OD2 2.75Å; H140-D169 PolarHBondContact NE2-OD2 2.98Å; H140-I170 PolarHBondContact N-O 3.16Å; H140-V172 PolarHBondContact O-N 3.36Å
141S97.4Very high96.1Very high22 Ų2214.9 Ų14.915%0.1549%0.091CC..EExtended strand (participates in β ladder)trans-110.1141.8174.161.10000110.9G147 S148 V172S141-G147 CarbonylContact O-C 3.49Å; S141-S148 VanDerWaalsContact O-CA 3.28Å; S141-S148 WeakPolarHBondContact O-CA 3.38Å; S141-S148 WeakPolarHBondContact O-CB 3.42Å; S141-S148 PolarHBondContact O-N 3.05Å; S141-V172 CarbonylContact C-O 3.59Å; S141-V172 WeakPolarHBondContact CA-O 3.45Å
142M97.3Very high96.5Very high0 Ų07.6 Ų7.60%05%0.052CC..SBendtrans-82.1-21-179.4-59.4-61.8-86.100113.1H140 S148 A171 V172 F173 N186 T187 A190 L191H140-M142 PolarHBondContact CE1-SD 3.48Å; M142-S148 WeakPolarHBondContact O-CB 3.39Å; M142-A171 HydrophobicContact CG-CB 3.94Å; M142-A171 HydrophobicContact SD-CB 3.86Å; M142-V172 PolarHBondContact N-O 2.99Å; M142-F173 HydrophobicContact CG-CD2 4.36Å; M142-F173 HydrophobicContact CG-CE2 4.25Å; M142-F173 HydrophobicContact CG-CZ 4.38Å; M142-N186 CarbonylContact O-C 3.53Å; M142-N186 WeakPolarHBondContact O-CB 3.45Å; M142-T187 HydrophobicContact CB-CG2 3.97Å; M142-T187 WeakPolarHBondContact O-CA 3.23Å; M142-T187 PolarHBondContact O-N 3.34Å; M142-T187 PolarHBondContact O-OG1 2.9Å; M142-A190 HydrophobicContact CE-CB 3.52Å; M142-A190 HydrophobicContact SD-CB 3.87Å; M142-L191 HydrophobicContact CE-CB 4.3Å; M142-L191 HydrophobicContact CE-CD2 3.95Å; M142-L191 HydrophobicContact CE-CG 3.71Å
143G94.5Very high96.9Very high4 Ų45.6 Ų5.64%0.0414%0.036CC..SBendtrans-88-28-176.100000115.3N186G143-N186 PolarHBondContact O-ND2 3.39Å
144G94.3Very high97.1Very high13 Ų133.9 Ų3.913%0.1343%0.027CC..SBendtrans-76.9-175.1-17700000113.5S148 N186G144-S148 WeakPolarHBondContact O-CB 3.47Å; G144-S148 PolarHBondContact O-OG 2.85Å; G144-N186 PolarHBondContact O-ND2 3.14Å
145G95.7Very high97.4Very high2 Ų23.6 Ų3.62%0.0213%0.026CC..SBendtrans-92.8-51.3174.900000112.9G149G145-G149 WeakPolarHBondContact O-CA 3.28Å; G145-G149 PolarHBondContact O-N 3Å
146T97.4Very high97.6Very high13 Ų137.9 Ų7.98%0.085%0.045CC..Iπ-helixtrans-70.5-52.4-179.9-54.20000111.7V9 M71 S100 S148 V150 G151V9-T146 HydrophobicContact CG1-CG2 4.26Å; M71-T146 HydrophobicContact CB-CG2 4.25Å; M71-T146 HydrophobicContact CG-CG2 3.81Å; S100-T146 WeakPolarHBondContact CB-OG1 3.31Å; S100-T146 PolarHBondContact OG-OG1 3.03Å; T146-S148 PolarHBondContact O-N 2.86Å; T146-V150 HydrophobicContact CG2-CB 4.29Å; T146-V150 HydrophobicContact CG2-CG2 4.09Å; T146-V150 WeakPolarHBondContact O-CA 3.46Å; T146-V150 VanDerWaalsContact O-CB 3.25Å; T146-V150 WeakPolarHBondContact O-CB 3.5Å; T146-V150 PolarHBondContact O-N 3.27Å; T146-G151 PolarHBondContact O-N 3.17Å
147G97.4Very high97.6Very high2 Ų28.3 Ų8.32%0.0215%0.047CC..Iπ-helixtrans-55.2-51.1179.700000111.6H140 S141 G151H140-G147 WeakPolarHBondContact CB-O 3.04Å; H140-G147 PolarHBondContact ND1-O 3.42Å; S141-G147 CarbonylContact O-C 3.49Å; G147-G151 WeakPolarHBondContact O-CA 3.27Å; G147-G151 PolarHBondContact O-N 3.38Å
148S97.8Very high97.6Very high0 Ų08.3 Ų8.30%05%0.047CC..Iπ-helixtrans-74.4-48.6-176.174.30000111.4W104 S141 M142 G144 T146 T152W104-S148 VanDerWaalsContact CD1-C 3.49Å; W104-S148 PolarHBondContact NE1-O 3.27Å; S141-S148 VanDerWaalsContact O-CA 3.28Å; S141-S148 WeakPolarHBondContact O-CA 3.38Å; S141-S148 WeakPolarHBondContact O-CB 3.42Å; S141-S148 PolarHBondContact O-N 3.05Å; M142-S148 WeakPolarHBondContact O-CB 3.39Å; G144-S148 WeakPolarHBondContact O-CB 3.47Å; G144-S148 PolarHBondContact O-OG 2.85Å; T146-S148 PolarHBondContact O-N 2.86Å; S148-T152 WeakPolarHBondContact O-CB 3.41Å; S148-T152 VanDerWaalsContact O-CG2 3.26Å; S148-T152 WeakPolarHBondContact O-CG2 3.27Å; S148-T152 PolarHBondContact O-N 2.79Å; S148-T152 PolarHBondContact O-OG1 2.77Å
149G98.2Very high97.6Very high0 Ų09.5 Ų9.50%06%0.056CC..Iπ-helixtrans-77.3-57.2-172.400000113.3W104 N108 G145 G151 T152 H153W104-G149 VanDerWaalsContact CD1-CA 3.47Å; N108-G149 WeakPolarHBondContact CA-O 3.33Å; N108-G149 WeakPolarHBondContact CB-O 3.36Å; N108-G149 PolarHBondContact ND2-O 2.78Å; G145-G149 WeakPolarHBondContact O-CA 3.28Å; G145-G149 PolarHBondContact O-N 3Å; G149-G151 VanDerWaalsContact C-N 3.31Å; G149-T152 PolarHBondContact O-OG1 3.2Å; G149-H153 WeakPolarHBondContact O-CB 3.44Å; G149-H153 PolarHBondContact O-N 3.1Å; G149-H153 VanDerWaalsContact O-N 3.08Å
150V98.3Very high97.5Very high1 Ų114.4 Ų14.41%0.0068%0.082CC..Iπ-helixtrans-67.3-36.9177.5-176.40000109.9V9 V69 M71 G107 T146 T152 H153 I154V9-V150 HydrophobicContact CG1-CB 4.08Å; V9-V150 HydrophobicContact CG1-CG1 4.24Å; V69-V150 HydrophobicContact CG1-CG1 3.9Å; M71-V150 HydrophobicContact CG-CG2 3.97Å; M71-V150 HydrophobicContact SD-CG2 4.45Å; G107-V150 VanDerWaalsContact O-CG2 3.27Å; G107-V150 WeakPolarHBondContact O-CG2 3.46Å; T146-V150 HydrophobicContact CG2-CB 4.29Å; T146-V150 HydrophobicContact CG2-CG2 4.09Å; T146-V150 WeakPolarHBondContact O-CA 3.46Å; T146-V150 VanDerWaalsContact O-CB 3.25Å; T146-V150 WeakPolarHBondContact O-CB 3.5Å; T146-V150 PolarHBondContact O-N 3.27Å; V150-T152 PolarHBondContact O-N 2.66Å; V150-H153 WeakPolarHBondContact O-CB 3.39Å; V150-H153 PolarHBondContact O-N 3.41Å; V150-I154 HydrophobicContact CG1-CD1 3.97Å; V150-I154 HydrophobicContact CG1-CG1 4.38Å; V150-I154 WeakPolarHBondContact O-CG1 3.44Å; V150-I154 PolarHBondContact O-N 2.99Å
151G98.3Very high97.5Very high0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-60.5-45.9178.600000112.6T146 G147 G149 H153 I154 L155T146-G151 PolarHBondContact O-N 3.17Å; G147-G151 WeakPolarHBondContact O-CA 3.27Å; G147-G151 PolarHBondContact O-N 3.38Å; G149-G151 VanDerWaalsContact C-N 3.31Å; G151-H153 VanDerWaalsContact C-N 3.34Å; G151-I154 WeakPolarHBondContact O-CB 3.39Å; G151-I154 PolarHBondContact O-N 2.94Å; G151-L155 PolarHBondContact O-N 2.66Å
152T98.4Very high97.5Very high0 Ų021 Ų210%011%0.11CC..Hα-helixtrans-73.9-26.2176.461.40000113.5W104 N108 S148 G149 V150 I154 L155 K156 A190 Q193W104-T152 PolarHBondContact NE1-OG1 3.1Å; N108-T152 PolarHBondContact ND2-OG1 2.87Å; N108-T152 VanDerWaalsContact ND2-OG1 3.11Å; S148-T152 WeakPolarHBondContact O-CB 3.41Å; S148-T152 VanDerWaalsContact O-CG2 3.26Å; S148-T152 WeakPolarHBondContact O-CG2 3.27Å; S148-T152 PolarHBondContact O-N 2.79Å; S148-T152 PolarHBondContact O-OG1 2.77Å; G149-T152 PolarHBondContact O-OG1 3.2Å; V150-T152 PolarHBondContact O-N 2.66Å; T152-I154 VanDerWaalsContact C-N 3.33Å; T152-L155 HydrophobicContact CG2-CD1 4.44Å; T152-L155 PolarHBondContact O-N 2.87Å; T152-K156 PolarHBondContact O-N 3.45Å; T152-K156 VanDerWaalsContact O-N 3.16Å; T152-A190 HydrophobicContact CG2-CB 3.85Å; T152-Q193 HydrophobicContact CG2-CB 3.89Å
153H98.4Very high97.4Very high18 Ų1824.9 Ų24.98%0.08314%0.135CC..Hα-helixtrans-64.3-40.4169.6-168.496.1000111.2N108 G112 G149 V150 G151 K156 I157N108-H153 PolarHBondContact ND2-N 3.42Å; N108-H153 PolarHBondContact O-ND1 2.98Å; G112-H153 PolarHBondContact O-NE2 2.84Å; G149-H153 WeakPolarHBondContact O-CB 3.44Å; G149-H153 PolarHBondContact O-N 3.1Å; G149-H153 VanDerWaalsContact O-N 3.08Å; V150-H153 WeakPolarHBondContact O-CB 3.39Å; V150-H153 PolarHBondContact O-N 3.41Å; G151-H153 VanDerWaalsContact C-N 3.34Å; H153-K156 WeakPolarHBondContact O-CB 3.13Å; H153-K156 PolarHBondContact O-N 3.48Å; H153-I157 PolarHBondContact O-N 3.25Å
154I98.6Very high97.4Very high1 Ų132.1 Ų32.11%0.00517%0.173CC..Hα-helixtrans-63.9-43174.3-70.8164.6000110.9I7 V9 V69 L119 V150 G151 T152 K156 I157 L158I7-I154 HydrophobicContact CD1-CG2 4.08Å; I7-I154 HydrophobicContact CG2-CD1 4.07Å; I7-I154 HydrophobicContact CG2-CG2 4.14Å; V9-I154 HydrophobicContact CG1-CD1 4.42Å; V9-I154 HydrophobicContact CG2-CD1 3.72Å; V69-I154 HydrophobicContact CB-CD1 4.48Å; V69-I154 HydrophobicContact CG1-CD1 4.35Å; V69-I154 HydrophobicContact CG2-CD1 4.17Å; L119-I154 HydrophobicContact CD1-CG1 4.07Å; L119-I154 HydrophobicContact CD2-CD1 3.83Å; L119-I154 HydrophobicContact CD2-CG1 3.96Å; V150-I154 HydrophobicContact CG1-CD1 3.97Å; V150-I154 HydrophobicContact CG1-CG1 4.38Å; V150-I154 WeakPolarHBondContact O-CG1 3.44Å; V150-I154 PolarHBondContact O-N 2.99Å; G151-I154 WeakPolarHBondContact O-CB 3.39Å; G151-I154 PolarHBondContact O-N 2.94Å; T152-I154 VanDerWaalsContact C-N 3.33Å; I154-K156 PolarHBondContact O-N 2.98Å; I154-I157 PolarHBondContact O-N 3.31Å; I154-I157 VanDerWaalsContact O-N 3.09Å; I154-L158 HydrophobicContact CG2-CD1 4.07Å; I154-L158 HydrophobicContact CG2-CG 4.19Å; I154-L158 WeakPolarHBondContact O-CG 3.29Å; I154-L158 PolarHBondContact O-N 2.9Å
155L98.5Very high97.5Very high0 Ų032.7 Ų32.70%017%0.173CC..Hα-helixtrans-54.8-42.6175.3-74.6172.9000111.5V138 G151 T152 L158 A159 K167 D169 F197 A198V138-L155 HydrophobicContact CB-CD2 4.17Å; V138-L155 HydrophobicContact CG2-CD2 3.72Å; V138-L155 HydrophobicContact CG2-CG 4.42Å; G151-L155 PolarHBondContact O-N 2.66Å; T152-L155 HydrophobicContact CG2-CD1 4.44Å; T152-L155 PolarHBondContact O-N 2.87Å; L155-L158 PolarHBondContact O-N 3.49Å; L155-A159 WeakPolarHBondContact O-CB 3.06Å; L155-A159 PolarHBondContact O-N 3.3Å; L155-K167 HydrophobicContact CD2-CB 4.18Å; L155-D169 HydrophobicContact CD2-CB 4.49Å; L155-F197 HydrophobicContact CB-CB 4Å; L155-A198 HydrophobicContact CD2-CB 4.48Å
156K98.1Very high97.5Very high90 Ų9035 Ų3539%0.39118%0.182SC..Hα-helixtrans-60.9-48.8173.7-177.4-179.8177.2-1790112.5T152 H153 I154 L158 A159 D160 F197T152-K156 PolarHBondContact O-N 3.45Å; T152-K156 VanDerWaalsContact O-N 3.16Å; H153-K156 WeakPolarHBondContact O-CB 3.13Å; H153-K156 PolarHBondContact O-N 3.48Å; I154-K156 PolarHBondContact O-N 2.98Å; K156-L158 VanDerWaalsContact C-N 3.26Å; K156-L158 PolarHBondContact O-N 3.48Å; K156-A159 WeakPolarHBondContact O-CB 3.29Å; K156-A159 PolarHBondContact O-N 2.87Å; K156-A159 VanDerWaalsContact O-N 3.12Å; K156-D160 PolarHBondContact O-N 3.1Å; K156-F197 HydrophobicContact CB-CD2 3.91Å; K156-F197 HydrophobicContact CB-CE2 3.81Å; K156-F197 HydrophobicContact CB-CG 4.33Å; K156-F197 HydrophobicContact CB-CZ 4.14Å; K156-F197 HydrophobicContact CD-CE2 4.28Å; K156-F197 HydrophobicContact CD-CZ 4.11Å; K156-F197 HydrophobicContact CG-CD2 4.48Å; K156-F197 HydrophobicContact CG-CE1 4.15Å; K156-F197 HydrophobicContact CG-CE2 4Å; K156-F197 HydrophobicContact CG-CZ 3.83Å
157I98.3Very high97.5Very high9 Ų934.6 Ų34.65%0.04618%0.179CC..Hα-helixtrans-55.5-43.9176.1-67.5170.6000110.7Q116 L119 L123 H153 I154 D160 E161Q116-I157 HydrophobicContact CG-CD1 4.4Å; L119-I157 HydrophobicContact CB-CD1 4.02Å; L119-I157 HydrophobicContact CD1-CD1 4.14Å; L123-I157 HydrophobicContact CD1-CG2 3.84Å; H153-I157 PolarHBondContact O-N 3.25Å; I154-I157 PolarHBondContact O-N 3.31Å; I154-I157 VanDerWaalsContact O-N 3.09Å; I157-D160 PolarHBondContact O-N 3.41Å; I157-E161 HydrophobicContact CG2-CG 4.17Å; I157-E161 WeakPolarHBondContact O-CB 3.41Å; I157-E161 WeakPolarHBondContact O-CG 3.18Å; I157-E161 PolarHBondContact O-N 2.75Å
158L98.3Very high97.4Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-65-38.8178.7-65.8174.7000112.3I7 L123 F136 V138 I154 L155 K156 Y162 K167I7-L158 HydrophobicContact CD1-CD1 3.72Å; I7-L158 HydrophobicContact CD1-CD2 4.14Å; I7-L158 HydrophobicContact CD1-CG 4.41Å; L123-L158 HydrophobicContact CD1-CD2 3.89Å; L123-L158 HydrophobicContact CD2-CD2 3.86Å; L123-L158 HydrophobicContact CG-CD2 4.47Å; F136-L158 HydrophobicContact CB-CD1 3.94Å; F136-L158 HydrophobicContact CD1-CD2 3.88Å; F136-L158 HydrophobicContact CD2-CD1 4.33Å; F136-L158 HydrophobicContact CD2-CD2 3.86Å; F136-L158 HydrophobicContact CE1-CD2 3.87Å; F136-L158 HydrophobicContact CE2-CD2 3.84Å; F136-L158 HydrophobicContact CG-CD1 4.05Å; F136-L158 HydrophobicContact CG-CD2 3.87Å; F136-L158 HydrophobicContact CZ-CD2 3.83Å; V138-L158 HydrophobicContact CG2-CD1 3.84Å; I154-L158 HydrophobicContact CG2-CD1 4.07Å; I154-L158 HydrophobicContact CG2-CG 4.19Å; I154-L158 WeakPolarHBondContact O-CG 3.29Å; I154-L158 PolarHBondContact O-N 2.9Å; L155-L158 PolarHBondContact O-N 3.49Å; K156-L158 VanDerWaalsContact C-N 3.26Å; K156-L158 PolarHBondContact O-N 3.48Å; L158-Y162 HydrophobicContact CD2-CD2 4.06Å; L158-Y162 CarbonylContact O-C 3.48Å; L158-Y162 VanDerWaalsContact O-C 3.29Å; L158-Y162 WeakPolarHBondContact O-CA 3.24Å; L158-Y162 WeakPolarHBondContact O-CB 3.23Å; L158-Y162 PolarHBondContact O-N 3.32Å; L158-K167 HydrophobicContact CB-CD 4.28Å; L158-K167 HydrophobicContact CB-CG 3.83Å; L158-K167 HydrophobicContact CD1-CG 4.04Å; L158-K167 VanDerWaalsContact O-CE 3.24Å; L158-K167 WeakPolarHBondContact O-CE 3.22Å; L158-K167 PolarHBondContact O-NZ 2.95Å
159A97.5Very high97.5Very high24 Ų2434.6 Ų34.620%0.19818%0.179CC..Hα-helixtrans-65-40.7176.500000111.7L155 K156 F197L155-A159 WeakPolarHBondContact O-CB 3.06Å; L155-A159 PolarHBondContact O-N 3.3Å; K156-A159 WeakPolarHBondContact O-CB 3.29Å; K156-A159 PolarHBondContact O-N 2.87Å; K156-A159 VanDerWaalsContact O-N 3.12Å; A159-F197 HydrophobicContact CB-CB 4.14Å; A159-F197 HydrophobicContact CB-CD1 3.72Å; A159-F197 HydrophobicContact CB-CG 4.28Å
160D97.5Very high97.5Very high103 Ų10334.7 Ų34.755%0.55118%0.179SC*.Hα-helixtrans-74.3-47.1-179.1-68.8-21.2000112.3K156 I157K156-D160 PolarHBondContact O-N 3.1Å; I157-D160 PolarHBondContact O-N 3.41Å
161E97.3Very high97.4Very high121 Ų12134.6 Ų34.657%0.56518%0.179SC*.Hα-helixtrans-87.5-28.3-173.3-64.2-66142.200113.8I157 P163I157-E161 HydrophobicContact CG2-CG 4.17Å; I157-E161 WeakPolarHBondContact O-CB 3.41Å; I157-E161 WeakPolarHBondContact O-CG 3.18Å; I157-E161 PolarHBondContact O-N 2.75Å; E161-P163 VanDerWaalsContact C-CD 3.45Å
162Y97.1Very high97.4Very high40 Ų4034.7 Ų34.716%0.15718%0.179CC..  trans-130.757.9-176.9-54.2-73.2000111.8L123 R124 V127 F136 L158 D164 V165 K167L123-Y162 HydrophobicContact CB-CE2 4.29Å; R124-Y162 VanDerWaalsContact CA-OH 3.23Å; R124-Y162 WeakPolarHBondContact CA-OH 3.4Å; R124-Y162 PolarHBondContact N-OH 2.7Å; V127-Y162 HydrophobicContact CB-CE1 4.21Å; V127-Y162 HydrophobicContact CG1-CE1 3.91Å; V127-Y162 HydrophobicContact CG2-CE1 3.94Å; V127-Y162 HydrophobicContact CG2-CE2 4.24Å; F136-Y162 AromaticContact CE2-CD2 3.93Å; F136-Y162 HydrophobicContact CE2-CD2 3.93Å; F136-Y162 AromaticContact CE2-CG 3.91Å; F136-Y162 HydrophobicContact CE2-CG 3.91Å; F136-Y162 HydrophobicContact CZ-CD1 4.5Å; F136-Y162 AromaticContact CZ-CD2 3.7Å; F136-Y162 HydrophobicContact CZ-CD2 3.7Å; F136-Y162 HydrophobicContact CZ-CE2 4.12Å; F136-Y162 AromaticContact CZ-CG 3.91Å; F136-Y162 HydrophobicContact CZ-CG 3.91Å; L158-Y162 HydrophobicContact CD2-CD2 4.06Å; L158-Y162 CarbonylContact O-C 3.48Å; L158-Y162 VanDerWaalsContact O-C 3.29Å; L158-Y162 WeakPolarHBondContact O-CA 3.24Å; L158-Y162 WeakPolarHBondContact O-CB 3.23Å; L158-Y162 PolarHBondContact O-N 3.32Å; Y162-D164 PolarHBondContact O-N 3.45Å; Y162-V165 PolarHBondContact O-N 2.8Å; Y162-V165 VanDerWaalsContact O-N 3.14Å; Y162-K167 WeakPolarHBondContact O-CE 3.07Å; Y162-K167 PolarHBondContact O-NZ 3.43Å
163P96Very high97.4Very high82 Ų8235 Ų3553%0.53218%0.18SC..THydrogen-bonded Turntrans-58.1-35.1-173.722.9-34.4000113.2E161 V165 K167E161-P163 VanDerWaalsContact C-CD 3.45Å; P163-V165 VanDerWaalsContact C-N 3.32Å; P163-V165 PolarHBondContact O-N 3.43Å; P163-K167 PolarHBondContact O-NZ 3.19Å
164D94.4Very high97.2Very high156 Ų15634.9 Ų34.983%0.83418%0.181SC*.THydrogen-bonded Turntrans-83-2.2-176.6-59.4-45.3000114.7Y162Y162-D164 PolarHBondContact O-N 3.45Å
165V95.6Very high96.8Very high25 Ų2536.3 Ų36.315%0.15219%0.191CC..SBendtrans-105.1134.7-178.3-177.70000109.8L133 F136 Y162 P163 K167L133-V165 HydrophobicContact CD2-CB 4.5Å; L133-V165 HydrophobicContact CD2-CG1 3.83Å; L133-V165 HydrophobicContact CD2-CG2 3.99Å; L133-V165 HydrophobicContact CG-CG1 3.9Å; F136-V165 HydrophobicContact CD2-CB 4.26Å; F136-V165 HydrophobicContact CD2-CG1 3.61Å; F136-V165 HydrophobicContact CE2-CB 3.87Å; F136-V165 HydrophobicContact CE2-CG1 3.5Å; F136-V165 HydrophobicContact CE2-CG2 4.49Å; F136-V165 HydrophobicContact CZ-CG1 4.49Å; Y162-V165 PolarHBondContact O-N 2.8Å; Y162-V165 VanDerWaalsContact O-N 3.14Å; P163-V165 VanDerWaalsContact C-N 3.32Å; P163-V165 PolarHBondContact O-N 3.43Å; V165-K167 WeakPolarHBondContact O-CE 3.24Å; V165-K167 PolarHBondContact O-NZ 3.45Å
166Y95.6Very high96.2Very high49 Ų4939.1 Ų39.119%0.19221%0.208CC..EExtended strand (participates in β ladder)trans-69.4135.4-178-78.2-97.7000112.7C135 F136 D199 N275 S278 M279C135-Y166 CarbonylContact C-O 3.58Å; C135-Y166 WeakPolarHBondContact CA-O 3.38Å; C135-Y166 VanDerWaalsContact CB-O 3.28Å; C135-Y166 WeakPolarHBondContact CB-O 3.46Å; F136-Y166 PolarHBondContact N-O 3.11Å; Y166-D199 VanDerWaalsContact CA-OD2 3.25Å; Y166-D199 WeakPolarHBondContact CA-OD2 3.23Å; Y166-D199 HydrophobicContact CD1-CB 3.65Å; Y166-D199 HydrophobicContact CE1-CB 4.23Å; Y166-N275 HydrophobicContact CD2-CB 3.77Å; Y166-N275 WeakPolarHBondContact CD2-OD1 3.49Å; Y166-N275 HydrophobicContact CE2-CB 3.76Å; Y166-N275 HydrophobicContact CG-CB 4.31Å; Y166-S278 VanDerWaalsContact CE1-CB 3.43Å; Y166-M279 HydrophobicContact CE2-CE 4Å; Y166-M279 WeakPolarHBondContact OH-CE 3.41Å; Y166-M279 WeakPolarHBondContact OH-CG 3.42Å
167K97.1Very high95.4Very high6 Ų641.8 Ų41.83%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-104.2104.7171.1-59.599.4-156.6171.20110.3L155 L158 Y162 P163 V165 D199 C200L155-K167 HydrophobicContact CD2-CB 4.18Å; L158-K167 HydrophobicContact CB-CD 4.28Å; L158-K167 HydrophobicContact CB-CG 3.83Å; L158-K167 HydrophobicContact CD1-CG 4.04Å; L158-K167 VanDerWaalsContact O-CE 3.24Å; L158-K167 WeakPolarHBondContact O-CE 3.22Å; L158-K167 PolarHBondContact O-NZ 2.95Å; Y162-K167 WeakPolarHBondContact O-CE 3.07Å; Y162-K167 PolarHBondContact O-NZ 3.43Å; P163-K167 PolarHBondContact O-NZ 3.19Å; V165-K167 WeakPolarHBondContact O-CE 3.24Å; V165-K167 PolarHBondContact O-NZ 3.45Å; K167-D199 WeakPolarHBondContact CD-OD2 3.15Å; K167-D199 PolarHBondContact N-OD2 3.12Å; K167-D199 PolarHBondContact O-N 2.86Å; K167-D199 VanDerWaalsContact O-N 3.15Å; K167-C200 PolarHBondContact O-N 3.37Å
168M97Very high94.7Very high2 Ų243.7 Ų43.71%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-90105.7174.3-63.6-74.117300109C135 F136 F137 V138 C200 L274C135-M168 HydrophobicContact CB-CG 4.36Å; F136-M168 WeakPolarHBondContact O-CB 3.4Å; F136-M168 PolarHBondContact O-N 2.84Å; F137-M168 CarbonylContact C-O 3.58Å; F137-M168 WeakPolarHBondContact CA-O 2.97Å; F137-M168 HydrophobicContact CD1-CB 3.61Å; F137-M168 HydrophobicContact CD1-CG 4.43Å; F137-M168 HydrophobicContact CE1-CB 3.64Å; F137-M168 HydrophobicContact CE1-CG 4.05Å; F137-M168 HydrophobicContact CG-CB 4.34Å; F137-M168 HydrophobicContact CZ-CB 4.41Å; F137-M168 HydrophobicContact CZ-CG 4.4Å; V138-M168 PolarHBondContact N-O 3.36Å; M168-C200 WeakPolarHBondContact CA-O 3.47Å; M168-C200 HydrophobicContact CE-CB 4.33Å; M168-C200 HydrophobicContact SD-CB 3.61Å; M168-L274 HydrophobicContact CE-CB 4.45Å; M168-L274 WeakPolarHBondContact CE-O 3.47Å
169D98Very high94.1Very high0 Ų051.2 Ų51.20%028%0.278CS..EExtended strand (participates in β ladder)trans-94.6125.3-177.4-171.632.5000111.6H140 L155 T194 A198 C200 V201 L202H140-D169 IonicContact CD2-OD1 2.77Å; H140-D169 PolarHBondContact CD2-OD1 3.32Å; H140-D169 IonicContact NE2-OD1 3.91Å; H140-D169 PolarHBondContact NE2-OD1 2.84Å; H140-D169 VanDerWaalsContact NE2-OD1 3.09Å; H140-D169 IonicContact NE2-OD2 2.75Å; H140-D169 PolarHBondContact NE2-OD2 2.98Å; L155-D169 HydrophobicContact CD2-CB 4.49Å; D169-T194 WeakPolarHBondContact OD2-CG2 3.3Å; D169-T194 PolarHBondContact OD2-OG1 3.47Å; D169-A198 HydrophobicContact CB-CB 3.93Å; D169-C200 PolarHBondContact N-O 3.04Å; D169-V201 HydrophobicContact CB-CG1 4.37Å; D169-V201 HydrophobicContact CB-CG2 4.28Å; D169-V201 CarbonylContact O-C 3.23Å; D169-V201 WeakPolarHBondContact O-CA 3.38Å; D169-L202 PolarHBondContact O-N 3.01Å
170I98.4Very high93.8Very high1 Ų151 Ų511%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-109.682.9179.9-48.8-61.5000107.2F137 V138 L139 H140 L202 I204 V253 L257F137-I170 HydrophobicContact CD1-CD1 4.34Å; F137-I170 HydrophobicContact CD1-CG1 4.29Å; V138-I170 WeakPolarHBondContact O-CB 3.48Å; V138-I170 PolarHBondContact O-N 3.39Å; L139-I170 HydrophobicContact CD2-CB 3.52Å; L139-I170 HydrophobicContact CD2-CG1 3.38Å; L139-I170 HydrophobicContact CD2-CG2 4.07Å; H140-I170 PolarHBondContact N-O 3.16Å; I170-L202 HydrophobicContact CD1-CB 3.81Å; I170-L202 HydrophobicContact CD1-CD1 3.8Å; I170-L202 HydrophobicContact CD1-CD2 4.31Å; I170-L202 HydrophobicContact CD1-CG 4.18Å; I170-I204 HydrophobicContact CG2-CD1 3.41Å; I170-I204 VanDerWaalsContact CG2-CD1 3.41Å; I170-V253 HydrophobicContact CG2-CG1 4.38Å; I170-L257 HydrophobicContact CD1-CD2 3.8Å; I170-L257 HydrophobicContact CG1-CD2 3.85Å
171A98Very high93.6Very high0 Ų050.5 Ų50.50%027%0.274CS..EExtended strand (participates in β ladder)trans-90.9112.7-171.500000111.6M142 F173 V201 L202 I204M142-A171 HydrophobicContact CG-CB 3.94Å; M142-A171 HydrophobicContact SD-CB 3.86Å; A171-F173 HydrophobicContact CB-CE2 3.97Å; A171-F173 VanDerWaalsContact O-CD2 3.31Å; A171-F173 WeakPolarHBondContact O-CD2 3.44Å; A171-V201 HydrophobicContact CB-CG1 4.09Å; A171-L202 PolarHBondContact N-O 2.7Å; A171-I204 PolarHBondContact O-N 3.24Å
172V98Very high93.5Very high2 Ų245.6 Ų45.61%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-90.1113.3176.8-1760000111.1I16 H140 S141 M142 I204 N206I16-V172 HydrophobicContact CD1-CG2 3.66Å; H140-V172 PolarHBondContact O-N 3.36Å; S141-V172 CarbonylContact C-O 3.59Å; S141-V172 WeakPolarHBondContact CA-O 3.45Å; M142-V172 PolarHBondContact N-O 2.99Å; V172-I204 CarbonylContact C-O 3.58Å; V172-I204 WeakPolarHBondContact CA-O 3.35Å; V172-I204 HydrophobicContact CG2-CB 4.34Å; V172-I204 HydrophobicContact CG2-CD1 4.12Å; V172-N206 VanDerWaalsContact CG1-OD1 3.23Å; V172-N206 WeakPolarHBondContact CG1-OD1 3.31Å
173F97.1Very high93.4Very high5 Ų543.8 Ų43.82%0.02225%0.246CC..EExtended strand (participates in β ladder)trans-80.1139.3179.9-72.9-104.6000111.5M142 A171 T187 L191 P203 I204 N206 M324 F399 I402M142-F173 HydrophobicContact CG-CD2 4.36Å; M142-F173 HydrophobicContact CG-CE2 4.25Å; M142-F173 HydrophobicContact CG-CZ 4.38Å; A171-F173 HydrophobicContact CB-CE2 3.97Å; A171-F173 VanDerWaalsContact O-CD2 3.31Å; A171-F173 WeakPolarHBondContact O-CD2 3.44Å; F173-T187 HydrophobicContact CD1-CG2 3.99Å; F173-T187 HydrophobicContact CE1-CG2 4.03Å; F173-L191 HydrophobicContact CE1-CD1 4.19Å; F173-L191 HydrophobicContact CE1-CD2 4.01Å; F173-L191 HydrophobicContact CE1-CG 4.32Å; F173-L191 HydrophobicContact CZ-CD2 3.79Å; F173-P203 HydrophobicContact CD2-CB 3.93Å; F173-P203 HydrophobicContact CE2-CB 3.36Å; F173-P203 HydrophobicContact CZ-CB 4.11Å; F173-I204 PolarHBondContact N-O 2.81Å; F173-N206 PolarHBondContact O-N 3.12Å; F173-M324 HydrophobicContact CD2-SD 4.48Å; F173-F399 HydrophobicContact CZ-CE1 4.44Å; F173-I402 HydrophobicContact CD1-CD1 3.44Å; F173-I402 VanDerWaalsContact CD1-CD1 3.44Å; F173-I402 HydrophobicContact CE1-CD1 3.48Å; F173-I402 VanDerWaalsContact CE1-CD1 3.48Å
174P94.7Very high93.5Very high17 Ų1740.2 Ų40.211%0.1122%0.222CC..  trans-69.5148.6178.130.2-35.1000111.2D178P174-D178 HydrophobicContact CB-CB 4.02Å; P174-D178 VanDerWaalsContact CB-OD2 3.25Å; P174-D178 WeakPolarHBondContact CB-OD2 3.38Å
175S91Very high93.6Very high30 Ų3032.8 Ų32.821%0.2118%0.183CC..  trans-72.6174.1174.280.10000111.8D177 D178 R405S175-D177 VanDerWaalsContact C-N 3.32Å; S175-D177 PolarHBondContact OG-N 3.31Å; S175-D178 WeakPolarHBondContact O-CB 3.31Å; S175-D178 PolarHBondContact OG-N 3.14Å; S175-R405 PolarHBondContact O-NH1 3.43Å; S175-R405 PolarHBondContact O-NH2 3.48Å
176T84.7Confident93.8Very high59 Ų5931.6 Ų31.636%0.36218%0.175SC..THydrogen-bonded Turntrans-64.3-39.6174.1-56.10000111.7D178 F401 R405T176-D178 VanDerWaalsContact C-N 3.29Å; T176-D178 PolarHBondContact O-N 3.05Å; T176-F401 HydrophobicContact CG2-CZ 4.09Å; T176-F401 WeakPolarHBondContact OG1-CZ 3.36Å; T176-R405 PolarHBondContact O-NH2 2.99Å
177D81.4Confident93.9Very high147 Ų14729.3 Ų29.379%0.78617%0.167SC*.THydrogen-bonded Turntrans-96.633-176.2-57-42.6000111.9S175S175-D177 VanDerWaalsContact C-N 3.32Å; S175-D177 PolarHBondContact OG-N 3.31Å
178D83Confident93.9Very high48 Ų4829 Ų2926%0.25717%0.165SC..  trans-67.4137.9179.7-16938.7000111.8P174 S175 T176 V180 S183P174-D178 HydrophobicContact CB-CB 4.02Å; P174-D178 VanDerWaalsContact CB-OD2 3.25Å; P174-D178 WeakPolarHBondContact CB-OD2 3.38Å; S175-D178 WeakPolarHBondContact O-CB 3.31Å; S175-D178 PolarHBondContact OG-N 3.14Å; T176-D178 VanDerWaalsContact C-N 3.29Å; T176-D178 PolarHBondContact O-N 3.05Å; D178-V180 PolarHBondContact O-N 3.03Å; D178-S183 WeakPolarHBondContact OD2-CB 3.28Å; D178-S183 PolarHBondContact OD2-OG 3.37Å
179D85.8Confident94Very high159 Ų15928.9 Ų28.985%0.8517%0.165SC*.SBendtrans-66.9-21.9-175.7-71.2-36000112.5V181D179-V181 PolarHBondContact O-N 3.25Å
180V91.7Very high94Very high20 Ų2028.9 Ų28.912%0.12117%0.165CC..  trans-85.9102.2179.6-1770000110N102 D178 T182 S183N102-V180 HydrophobicContact CB-CG1 3.7Å; N102-V180 HydrophobicContact CB-CG2 4.05Å; D178-V180 PolarHBondContact O-N 3.03Å; V180-T182 PolarHBondContact O-N 3.22Å; V180-T182 VanDerWaalsContact O-N 3.13Å; V180-S183 VanDerWaalsContact O-CB 3.3Å; V180-S183 WeakPolarHBondContact O-CB 3.42Å; V180-S183 PolarHBondContact O-N 2.94Å; V180-S183 PolarHBondContact O-OG 2.9Å; V180-S183 VanDerWaalsContact O-OG 3.05Å
181V93.3Very high94Very high91 Ų9129 Ų2955%0.55217%0.165SC*.THydrogen-bonded Turntrans-55.7-33.6179.3-179.80000112.7D179 L409D179-V181 PolarHBondContact O-N 3.25Å; V181-L409 WeakPolarHBondContact O-CD1 3.19Å
182T95.1Very high94Very high19 Ų1930.3 Ų30.312%0.11717%0.173CC..THydrogen-bonded Turntrans-89.66.5-179.354.10000114N102 V180 P184 Y185 N186 H415 Y419N102-T182 PolarHBondContact O-OG1 3.36Å; V180-T182 PolarHBondContact O-N 3.22Å; V180-T182 VanDerWaalsContact O-N 3.13Å; T182-P184 VanDerWaalsContact C-N 3.29Å; T182-Y185 WeakPolarHBondContact O-CB 3.46Å; T182-Y185 PolarHBondContact O-N 3.35Å; T182-N186 PolarHBondContact O-N 3.45Å; T182-H415 HydrophobicContact CG2-CB 3.58Å; T182-Y419 WeakPolarHBondContact CB-OH 3.43Å; T182-Y419 HydrophobicContact CG2-CE2 4.22Å
183S96.3Very high94Very high1 Ų131.8 Ų31.81%0.00718%0.179CC..Hα-helixtrans-56.2-33.4-179.365.60000114.4D178 V180 Y185 N186 T187D178-S183 WeakPolarHBondContact OD2-CB 3.28Å; D178-S183 PolarHBondContact OD2-OG 3.37Å; V180-S183 VanDerWaalsContact O-CB 3.3Å; V180-S183 WeakPolarHBondContact O-CB 3.42Å; V180-S183 PolarHBondContact O-N 2.94Å; V180-S183 PolarHBondContact O-OG 2.9Å; V180-S183 VanDerWaalsContact O-OG 3.05Å; S183-Y185 VanDerWaalsContact C-N 3.31Å; S183-Y185 PolarHBondContact O-N 2.85Å; S183-N186 PolarHBondContact O-N 3.27Å; S183-T187 WeakPolarHBondContact O-CB 3.44Å; S183-T187 PolarHBondContact O-N 2.82Å; S183-T187 PolarHBondContact O-OG1 2.75Å
184P96.9Very high94.1Very high7 Ų731.5 Ų31.55%0.04518%0.178CC..Hα-helixtrans-63.4-34.4174.3-23.435.9000113.6T182 V188 R405 F406 L409T182-P184 VanDerWaalsContact C-N 3.29Å; P184-V188 WeakPolarHBondContact O-CG2 3.35Å; P184-V188 PolarHBondContact O-N 3.41Å; P184-V188 VanDerWaalsContact O-N 3.14Å; P184-R405 HydrophobicContact CB-CB 3.9Å; P184-R405 HydrophobicContact CG-CB 3.8Å; P184-F406 HydrophobicContact CB-CB 4.44Å; P184-L409 HydrophobicContact CB-CD1 4.3Å; P184-L409 HydrophobicContact CG-CD1 3.99Å
185Y97.7Very high94.2Very high0 Ų031.3 Ų31.30%018%0.176CC..Hα-helixtrans-67.4-48.2174.4-72-13.5000111.2T182 S183 T187 V188 L189 F406 L409 Y410 A414 Y419 F430T182-Y185 WeakPolarHBondContact O-CB 3.46Å; T182-Y185 PolarHBondContact O-N 3.35Å; S183-Y185 VanDerWaalsContact C-N 3.31Å; S183-Y185 PolarHBondContact O-N 2.85Å; Y185-T187 VanDerWaalsContact C-N 3.3Å; Y185-T187 PolarHBondContact O-N 2.79Å; Y185-V188 PolarHBondContact O-N 3.33Å; Y185-L189 WeakPolarHBondContact O-CB 3.42Å; Y185-L189 WeakPolarHBondContact O-CG 3.41Å; Y185-L189 PolarHBondContact O-N 3.26Å; Y185-L189 VanDerWaalsContact O-N 3.08Å; Y185-F406 AromaticContact CD1-CD2 3.47Å; Y185-F406 HydrophobicContact CD1-CD2 3.47Å; Y185-F406 VanDerWaalsContact CD1-CD2 3.47Å; Y185-F406 AromaticContact CD1-CE2 3.48Å; Y185-F406 HydrophobicContact CD1-CE2 3.48Å; Y185-F406 VanDerWaalsContact CD1-CE2 3.48Å; Y185-F406 HydrophobicContact CD1-CG 4.41Å; Y185-F406 HydrophobicContact CD1-CZ 4.47Å; Y185-F406 AromaticContact CE1-CD2 3.96Å; Y185-F406 HydrophobicContact CE1-CD2 3.96Å; Y185-F406 AromaticContact CE1-CE2 3.86Å; Y185-F406 HydrophobicContact CE1-CE2 3.86Å; Y185-F406 HydrophobicContact CE1-CZ 4.46Å; Y185-L409 HydrophobicContact CE1-CB 3.73Å; Y185-L409 HydrophobicContact CE1-CD1 4.49Å; Y185-L409 HydrophobicContact CE2-CB 4.44Å; Y185-L409 WeakPolarHBondContact OH-CB 3.28Å; Y185-L409 PolarHBondContact OH-O 2.94Å; Y185-Y410 HydrophobicContact CE1-CD2 4.43Å; Y185-Y410 WeakPolarHBondContact OH-CA 3.28Å; Y185-Y410 PolarHBondContact OH-N 2.95Å; Y185-A414 VanDerWaalsContact CE2-O 3.26Å; Y185-A414 WeakPolarHBondContact CE2-O 3.38Å; Y185-A414 PolarHBondContact OH-O 3.17Å; Y185-Y419 HydrophobicContact CD2-CD2 4.22Å; Y185-Y419 AromaticContact CD2-CE2 3.67Å; Y185-Y419 HydrophobicContact CD2-CE2 3.67Å; Y185-Y419 HydrophobicContact CG-CE2 4.46Å; Y185-F430 HydrophobicContact CD1-CE1 4.07Å; Y185-F430 HydrophobicContact CD2-CE1 4.31Å; Y185-F430 HydrophobicContact CD2-CZ 4.06Å; Y185-F430 AromaticContact CG-CE1 3.81Å; Y185-F430 HydrophobicContact CG-CE1 3.81Å; Y185-F430 HydrophobicContact CG-CZ 4.04Å
186N98Very high94.5Very high0 Ų035.8 Ų35.80%019%0.194CC..Hα-helixtrans-59.4-43.2178-64.6-22.4000111.6N102 W104 M142 G143 G144 T182 S183 A190 Y419N102-N186 PolarHBondContact O-ND2 3.49Å; W104-N186 HydrophobicContact CB-CB 4.06Å; W104-N186 VanDerWaalsContact CB-OD1 3.22Å; W104-N186 WeakPolarHBondContact CB-OD1 3.36Å; W104-N186 PolarHBondContact N-OD1 3.34Å; M142-N186 CarbonylContact O-C 3.53Å; M142-N186 WeakPolarHBondContact O-CB 3.45Å; G143-N186 PolarHBondContact O-ND2 3.39Å; G144-N186 PolarHBondContact O-ND2 3.14Å; T182-N186 PolarHBondContact O-N 3.45Å; S183-N186 PolarHBondContact O-N 3.27Å; N186-A190 WeakPolarHBondContact O-CB 3.13Å; N186-A190 PolarHBondContact O-N 3.24Å; N186-Y419 WeakPolarHBondContact OD1-CE1 3.46Å; N186-Y419 PolarHBondContact OD1-OH 3.41Å
187T98Very high95.1Very high1 Ų134.8 Ų34.81%0.00619%0.185CC..Hα-helixtrans-67.6-42.2-178.1-60.30000111.9M142 F173 S183 Y185 A190 L191 I402M142-T187 HydrophobicContact CB-CG2 3.97Å; M142-T187 WeakPolarHBondContact O-CA 3.23Å; M142-T187 PolarHBondContact O-N 3.34Å; M142-T187 PolarHBondContact O-OG1 2.9Å; F173-T187 HydrophobicContact CD1-CG2 3.99Å; F173-T187 HydrophobicContact CE1-CG2 4.03Å; S183-T187 WeakPolarHBondContact O-CB 3.44Å; S183-T187 PolarHBondContact O-N 2.82Å; S183-T187 PolarHBondContact O-OG1 2.75Å; Y185-T187 VanDerWaalsContact C-N 3.3Å; Y185-T187 PolarHBondContact O-N 2.79Å; T187-A190 PolarHBondContact O-N 3.06Å; T187-L191 HydrophobicContact CG2-CD1 3.96Å; T187-L191 HydrophobicContact CG2-CG 4.33Å; T187-L191 VanDerWaalsContact O-CB 3.28Å; T187-L191 WeakPolarHBondContact O-CB 3.25Å; T187-L191 VanDerWaalsContact O-CG 3.26Å; T187-L191 WeakPolarHBondContact O-CG 3.44Å; T187-L191 PolarHBondContact O-N 3.3Å; T187-I402 HydrophobicContact CG2-CD1 4.01Å; T187-I402 HydrophobicContact CG2-CG1 4.38Å; T187-I402 HydrophobicContact CG2-CG2 3.75Å
188V98.3Very high95.9Very high0 Ų028.1 Ų28.10%015%0.15CC..Hα-helixtrans-66-44.7177.7169.70000111.5P184 Y185 A190 L191 D192 I402 F406 A434 L437P184-V188 WeakPolarHBondContact O-CG2 3.35Å; P184-V188 PolarHBondContact O-N 3.41Å; P184-V188 VanDerWaalsContact O-N 3.14Å; Y185-V188 PolarHBondContact O-N 3.33Å; V188-A190 VanDerWaalsContact C-N 3.33Å; V188-A190 PolarHBondContact O-N 2.63Å; V188-L191 PolarHBondContact O-N 3.45Å; V188-D192 PolarHBondContact O-N 3Å; V188-I402 HydrophobicContact CG2-CG2 3.84Å; V188-F406 HydrophobicContact CB-CD2 3.76Å; V188-F406 HydrophobicContact CB-CE2 4.19Å; V188-F406 HydrophobicContact CB-CG 4.4Å; V188-F406 HydrophobicContact CG1-CD2 4.06Å; V188-F406 HydrophobicContact CG1-CE2 4.12Å; V188-F406 HydrophobicContact CG2-CB 3.77Å; V188-F406 HydrophobicContact CG2-CD2 3.63Å; V188-F406 HydrophobicContact CG2-CE2 4.49Å; V188-F406 HydrophobicContact CG2-CG 3.83Å; V188-A434 HydrophobicContact CG1-CB 4.36Å; V188-L437 HydrophobicContact CG2-CD2 4.04Å
189L98.5Very high96.5Very high0 Ų028.3 Ų28.30%015%0.151CC..Hα-helixtrans-63.8-39.3176.6-69.3166.4000111.8W104 Y185 Y419 F425 M429 F430W104-L189 HydrophobicContact CB-CD1 4.26Å; W104-L189 HydrophobicContact CD2-CB 3.6Å; W104-L189 HydrophobicContact CD2-CD1 3.97Å; W104-L189 HydrophobicContact CD2-CG 4.37Å; W104-L189 HydrophobicContact CE3-CB 3.89Å; W104-L189 HydrophobicContact CE3-CD1 3.61Å; W104-L189 HydrophobicContact CE3-CD2 4.46Å; W104-L189 HydrophobicContact CE3-CG 4.2Å; W104-L189 HydrophobicContact CG-CB 3.92Å; W104-L189 HydrophobicContact CG-CD1 4.26Å; W104-L189 HydrophobicContact CH2-CB 4.49Å; W104-L189 HydrophobicContact CZ2-CB 4.26Å; W104-L189 HydrophobicContact CZ3-CB 4.32Å; W104-L189 HydrophobicContact CZ3-CD1 4.27Å; W104-L189 HydrophobicContact CZ3-CD2 4.36Å; Y185-L189 WeakPolarHBondContact O-CB 3.42Å; Y185-L189 WeakPolarHBondContact O-CG 3.41Å; Y185-L189 PolarHBondContact O-N 3.26Å; Y185-L189 VanDerWaalsContact O-N 3.08Å; L189-Y419 HydrophobicContact CD1-CD1 4.05Å; L189-Y419 HydrophobicContact CD1-CE1 3.95Å; L189-F425 HydrophobicContact CD1-CE2 3.92Å; L189-F425 HydrophobicContact CD1-CZ 4.18Å; L189-F425 HydrophobicContact CD2-CE2 4.2Å; L189-F425 HydrophobicContact CD2-CZ 4.34Å; L189-M429 HydrophobicContact CD2-CB 4.34Å; L189-F430 HydrophobicContact CD1-CD1 4.15Å; L189-F430 HydrophobicContact CD1-CE1 3.47Å; L189-F430 VanDerWaalsContact CD1-CE1 3.47Å; L189-F430 HydrophobicContact CD1-CZ 3.96Å; L189-F430 HydrophobicContact CD2-CD1 4Å; L189-F430 HydrophobicContact CD2-CE1 4.17Å; L189-F430 HydrophobicContact CG-CD1 4.08Å; L189-F430 HydrophobicContact CG-CE1 3.85Å
190A98.5Very high97Very high0 Ų020.7 Ų20.70%011%0.11CC..Hα-helixtrans-70.5-41.617800000112.5M142 T152 N186 T187 V188 D192 Q193 T194M142-A190 HydrophobicContact CE-CB 3.52Å; M142-A190 HydrophobicContact SD-CB 3.87Å; T152-A190 HydrophobicContact CG2-CB 3.85Å; N186-A190 WeakPolarHBondContact O-CB 3.13Å; N186-A190 PolarHBondContact O-N 3.24Å; T187-A190 PolarHBondContact O-N 3.06Å; V188-A190 VanDerWaalsContact C-N 3.33Å; V188-A190 PolarHBondContact O-N 2.63Å; A190-D192 VanDerWaalsContact C-N 3.26Å; A190-D192 PolarHBondContact O-N 3.06Å; A190-Q193 PolarHBondContact O-N 2.75Å; A190-Q193 VanDerWaalsContact O-N 3.16Å; A190-T194 WeakPolarHBondContact O-CB 3.2Å; A190-T194 PolarHBondContact O-N 3.27Å; A190-T194 PolarHBondContact O-OG1 3.47Å
191L98.2Very high97.2Very high2 Ų219.8 Ų19.81%0.0110%0.104CC..Hα-helixtrans-57.7-39.1177.5-86.4169.8000112.4M142 F173 T187 V188 Q193 T194 T195 Y289 F399 I402 L437M142-L191 HydrophobicContact CE-CB 4.3Å; M142-L191 HydrophobicContact CE-CD2 3.95Å; M142-L191 HydrophobicContact CE-CG 3.71Å; F173-L191 HydrophobicContact CE1-CD1 4.19Å; F173-L191 HydrophobicContact CE1-CD2 4.01Å; F173-L191 HydrophobicContact CE1-CG 4.32Å; F173-L191 HydrophobicContact CZ-CD2 3.79Å; T187-L191 HydrophobicContact CG2-CD1 3.96Å; T187-L191 HydrophobicContact CG2-CG 4.33Å; T187-L191 VanDerWaalsContact O-CB 3.28Å; T187-L191 WeakPolarHBondContact O-CB 3.25Å; T187-L191 VanDerWaalsContact O-CG 3.26Å; T187-L191 WeakPolarHBondContact O-CG 3.44Å; T187-L191 PolarHBondContact O-N 3.3Å; V188-L191 PolarHBondContact O-N 3.45Å; L191-Q193 VanDerWaalsContact C-N 3.35Å; L191-T194 PolarHBondContact O-N 3.07Å; L191-T195 WeakPolarHBondContact O-CB 3.49Å; L191-T195 PolarHBondContact O-N 2.85Å; L191-T195 PolarHBondContact O-OG1 3.34Å; L191-Y289 HydrophobicContact CD2-CE1 3.94Å; L191-F399 HydrophobicContact CD1-CD1 4.38Å; L191-F399 HydrophobicContact CD2-CE1 3.96Å; L191-I402 HydrophobicContact CD1-CD1 4.26Å; L191-I402 HydrophobicContact CD1-CG2 4.37Å; L191-L437 HydrophobicContact CD1-CD1 3.89Å; L191-L437 HydrophobicContact CD1-CD2 3.87Å
192D98.2Very high97.5Very high29 Ų2915.5 Ų15.516%0.1558%0.078CC..Hα-helixtrans-59.4-46.7177.1-176.558.5000111.5V188 A190 E196 S433 S436V188-D192 PolarHBondContact O-N 3Å; A190-D192 VanDerWaalsContact C-N 3.26Å; A190-D192 PolarHBondContact O-N 3.06Å; D192-E196 PolarHBondContact O-N 2.54Å; D192-S433 WeakPolarHBondContact CB-OG 3.48Å; D192-S433 PolarHBondContact OD2-OG 3.02Å; D192-S436 WeakPolarHBondContact OD1-CB 3.39Å; D192-S436 PolarHBondContact OD1-OG 2.87Å; D192-S436 VanDerWaalsContact OD1-OG 3.05Å
193Q98Very high97.6Very high32 Ų3214.6 Ų14.615%0.157%0.073CC..Hα-helixtrans-71.9-39.4177.4-57.1-63.7-8200112.9W104 T152 A190 L191 T195 E196 F197W104-Q193 HydrophobicContact CZ2-CG 3.86Å; T152-Q193 HydrophobicContact CG2-CB 3.89Å; A190-Q193 PolarHBondContact O-N 2.75Å; A190-Q193 VanDerWaalsContact O-N 3.16Å; L191-Q193 VanDerWaalsContact C-N 3.35Å; Q193-T195 VanDerWaalsContact C-N 3.31Å; Q193-T195 PolarHBondContact O-N 3.18Å; Q193-E196 PolarHBondContact O-N 2.98Å; Q193-F197 HydrophobicContact CB-CD2 4.2Å; Q193-F197 HydrophobicContact CB-CE2 4.4Å; Q193-F197 WeakPolarHBondContact O-CD2 3.12Å; Q193-F197 PolarHBondContact O-N 3.49Å
194T97.9Very high97.7Very high0 Ų014.5 Ų14.50%07%0.073CC..Hα-helixtrans-61.7-41.7176.5-71.80000110.7D169 A190 L191 E196 A198 V201 Y289D169-T194 WeakPolarHBondContact OD2-CG2 3.3Å; D169-T194 PolarHBondContact OD2-OG1 3.47Å; A190-T194 WeakPolarHBondContact O-CB 3.2Å; A190-T194 PolarHBondContact O-N 3.27Å; A190-T194 PolarHBondContact O-OG1 3.47Å; L191-T194 PolarHBondContact O-N 3.07Å; T194-E196 VanDerWaalsContact C-N 3.28Å; T194-E196 PolarHBondContact O-N 3.15Å; T194-A198 HydrophobicContact CG2-CB 4.24Å; T194-A198 WeakPolarHBondContact O-CB 3.47Å; T194-A198 PolarHBondContact O-N 3.02Å; T194-V201 HydrophobicContact CG2-CB 4.27Å; T194-V201 HydrophobicContact CG2-CG1 3.9Å; T194-V201 HydrophobicContact CG2-CG2 3.33Å; T194-Y289 HydrophobicContact CG2-CE1 4.46Å
195T97.6Very high97.6Very high12 Ų1214.8 Ų14.87%0.0747%0.074CC..Hα-helixtrans-63.6-34.3177.1-530000112.4L191 Q193 H286 H288 Y289L191-T195 WeakPolarHBondContact O-CB 3.49Å; L191-T195 PolarHBondContact O-N 2.85Å; L191-T195 PolarHBondContact O-OG1 3.34Å; Q193-T195 VanDerWaalsContact C-N 3.31Å; Q193-T195 PolarHBondContact O-N 3.18Å; T195-H286 HydrophobicContact CG2-CB 3.85Å; T195-H288 PolarHBondContact O-CE1 2.97Å; T195-Y289 PolarHBondContact OG1-OH 3.25Å
196E97.3Very high97.5Very high125 Ų12516.3 Ų16.358%0.5848%0.082SC*.Hα-helixtrans-78.8-41.3-179.5-174.567.2-172.500112.6D192 Q193 T194D192-E196 PolarHBondContact O-N 2.54Å; Q193-E196 PolarHBondContact O-N 2.98Å; T194-E196 VanDerWaalsContact C-N 3.28Å; T194-E196 PolarHBondContact O-N 3.15Å
197F97.7Very high97.2Very high38 Ų3819.3 Ų19.317%0.16710%0.097CC..Hα-helixtrans-111-17.2-164.7-59.4-55.6000115.7L155 K156 A159 Q193L155-F197 HydrophobicContact CB-CB 4Å; K156-F197 HydrophobicContact CB-CD2 3.91Å; K156-F197 HydrophobicContact CB-CE2 3.81Å; K156-F197 HydrophobicContact CB-CG 4.33Å; K156-F197 HydrophobicContact CB-CZ 4.14Å; K156-F197 HydrophobicContact CD-CE2 4.28Å; K156-F197 HydrophobicContact CD-CZ 4.11Å; K156-F197 HydrophobicContact CG-CD2 4.48Å; K156-F197 HydrophobicContact CG-CE1 4.15Å; K156-F197 HydrophobicContact CG-CE2 4Å; K156-F197 HydrophobicContact CG-CZ 3.83Å; A159-F197 HydrophobicContact CB-CB 4.14Å; A159-F197 HydrophobicContact CB-CD1 3.72Å; A159-F197 HydrophobicContact CB-CG 4.28Å; Q193-F197 HydrophobicContact CB-CD2 4.2Å; Q193-F197 HydrophobicContact CB-CE2 4.4Å; Q193-F197 WeakPolarHBondContact O-CD2 3.12Å; Q193-F197 PolarHBondContact O-N 3.49Å
198A97.2Very high97Very high6 Ų619.6 Ų19.65%0.0510%0.099CC..  trans-86.7143.9176.200000110.9L155 D169 T194 V201 H288L155-A198 HydrophobicContact CD2-CB 4.48Å; D169-A198 HydrophobicContact CB-CB 3.93Å; T194-A198 HydrophobicContact CG2-CB 4.24Å; T194-A198 WeakPolarHBondContact O-CB 3.47Å; T194-A198 PolarHBondContact O-N 3.02Å; A198-V201 HydrophobicContact CB-CG2 3.76Å; A198-H288 PolarHBondContact O-CE1 2.88Å; A198-H288 PolarHBondContact O-ND1 2.88Å
199D96Very high96.8Very high52 Ų5219.7 Ų19.728%0.27810%0.099SC..SBendtrans-83.6-31.3172.9-63-73.3000111.5Y166 K167 S278 H288Y166-D199 VanDerWaalsContact CA-OD2 3.25Å; Y166-D199 WeakPolarHBondContact CA-OD2 3.23Å; Y166-D199 HydrophobicContact CD1-CB 3.65Å; Y166-D199 HydrophobicContact CE1-CB 4.23Å; K167-D199 WeakPolarHBondContact CD-OD2 3.15Å; K167-D199 PolarHBondContact N-OD2 3.12Å; K167-D199 PolarHBondContact O-N 2.86Å; K167-D199 VanDerWaalsContact O-N 3.15Å; D199-S278 PolarHBondContact O-OG 3.47Å; D199-H288 WeakPolarHBondContact O-CB 3.3Å
200C95.6Very high96.4Very high0 Ų021.6 Ų21.60%011%0.113CC..EExtended strand (participates in β ladder)trans-152.1129.4-178.4172.10000110K167 M168 D169 L290K167-C200 PolarHBondContact O-N 3.37Å; M168-C200 WeakPolarHBondContact CA-O 3.47Å; M168-C200 HydrophobicContact CE-CB 4.33Å; M168-C200 HydrophobicContact SD-CB 3.61Å; D169-C200 PolarHBondContact N-O 3.04Å; C200-L290 WeakPolarHBondContact SG-CD1 3.4Å
201V97.9Very high96.1Very high0 Ų025.8 Ų25.80%014%0.135CC..EExtended strand (participates in β ladder)trans-116126.8-178.7-172.10000109.1D169 A171 T194 A198 P203 H288 Y289 L290D169-V201 HydrophobicContact CB-CG1 4.37Å; D169-V201 HydrophobicContact CB-CG2 4.28Å; D169-V201 CarbonylContact O-C 3.23Å; D169-V201 WeakPolarHBondContact O-CA 3.38Å; A171-V201 HydrophobicContact CB-CG1 4.09Å; T194-V201 HydrophobicContact CG2-CB 4.27Å; T194-V201 HydrophobicContact CG2-CG1 3.9Å; T194-V201 HydrophobicContact CG2-CG2 3.33Å; A198-V201 HydrophobicContact CB-CG2 3.76Å; V201-P203 WeakPolarHBondContact O-CD 3.37Å; V201-H288 PolarHBondContact N-O 2.9Å; V201-Y289 HydrophobicContact CB-CD1 3.67Å; V201-Y289 HydrophobicContact CB-CE1 3.85Å; V201-Y289 HydrophobicContact CB-CG 4.34Å; V201-Y289 HydrophobicContact CG1-CD1 3.7Å; V201-Y289 HydrophobicContact CG1-CE1 3.69Å; V201-Y289 HydrophobicContact CG2-CD1 4.25Å; V201-Y289 HydrophobicContact CG2-CE1 4Å; V201-Y289 CarbonylContact O-C 3.32Å; V201-Y289 WeakPolarHBondContact O-CA 3.38Å; V201-L290 PolarHBondContact O-N 3.43Å
202L98Very high95.6Very high1 Ų126 Ų261%0.00514%0.136CC..  trans-104.687.9170.9-69.387.8000108.3D169 I170 A171 I204 M256 L260 L389D169-L202 PolarHBondContact O-N 3.01Å; I170-L202 HydrophobicContact CD1-CB 3.81Å; I170-L202 HydrophobicContact CD1-CD1 3.8Å; I170-L202 HydrophobicContact CD1-CD2 4.31Å; I170-L202 HydrophobicContact CD1-CG 4.18Å; A171-L202 PolarHBondContact N-O 2.7Å; L202-I204 PolarHBondContact O-N 3.46Å; L202-M256 HydrophobicContact CD2-SD 3.97Å; L202-L260 HydrophobicContact CD2-CD2 3.99Å; L202-L389 HydrophobicContact CD2-CD2 3.8Å
203P98Very high95.2Very high0 Ų025 Ų250%013%0.131CC..  trans-66.7136178.431.2-38.3000110.3F173 V201 Y289 L290 M324 I395F173-P203 HydrophobicContact CD2-CB 3.93Å; F173-P203 HydrophobicContact CE2-CB 3.36Å; F173-P203 HydrophobicContact CZ-CB 4.11Å; V201-P203 WeakPolarHBondContact O-CD 3.37Å; P203-Y289 HydrophobicContact CG-CD1 4.49Å; P203-L290 WeakPolarHBondContact CD-O 3.41Å; P203-M324 HydrophobicContact CB-CE 3.99Å; P203-M324 HydrophobicContact CB-CG 4.19Å; P203-M324 HydrophobicContact CB-SD 3.66Å; P203-M324 HydrophobicContact CG-CE 4.43Å; P203-M324 HydrophobicContact CG-CG 4.05Å; P203-M324 HydrophobicContact CG-SD 4.18Å; P203-M324 VanDerWaalsContact O-CG 3.25Å; P203-M324 WeakPolarHBondContact O-CG 3.25Å; P203-I395 HydrophobicContact CG-CD1 3.9Å
204I97.5Very high94.6Very high0 Ų027.1 Ų27.10%014%0.143CC..EExtended strand (participates in β ladder)trans-126130.3175.5-58.9157.1000108.2I170 A171 V172 F173 L202 L209 V253 M256I170-I204 HydrophobicContact CG2-CD1 3.41Å; I170-I204 VanDerWaalsContact CG2-CD1 3.41Å; A171-I204 PolarHBondContact O-N 3.24Å; V172-I204 CarbonylContact C-O 3.58Å; V172-I204 WeakPolarHBondContact CA-O 3.35Å; V172-I204 HydrophobicContact CG2-CB 4.34Å; V172-I204 HydrophobicContact CG2-CD1 4.12Å; F173-I204 PolarHBondContact N-O 2.81Å; L202-I204 PolarHBondContact O-N 3.46Å; I204-L209 HydrophobicContact CG2-CD1 3.65Å; I204-L209 HydrophobicContact CG2-CD2 4.05Å; I204-L209 HydrophobicContact CG2-CG 3.89Å; I204-V253 HydrophobicContact CD1-CB 4.33Å; I204-V253 HydrophobicContact CD1-CG1 3.48Å; I204-V253 VanDerWaalsContact CD1-CG1 3.48Å; I204-V253 HydrophobicContact CD1-CG2 3.91Å; I204-V253 HydrophobicContact CG2-CG2 3.97Å; I204-M256 HydrophobicContact CD1-CE 3.57Å; I204-M256 HydrophobicContact CG1-CE 3.8Å
205D95.5Very high93.9Very high13 Ų1330.6 Ų30.67%0.0716%0.158CC..EExtended strand (participates in β ladder)trans-105122179.4-178.30.5000111M207 A208 L209 L323 M324 S325D205-M207 PolarHBondContact O-N 3.29Å; D205-M207 VanDerWaalsContact OD1-CB 3.29Å; D205-M207 WeakPolarHBondContact OD1-CB 3.25Å; D205-M207 PolarHBondContact OD1-N 3.28Å; D205-A208 HydrophobicContact CB-CB 4.03Å; D205-A208 WeakPolarHBondContact O-CB 3.11Å; D205-A208 PolarHBondContact O-N 2.76Å; D205-L209 WeakPolarHBondContact O-CG 3.44Å; D205-L209 PolarHBondContact O-N 2.9Å; D205-L323 PolarHBondContact N-O 3.18Å; D205-M324 HydrophobicContact CB-CE 4.4Å; D205-M324 HydrophobicContact CB-SD 3.66Å; D205-M324 PolarHBondContact N-SD 2.88Å; D205-S325 WeakPolarHBondContact OD2-CB 3.18Å; D205-S325 PolarHBondContact OD2-N 2.79Å; D205-S325 PolarHBondContact OD2-OG 3.45Å
206N94.5Very high93Very high32 Ų3230.8 Ų30.817%0.17116%0.159CC..Hα-helixtrans-56.3-31.8174.7-82-20000112.8V172 F173 L209 S210V172-N206 VanDerWaalsContact CG1-OD1 3.23Å; V172-N206 WeakPolarHBondContact CG1-OD1 3.31Å; F173-N206 PolarHBondContact O-N 3.12Å; N206-L209 PolarHBondContact O-N 2.72Å; N206-S210 WeakPolarHBondContact O-CB 3.31Å; N206-S210 PolarHBondContact O-N 3.11Å
207M93.1Very high92.1Very high63 Ų6328.6 Ų28.631%0.3115%0.148SC..Hα-helixtrans-66-41.7174.7-174.3171.766.300111.4D205 S210 N211 S325D205-M207 PolarHBondContact O-N 3.29Å; D205-M207 VanDerWaalsContact OD1-CB 3.29Å; D205-M207 WeakPolarHBondContact OD1-CB 3.25Å; D205-M207 PolarHBondContact OD1-N 3.28Å; M207-S210 PolarHBondContact O-N 3.48Å; M207-N211 PolarHBondContact O-N 2.9Å; M207-N211 PolarHBondContact O-ND2 3.12Å; M207-S325 WeakPolarHBondContact CE-OG 3.46Å
208A93.6Very high90.9Very high6 Ų631.8 Ų31.85%0.0517%0.167CC..Hα-helixtrans-65.2-44.4176.300000111.4D205 S210 N211 I212 S325D205-A208 HydrophobicContact CB-CB 4.03Å; D205-A208 WeakPolarHBondContact O-CB 3.11Å; D205-A208 PolarHBondContact O-N 2.76Å; A208-S210 VanDerWaalsContact C-N 3.32Å; A208-S210 PolarHBondContact O-N 3.3Å; A208-N211 PolarHBondContact O-N 3.47Å; A208-I212 WeakPolarHBondContact O-CD1 3.29Å; A208-I212 VanDerWaalsContact O-CG1 3.3Å; A208-I212 WeakPolarHBondContact O-CG1 3.11Å; A208-I212 PolarHBondContact O-N 3.06Å; A208-S325 PolarHBondContact N-OG 3.3Å
209L93.3Very high89.4Confident2 Ų235.6 Ų35.61%0.0119%0.189CC..Hα-helixtrans-59.6-42.4176-61.2-176.7000111.9I204 D205 N206 I212 I213 M249 I252 V253 L323I204-L209 HydrophobicContact CG2-CD1 3.65Å; I204-L209 HydrophobicContact CG2-CD2 4.05Å; I204-L209 HydrophobicContact CG2-CG 3.89Å; D205-L209 WeakPolarHBondContact O-CG 3.44Å; D205-L209 PolarHBondContact O-N 2.9Å; N206-L209 PolarHBondContact O-N 2.72Å; L209-I212 PolarHBondContact O-N 3.14Å; L209-I213 WeakPolarHBondContact O-CD1 3.47Å; L209-I213 VanDerWaalsContact O-CG1 3.28Å; L209-I213 WeakPolarHBondContact O-CG1 3.26Å; L209-I213 PolarHBondContact O-N 3.17Å; L209-M249 HydrophobicContact CB-CB 4.17Å; L209-M249 HydrophobicContact CB-CG 3.84Å; L209-M249 HydrophobicContact CB-SD 4.23Å; L209-M249 HydrophobicContact CD1-CB 3.87Å; L209-M249 HydrophobicContact CD1-CG 4.38Å; L209-I252 HydrophobicContact CD2-CB 4.19Å; L209-I252 HydrophobicContact CD2-CD1 4.5Å; L209-I252 HydrophobicContact CD2-CG2 3.73Å; L209-V253 HydrophobicContact CD1-CG2 3.75Å; L209-V253 HydrophobicContact CD2-CG2 4.36Å; L209-L323 HydrophobicContact CD2-CD2 3.91Å
210S91.1Very high87.3Confident41 Ų4135.8 Ų35.829%0.28719%0.188SC..Hα-helixtrans-61-48.5176.4-163.20000111.5N206 M207 A208 I212 I213 D214N206-S210 WeakPolarHBondContact O-CB 3.31Å; N206-S210 PolarHBondContact O-N 3.11Å; M207-S210 PolarHBondContact O-N 3.48Å; A208-S210 VanDerWaalsContact C-N 3.32Å; A208-S210 PolarHBondContact O-N 3.3Å; S210-I212 VanDerWaalsContact C-N 3.3Å; S210-I212 PolarHBondContact O-N 3.02Å; S210-I213 PolarHBondContact O-N 3.32Å; S210-I213 VanDerWaalsContact O-N 3.13Å; S210-D214 PolarHBondContact O-N 2.85Å
211N90.7Very high85.2Confident88 Ų8840 Ų4047%0.47122%0.217SC..Hα-helixtrans-59.5-40.7179-69.6-31.5000112.1M207 A208 K215M207-N211 PolarHBondContact O-N 2.9Å; M207-N211 PolarHBondContact O-ND2 3.12Å; A208-N211 PolarHBondContact O-N 3.47Å; N211-K215 WeakPolarHBondContact O-CB 3.41Å; N211-K215 PolarHBondContact O-N 2.83Å
212I89.5Confident82.7Confident7 Ų747.1 Ų47.14%0.03626%0.255CS..Hα-helixtrans-60.7-48.7175.2-70.3160.6000110.4A208 L209 S210 D214 K215 V216 I252 F297 Q322 L323A208-I212 WeakPolarHBondContact O-CD1 3.29Å; A208-I212 VanDerWaalsContact O-CG1 3.3Å; A208-I212 WeakPolarHBondContact O-CG1 3.11Å; A208-I212 PolarHBondContact O-N 3.06Å; L209-I212 PolarHBondContact O-N 3.14Å; S210-I212 VanDerWaalsContact C-N 3.3Å; S210-I212 PolarHBondContact O-N 3.02Å; I212-D214 PolarHBondContact O-N 3.48Å; I212-K215 PolarHBondContact O-N 3.04Å; I212-V216 HydrophobicContact CG2-CG2 4.4Å; I212-V216 WeakPolarHBondContact O-CG2 3.4Å; I212-V216 PolarHBondContact O-N 3.25Å; I212-I252 HydrophobicContact CB-CD1 4.33Å; I212-I252 HydrophobicContact CG2-CD1 3.77Å; I212-F297 HydrophobicContact CB-CE2 4.34Å; I212-F297 HydrophobicContact CD1-CE1 4.05Å; I212-F297 HydrophobicContact CD1-CE2 3.93Å; I212-F297 HydrophobicContact CD1-CZ 3.46Å; I212-F297 VanDerWaalsContact CD1-CZ 3.46Å; I212-F297 HydrophobicContact CG1-CE2 3.89Å; I212-F297 HydrophobicContact CG1-CZ 3.97Å; I212-F297 HydrophobicContact CG2-CB 4.48Å; I212-F297 HydrophobicContact CG2-CD1 4.21Å; I212-F297 HydrophobicContact CG2-CD2 3.42Å; I212-F297 VanDerWaalsContact CG2-CD2 3.42Å; I212-F297 HydrophobicContact CG2-CE1 4.25Å; I212-F297 HydrophobicContact CG2-CE2 3.47Å; I212-F297 VanDerWaalsContact CG2-CE2 3.47Å; I212-F297 HydrophobicContact CG2-CG 3.81Å; I212-F297 HydrophobicContact CG2-CZ 3.92Å; I212-Q322 WeakPolarHBondContact CD1-O 3.34Å; I212-L323 HydrophobicContact CD1-CD2 3.94Å
213I88.4Confident80.3Confident8 Ų850.9 Ų50.94%0.04128%0.281CS..Hα-helixtrans-62.5-45.6-178.3-69.8163000110.9L209 S210 K215 V216 K217 D248 M249 I252L209-I213 WeakPolarHBondContact O-CD1 3.47Å; L209-I213 VanDerWaalsContact O-CG1 3.28Å; L209-I213 WeakPolarHBondContact O-CG1 3.26Å; L209-I213 PolarHBondContact O-N 3.17Å; S210-I213 PolarHBondContact O-N 3.32Å; S210-I213 VanDerWaalsContact O-N 3.13Å; I213-K215 VanDerWaalsContact C-N 3.29Å; I213-K215 PolarHBondContact O-N 3.48Å; I213-V216 PolarHBondContact O-N 3.41Å; I213-K217 HydrophobicContact CG2-CD 3.82Å; I213-K217 VanDerWaalsContact CG2-CE 3.44Å; I213-K217 HydrophobicContact CG2-CG 4.4Å; I213-K217 WeakPolarHBondContact O-CB 3.22Å; I213-K217 WeakPolarHBondContact O-CG 3.49Å; I213-K217 PolarHBondContact O-N 2.7Å; I213-D248 HydrophobicContact CD1-CB 3.61Å; I213-D248 HydrophobicContact CG1-CB 4.03Å; I213-D248 HydrophobicContact CG2-CB 4.37Å; I213-M249 HydrophobicContact CD1-CB 4.13Å; I213-M249 HydrophobicContact CD1-CE 4.35Å; I213-M249 HydrophobicContact CD1-CG 3.25Å; I213-I252 HydrophobicContact CD1-CD1 4.28Å; I213-I252 HydrophobicContact CG1-CD1 3.81Å
214D86.5Confident77.3Confident75 Ų7561.5 Ų61.540%0.40133%0.327SS..Hα-helixtrans-61.1-41.3178.8-69.9-24.6000111.1S210 I212 K217 N218S210-D214 PolarHBondContact O-N 2.85Å; I212-D214 PolarHBondContact O-N 3.48Å; D214-K217 PolarHBondContact O-N 3.48Å; D214-N218 WeakPolarHBondContact O-CB 3.32Å; D214-N218 PolarHBondContact O-N 3.36Å; D214-N218 PolarHBondContact O-ND2 2.8Å; D214-N218 VanDerWaalsContact O-ND2 3.13Å
215K82.7Confident74.4Confident74 Ų7464 Ų6432%0.32235%0.354SS..Hα-helixtrans-63.7-47175.1-171.7177.5179-176.40112.2N211 I212 I213 K217 N218 V219 D320N211-K215 WeakPolarHBondContact O-CB 3.41Å; N211-K215 PolarHBondContact O-N 2.83Å; I212-K215 PolarHBondContact O-N 3.04Å; I213-K215 VanDerWaalsContact C-N 3.29Å; I213-K215 PolarHBondContact O-N 3.48Å; K215-K217 VanDerWaalsContact C-N 3.27Å; K215-K217 PolarHBondContact O-N 2.95Å; K215-N218 PolarHBondContact O-N 2.83Å; K215-V219 WeakPolarHBondContact O-CG2 3.48Å; K215-V219 PolarHBondContact O-N 2.88Å; K215-D320 HydrophobicContact CD-CB 3.99Å; K215-D320 IonicContact NZ-OD2 3.65Å; K215-D320 PolarHBondContact NZ-OD2 2.53Å
216V79.3Confident71.4Confident15 Ų1571 Ų719%0.09139%0.391CS..Hα-helixtrans-61.6-38178.5172.60000111.1I212 I213 H220 T299I212-V216 HydrophobicContact CG2-CG2 4.4Å; I212-V216 WeakPolarHBondContact O-CG2 3.4Å; I212-V216 PolarHBondContact O-N 3.25Å; I213-V216 PolarHBondContact O-N 3.41Å; V216-H220 PolarHBondContact O-ND1 2.95Å; V216-T299 HydrophobicContact CB-CG2 4.34Å; V216-T299 HydrophobicContact CG1-CG2 3.86Å
217K78.8Confident68.7Low79 Ų7974.6 Ų74.634%0.34341%0.414SS..Hα-helixtrans-65.7-45.5174.9-74.7174.6-179.9168.50111.7I213 D214 K215 H220 C221 D248I213-K217 HydrophobicContact CG2-CD 3.82Å; I213-K217 VanDerWaalsContact CG2-CE 3.44Å; I213-K217 HydrophobicContact CG2-CG 4.4Å; I213-K217 WeakPolarHBondContact O-CB 3.22Å; I213-K217 WeakPolarHBondContact O-CG 3.49Å; I213-K217 PolarHBondContact O-N 2.7Å; D214-K217 PolarHBondContact O-N 3.48Å; K215-K217 VanDerWaalsContact C-N 3.27Å; K215-K217 PolarHBondContact O-N 2.95Å; K217-H220 PolarHBondContact O-N 2.74Å; K217-C221 PolarHBondContact O-N 2.76Å; K217-C221 PolarHBondContact O-SG 3.47Å; K217-C221 VanDerWaalsContact O-SG 3.39Å; K217-D248 IonicContact NZ-OD2 3.78Å; K217-D248 PolarHBondContact NZ-OD2 3.02Å
218N72.5Confident65.9Low106 Ų10678.1 Ų78.157%0.56743%0.434SS*.Hα-helixtrans-67.5-38.8-176.9-73.5-25000113.9D214 K215 H220 C221D214-N218 WeakPolarHBondContact O-CB 3.32Å; D214-N218 PolarHBondContact O-N 3.36Å; D214-N218 PolarHBondContact O-ND2 2.8Å; D214-N218 VanDerWaalsContact O-ND2 3.13Å; K215-N218 PolarHBondContact O-N 2.83Å; N218-H220 PolarHBondContact O-N 2.91Å; N218-H220 VanDerWaalsContact O-N 3.15Å; N218-C221 PolarHBondContact O-N 2.8Å
219V64Low63Low85 Ų8584.8 Ų84.852%0.51546%0.464SS..Hα-helixtrans-58.9-30.3180170.30000112.2K215K215-V219 WeakPolarHBondContact O-CG2 3.48Å; K215-V219 PolarHBondContact O-N 2.88Å
220H53.4Low60.4Low56 Ų5688.1 Ų88.126%0.25949%0.487SS..Hα-helixtrans-98.2-16.9-174.4-64.488.1000114.1V216 K217 N218 N222 S223V216-H220 PolarHBondContact O-ND1 2.95Å; K217-H220 PolarHBondContact O-N 2.74Å; N218-H220 PolarHBondContact O-N 2.91Å; N218-H220 VanDerWaalsContact O-N 3.15Å; H220-N222 PolarHBondContact O-N 3.33Å; H220-S223 PolarHBondContact O-N 2.86Å; H220-S223 VanDerWaalsContact O-N 3.13Å
221C50.2Low57.9Low90 Ų9090.4 Ų90.461%0.60850%0.5SS*.Hα-helixtrans-65.2-22.5171.9-69.50000112.8K217 N218 S223K217-C221 PolarHBondContact O-N 2.76Å; K217-C221 PolarHBondContact O-SG 3.47Å; K217-C221 VanDerWaalsContact O-SG 3.39Å; N218-C221 PolarHBondContact O-N 2.8Å; C221-S223 VanDerWaalsContact C-N 3.33Å
222N46.2Very low55.3Low149 Ų14988.4 Ų88.480%0.79750%0.5SS*.THydrogen-bonded Turntrans-83.1-9.2176-69.5-16.7000113.7H220H220-N222 PolarHBondContact O-N 3.33Å
223S47.6Very low53Low79 Ų7989.3 Ų89.355%0.55251%0.507SS*.  trans-107.994.3177.6-63.20000108.8H220 C221 G225H220-S223 PolarHBondContact O-N 2.86Å; H220-S223 VanDerWaalsContact O-N 3.13Å; C221-S223 VanDerWaalsContact C-N 3.33Å; S223-G225 PolarHBondContact O-N 3.39Å
224K34.6Very low51Low223 Ų22392.7 Ų92.797%0.9754%0.536SS*.  trans-65.375.8167.5-72.7-175.5178.4179.10109.6
225G37.4Very low49.1Very low54 Ų5490.3 Ų90.356%0.55752%0.523SS*.  trans-127.2130.7175.400000109.1S223 V227S223-G225 PolarHBondContact O-N 3.39Å; G225-V227 PolarHBondContact O-N 3.07Å; G225-V227 VanDerWaalsContact O-N 3.17Å
226N32.8Very low47.2Very low158 Ų15888.9 Ų88.985%0.84552%0.522SS*.  trans-44.1120.2178-79.4-16.8000111.2N228N226-N228 VanDerWaalsContact C-N 3.31Å; N226-N228 PolarHBondContact O-N 2.94Å
227V37.1Very low45.1Very low108 Ų10892.8 Ų92.866%0.65555%0.548SS*.  trans-68.393.5169.4179.90000106.9G225 E229G225-V227 PolarHBondContact O-N 3.07Å; G225-V227 VanDerWaalsContact O-N 3.17Å; V227-E229 HydrophobicContact CG1-CG 4.33Å; V227-E229 PolarHBondContact O-N 3.17Å
228N34.7Very low43.1Very low137 Ų13794.8 Ų94.873%0.73356%0.556SS**  trans-71.6105.3160.4-76.8-11.8000106.5N226 S230N226-N228 VanDerWaalsContact C-N 3.31Å; N226-N228 PolarHBondContact O-N 2.94Å; N228-S230 VanDerWaalsContact C-N 3.26Å; N228-S230 PolarHBondContact O-N 3.41Å; N228-S230 PolarHBondContact O-OG 3.35Å
229E32.6Very low41.4Very low147 Ų14797.6 Ų97.669%0.68757%0.566SS**  trans-67.379.8174.8-61.8-178.3163.600111.5V227 K238V227-E229 HydrophobicContact CG1-CG 4.33Å; V227-E229 PolarHBondContact O-N 3.17Å; E229-K238 PolarHBondContact O-NZ 3.06Å; E229-K238 IonicContact OE2-NZ 2.75Å; E229-K238 PolarHBondContact OE2-NZ 3.17Å
230S38.4Very low40.2Very low71 Ų71101.5 Ų101.550%0.49758%0.582SS.*  trans-107.6130.5164.948.60000107.5N228N228-S230 VanDerWaalsContact C-N 3.26Å; N228-S230 PolarHBondContact O-N 3.41Å; N228-S230 PolarHBondContact O-OG 3.35Å
231T39.4Very low40Very low89 Ų89106.1 Ų106.155%0.54660%0.601SS.*  cis-156.7120.121.33.10000105.5D381T231-D381 PolarHBondContact OG1-OD1 3.48Å
232G35.8Very low39.9Very low47 Ų47107.2 Ų107.249%0.48561%0.607SS.*  trans-70.5140.7170.400000109.8A234G232-A234 PolarHBondContact O-N 3.3Å
233S41.5Very low40.7Very low26 Ų26104.4 Ų104.418%0.18260%0.599CS.*  trans-49.2132.8163.2172.40000108.5D22 I235 C236D22-S233 PolarHBondContact OD1-OG 3.1Å; S233-I235 PolarHBondContact O-N 3.42Å; S233-C236 CarbonylContact O-C 3.55Å; S233-C236 PolarHBondContact O-N 3.06Å
234A45Very low41.7Very low79 Ų79104.6 Ų104.665%0.65359%0.59SS**THydrogen-bonded Turntrans-58.6-15.7-178.600000112.9G232G232-A234 PolarHBondContact O-N 3.3Å
235I46.2Very low43.3Very low25 Ų2598.9 Ų98.913%0.12858%0.576CS.*THydrogen-bonded Turntrans-91.2-21.1-177.8-51.2176.3000111.8L25 I59 P83 L84 S233 P237L25-I235 HydrophobicContact CB-CD1 3.73Å; L25-I235 HydrophobicContact CD1-CD1 4Å; L25-I235 HydrophobicContact CG-CD1 4.46Å; I59-I235 HydrophobicContact CD1-CB 4.45Å; I59-I235 HydrophobicContact CD1-CD1 3.78Å; I59-I235 HydrophobicContact CD1-CG1 3.81Å; I59-I235 HydrophobicContact CD1-CG2 3.87Å; P83-I235 HydrophobicContact CB-CG2 4.48Å; L84-I235 HydrophobicContact CD2-CG2 3.99Å; S233-I235 PolarHBondContact O-N 3.42Å; I235-P237 WeakPolarHBondContact O-CD 3.24Å
236C43.2Very low45.6Very low43 Ų43101.2 Ų101.229%0.29157%0.571SS.*SBendtrans-11985.4179.4-68.50000110.4P83 S233 K238P83-C236 WeakPolarHBondContact CG-SG 3.3Å; S233-C236 CarbonylContact O-C 3.55Å; S233-C236 PolarHBondContact O-N 3.06Å; C236-K238 PolarHBondContact O-N 3.39Å
237P36.4Very low48.2Very low97 Ų9795.9 Ų95.963%0.6354%0.542SS*.  trans-56.8136.7170.822.5-29.6000109.1I235 H239I235-P237 WeakPolarHBondContact O-CD 3.24Å; P237-H239 PolarHBondContact O-N 2.93Å
238K37.2Very low50.8Low122 Ų12291.7 Ų91.753%0.5352%0.516SS..  trans-53.379.3-178.3-70.1-178.6178.8176.20111.7E229 C236 I240E229-K238 PolarHBondContact O-NZ 3.06Å; E229-K238 IonicContact OE2-NZ 2.75Å; E229-K238 PolarHBondContact OE2-NZ 3.17Å; C236-K238 PolarHBondContact O-N 3.39Å; K238-I240 PolarHBondContact O-N 2.92Å
239H36Very low53.5Low164 Ų16486.3 Ų86.376%0.75949%0.487SS*.  trans-78.3111.4150.8-84-70.9000105.3P237 K241P237-H239 PolarHBondContact O-N 2.93Å; H239-K241 PolarHBondContact O-N 2.95Å
240I39.4Very low56.5Low168 Ų16879.9 Ų79.986%0.86246%0.457SS*.  trans-62.674.7171.9-56.5161.9000106.9K238K238-I240 PolarHBondContact O-N 2.92Å
241K47.6Very low59.1Low153 Ų15376.7 Ų76.767%0.66544%0.435SS*.PPolyproline II helixtrans-81.3137.9158.7-78.8-172.6176.2-177.40106.1H239 S243H239-K241 PolarHBondContact O-N 2.95Å; K241-S243 PolarHBondContact O-N 3.06Å; K241-S243 VanDerWaalsContact O-N 3.16Å
242P49.5Very low61.7Low113 Ų11372.5 Ų72.573%0.73441%0.409SS*.PPolyproline II helixtrans-52.9126.7168.323.3-31.1000107.8K244P242-K244 PolarHBondContact O-N 2.78Å
243S63.4Low64.6Low90 Ų9070.2 Ų70.263%0.62939%0.386SS*.PPolyproline II helixtrans-52.4124.617554.90000107.8K241K241-S243 PolarHBondContact O-N 3.06Å; K241-S243 VanDerWaalsContact O-N 3.16Å
244K67.3Low67.1Low83 Ų8369 Ų6936%0.36138%0.377SS..PPolyproline II helixtrans-68.1156.4-178.3-65.9178174.3-176.30109.8E78 P242 F246 D247E78-K244 WeakPolarHBondContact OE1-CE 3.12Å; E78-K244 IonicContact OE1-NZ 2.61Å; E78-K244 PolarHBondContact OE1-NZ 3.22Å; E78-K244 IonicContact OE2-NZ 3.54Å; E78-K244 PolarHBondContact OE2-NZ 2.86Å; P242-K244 PolarHBondContact O-N 2.78Å; K244-F246 PolarHBondContact O-N 2.92Å; K244-D247 WeakPolarHBondContact CB-OD2 3.36Å; K244-D247 PolarHBondContact N-OD2 3.27Å; K244-D247 PolarHBondContact O-N 3.18Å
245P67.5Low69.5Low103 Ų10365.9 Ų65.967%0.66935%0.349SS*.THydrogen-bonded Turntrans-50.4138.4161.9-19.932.1000108.7D247P245-D247 PolarHBondContact O-N 2.91Å
246F86Confident71.8Confident103 Ų10364.7 Ų64.745%0.45234%0.343SS..THydrogen-bonded Turntrans77-11.3-178.6-48.8-79.4000118.3K244 D248 M249 N250K244-F246 PolarHBondContact O-N 2.92Å; F246-D248 VanDerWaalsContact C-N 3.34Å; F246-D248 PolarHBondContact O-N 3.35Å; F246-M249 HydrophobicContact CD1-SD 3.57Å; F246-M249 VanDerWaalsContact CD1-SD 3.57Å; F246-M249 HydrophobicContact CE1-SD 4.11Å; F246-M249 WeakPolarHBondContact O-CA 3.28Å; F246-M249 WeakPolarHBondContact O-CB 3.17Å; F246-M249 PolarHBondContact O-N 3.3Å; F246-N250 WeakPolarHBondContact O-CB 3.35Å; F246-N250 PolarHBondContact O-N 2.69Å; F246-N250 PolarHBondContact O-ND2 3.5Å
247D89Confident74.3Confident46 Ų4662.6 Ų62.625%0.24633%0.329CS..Hα-helixtrans-57.6-44-178.4-78.7-12.4000112.8K244 P245 M249 N250 N251 I300K244-D247 WeakPolarHBondContact CB-OD2 3.36Å; K244-D247 PolarHBondContact N-OD2 3.27Å; K244-D247 PolarHBondContact O-N 3.18Å; P245-D247 PolarHBondContact O-N 2.91Å; D247-M249 VanDerWaalsContact C-N 3.32Å; D247-M249 PolarHBondContact O-N 3.12Å; D247-N250 PolarHBondContact O-N 2.91Å; D247-N251 WeakPolarHBondContact O-CB 3.41Å; D247-N251 PolarHBondContact O-N 2.96Å; D247-I300 HydrophobicContact CB-CD1 3.58Å; D247-I300 WeakPolarHBondContact O-CD1 3.44Å
248D90.2Very high77.1Confident20 Ų2058.1 Ų58.111%0.10730%0.3CS..Hα-helixtrans-63.5-36.8176.2-76.7-32.5000112I213 K217 F246 N251 I252I213-D248 HydrophobicContact CD1-CB 3.61Å; I213-D248 HydrophobicContact CG1-CB 4.03Å; I213-D248 HydrophobicContact CG2-CB 4.37Å; K217-D248 IonicContact NZ-OD2 3.78Å; K217-D248 PolarHBondContact NZ-OD2 3.02Å; F246-D248 VanDerWaalsContact C-N 3.34Å; F246-D248 PolarHBondContact O-N 3.35Å; D248-N251 WeakPolarHBondContact O-CB 3.48Å; D248-N251 PolarHBondContact O-N 2.82Å; D248-I252 WeakPolarHBondContact O-CG1 3.45Å; D248-I252 PolarHBondContact O-N 2.94Å
249M92.6Very high79.8Confident24 Ų2452.4 Ų52.412%0.11828%0.275CS..Hα-helixtrans-68.4-48.2178.1-66.7-177.4178.900110.3L209 I213 F246 D247 N251 I252 V253L209-M249 HydrophobicContact CB-CB 4.17Å; L209-M249 HydrophobicContact CB-CG 3.84Å; L209-M249 HydrophobicContact CB-SD 4.23Å; L209-M249 HydrophobicContact CD1-CB 3.87Å; L209-M249 HydrophobicContact CD1-CG 4.38Å; I213-M249 HydrophobicContact CD1-CB 4.13Å; I213-M249 HydrophobicContact CD1-CE 4.35Å; I213-M249 HydrophobicContact CD1-CG 3.25Å; F246-M249 HydrophobicContact CD1-SD 3.57Å; F246-M249 VanDerWaalsContact CD1-SD 3.57Å; F246-M249 HydrophobicContact CE1-SD 4.11Å; F246-M249 WeakPolarHBondContact O-CA 3.28Å; F246-M249 WeakPolarHBondContact O-CB 3.17Å; F246-M249 PolarHBondContact O-N 3.3Å; D247-M249 VanDerWaalsContact C-N 3.32Å; D247-M249 PolarHBondContact O-N 3.12Å; M249-N251 PolarHBondContact O-N 2.81Å; M249-I252 WeakPolarHBondContact O-CB 3.38Å; M249-I252 PolarHBondContact O-N 3.09Å; M249-V253 PolarHBondContact O-N 2.82Å; M249-V253 VanDerWaalsContact O-N 3.17Å
250N94.6Very high82.6Confident12 Ų1244.8 Ų44.86%0.06424%0.24CC..Hα-helixtrans-58.7-35.9176.7-65-20.9000111Q15 I16 R19 F246 D247 V253 A254Q15-N250 PolarHBondContact OE1-ND2 2.9Å; I16-N250 HydrophobicContact CG1-CB 4.38Å; I16-N250 WeakPolarHBondContact CG1-OD1 3.26Å; R19-N250 HydrophobicContact CB-CB 4.43Å; F246-N250 WeakPolarHBondContact O-CB 3.35Å; F246-N250 PolarHBondContact O-N 2.69Å; F246-N250 PolarHBondContact O-ND2 3.5Å; D247-N250 PolarHBondContact O-N 2.91Å; N250-V253 PolarHBondContact O-N 2.77Å; N250-A254 WeakPolarHBondContact O-CB 3.3Å; N250-A254 PolarHBondContact O-N 2.71Å
251N93.4Very high85.2Confident3 Ų336.8 Ų36.82%0.01620%0.199CC..Hα-helixtrans-62.4-41.6174.7-169.675.4000112.7R19 D247 D248 M249 N255 S298 I300R19-N251 VanDerWaalsContact CZ-OD1 3.3Å; R19-N251 PolarHBondContact NE-OD1 2.8Å; R19-N251 PolarHBondContact NH2-OD1 2.9Å; D247-N251 WeakPolarHBondContact O-CB 3.41Å; D247-N251 PolarHBondContact O-N 2.96Å; D248-N251 WeakPolarHBondContact O-CB 3.48Å; D248-N251 PolarHBondContact O-N 2.82Å; M249-N251 PolarHBondContact O-N 2.81Å; N251-N255 PolarHBondContact ND2-ND2 3.48Å; N251-N255 PolarHBondContact O-N 3.23Å; N251-N255 PolarHBondContact O-ND2 3.27Å; N251-S298 PolarHBondContact ND2-O 3.44Å; N251-I300 HydrophobicContact CB-CD1 4.38Å; N251-I300 HydrophobicContact CB-CG1 3.92Å
252I94Very high87.3Confident1 Ų129.6 Ų29.61%0.00517%0.168CC..Hα-helixtrans-62.8-47.5177.6-66.3169.2000110L209 I212 I213 D248 M249 N255 M256 Q294 F297 L323L209-I252 HydrophobicContact CD2-CB 4.19Å; L209-I252 HydrophobicContact CD2-CD1 4.5Å; L209-I252 HydrophobicContact CD2-CG2 3.73Å; I212-I252 HydrophobicContact CB-CD1 4.33Å; I212-I252 HydrophobicContact CG2-CD1 3.77Å; I213-I252 HydrophobicContact CD1-CD1 4.28Å; I213-I252 HydrophobicContact CG1-CD1 3.81Å; D248-I252 WeakPolarHBondContact O-CG1 3.45Å; D248-I252 PolarHBondContact O-N 2.94Å; M249-I252 WeakPolarHBondContact O-CB 3.38Å; M249-I252 PolarHBondContact O-N 3.09Å; I252-N255 PolarHBondContact O-N 2.88Å; I252-M256 PolarHBondContact O-N 2.95Å; I252-Q294 VanDerWaalsContact CG2-NE2 3.26Å; I252-Q294 PolarHBondContact O-NE2 3.47Å; I252-F297 HydrophobicContact CG1-CD1 4.42Å; I252-F297 HydrophobicContact CG2-CD1 3.93Å; I252-F297 HydrophobicContact CG2-CE1 3.81Å; I252-L323 HydrophobicContact CG2-CD2 3.62Å
253V96.1Very high89.1Confident0 Ų025 Ų250%014%0.139CC..Hα-helixtrans-64.6-44.6179.8-179.20000111.5I16 I170 I204 L209 M249 N250 N255 M256 L257I16-V253 HydrophobicContact CD1-CG1 4.17Å; I16-V253 HydrophobicContact CG1-CG1 4.43Å; I16-V253 HydrophobicContact CG2-CB 4.1Å; I16-V253 HydrophobicContact CG2-CG1 3.52Å; I170-V253 HydrophobicContact CG2-CG1 4.38Å; I204-V253 HydrophobicContact CD1-CB 4.33Å; I204-V253 HydrophobicContact CD1-CG1 3.48Å; I204-V253 VanDerWaalsContact CD1-CG1 3.48Å; I204-V253 HydrophobicContact CD1-CG2 3.91Å; I204-V253 HydrophobicContact CG2-CG2 3.97Å; L209-V253 HydrophobicContact CD1-CG2 3.75Å; L209-V253 HydrophobicContact CD2-CG2 4.36Å; M249-V253 PolarHBondContact O-N 2.82Å; M249-V253 VanDerWaalsContact O-N 3.17Å; N250-V253 PolarHBondContact O-N 2.77Å; V253-N255 VanDerWaalsContact C-N 3.34Å; V253-N255 PolarHBondContact O-N 3Å; V253-M256 HydrophobicContact CG1-CE 4.04Å; V253-M256 WeakPolarHBondContact O-CB 3.39Å; V253-M256 PolarHBondContact O-N 2.79Å; V253-M256 VanDerWaalsContact O-N 3.1Å; V253-L257 PolarHBondContact O-N 3.5Å
254A95.3Very high90.2Very high0 Ų021.5 Ų21.50%011%0.114CC..Hα-helixtrans-59.9-42177.200000112.3R19 F20 L23 N250 M256 L257 L258R19-A254 HydrophobicContact CB-CB 4.14Å; R19-A254 HydrophobicContact CG-CB 3.82Å; F20-A254 HydrophobicContact CB-CB 4.12Å; L23-A254 HydrophobicContact CD1-CB 3.84Å; N250-A254 WeakPolarHBondContact O-CB 3.3Å; N250-A254 PolarHBondContact O-N 2.71Å; A254-M256 VanDerWaalsContact C-N 3.32Å; A254-M256 PolarHBondContact O-N 2.92Å; A254-L257 PolarHBondContact O-N 3.46Å; A254-L258 WeakPolarHBondContact O-CG 3.23Å; A254-L258 PolarHBondContact O-N 3.23Å
255N94.4Very high91.1Very high13 Ų1317.6 Ų17.67%0.0710%0.097CC..Hα-helixtrans-64.5-36.9174.1-81.5-76.7000112.3N251 I252 V253 L258 N259 S298N251-N255 PolarHBondContact ND2-ND2 3.48Å; N251-N255 PolarHBondContact O-N 3.23Å; N251-N255 PolarHBondContact O-ND2 3.27Å; I252-N255 PolarHBondContact O-N 2.88Å; V253-N255 VanDerWaalsContact C-N 3.34Å; V253-N255 PolarHBondContact O-N 3Å; N255-L258 PolarHBondContact O-N 3.26Å; N255-N259 WeakPolarHBondContact O-CB 3.38Å; N255-N259 PolarHBondContact O-N 3.48Å; N255-N259 PolarHBondContact O-ND2 3.32Å; N255-N259 VanDerWaalsContact O-ND2 3.1Å; N255-S298 PolarHBondContact ND2-OG 3.01Å
256M95.7Very high92.1Very high0 Ų013.1 Ų13.10%07%0.067CC..Hα-helixtrans-62.5-43.5174.9177.9-99.7-60.900111.2L202 I204 I252 V253 A254 L258 N259 L260 A292 L323 L387L202-M256 HydrophobicContact CD2-SD 3.97Å; I204-M256 HydrophobicContact CD1-CE 3.57Å; I204-M256 HydrophobicContact CG1-CE 3.8Å; I252-M256 PolarHBondContact O-N 2.95Å; V253-M256 HydrophobicContact CG1-CE 4.04Å; V253-M256 WeakPolarHBondContact O-CB 3.39Å; V253-M256 PolarHBondContact O-N 2.79Å; V253-M256 VanDerWaalsContact O-N 3.1Å; A254-M256 VanDerWaalsContact C-N 3.32Å; A254-M256 PolarHBondContact O-N 2.92Å; M256-L258 PolarHBondContact O-N 2.89Å; M256-N259 PolarHBondContact O-N 2.84Å; M256-L260 WeakPolarHBondContact O-CB 3.4Å; M256-L260 PolarHBondContact O-N 2.99Å; M256-A292 HydrophobicContact CG-CB 4.25Å; M256-A292 HydrophobicContact SD-CB 4.34Å; M256-L323 HydrophobicContact CB-CD1 3.95Å; M256-L323 HydrophobicContact CE-CD1 3.74Å; M256-L323 HydrophobicContact CG-CD1 3.71Å; M256-L323 HydrophobicContact SD-CD1 4.45Å; M256-L387 HydrophobicContact CG-CD1 3.72Å; M256-L387 HydrophobicContact CG-CD2 4.42Å
257L95.9Very high92Very high0 Ų015.9 Ų15.90%08%0.082CC..Hα-helixtrans-62.3-40.9173.7-67.4173.2000112.8I16 F20 F137 L139 I170 V253 A254 N259 L260 T261I16-L257 HydrophobicContact CG2-CD1 4.15Å; F20-L257 HydrophobicContact CB-CD1 4.47Å; F20-L257 HydrophobicContact CD2-CB 3.63Å; F20-L257 HydrophobicContact CD2-CD1 4.24Å; F20-L257 HydrophobicContact CE2-CB 3.75Å; F20-L257 HydrophobicContact CG-CD1 4.42Å; F137-L257 HydrophobicContact CD1-CD2 4.47Å; L139-L257 HydrophobicContact CD1-CD1 4.12Å; L139-L257 HydrophobicContact CD2-CD1 3.95Å; L139-L257 HydrophobicContact CD2-CD2 4.4Å; I170-L257 HydrophobicContact CD1-CD2 3.8Å; I170-L257 HydrophobicContact CG1-CD2 3.85Å; V253-L257 PolarHBondContact O-N 3.5Å; A254-L257 PolarHBondContact O-N 3.46Å; L257-N259 VanDerWaalsContact C-N 3.33Å; L257-N259 PolarHBondContact O-N 2.79Å; L257-L260 PolarHBondContact O-N 3.46Å; L257-T261 WeakPolarHBondContact O-CB 3.49Å; L257-T261 WeakPolarHBondContact O-CG2 3.42Å; L257-T261 PolarHBondContact O-N 3.31Å; L257-T261 PolarHBondContact O-OG1 3.29Å
258L94.2Very high91.8Very high2 Ų214.5 Ų14.51%0.018%0.078CC..Hα-helixtrans-63.7-39.8175.2-71.7176.1000112.4F20 L23 A24 A254 N255 M256 S262 R265F20-L258 HydrophobicContact CD2-CD2 3.97Å; F20-L258 HydrophobicContact CD2-CG 4.06Å; F20-L258 HydrophobicContact CE2-CD2 3.67Å; F20-L258 HydrophobicContact CE2-CG 4.11Å; L23-L258 HydrophobicContact CB-CD1 3.42Å; L23-L258 VanDerWaalsContact CB-CD1 3.42Å; L23-L258 HydrophobicContact CD1-CD1 4.26Å; L23-L258 HydrophobicContact CG-CD1 4.49Å; A24-L258 HydrophobicContact CB-CD2 3.78Å; A254-L258 WeakPolarHBondContact O-CG 3.23Å; A254-L258 PolarHBondContact O-N 3.23Å; N255-L258 PolarHBondContact O-N 3.26Å; M256-L258 PolarHBondContact O-N 2.89Å; L258-S262 PolarHBondContact O-N 3.26Å; L258-S262 VanDerWaalsContact O-N 3.14Å; L258-R265 PolarHBondContact O-NH2 2.84Å
259N94.3Very high91.7Very high3 Ų317.8 Ų17.82%0.01610%0.099CC..Hα-helixtrans-67.9-42.6177.4-69.4-29.8000111.4N255 M256 L257 T261 S262 Q294 R341 C385 L387N255-N259 WeakPolarHBondContact O-CB 3.38Å; N255-N259 PolarHBondContact O-N 3.48Å; N255-N259 PolarHBondContact O-ND2 3.32Å; N255-N259 VanDerWaalsContact O-ND2 3.1Å; M256-N259 PolarHBondContact O-N 2.84Å; L257-N259 VanDerWaalsContact C-N 3.33Å; L257-N259 PolarHBondContact O-N 2.79Å; N259-T261 VanDerWaalsContact C-N 3.32Å; N259-T261 PolarHBondContact O-N 2.95Å; N259-S262 WeakPolarHBondContact O-CB 3.16Å; N259-S262 PolarHBondContact O-N 3.3Å; N259-S262 PolarHBondContact O-OG 3.45Å; N259-Q294 PolarHBondContact ND2-OE1 3.13Å; N259-R341 WeakPolarHBondContact OD1-CD 3.35Å; N259-R341 PolarHBondContact OD1-NH1 3.12Å; N259-C385 PolarHBondContact ND2-SG 2.95Å; N259-L387 HydrophobicContact CB-CB 3.82Å; N259-L387 HydrophobicContact CB-CD2 3.8Å; N259-L387 HydrophobicContact CB-CG 4.42Å
260L94.8Very high91.5Very high4 Ų420.7 Ų20.72%0.02111%0.113CC..Hα-helixtrans-58.4-45.5176.2-178.963000111.4F137 L202 M256 L257 S262 L274 I277 L339 L387 L389F137-L260 HydrophobicContact CE1-CD2 3.76Å; F137-L260 HydrophobicContact CZ-CD2 4.23Å; L202-L260 HydrophobicContact CD2-CD2 3.99Å; M256-L260 WeakPolarHBondContact O-CB 3.4Å; M256-L260 PolarHBondContact O-N 2.99Å; L257-L260 PolarHBondContact O-N 3.46Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.38Å; L260-L274 HydrophobicContact CD1-CD2 4.28Å; L260-L274 HydrophobicContact CG-CD2 4.02Å; L260-L274 WeakPolarHBondContact O-CD2 3.49Å; L260-I277 HydrophobicContact CD1-CD1 3.47Å; L260-I277 VanDerWaalsContact CD1-CD1 3.47Å; L260-L339 HydrophobicContact CD1-CD1 3.9Å; L260-L387 HydrophobicContact CB-CD2 3.84Å; L260-L387 HydrophobicContact CD1-CD2 4.44Å; L260-L387 VanDerWaalsContact N-CD2 3.34Å; L260-L389 HydrophobicContact CD1-CD1 3.76Å
261T93.2Very high91Very high0 Ų024.9 Ų24.90%014%0.136CC..THydrogen-bonded Turntrans-92.415.7-175.960.60000113.4F6 F44 F137 L257 N259 S264 R265 L274F6-T261 HydrophobicContact CZ-CG2 4.47Å; F44-T261 HydrophobicContact CE1-CG2 4.44Å; F44-T261 VanDerWaalsContact CZ-CB 3.5Å; F44-T261 HydrophobicContact CZ-CG2 3.82Å; F44-T261 WeakPolarHBondContact CZ-OG1 3.26Å; F137-T261 HydrophobicContact CE2-CG2 3.93Å; F137-T261 HydrophobicContact CZ-CG2 3.7Å; L257-T261 WeakPolarHBondContact O-CB 3.49Å; L257-T261 WeakPolarHBondContact O-CG2 3.42Å; L257-T261 PolarHBondContact O-N 3.31Å; L257-T261 PolarHBondContact O-OG1 3.29Å; N259-T261 VanDerWaalsContact C-N 3.32Å; N259-T261 PolarHBondContact O-N 2.95Å; T261-S264 PolarHBondContact O-OG 2.78Å; T261-S264 VanDerWaalsContact O-OG 3.05Å; T261-R265 WeakPolarHBondContact O-CG 3.42Å; T261-R265 PolarHBondContact O-NE 2.99Å; T261-L274 HydrophobicContact CG2-CD1 4.3Å
262S91.4Very high90.8Very high1 Ų125.1 Ų25.11%0.00714%0.137CC..Hα-helixtrans-67.7-38.7-177.5590000112.5L258 N259 L260 S264 R265 F266L258-S262 PolarHBondContact O-N 3.26Å; L258-S262 VanDerWaalsContact O-N 3.14Å; N259-S262 WeakPolarHBondContact O-CB 3.16Å; N259-S262 PolarHBondContact O-N 3.3Å; N259-S262 PolarHBondContact O-OG 3.45Å; L260-S262 VanDerWaalsContact C-N 3.31Å; L260-S262 PolarHBondContact O-N 3.38Å; S262-S264 PolarHBondContact O-N 3.35Å; S262-R265 PolarHBondContact O-N 3.4Å; S262-F266 PolarHBondContact O-N 2.75Å
263S88.2Confident90.5Very high18 Ų1827.6 Ų27.613%0.12615%0.15CC..Hα-helixtrans-70.6-24.5-179-66.80000114.7R265 V272S263-R265 VanDerWaalsContact C-N 3.34Å; S263-V272 VanDerWaalsContact CB-O 3.23Å; S263-V272 WeakPolarHBondContact CB-O 3.1Å
264S86.2Confident90.2Very high16 Ų1627.8 Ų27.811%0.11215%0.151CC..Hα-helixtrans-79.2-22.5174.459.30000112.4S43 T261 S262S43-S264 PolarHBondContact OG-O 2.84Å; T261-S264 PolarHBondContact O-OG 2.78Å; T261-S264 VanDerWaalsContact O-OG 3.05Å; S262-S264 PolarHBondContact O-N 3.35Å
265R87.1Confident89.9Confident1 Ų129.2 Ų29.20%0.00416%0.159CC..Hα-helixtrans-100.3-38.2-175.6-63.1-179.5-62120.8-1113E27 S40 F44 L258 T261 S262 S263E27-R265 IonicContact OE2-CZ 2.92Å; E27-R265 IonicContact OE2-NH1 4Å; E27-R265 PolarHBondContact OE2-NH1 3.27Å; E27-R265 IonicContact OE2-NH2 2.74Å; E27-R265 PolarHBondContact OE2-NH2 3.15Å; S40-R265 WeakPolarHBondContact CB-O 3.38Å; F44-R265 HydrophobicContact CD2-CG 4.47Å; F44-R265 HydrophobicContact CE2-CG 4.26Å; F44-R265 HydrophobicContact CZ-CG 4.37Å; L258-R265 PolarHBondContact O-NH2 2.84Å; T261-R265 WeakPolarHBondContact O-CG 3.42Å; T261-R265 PolarHBondContact O-NE 2.99Å; S262-R265 PolarHBondContact O-N 3.4Å; S263-R265 VanDerWaalsContact C-N 3.34Å
266F87.6Confident89.7Confident9 Ų931.6 Ų31.64%0.03917%0.17CC..SBendtrans-126.1149.1-170.1-59.7-54.6000111.5E27 H28 A31 S262 C375 V377E27-F266 HydrophobicContact CG-CE2 3.89Å; E27-F266 HydrophobicContact CG-CZ 3.91Å; H28-F266 AromaticContact ND1-CE1 3.94Å; A31-F266 HydrophobicContact CB-CE1 3.79Å; A31-F266 HydrophobicContact CB-CZ 4.17Å; S262-F266 PolarHBondContact O-N 2.75Å; F266-C375 VanDerWaalsContact CB-SG 3.53Å; F266-V377 HydrophobicContact CB-CB 4.01Å; F266-V377 HydrophobicContact CB-CG2 3.75Å; F266-V377 HydrophobicContact CD1-CB 4.4Å; F266-V377 HydrophobicContact CD1-CG1 4.42Å; F266-V377 HydrophobicContact CD1-CG2 4.04Å; F266-V377 HydrophobicContact CD2-CB 3.95Å; F266-V377 HydrophobicContact CD2-CG1 4.04Å; F266-V377 HydrophobicContact CD2-CG2 4.41Å; F266-V377 HydrophobicContact CE2-CG1 4.1Å; F266-V377 HydrophobicContact CG-CB 3.88Å; F266-V377 HydrophobicContact CG-CG1 4.2Å; F266-V377 HydrophobicContact CG-CG2 3.83Å; F266-V377 HydrophobicContact CZ-CG1 4.36Å
267E83.5Confident89.5Confident161 Ų16131.8 Ų31.875%0.75217%0.171SC*.  trans-65.3141.4174.9-62.9-172164.600111.6L376E267-L376 PolarHBondContact O-N 3.25Å
268G86.3Confident89.1Confident17 Ų1732.2 Ų32.218%0.17517%0.174CC..EExtended strand (participates in β ladder)trans-140.1164.8-179.500000111.2M270 N271 H374G268-M270 VanDerWaalsContact C-N 3.31Å; G268-N271 VanDerWaalsContact CA-OD1 3.3Å; G268-N271 WeakPolarHBondContact CA-OD1 3.29Å; G268-N271 PolarHBondContact N-OD1 2.87Å; G268-N271 VanDerWaalsContact N-OD1 3.13Å; G268-H374 CarbonylContact C-O 3.54Å; G268-H374 WeakPolarHBondContact CA-O 3.5Å
269T87.7Confident88.9Confident88 Ų8837.7 Ų37.754%0.5420%0.201SC..EExtended strand (participates in β ladder)trans-79.5-21.8171.470.20000111.6H374 L376T269-H374 PolarHBondContact N-O 2.88Å; T269-H374 PolarHBondContact OG1-ND1 3.08Å; T269-L376 HydrophobicContact CG2-CD1 4.37Å; T269-L376 HydrophobicContact CG2-CD2 3.91Å; T269-L376 HydrophobicContact CG2-CG 4.27Å
270M88.6Confident88.7Confident86 Ų8641.3 Ų41.342%0.42422%0.22SC..EExtended strand (participates in β ladder)trans-138.396.8177-64177.471.300107.8G268 L349 V372 G373 H374G268-M270 VanDerWaalsContact C-N 3.31Å; M270-L349 HydrophobicContact SD-CD2 4.47Å; M270-V372 HydrophobicContact CE-CB 3.97Å; M270-V372 HydrophobicContact CE-CG1 4.29Å; M270-V372 WeakPolarHBondContact CE-O 3.22Å; M270-V372 HydrophobicContact SD-CG1 4.27Å; M270-G373 CarbonylContact O-C 3.51Å; M270-G373 WeakPolarHBondContact O-CA 3.34Å; M270-H374 HydrophobicContact CB-CB 4.16Å; M270-H374 PolarHBondContact N-O 3.3Å; M270-H374 PolarHBondContact O-N 2.87Å
271N84.3Confident88.6Confident99 Ų9941.2 Ų41.253%0.52922%0.219SC..  trans-85.1131.3178.5-60.4-32.2000108.9G268G268-N271 VanDerWaalsContact CA-OD1 3.3Å; G268-N271 WeakPolarHBondContact CA-OD1 3.29Å; G268-N271 PolarHBondContact N-OD1 2.87Å; G268-N271 VanDerWaalsContact N-OD1 3.13Å
272V87.4Confident88.6Confident9 Ų942.4 Ų42.46%0.05523%0.227CC..  trans-110.2125.5174.9177.40000107.2S263 E276 I277 L339 K371 V372S263-V272 VanDerWaalsContact CB-O 3.23Å; S263-V272 WeakPolarHBondContact CB-O 3.1Å; V272-E276 HydrophobicContact CG1-CB 4.31Å; V272-I277 HydrophobicContact CG1-CG1 3.97Å; V272-L339 HydrophobicContact CB-CD2 4.23Å; V272-L339 HydrophobicContact CG1-CD2 4.47Å; V272-L339 HydrophobicContact CG2-CD2 4.22Å; V272-K371 HydrophobicContact CG1-CG 4.05Å; V272-K371 HydrophobicContact CG2-CG 4.14Å; V272-V372 WeakPolarHBondContact CG2-O 3.18Å
273D88.7Confident88.5Confident52 Ų5244.7 Ų44.728%0.27824%0.242SC..  trans-73143.6170.7-166.9-83000109.4Q134 N275 E276 I277Q134-D273 PolarHBondContact NE2-OD1 2.93Å; Q134-D273 PolarHBondContact NE2-OD2 2.86Å; D273-N275 PolarHBondContact O-N 3.44Å; D273-N275 VanDerWaalsContact OD1-CB 3.26Å; D273-N275 WeakPolarHBondContact OD1-CB 3.43Å; D273-N275 PolarHBondContact OD1-N 3.47Å; D273-E276 HydrophobicContact CB-CB 4.35Å; D273-E276 HydrophobicContact CB-CG 3.94Å; D273-E276 PolarHBondContact N-OE2 2.8Å; D273-E276 VanDerWaalsContact O-CB 3.31Å; D273-E276 WeakPolarHBondContact O-CB 3.41Å; D273-E276 PolarHBondContact O-N 3.28Å; D273-I277 PolarHBondContact O-N 2.84Å
274L89Confident88.7Confident4 Ų447.5 Ų47.52%0.02125%0.252CS..Hα-helixtrans-61-33.2179.3-66.4170.5000111.4Q134 F137 M168 L260 T261 E276 I277Q134-L274 VanDerWaalsContact NE2-N 3.1Å; F137-L274 HydrophobicContact CE2-CD1 4Å; F137-L274 HydrophobicContact CZ-CD1 3.89Å; M168-L274 HydrophobicContact CE-CB 4.45Å; M168-L274 WeakPolarHBondContact CE-O 3.47Å; L260-L274 HydrophobicContact CD1-CD2 4.28Å; L260-L274 HydrophobicContact CG-CD2 4.02Å; L260-L274 WeakPolarHBondContact O-CD2 3.49Å; T261-L274 HydrophobicContact CG2-CD1 4.3Å; L274-E276 VanDerWaalsContact C-N 3.29Å; L274-E276 PolarHBondContact O-N 2.91Å; L274-I277 HydrophobicContact CD2-CD1 4.03Å; L274-I277 VanDerWaalsContact O-CB 3.3Å; L274-I277 WeakPolarHBondContact O-CB 3.32Å; L274-I277 PolarHBondContact O-N 2.94Å; L274-I277 VanDerWaalsContact O-N 3.12Å
275N89.1Confident88.8Confident30 Ų3051.7 Ų51.716%0.1628%0.279CS..Hα-helixtrans-70.5-29.2178.5-61-9.2000111Q134 Y166 D273 I277 S278 M279Q134-N275 PolarHBondContact O-ND2 3.16Å; Q134-N275 PolarHBondContact O-OD1 2.98Å; Y166-N275 HydrophobicContact CD2-CB 3.77Å; Y166-N275 WeakPolarHBondContact CD2-OD1 3.49Å; Y166-N275 HydrophobicContact CE2-CB 3.76Å; Y166-N275 HydrophobicContact CG-CB 4.31Å; D273-N275 PolarHBondContact O-N 3.44Å; D273-N275 VanDerWaalsContact OD1-CB 3.26Å; D273-N275 WeakPolarHBondContact OD1-CB 3.43Å; D273-N275 PolarHBondContact OD1-N 3.47Å; N275-I277 PolarHBondContact O-N 3.24Å; N275-S278 PolarHBondContact O-N 3.26Å; N275-M279 HydrophobicContact CB-CE 4.21Å; N275-M279 VanDerWaalsContact O-CG 3.3Å; N275-M279 WeakPolarHBondContact O-CG 3.49Å; N275-M279 PolarHBondContact O-N 3.32Å
276E90.2Very high89.1Confident64 Ų6455.7 Ų55.730%0.29930%0.297SS..Hα-helixtrans-65.4-24.6172.1-72.9-178.9158.400112.7V272 D273 L274 N280 K371V272-E276 HydrophobicContact CG1-CB 4.31Å; D273-E276 HydrophobicContact CB-CB 4.35Å; D273-E276 HydrophobicContact CB-CG 3.94Å; D273-E276 PolarHBondContact N-OE2 2.8Å; D273-E276 VanDerWaalsContact O-CB 3.31Å; D273-E276 WeakPolarHBondContact O-CB 3.41Å; D273-E276 PolarHBondContact O-N 3.28Å; L274-E276 VanDerWaalsContact C-N 3.29Å; L274-E276 PolarHBondContact O-N 2.91Å; E276-N280 VanDerWaalsContact O-CB 3.24Å; E276-N280 WeakPolarHBondContact O-CB 3.5Å; E276-N280 VanDerWaalsContact O-CG 3.3Å; E276-N280 PolarHBondContact O-N 3.29Å; E276-N280 PolarHBondContact O-ND2 3.03Å; E276-K371 VanDerWaalsContact CD-NZ 3.27Å; E276-K371 IonicContact OE1-NZ 2.83Å; E276-K371 PolarHBondContact OE1-NZ 3.28Å; E276-K371 WeakPolarHBondContact OE2-CE 3.25Å; E276-K371 IonicContact OE2-NZ 3.85Å; E276-K371 PolarHBondContact OE2-NZ 3.41Å
277I91Very high89.5Confident4 Ų455.3 Ų55.32%0.02130%0.295CS..Hα-helixtrans-64.3-51.9175.2-60.3177000108.7L260 V272 D273 L274 N275 N280 L281 L290 L339 L389L260-I277 HydrophobicContact CD1-CD1 3.47Å; L260-I277 VanDerWaalsContact CD1-CD1 3.47Å; V272-I277 HydrophobicContact CG1-CG1 3.97Å; D273-I277 PolarHBondContact O-N 2.84Å; L274-I277 HydrophobicContact CD2-CD1 4.03Å; L274-I277 VanDerWaalsContact O-CB 3.3Å; L274-I277 WeakPolarHBondContact O-CB 3.32Å; L274-I277 PolarHBondContact O-N 2.94Å; L274-I277 VanDerWaalsContact O-N 3.12Å; N275-I277 PolarHBondContact O-N 3.24Å; I277-N280 PolarHBondContact O-N 3.26Å; I277-L281 HydrophobicContact CG2-CD2 4.23Å; I277-L281 VanDerWaalsContact O-CB 3.26Å; I277-L281 WeakPolarHBondContact O-CB 3.32Å; I277-L281 WeakPolarHBondContact O-CD1 3.34Å; I277-L281 PolarHBondContact O-N 3.45Å; I277-L290 HydrophobicContact CG2-CD1 3.74Å; I277-L339 HydrophobicContact CD1-CD1 4.19Å; I277-L389 HydrophobicContact CD1-CD1 4.12Å; I277-L389 HydrophobicContact CG2-CD1 3.65Å
278S88.1Confident90.1Very high8 Ų847.8 Ų47.86%0.05626%0.26CS..Hα-helixtrans-60.4-49.8177.5-159.50000111Y166 D199 N275 N280 V282Y166-S278 VanDerWaalsContact CE1-CB 3.43Å; D199-S278 PolarHBondContact O-OG 3.47Å; N275-S278 PolarHBondContact O-N 3.26Å; S278-N280 VanDerWaalsContact C-N 3.33Å; S278-N280 PolarHBondContact O-N 3.01Å; S278-V282 WeakPolarHBondContact O-CB 3.44Å; S278-V282 WeakPolarHBondContact O-CG2 3.43Å; S278-V282 PolarHBondContact O-N 3.36Å
279M89.3Confident90.6Very high118 Ų11847 Ų4758%0.58125%0.252SS*.Hα-helixtrans-60.6-37-177.9-67.5175.2-168.200113.8Y166 N275Y166-M279 HydrophobicContact CE2-CE 4Å; Y166-M279 WeakPolarHBondContact OH-CE 3.41Å; Y166-M279 WeakPolarHBondContact OH-CG 3.42Å; N275-M279 HydrophobicContact CB-CE 4.21Å; N275-M279 VanDerWaalsContact O-CG 3.3Å; N275-M279 WeakPolarHBondContact O-CG 3.49Å; N275-M279 PolarHBondContact O-N 3.32Å
280N92Very high91.1Very high79 Ų7942.8 Ų42.842%0.42223%0.226SC..Hα-helixtrans-92.5-27.2-175.7-66.9-55.3000113.4E276 I277 S278E276-N280 VanDerWaalsContact O-CB 3.24Å; E276-N280 WeakPolarHBondContact O-CB 3.5Å; E276-N280 VanDerWaalsContact O-CG 3.3Å; E276-N280 PolarHBondContact O-N 3.29Å; E276-N280 PolarHBondContact O-ND2 3.03Å; I277-N280 PolarHBondContact O-N 3.26Å; S278-N280 VanDerWaalsContact C-N 3.33Å; S278-N280 PolarHBondContact O-N 3.01Å
281L92.8Very high91.5Very high1 Ų138.7 Ų38.71%0.00521%0.206CC..Hα-helixtrans-99.6-14.9-174.8-7967.4000113.4I277 P283 L290 A335 A337 K371 L389 N391I277-L281 HydrophobicContact CG2-CD2 4.23Å; I277-L281 VanDerWaalsContact O-CB 3.26Å; I277-L281 WeakPolarHBondContact O-CB 3.32Å; I277-L281 WeakPolarHBondContact O-CD1 3.34Å; I277-L281 PolarHBondContact O-N 3.45Å; L281-P283 WeakPolarHBondContact O-CD 3.41Å; L281-L290 HydrophobicContact CB-CD1 4.09Å; L281-L290 HydrophobicContact CB-CD2 3.81Å; L281-L290 HydrophobicContact CD2-CD1 3.85Å; L281-L290 HydrophobicContact CD2-CD2 4.18Å; L281-A335 HydrophobicContact CB-CB 4.24Å; L281-A335 HydrophobicContact CG-CB 4.12Å; L281-A337 HydrophobicContact CD1-CB 3.9Å; L281-A337 HydrophobicContact CD2-CB 3.74Å; L281-A337 HydrophobicContact CG-CB 4.43Å; L281-K371 HydrophobicContact CD1-CB 4.18Å; L281-L389 HydrophobicContact CD2-CB 3.81Å; L281-N391 VanDerWaalsContact O-CB 3.29Å; L281-N391 WeakPolarHBondContact O-CB 3.33Å; L281-N391 PolarHBondContact O-ND2 3.24Å
282V92Very high92.1Very high25 Ų2534 Ų3415%0.15218%0.181CC..  trans-110.588.3-177.9-175.70000109.6S278 F284 H288 L290S278-V282 WeakPolarHBondContact O-CB 3.44Å; S278-V282 WeakPolarHBondContact O-CG2 3.43Å; S278-V282 PolarHBondContact O-N 3.36Å; V282-F284 VanDerWaalsContact C-N 3.3Å; V282-F284 WeakPolarHBondContact CG1-O 3.3Å; V282-F284 PolarHBondContact O-N 3.18Å; V282-H288 HydrophobicContact CB-CB 4.33Å; V282-H288 HydrophobicContact CG1-CB 3.53Å; V282-H288 HydrophobicContact CG2-CB 3.8Å; V282-L290 HydrophobicContact CG2-CD2 4.46Å
283P89.2Confident92.5Very high50 Ų5033.6 Ų33.633%0.32518%0.179SC..SBendtrans-73.3-21.4179.227.7-33.8000113.4L281 L334 W365L281-P283 WeakPolarHBondContact O-CD 3.41Å; P283-L334 HydrophobicContact CG-CB 4.29Å; P283-L334 HydrophobicContact CG-CD1 4.27Å; P283-W365 HydrophobicContact CB-CH2 3.82Å; P283-W365 HydrophobicContact CB-CZ3 4.26Å; P283-W365 HydrophobicContact CG-CH2 3.92Å
284F92.3Very high92.8Very high76 Ų7631.3 Ų31.333%0.33317%0.167SC..SBendtrans-135139.2-178.2-55.1-77.8000110.1V282 H286 L287 W365 F447V282-F284 VanDerWaalsContact C-N 3.3Å; V282-F284 WeakPolarHBondContact CG1-O 3.3Å; V282-F284 PolarHBondContact O-N 3.18Å; F284-H286 PolarHBondContact O-N 2.77Å; F284-L287 HydrophobicContact CB-CB 4.17Å; F284-L287 HydrophobicContact CB-CD1 4.28Å; F284-L287 HydrophobicContact CB-CG 4.03Å; F284-L287 HydrophobicContact CD2-CD1 3.86Å; F284-L287 HydrophobicContact CD2-CG 4.48Å; F284-L287 HydrophobicContact CG-CD1 4.38Å; F284-L287 PolarHBondContact O-N 2.77Å; F284-W365 HydrophobicContact CE2-CH2 4.38Å; F284-W365 HydrophobicContact CE2-CZ2 4.21Å; F284-F447 HydrophobicContact CD2-CE2 4.07Å; F284-F447 AromaticContact CD2-CZ 3.89Å; F284-F447 HydrophobicContact CD2-CZ 3.89Å; F284-F447 HydrophobicContact CE1-CZ 4.2Å; F284-F447 AromaticContact CE2-CE1 3.75Å; F284-F447 HydrophobicContact CE2-CE1 3.75Å; F284-F447 AromaticContact CE2-CE2 3.84Å; F284-F447 HydrophobicContact CE2-CE2 3.84Å; F284-F447 AromaticContact CE2-CZ 3.22Å; F284-F447 HydrophobicContact CE2-CZ 3.22Å; F284-F447 AromaticContact CZ-CE1 3.91Å; F284-F447 HydrophobicContact CZ-CE1 3.91Å; F284-F447 HydrophobicContact CZ-CE2 4.36Å; F284-F447 AromaticContact CZ-CZ 3.41Å; F284-F447 HydrophobicContact CZ-CZ 3.41Å; F284-F447 VanDerWaalsContact CZ-CZ 3.41Å
285P89.4Confident92.9Very high105 Ų10531.1 Ų31.168%0.68217%0.166SC*.THydrogen-bonded Turntrans-51.6-45.6-170-30.135.4000115.2H288P285-H288 PolarHBondContact O-ND1 2.83Å
286H93.2Very high92.9Very high85 Ų8530.3 Ų30.339%0.39416%0.162SC..THydrogen-bonded Turntrans-87.2-12.5-177.6-55.4163.7000113.7T195 F284 H288 L440T195-H286 HydrophobicContact CG2-CB 3.85Å; F284-H286 PolarHBondContact O-N 2.77Å; H286-H288 PolarHBondContact O-N 3.29Å; H286-L440 HydrophobicContact CB-CD1 4.45Å; H286-L440 WeakPolarHBondContact O-CD1 3.47Å
287L94.8Very high92.5Very high0 Ų027.5 Ų27.50%015%0.149CC..  trans-92.350.5-179.5-55.1-166.1000110.5F284 L334 N391 L440 Q443 Y444 F447F284-L287 HydrophobicContact CB-CB 4.17Å; F284-L287 HydrophobicContact CB-CD1 4.28Å; F284-L287 HydrophobicContact CB-CG 4.03Å; F284-L287 HydrophobicContact CD2-CD1 3.86Å; F284-L287 HydrophobicContact CD2-CG 4.48Å; F284-L287 HydrophobicContact CG-CD1 4.38Å; F284-L287 PolarHBondContact O-N 2.77Å; L287-L334 HydrophobicContact CD1-CD1 4.16Å; L287-N391 PolarHBondContact O-ND2 3.28Å; L287-L440 HydrophobicContact CD2-CD1 3.41Å; L287-L440 VanDerWaalsContact CD2-CD1 3.41Å; L287-Q443 HydrophobicContact CD2-CB 4.09Å; L287-Y444 WeakPolarHBondContact CA-OH 3.35Å; L287-Y444 HydrophobicContact CB-CE1 4.14Å; L287-Y444 HydrophobicContact CD1-CE1 4.37Å; L287-Y444 HydrophobicContact CD2-CD1 4.45Å; L287-Y444 HydrophobicContact CD2-CD2 4.02Å; L287-Y444 HydrophobicContact CD2-CE1 4.18Å; L287-Y444 HydrophobicContact CD2-CE2 3.71Å; L287-Y444 HydrophobicContact CD2-CG 4.38Å; L287-Y444 HydrophobicContact CG-CE1 4.47Å; L287-F447 HydrophobicContact CD1-CD2 3.72Å; L287-F447 HydrophobicContact CD1-CE2 3.55Å
288H96.3Very high91.5Very high3 Ų328 Ų281%0.01415%0.152CC..  trans-104.819-170.758.5-156.3000114.6T195 A198 D199 V201 V282 P285 H286 L290T195-H288 PolarHBondContact O-CE1 2.97Å; A198-H288 PolarHBondContact O-CE1 2.88Å; A198-H288 PolarHBondContact O-ND1 2.88Å; D199-H288 WeakPolarHBondContact O-CB 3.3Å; V201-H288 PolarHBondContact N-O 2.9Å; V282-H288 HydrophobicContact CB-CB 4.33Å; V282-H288 HydrophobicContact CG1-CB 3.53Å; V282-H288 HydrophobicContact CG2-CB 3.8Å; P285-H288 PolarHBondContact O-ND1 2.83Å; H286-H288 PolarHBondContact O-N 3.29Å; H288-L290 PolarHBondContact O-N 3.08Å
289Y97.8Very high90.5Very high0 Ų028 Ų280%015%0.152CC..BIsolated β-bridgetrans-88.8107.5-180-66.8-91.2000111L191 T194 T195 V201 P203 F399 L440L191-Y289 HydrophobicContact CD2-CE1 3.94Å; T194-Y289 HydrophobicContact CG2-CE1 4.46Å; T195-Y289 PolarHBondContact OG1-OH 3.25Å; V201-Y289 HydrophobicContact CB-CD1 3.67Å; V201-Y289 HydrophobicContact CB-CE1 3.85Å; V201-Y289 HydrophobicContact CB-CG 4.34Å; V201-Y289 HydrophobicContact CG1-CD1 3.7Å; V201-Y289 HydrophobicContact CG1-CE1 3.69Å; V201-Y289 HydrophobicContact CG2-CD1 4.25Å; V201-Y289 HydrophobicContact CG2-CE1 4Å; V201-Y289 CarbonylContact O-C 3.32Å; V201-Y289 WeakPolarHBondContact O-CA 3.38Å; P203-Y289 HydrophobicContact CG-CD1 4.49Å; Y289-F399 HydrophobicContact CD1-CE1 4.36Å; Y289-F399 AromaticContact CD1-CZ 3.67Å; Y289-F399 HydrophobicContact CD1-CZ 3.67Å; Y289-F399 HydrophobicContact CD2-CE2 4.17Å; Y289-F399 AromaticContact CD2-CZ 3.86Å; Y289-F399 HydrophobicContact CD2-CZ 3.86Å; Y289-F399 HydrophobicContact CE1-CE1 4.29Å; Y289-F399 AromaticContact CE1-CZ 3.78Å; Y289-F399 HydrophobicContact CE1-CZ 3.78Å; Y289-F399 HydrophobicContact CE2-CE2 4.39Å; Y289-F399 HydrophobicContact CE2-CZ 4Å; Y289-F399 HydrophobicContact CG-CE2 4.33Å; Y289-F399 AromaticContact CG-CZ 3.69Å; Y289-F399 HydrophobicContact CG-CZ 3.69Å; Y289-F399 AromaticContact CZ-CZ 3.95Å; Y289-L440 HydrophobicContact CD2-CD2 4.11Å; Y289-L440 HydrophobicContact CE2-CD2 3.53Å
290L97.3Very high89.1Confident0 Ų026.1 Ų26.10%014%0.144CC..EExtended strand (participates in β ladder)trans-100.1107.6-176.4-55.2-169.7000111.2C200 V201 P203 I277 L281 V282 H288 A292 N391C200-L290 WeakPolarHBondContact SG-CD1 3.4Å; V201-L290 PolarHBondContact O-N 3.43Å; P203-L290 WeakPolarHBondContact CD-O 3.41Å; I277-L290 HydrophobicContact CG2-CD1 3.74Å; L281-L290 HydrophobicContact CB-CD1 4.09Å; L281-L290 HydrophobicContact CB-CD2 3.81Å; L281-L290 HydrophobicContact CD2-CD1 3.85Å; L281-L290 HydrophobicContact CD2-CD2 4.18Å; V282-L290 HydrophobicContact CG2-CD2 4.46Å; H288-L290 PolarHBondContact O-N 3.08Å; L290-A292 PolarHBondContact O-N 3.05Å; L290-N391 HydrophobicContact CD2-CB 3.66Å
291I97.4Very high87.4Confident0 Ų026 Ų260%015%0.149CC..EExtended strand (participates in β ladder)trans-69.4115176.4-56.8177.9000108.9M324 P328 A390 N392 S394 I395I291-M324 HydrophobicContact CG2-CB 4.1Å; I291-M324 HydrophobicContact CG2-CG 4.37Å; I291-P328 HydrophobicContact CD1-CG 4.24Å; I291-P328 HydrophobicContact CG2-CG 4.16Å; I291-A390 PolarHBondContact N-O 3.38Å; I291-A390 PolarHBondContact O-N 3.44Å; I291-N392 HydrophobicContact CD1-CB 4.25Å; I291-S394 VanDerWaalsContact CD1-OG 3.3Å; I291-S394 WeakPolarHBondContact CD1-OG 3.32Å; I291-I395 HydrophobicContact CD1-CB 4.2Å; I291-I395 HydrophobicContact CD1-CD1 4.46Å; I291-I395 HydrophobicContact CG1-CD1 4.27Å
292A97.4Very high85.9Confident0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-87.4142.7177.600000111.6M256 L290 L323 L387 A388 L389M256-A292 HydrophobicContact CG-CB 4.25Å; M256-A292 HydrophobicContact SD-CB 4.34Å; L290-A292 PolarHBondContact O-N 3.05Å; A292-L323 HydrophobicContact CB-CB 4.5Å; A292-L323 HydrophobicContact CB-CD1 3.94Å; A292-L323 HydrophobicContact CB-CG 4.38Å; A292-L323 WeakPolarHBondContact O-CB 3.28Å; A292-L323 WeakPolarHBondContact O-CG 3.17Å; A292-L323 PolarHBondContact O-N 2.82Å; A292-L387 HydrophobicContact CB-CD1 4.34Å; A292-A388 CarbonylContact C-O 3.21Å; A292-A388 WeakPolarHBondContact CA-O 3.43Å; A292-L389 HydrophobicContact CB-CD2 3.87Å
293S95.9Very high84.4Confident2 Ų231.8 Ų31.81%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-143.9145.3171.754.40000110.3T316 Y321 L387 A388S293-T316 WeakPolarHBondContact CB-O 3.16Å; S293-T316 VanDerWaalsContact OG-CG2 3.25Å; S293-T316 WeakPolarHBondContact OG-CG2 3.44Å; S293-T316 PolarHBondContact OG-O 2.95Å; S293-Y321 WeakPolarHBondContact CA-O 3.22Å; S293-Y321 WeakPolarHBondContact CB-O 3.5Å; S293-L387 CarbonylContact O-C 3.59Å; S293-L387 WeakPolarHBondContact O-CA 3.24Å; S293-L387 WeakPolarHBondContact O-CD1 3.36Å; S293-A388 PolarHBondContact N-O 3.3Å; S293-A388 PolarHBondContact O-N 3.37Å; S293-A388 PolarHBondContact OG-O 3.45Å
294Q93.8Very high83.2Confident4 Ų430 Ų302%0.01916%0.161CC..EExtended strand (participates in β ladder)trans-144.9145.7-178.763.6-178.2-12.600112.5I252 N259 F297 Y321 L386 L387I252-Q294 VanDerWaalsContact CG2-NE2 3.26Å; I252-Q294 PolarHBondContact O-NE2 3.47Å; N259-Q294 PolarHBondContact ND2-OE1 3.13Å; Q294-F297 HydrophobicContact CG-CD1 3.7Å; Q294-F297 HydrophobicContact CG-CE1 3.28Å; Q294-F297 HydrophobicContact CG-CZ 4.18Å; Q294-F297 WeakPolarHBondContact O-CZ 3.35Å; Q294-Y321 PolarHBondContact N-O 3.45Å; Q294-Y321 WeakPolarHBondContact O-CD1 3.42Å; Q294-L386 VanDerWaalsContact CA-O 3.26Å; Q294-L386 WeakPolarHBondContact CA-O 3.22Å; Q294-L387 HydrophobicContact CB-CD1 4.3Å
295S91.7Very high81.6Confident0 Ų029 Ų290%017%0.167CC..EExtended strand (participates in β ladder)trans-146140.4175.5-1760000110V312 T316 C385 L386S295-V312 VanDerWaalsContact O-CG1 3.24Å; S295-V312 WeakPolarHBondContact O-CG1 3.39Å; S295-T316 VanDerWaalsContact CB-OG1 3.25Å; S295-T316 WeakPolarHBondContact CB-OG1 3.25Å; S295-C385 WeakPolarHBondContact O-CA 3.34Å; S295-C385 PolarHBondContact O-SG 3.08Å; S295-L386 PolarHBondContact N-O 3.31Å; S295-L386 PolarHBondContact O-N 3.41Å
296P89.2Confident80.2Confident13 Ų1330.6 Ų30.68%0.08418%0.177CC..SBendcis-72.9166-10.832.3-36.2000112.8H382 Y384P296-H382 HydrophobicContact CG-CB 4.37Å; P296-H382 WeakPolarHBondContact CG-CD2 3.4Å; P296-Y384 WeakPolarHBondContact CD-O 3.46Å
297F82.1Confident79.1Confident5 Ų529.5 Ų29.52%0.02217%0.169CC..PPolyproline II helixtrans-90.9139.3167.5-65.5-66.6000111.6I212 I252 Q294 Y321 L323I212-F297 HydrophobicContact CB-CE2 4.34Å; I212-F297 HydrophobicContact CD1-CE1 4.05Å; I212-F297 HydrophobicContact CD1-CE2 3.93Å; I212-F297 HydrophobicContact CD1-CZ 3.46Å; I212-F297 VanDerWaalsContact CD1-CZ 3.46Å; I212-F297 HydrophobicContact CG1-CE2 3.89Å; I212-F297 HydrophobicContact CG1-CZ 3.97Å; I212-F297 HydrophobicContact CG2-CB 4.48Å; I212-F297 HydrophobicContact CG2-CD1 4.21Å; I212-F297 HydrophobicContact CG2-CD2 3.42Å; I212-F297 VanDerWaalsContact CG2-CD2 3.42Å; I212-F297 HydrophobicContact CG2-CE1 4.25Å; I212-F297 HydrophobicContact CG2-CE2 3.47Å; I212-F297 VanDerWaalsContact CG2-CE2 3.47Å; I212-F297 HydrophobicContact CG2-CG 3.81Å; I212-F297 HydrophobicContact CG2-CZ 3.92Å; I252-F297 HydrophobicContact CG1-CD1 4.42Å; I252-F297 HydrophobicContact CG2-CD1 3.93Å; I252-F297 HydrophobicContact CG2-CE1 3.81Å; Q294-F297 HydrophobicContact CG-CD1 3.7Å; Q294-F297 HydrophobicContact CG-CE1 3.28Å; Q294-F297 HydrophobicContact CG-CZ 4.18Å; Q294-F297 WeakPolarHBondContact O-CZ 3.35Å; F297-Y321 AromaticContact CD2-CD1 3.62Å; F297-Y321 HydrophobicContact CD2-CD1 3.62Å; F297-Y321 AromaticContact CD2-CE1 3.83Å; F297-Y321 HydrophobicContact CD2-CE1 3.83Å; F297-Y321 AromaticContact CE2-CD1 3.25Å; F297-Y321 HydrophobicContact CE2-CD1 3.25Å; F297-Y321 AromaticContact CE2-CE1 3.88Å; F297-Y321 HydrophobicContact CE2-CE1 3.88Å; F297-Y321 AromaticContact CE2-CG 3.83Å; F297-Y321 HydrophobicContact CE2-CG 3.83Å; F297-Y321 HydrophobicContact CZ-CD1 4.07Å; F297-Y321 HydrophobicContact CZ-CG 4.44Å; F297-L323 HydrophobicContact CE1-CD2 3.9Å; F297-L323 HydrophobicContact CZ-CD2 4.25Å
298S70.2Confident78.7Confident14 Ų1437.9 Ų37.910%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-98.9137.515940.40000110.4N251 N255N251-S298 PolarHBondContact ND2-O 3.44Å; N255-S298 PolarHBondContact ND2-OG 3.01Å
299T66.6Low78.4Confident9 Ų939 Ų396%0.05521%0.211CC..EExtended strand (participates in β ladder)trans-107.1160.215956.70000108.2V216 S301 R302V216-T299 HydrophobicContact CB-CG2 4.34Å; V216-T299 HydrophobicContact CG1-CG2 3.86Å; T299-S301 PolarHBondContact O-N 2.87Å; T299-R302 PolarHBondContact N-O 3.49Å; T299-R302 PolarHBondContact O-N 3.05Å; T299-R302 VanDerWaalsContact O-N 3.08Å; T299-R302 VanDerWaalsContact O-O 3.12Å; T299-R302 WeakPolarHBondContact OG1-CB 3.37Å; T299-R302 PolarHBondContact OG1-N 2.7Å; T299-R302 PolarHBondContact OG1-O 3.43Å
300I59.2Low78.1Confident78 Ų7841.3 Ų41.340%0.422%0.224SC..THydrogen-bonded Turntrans-56.2-30.9-172.7-66.1166.2000112.2D247 N251D247-I300 HydrophobicContact CB-CD1 3.58Å; D247-I300 WeakPolarHBondContact O-CD1 3.44Å; N251-I300 HydrophobicContact CB-CD1 4.38Å; N251-I300 HydrophobicContact CB-CG1 3.92Å
301S57.7Low77.7Confident75 Ų7545.7 Ų45.752%0.52425%0.245SC..THydrogen-bonded Turntrans-104.7-11.5-17855.90000114.3T299T299-S301 PolarHBondContact O-N 2.87Å
302R60.5Low77.4Confident85 Ų8545.9 Ų45.932%0.32125%0.246SC..EExtended strand (participates in β ladder)trans-147.6128.9-167.6-52176-170.8175.30.8112.2T299T299-R302 PolarHBondContact N-O 3.49Å; T299-R302 PolarHBondContact O-N 3.05Å; T299-R302 VanDerWaalsContact O-N 3.08Å; T299-R302 VanDerWaalsContact O-O 3.12Å; T299-R302 WeakPolarHBondContact OG1-CB 3.37Å; T299-R302 PolarHBondContact OG1-N 2.7Å; T299-R302 PolarHBondContact OG1-O 3.43Å
303I60.6Low77.2Confident63 Ų6346 Ų4632%0.32325%0.246SC..EExtended strand (participates in β ladder)trans-92.5132.2170.7-55.3160.3000107.2D381I303-D381 HydrophobicContact CD1-CB 3.64Å; I303-D381 HydrophobicContact CG1-CB 3.94Å
304S62.9Low77Confident13 Ų1347.4 Ų47.49%0.09126%0.256CS..PPolyproline II helixtrans-60.7141171.9-171.10000110.2R307S304-R307 PolarHBondContact OG-NH2 3.31Å
305A60.3Low76.9Confident56 Ų5648 Ų4846%0.46326%0.259SS..PPolyproline II helixtrans-49.7144.8-178.600000112.3R307A305-R307 VanDerWaalsContact O-CG 3.23Å; A305-R307 WeakPolarHBondContact O-CG 3.47Å; A305-R307 PolarHBondContact O-N 3.14Å; A305-R307 VanDerWaalsContact O-N 3.17Å
306P58.7Low76.9Confident138 Ų13848 Ų4890%0.89626%0.259SS*.PPolyproline II helixtrans-57.8122.8-176.323.3-33.5000110.8
307R71Confident77Confident62 Ų6247.5 Ų47.523%0.23426%0.256CS..  trans-105149.4-178.9-57-164.1-177.4168.12.8111.3S304 A305 Q311 V312 D315 Y321S304-R307 PolarHBondContact OG-NH2 3.31Å; A305-R307 VanDerWaalsContact O-CG 3.23Å; A305-R307 WeakPolarHBondContact O-CG 3.47Å; A305-R307 PolarHBondContact O-N 3.14Å; A305-R307 VanDerWaalsContact O-N 3.17Å; R307-Q311 HydrophobicContact CB-CB 4.42Å; R307-V312 HydrophobicContact CB-CG2 3.97Å; R307-D315 WeakPolarHBondContact CD-OD2 3.2Å; R307-D315 IonicContact CZ-OD2 2.87Å; R307-D315 IonicContact NE-OD2 3.41Å; R307-D315 IonicContact NH1-OD2 3.48Å; R307-D315 PolarHBondContact NH1-OD2 2.83Å; R307-Y321 VanDerWaalsContact NH1-CE1 3.33Å; R307-Y321 PolarHBondContact NH1-OH 3.09Å; R307-Y321 PolarHBondContact NH2-OH 3.32Å
308K85.7Confident77.3Confident176 Ų17649.3 Ų49.377%0.76527%0.267SS*.  trans-65.3147.5167.2-67.7-178.4179-1800109D310 Q311 V312K308-D310 VanDerWaalsContact C-N 3.34Å; K308-D310 PolarHBondContact O-N 2.93Å; K308-Q311 HydrophobicContact CB-CB 4.44Å; K308-Q311 WeakPolarHBondContact O-CA 3.4Å; K308-Q311 VanDerWaalsContact O-CB 3.3Å; K308-Q311 WeakPolarHBondContact O-CB 3.28Å; K308-Q311 PolarHBondContact O-N 3.49Å; K308-V312 PolarHBondContact O-N 3.44Å; K308-V312 VanDerWaalsContact O-N 3.13Å
309L89.9Confident78.2Confident25 Ų2555.9 Ų55.913%0.13129%0.29CS..Hα-helixtrans-52.6-49.9179.9-177.664.7000112.3Q311 V312 F313 I344 D348L309-Q311 PolarHBondContact O-N 3.33Å; L309-Q311 VanDerWaalsContact O-N 3.15Å; L309-V312 WeakPolarHBondContact O-CB 3.14Å; L309-V312 PolarHBondContact O-N 3.32Å; L309-F313 HydrophobicContact CD1-CD2 4.15Å; L309-F313 HydrophobicContact CD1-CE2 3.75Å; L309-F313 HydrophobicContact CG-CD2 4.25Å; L309-F313 HydrophobicContact CG-CE2 4.08Å; L309-F313 WeakPolarHBondContact O-CD2 3.33Å; L309-F313 PolarHBondContact O-N 2.98Å; L309-I344 HydrophobicContact CD1-CD1 3.48Å; L309-I344 VanDerWaalsContact CD1-CD1 3.48Å; L309-I344 HydrophobicContact CD1-CG1 3.87Å; L309-I344 HydrophobicContact CD2-CG1 4.18Å; L309-I344 HydrophobicContact CD2-CG2 3.65Å; L309-D348 HydrophobicContact CD2-CB 3.71Å
310D90.9Very high79.2Confident50 Ų5059.1 Ų59.127%0.26731%0.307SS..Hα-helixtrans-57.7-31.7178.2-7326.4000112.9K308 S314 R351 N352 K355K308-D310 VanDerWaalsContact C-N 3.34Å; K308-D310 PolarHBondContact O-N 2.93Å; D310-S314 PolarHBondContact O-N 3.43Å; D310-S314 VanDerWaalsContact O-N 3.12Å; D310-R351 IonicContact OD1-CZ 2.66Å; D310-R351 IonicContact OD1-NE 2.7Å; D310-R351 IonicContact OD1-NH2 2.66Å; D310-R351 PolarHBondContact OD1-NH2 3.13Å; D310-R351 IonicContact OD2-NE 2.71Å; D310-R351 IonicContact OD2-NH2 2.65Å; D310-N352 WeakPolarHBondContact CA-OD1 3.49Å; D310-N352 VanDerWaalsContact CG-OD1 3.32Å; D310-N352 PolarHBondContact OD1-ND2 3.39Å; D310-N352 PolarHBondContact OD1-OD1 2.9Å; D310-K355 IonicContact OD2-NZ 3.91Å; D310-K355 PolarHBondContact OD2-NZ 3.3Å
311Q90.1Very high80.8Confident92 Ų9256.1 Ų56.143%0.4329%0.291SS..Hα-helixtrans-72.3-38.8176.6-169.763.14800111.2R307 K308 L309 F313 S314 D315R307-Q311 HydrophobicContact CB-CB 4.42Å; K308-Q311 HydrophobicContact CB-CB 4.44Å; K308-Q311 WeakPolarHBondContact O-CA 3.4Å; K308-Q311 VanDerWaalsContact O-CB 3.3Å; K308-Q311 WeakPolarHBondContact O-CB 3.28Å; K308-Q311 PolarHBondContact O-N 3.49Å; L309-Q311 PolarHBondContact O-N 3.33Å; L309-Q311 VanDerWaalsContact O-N 3.15Å; Q311-F313 VanDerWaalsContact C-N 3.34Å; Q311-F313 PolarHBondContact O-N 2.98Å; Q311-S314 PolarHBondContact O-N 3.06Å; Q311-D315 WeakPolarHBondContact CG-OD2 3.2Å; Q311-D315 PolarHBondContact NE2-OD1 3.02Å; Q311-D315 VanDerWaalsContact O-CB 3.27Å; Q311-D315 WeakPolarHBondContact O-CB 3.42Å; Q311-D315 PolarHBondContact O-N 3.48Å
312V92Very high82.6Confident4 Ų452.7 Ų52.72%0.02427%0.266CS..Hα-helixtrans-56.8-48.9174.71740000110.4S295 R307 K308 L309 S314 D315 T316 L386S295-V312 VanDerWaalsContact O-CG1 3.24Å; S295-V312 WeakPolarHBondContact O-CG1 3.39Å; R307-V312 HydrophobicContact CB-CG2 3.97Å; K308-V312 PolarHBondContact O-N 3.44Å; K308-V312 VanDerWaalsContact O-N 3.13Å; L309-V312 WeakPolarHBondContact O-CB 3.14Å; L309-V312 PolarHBondContact O-N 3.32Å; V312-S314 PolarHBondContact O-N 3.34Å; V312-D315 PolarHBondContact O-N 2.98Å; V312-T316 PolarHBondContact O-N 3.16Å; V312-T316 VanDerWaalsContact O-N 3.15Å; V312-T316 PolarHBondContact O-OG1 3.23Å; V312-L386 HydrophobicContact CG1-CB 3.86Å
313F93Very high84.3Confident2 Ų248.6 Ų48.61%0.00925%0.251CS..Hα-helixtrans-60.9-45.5177.1-82.9-100.1000112.6L309 Q311 F317 L338 V340 L349 N352 L356 L386L309-F313 HydrophobicContact CD1-CD2 4.15Å; L309-F313 HydrophobicContact CD1-CE2 3.75Å; L309-F313 HydrophobicContact CG-CD2 4.25Å; L309-F313 HydrophobicContact CG-CE2 4.08Å; L309-F313 WeakPolarHBondContact O-CD2 3.33Å; L309-F313 PolarHBondContact O-N 2.98Å; Q311-F313 VanDerWaalsContact C-N 3.34Å; Q311-F313 PolarHBondContact O-N 2.98Å; F313-F317 WeakPolarHBondContact O-CD2 3.42Å; F313-L338 HydrophobicContact CE1-CD1 4.37Å; F313-V340 HydrophobicContact CE1-CG2 4.35Å; F313-V340 HydrophobicContact CZ-CG2 3.79Å; F313-L349 HydrophobicContact CE1-CD1 3.98Å; F313-L349 HydrophobicContact CZ-CD1 3.57Å; F313-N352 HydrophobicContact CB-CB 4.1Å; F313-N352 HydrophobicContact CD1-CB 3.62Å; F313-N352 HydrophobicContact CD2-CB 3.94Å; F313-N352 HydrophobicContact CE1-CB 3.97Å; F313-N352 HydrophobicContact CE2-CB 4.28Å; F313-N352 HydrophobicContact CG-CB 3.61Å; F313-N352 HydrophobicContact CZ-CB 4.29Å; F313-L356 HydrophobicContact CB-CD1 4.39Å; F313-L356 HydrophobicContact CD1-CD1 3.78Å; F313-L386 HydrophobicContact CB-CD2 4.39Å; F313-L386 HydrophobicContact CD1-CD2 3.69Å; F313-L386 HydrophobicContact CD2-CD2 4.35Å; F313-L386 HydrophobicContact CE1-CD2 3.97Å; F313-L386 HydrophobicContact CG-CD2 3.9Å; F313-L386 HydrophobicContact CZ-CD2 4.4Å
314S91.1Very high85.9Confident31 Ų3145.8 Ų45.822%0.21724%0.236CC..Hα-helixtrans-67.2-38.5179.5-1740000112.5D310 Q311 V312 T318 R359D310-S314 PolarHBondContact O-N 3.43Å; D310-S314 VanDerWaalsContact O-N 3.12Å; Q311-S314 PolarHBondContact O-N 3.06Å; V312-S314 PolarHBondContact O-N 3.34Å; S314-T318 WeakPolarHBondContact O-CG2 3.38Å; S314-R359 PolarHBondContact OG-NH1 3.05Å
315D90.9Very high87.3Confident17 Ų1746.4 Ų46.49%0.09124%0.241CC..Hα-helixtrans-66.7-41.6-177-73.7-25.3000111.8R307 Q311 V312 F317 T318 Y321R307-D315 WeakPolarHBondContact CD-OD2 3.2Å; R307-D315 IonicContact CZ-OD2 2.87Å; R307-D315 IonicContact NE-OD2 3.41Å; R307-D315 IonicContact NH1-OD2 3.48Å; R307-D315 PolarHBondContact NH1-OD2 2.83Å; Q311-D315 WeakPolarHBondContact CG-OD2 3.2Å; Q311-D315 PolarHBondContact NE2-OD1 3.02Å; Q311-D315 VanDerWaalsContact O-CB 3.27Å; Q311-D315 WeakPolarHBondContact O-CB 3.42Å; Q311-D315 PolarHBondContact O-N 3.48Å; V312-D315 PolarHBondContact O-N 2.98Å; D315-F317 PolarHBondContact O-N 3.13Å; D315-F317 VanDerWaalsContact O-N 3.09Å; D315-T318 WeakPolarHBondContact O-CB 3.43Å; D315-T318 PolarHBondContact O-N 3.12Å; D315-T318 PolarHBondContact O-OG1 2.73Å; D315-Y321 HydrophobicContact CB-CD1 4.5Å; D315-Y321 HydrophobicContact CB-CD2 3.94Å; D315-Y321 HydrophobicContact CB-CE1 4.37Å; D315-Y321 HydrophobicContact CB-CE2 3.76Å; D315-Y321 HydrophobicContact CB-CG 4.34Å; D315-Y321 WeakPolarHBondContact O-CD2 3.15Å
316T92.3Very high88.8Confident0 Ų043.8 Ų43.80%022%0.219CC..Hα-helixtrans-53.1-34.2-178.5-63.50000112.7S293 S295 V312 Q322 L386 A388S293-T316 WeakPolarHBondContact CB-O 3.16Å; S293-T316 VanDerWaalsContact OG-CG2 3.25Å; S293-T316 WeakPolarHBondContact OG-CG2 3.44Å; S293-T316 PolarHBondContact OG-O 2.95Å; S295-T316 VanDerWaalsContact CB-OG1 3.25Å; S295-T316 WeakPolarHBondContact CB-OG1 3.25Å; V312-T316 PolarHBondContact O-N 3.16Å; V312-T316 VanDerWaalsContact O-N 3.15Å; V312-T316 PolarHBondContact O-OG1 3.23Å; T316-Q322 PolarHBondContact O-NE2 3.03Å; T316-L386 HydrophobicContact CG2-CD2 4.12Å; T316-L386 HydrophobicContact CG2-CG 4.22Å; T316-A388 HydrophobicContact CG2-CB 3.45Å; T316-A388 VanDerWaalsContact CG2-CB 3.45Å
317F90.7Very high90.4Very high3 Ų338.7 Ų38.71%0.01318%0.184CC..THydrogen-bonded Turntrans-89-3.3-179.5-72.6-90.4000114.1F313 D315 C329 Y333 L338 L356 L360 W370 A388F313-F317 WeakPolarHBondContact O-CD2 3.42Å; D315-F317 PolarHBondContact O-N 3.13Å; D315-F317 VanDerWaalsContact O-N 3.09Å; F317-C329 PolarHBondContact O-SG 3.35Å; F317-Y333 HydrophobicContact CD1-CE1 4.38Å; F317-Y333 HydrophobicContact CE1-CE1 4.16Å; F317-L338 HydrophobicContact CE2-CD2 3.76Å; F317-L338 HydrophobicContact CZ-CD2 3.63Å; F317-L356 HydrophobicContact CD2-CD1 3.9Å; F317-L356 HydrophobicContact CD2-CD2 3.64Å; F317-L356 HydrophobicContact CD2-CG 4.42Å; F317-L356 HydrophobicContact CE2-CD1 3.5Å; F317-L356 VanDerWaalsContact CE2-CD1 3.5Å; F317-L356 HydrophobicContact CE2-CD2 4.11Å; F317-L356 HydrophobicContact CE2-CG 4.42Å; F317-L356 HydrophobicContact CG-CD2 4.17Å; F317-L356 HydrophobicContact CZ-CD1 4.28Å; F317-L360 HydrophobicContact CD1-CD1 3.6Å; F317-L360 HydrophobicContact CD1-CD2 4Å; F317-L360 HydrophobicContact CD1-CG 4.47Å; F317-L360 HydrophobicContact CE1-CD1 3.64Å; F317-L360 HydrophobicContact CG-CD1 4.22Å; F317-L360 HydrophobicContact CZ-CD1 4.3Å; F317-W370 HydrophobicContact CE1-CH2 4Å; F317-W370 HydrophobicContact CE1-CZ3 4.14Å; F317-W370 AromaticContact CZ-CH2 3.89Å; F317-W370 HydrophobicContact CZ-CH2 3.89Å; F317-W370 AromaticContact CZ-CZ3 3.73Å; F317-W370 HydrophobicContact CZ-CZ3 3.73Å; F317-A388 HydrophobicContact CE2-CB 4.09Å; F317-A388 HydrophobicContact CZ-CB 3.77Å
318T89.7Confident91.4Very high43 Ų4335.7 Ų35.726%0.26417%0.173SC..SBendtrans-82.3156.5174.568.50000111.4S314 D315 D320 Y321 Q322S314-T318 WeakPolarHBondContact O-CG2 3.38Å; D315-T318 WeakPolarHBondContact O-CB 3.43Å; D315-T318 PolarHBondContact O-N 3.12Å; D315-T318 PolarHBondContact O-OG1 2.73Å; T318-D320 PolarHBondContact O-N 2.81Å; T318-D320 VanDerWaalsContact O-N 3.15Å; T318-Y321 PolarHBondContact O-N 2.89Å; T318-Y321 VanDerWaalsContact OG1-CD2 3.24Å; T318-Y321 WeakPolarHBondContact OG1-CD2 3.1Å; T318-Q322 PolarHBondContact O-NE2 3.49Å; T318-Q322 VanDerWaalsContact O-NE2 3.1Å
319R89Confident91.6Very high152 Ų15229.6 Ų29.657%0.57415%0.152SC*.G310 helixtrans-53-35.8-179.9-174.9-178.8-178.6-170.31113.2Y321 Q322R319-Y321 PolarHBondContact O-N 3.39Å; R319-Q322 PolarHBondContact O-N 3.28Å
320D87.9Confident91.6Very high76 Ų7637.8 Ų37.841%0.40618%0.181SC..G310 helixtrans-75.4-3.7-172.9-57.7-34.6000114.1K215 T318K215-D320 HydrophobicContact CD-CB 3.99Å; K215-D320 IonicContact NZ-OD2 3.65Å; K215-D320 PolarHBondContact NZ-OD2 2.53Å; T318-D320 PolarHBondContact O-N 2.81Å; T318-D320 VanDerWaalsContact O-N 3.15Å
321Y92.3Very high91.8Very high15 Ų1536.1 Ų36.16%0.05917%0.172CC..G310 helixtrans-118.95.5177-61.3-97.7000113S293 Q294 F297 R307 D315 T318 R319S293-Y321 WeakPolarHBondContact CA-O 3.22Å; S293-Y321 WeakPolarHBondContact CB-O 3.5Å; Q294-Y321 PolarHBondContact N-O 3.45Å; Q294-Y321 WeakPolarHBondContact O-CD1 3.42Å; F297-Y321 AromaticContact CD2-CD1 3.62Å; F297-Y321 HydrophobicContact CD2-CD1 3.62Å; F297-Y321 AromaticContact CD2-CE1 3.83Å; F297-Y321 HydrophobicContact CD2-CE1 3.83Å; F297-Y321 AromaticContact CE2-CD1 3.25Å; F297-Y321 HydrophobicContact CE2-CD1 3.25Å; F297-Y321 AromaticContact CE2-CE1 3.88Å; F297-Y321 HydrophobicContact CE2-CE1 3.88Å; F297-Y321 AromaticContact CE2-CG 3.83Å; F297-Y321 HydrophobicContact CE2-CG 3.83Å; F297-Y321 HydrophobicContact CZ-CD1 4.07Å; F297-Y321 HydrophobicContact CZ-CG 4.44Å; R307-Y321 VanDerWaalsContact NH1-CE1 3.33Å; R307-Y321 PolarHBondContact NH1-OH 3.09Å; R307-Y321 PolarHBondContact NH2-OH 3.32Å; D315-Y321 HydrophobicContact CB-CD1 4.5Å; D315-Y321 HydrophobicContact CB-CD2 3.94Å; D315-Y321 HydrophobicContact CB-CE1 4.37Å; D315-Y321 HydrophobicContact CB-CE2 3.76Å; D315-Y321 HydrophobicContact CB-CG 4.34Å; D315-Y321 WeakPolarHBondContact O-CD2 3.15Å; T318-Y321 PolarHBondContact O-N 2.89Å; T318-Y321 VanDerWaalsContact OG1-CD2 3.24Å; T318-Y321 WeakPolarHBondContact OG1-CD2 3.1Å; R319-Y321 PolarHBondContact O-N 3.39Å
322Q95Very high92Very high3 Ų331.8 Ų31.81%0.01415%0.151CC..BIsolated β-bridgetrans-79.2136174.1-55.2-54.4-48.200110I212 T316 T318 R319 M324 P328I212-Q322 WeakPolarHBondContact CD1-O 3.34Å; T316-Q322 PolarHBondContact O-NE2 3.03Å; T318-Q322 PolarHBondContact O-NE2 3.49Å; T318-Q322 VanDerWaalsContact O-NE2 3.1Å; R319-Q322 PolarHBondContact O-N 3.28Å; Q322-M324 VanDerWaalsContact CB-O 3.29Å; Q322-M324 WeakPolarHBondContact CB-O 3.39Å; Q322-M324 PolarHBondContact O-N 2.95Å; Q322-P328 HydrophobicContact CG-CG 4.26Å
323L95.9Very high92.1Very high0 Ų031.6 Ų31.60%015%0.15CC..SBendtrans-82-0.6173.1-57.4-171.4000112.6D205 L209 I212 I252 M256 A292 F297D205-L323 PolarHBondContact N-O 3.18Å; L209-L323 HydrophobicContact CD2-CD2 3.91Å; I212-L323 HydrophobicContact CD1-CD2 3.94Å; I252-L323 HydrophobicContact CG2-CD2 3.62Å; M256-L323 HydrophobicContact CB-CD1 3.95Å; M256-L323 HydrophobicContact CE-CD1 3.74Å; M256-L323 HydrophobicContact CG-CD1 3.71Å; M256-L323 HydrophobicContact SD-CD1 4.45Å; A292-L323 HydrophobicContact CB-CB 4.5Å; A292-L323 HydrophobicContact CB-CD1 3.94Å; A292-L323 HydrophobicContact CB-CG 4.38Å; A292-L323 WeakPolarHBondContact O-CB 3.28Å; A292-L323 WeakPolarHBondContact O-CG 3.17Å; A292-L323 PolarHBondContact O-N 2.82Å; F297-L323 HydrophobicContact CE1-CD2 3.9Å; F297-L323 HydrophobicContact CZ-CD2 4.25Å
324M95.1Very high92.2Very high3 Ų331.5 Ų31.52%0.01515%0.15CC..SBendtrans-119.3149.9170.6-74.2-65.1-71.200109.8F173 P203 D205 I291 Q322 T326 I395F173-M324 HydrophobicContact CD2-SD 4.48Å; P203-M324 HydrophobicContact CB-CE 3.99Å; P203-M324 HydrophobicContact CB-CG 4.19Å; P203-M324 HydrophobicContact CB-SD 3.66Å; P203-M324 HydrophobicContact CG-CE 4.43Å; P203-M324 HydrophobicContact CG-CG 4.05Å; P203-M324 HydrophobicContact CG-SD 4.18Å; P203-M324 VanDerWaalsContact O-CG 3.25Å; P203-M324 WeakPolarHBondContact O-CG 3.25Å; D205-M324 HydrophobicContact CB-CE 4.4Å; D205-M324 HydrophobicContact CB-SD 3.66Å; D205-M324 PolarHBondContact N-SD 2.88Å; I291-M324 HydrophobicContact CG2-CB 4.1Å; I291-M324 HydrophobicContact CG2-CG 4.37Å; Q322-M324 VanDerWaalsContact CB-O 3.29Å; Q322-M324 WeakPolarHBondContact CB-O 3.39Å; Q322-M324 PolarHBondContact O-N 2.95Å; M324-T326 HydrophobicContact CB-CG2 4.45Å; M324-T326 PolarHBondContact O-N 2.92Å; M324-I395 HydrophobicContact CE-CD1 3.82Å
325S92.4Very high92.3Very high26 Ų2630.1 Ų30.118%0.18214%0.14CC..SBendtrans-77.140.9179.4-61.90000113.8D205 M207 A208D205-S325 WeakPolarHBondContact OD2-CB 3.18Å; D205-S325 PolarHBondContact OD2-N 2.79Å; D205-S325 PolarHBondContact OD2-OG 3.45Å; M207-S325 WeakPolarHBondContact CE-OG 3.46Å; A208-S325 PolarHBondContact N-OG 3.3Å
326T91Very high92.5Very high1 Ų129.3 Ų29.31%0.00614%0.136CC..SBendtrans-112.1171.4178.563.50000111.1M324 S394 S398M324-T326 HydrophobicContact CB-CG2 4.45Å; M324-T326 PolarHBondContact O-N 2.92Å; T326-S394 WeakPolarHBondContact CG2-O 3.2Å; T326-S394 PolarHBondContact OG1-OG 2.84Å; T326-S398 WeakPolarHBondContact CG2-OG 3.33Å
327N92.3Very high92.7Very high31 Ų3129.3 Ų29.317%0.16614%0.136CC..  trans-12383.1172.5-173.2-1.6000111.3C329 R330 H331N327-C329 PolarHBondContact O-N 2.76Å; N327-R330 WeakPolarHBondContact ND2-CD 3.4Å; N327-R330 PolarHBondContact ND2-NE 3.15Å; N327-R330 PolarHBondContact O-N 3.18Å; N327-H331 PolarHBondContact O-CD2 3.17Å
328P91.6Very high92.9Very high0 Ų029.1 Ų29.10%014%0.135CC..G310 helixtrans-54.7-31.8-174.4-3240.1000114.9I291 Q322 R330 H331 Y333 N392I291-P328 HydrophobicContact CD1-CG 4.24Å; I291-P328 HydrophobicContact CG2-CG 4.16Å; Q322-P328 HydrophobicContact CG-CG 4.26Å; P328-R330 PolarHBondContact O-N 3.24Å; P328-R330 VanDerWaalsContact O-N 3.15Å; P328-H331 PolarHBondContact O-N 3.02Å; P328-Y333 HydrophobicContact CB-CE1 4.22Å; P328-Y333 HydrophobicContact CB-CE2 4.47Å; P328-Y333 WeakPolarHBondContact CB-OH 3.46Å; P328-Y333 VanDerWaalsContact O-CE2 3.29Å; P328-Y333 WeakPolarHBondContact O-CE2 3.44Å; P328-N392 HydrophobicContact CB-CB 4.31Å; P328-N392 PolarHBondContact O-ND2 2.84Å
329C90.1Very high93.2Very high47 Ų4727.2 Ų27.232%0.31812%0.123SC..G310 helixtrans-60.8-21.8178-82.40000114.5F317 N327F317-C329 PolarHBondContact O-SG 3.35Å; N327-C329 PolarHBondContact O-N 2.76Å
330R91.1Very high93.5Very high197 Ų19720 Ų2074%0.74310%0.096SC*.G310 helixtrans-86.8-12.4178.7-71.2-176.4175179.9-2.9113.4N327 P328N327-R330 WeakPolarHBondContact ND2-CD 3.4Å; N327-R330 PolarHBondContact ND2-NE 3.15Å; N327-R330 PolarHBondContact O-N 3.18Å; P328-R330 PolarHBondContact O-N 3.24Å; P328-R330 VanDerWaalsContact O-N 3.15Å
331H94.5Very high93.7Very high16 Ų1616.4 Ų16.47%0.0748%0.077CC..SBendtrans-119.4179.2-171.5-67.2-95.6000110.4N327 P328 N392 T393 S394 H396 E397 E448N327-H331 PolarHBondContact O-CD2 3.17Å; P328-H331 PolarHBondContact O-N 3.02Å; H331-N392 WeakPolarHBondContact CB-OD1 3.45Å; H331-T393 WeakPolarHBondContact CB-OG1 3.29Å; H331-S394 WeakPolarHBondContact CD2-CB 3.49Å; H331-H396 AromaticContact CE1-NE2 3.65Å; H331-H396 AromaticContact ND1-NE2 3.76Å; H331-E397 IonicContact CE1-OE1 2.95Å; H331-E397 IonicContact NE2-OE1 3.93Å; H331-E397 PolarHBondContact NE2-OE1 3.28Å; H331-E397 IonicContact NE2-OE2 2.87Å; H331-E448 IonicContact CE1-OE1 3.34Å; H331-E448 IonicContact CE1-OE2 2.59Å; H331-E448 IonicContact CG-OE1 3.14Å; H331-E448 IonicContact CG-OE2 3.06Å; H331-E448 VanDerWaalsContact ND1-CD 3.27Å; H331-E448 IonicContact ND1-OE1 3.55Å; H331-E448 PolarHBondContact ND1-OE1 3.41Å; H331-E448 IonicContact ND1-OE2 3.45Å; H331-E448 PolarHBondContact ND1-OE2 3.36Å
332V94.3Very high93.7Very high0 Ų015.7 Ų15.70%07%0.074CC..  trans-91.8132.7-175.4178.80000110.5N361 V363 N392 T393 E448 A451V332-N361 CarbonylContact C-O 3.56Å; V332-N361 WeakPolarHBondContact CA-O 3.24Å; V332-V363 HydrophobicContact CG1-CB 4.49Å; V332-V363 HydrophobicContact CG1-CG1 3.54Å; V332-N392 PolarHBondContact O-ND2 2.84Å; V332-T393 HydrophobicContact CB-CG2 4.29Å; V332-T393 PolarHBondContact N-OG1 3.13Å; V332-T393 PolarHBondContact O-N 2.86Å; V332-T393 PolarHBondContact O-OG1 3.48Å; V332-E448 HydrophobicContact CG2-CB 4.44Å; V332-E448 HydrophobicContact CG2-CG 4.05Å; V332-A451 HydrophobicContact CB-CB 4.33Å; V332-A451 HydrophobicContact CG1-CB 3.69Å; V332-A451 HydrophobicContact CG2-CB 3.8Å
333Y94.6Very high93.4Very high1 Ų119.5 Ų19.50%0.00411%0.106CC..EExtended strand (participates in β ladder)trans-87.8125.5172-68.8-102.3000110F317 P328 A336 L360 N361 F362 V363 A390 N392F317-Y333 HydrophobicContact CD1-CE1 4.38Å; F317-Y333 HydrophobicContact CE1-CE1 4.16Å; P328-Y333 HydrophobicContact CB-CE1 4.22Å; P328-Y333 HydrophobicContact CB-CE2 4.47Å; P328-Y333 WeakPolarHBondContact CB-OH 3.46Å; P328-Y333 VanDerWaalsContact O-CE2 3.29Å; P328-Y333 WeakPolarHBondContact O-CE2 3.44Å; Y333-A336 HydrophobicContact CD1-CB 4.45Å; Y333-L360 HydrophobicContact CD2-CB 4.29Å; Y333-L360 HydrophobicContact CE2-CB 4.2Å; Y333-L360 HydrophobicContact CE2-CD2 3.73Å; Y333-L360 HydrophobicContact CE2-CG 4.42Å; Y333-N361 PolarHBondContact N-O 3.04Å; Y333-F362 HydrophobicContact CD1-CZ 4.33Å; Y333-F362 HydrophobicContact CG-CE2 4.24Å; Y333-F362 HydrophobicContact CG-CZ 4.14Å; Y333-F362 WeakPolarHBondContact O-CA 3.33Å; Y333-V363 PolarHBondContact O-N 3.16Å; Y333-A390 HydrophobicContact CD1-CB 3.83Å; Y333-A390 HydrophobicContact CE1-CB 3.59Å; Y333-N392 HydrophobicContact CD1-CB 4.27Å; Y333-N392 WeakPolarHBondContact CD2-ND2 2.94Å; Y333-N392 HydrophobicContact CE1-CB 4.43Å; Y333-N392 WeakPolarHBondContact CE2-ND2 3.39Å
334L93.7Very high93.2Very high0 Ų020.3 Ų20.30%011%0.11CC..EExtended strand (participates in β ladder)trans-78.7-43.9168.7-56.7-172.6000110.2P283 L287 V363 W365 N366 N391 T393 Y444 F447P283-L334 HydrophobicContact CG-CB 4.29Å; P283-L334 HydrophobicContact CG-CD1 4.27Å; L287-L334 HydrophobicContact CD1-CD1 4.16Å; L334-V363 HydrophobicContact CD2-CG1 3.45Å; L334-V363 VanDerWaalsContact CD2-CG1 3.45Å; L334-W365 HydrophobicContact CD2-CZ2 4.42Å; L334-N366 PolarHBondContact O-ND2 3.01Å; L334-N391 HydrophobicContact CB-CB 4.17Å; L334-N391 PolarHBondContact N-O 2.96Å; L334-T393 HydrophobicContact CD2-CG2 4.47Å; L334-Y444 HydrophobicContact CD1-CE1 4.23Å; L334-F447 HydrophobicContact CD2-CB 4.34Å; L334-F447 HydrophobicContact CD2-CG 4.37Å
335A94.6Very high93Very high1 Ų122.4 Ų22.41%0.00813%0.125CC..EExtended strand (participates in β ladder)trans-162.4161.5177.700000109.9L281 G369 N391L281-A335 HydrophobicContact CB-CB 4.24Å; L281-A335 HydrophobicContact CG-CB 4.12Å; A335-G369 CarbonylContact C-O 3.25Å; A335-G369 WeakPolarHBondContact CA-O 3.49Å; A335-N391 PolarHBondContact N-O 3.18Å; A335-N391 PolarHBondContact O-N 3.46Å
336A95.1Very high92.9Very high0 Ų024.9 Ų24.90%015%0.147CC..EExtended strand (participates in β ladder)trans-146.1155.1175.700000112Y333 F362 G369 W370 K371 L389Y333-A336 HydrophobicContact CD1-CB 4.45Å; A336-F362 HydrophobicContact CB-CE1 4.26Å; A336-F362 HydrophobicContact CB-CZ 4Å; A336-G369 PolarHBondContact N-O 2.76Å; A336-G369 VanDerWaalsContact O-O 3.12Å; A336-W370 HydrophobicContact CB-CD2 4.28Å; A336-W370 HydrophobicContact CB-CE3 3.52Å; A336-W370 HydrophobicContact CB-CH2 4.28Å; A336-W370 HydrophobicContact CB-CZ3 3.49Å; A336-W370 VanDerWaalsContact CB-CZ3 3.49Å; A336-W370 CarbonylContact O-C 3.59Å; A336-W370 VanDerWaalsContact O-CA 3.22Å; A336-W370 WeakPolarHBondContact O-CA 3.33Å; A336-K371 PolarHBondContact O-N 2.9Å; A336-L389 CarbonylContact C-O 3.54Å; A336-L389 WeakPolarHBondContact CA-O 3.27Å
337A95.5Very high93Very high0 Ų028.9 Ų28.90%018%0.175CC..EExtended strand (participates in β ladder)trans-123.7145.7170.100000110.1L281 K371 A388 L389L281-A337 HydrophobicContact CD1-CB 3.9Å; L281-A337 HydrophobicContact CD2-CB 3.74Å; L281-A337 HydrophobicContact CG-CB 4.43Å; A337-K371 CarbonylContact C-O 3.58Å; A337-K371 WeakPolarHBondContact CA-O 3.37Å; A337-K371 HydrophobicContact CB-CB 4.18Å; A337-A388 CarbonylContact O-C 3.6Å; A337-A388 WeakPolarHBondContact O-CA 3.46Å; A337-L389 HydrophobicContact CB-CB 4.21Å; A337-L389 HydrophobicContact CB-CD1 4.5Å; A337-L389 PolarHBondContact N-O 3.1Å; A337-L389 PolarHBondContact O-N 2.84Å
338L95.4Very high93Very high0 Ų029.7 Ų29.70%018%0.179CC..EExtended strand (participates in β ladder)trans-121.9107.8173.6-60.7176.9000108.4F313 F317 I353 L356 W370 K371 V372 G373 L386 A388F313-L338 HydrophobicContact CE1-CD1 4.37Å; F317-L338 HydrophobicContact CE2-CD2 3.76Å; F317-L338 HydrophobicContact CZ-CD2 3.63Å; L338-I353 HydrophobicContact CD1-CG1 3.82Å; L338-L356 HydrophobicContact CD1-CD1 4.39Å; L338-W370 HydrophobicContact CD1-CE3 4.03Å; L338-W370 HydrophobicContact CD1-CZ3 4.11Å; L338-W370 HydrophobicContact CD2-CE3 4.46Å; L338-W370 HydrophobicContact CD2-CZ3 4.02Å; L338-W370 HydrophobicContact CG-CE3 3.98Å; L338-W370 HydrophobicContact CG-CZ3 4.03Å; L338-K371 PolarHBondContact N-O 2.93Å; L338-V372 CarbonylContact O-C 3.36Å; L338-V372 WeakPolarHBondContact O-CA 3.49Å; L338-G373 PolarHBondContact O-N 3.4Å; L338-L386 HydrophobicContact CB-CD1 3.89Å; L338-L386 HydrophobicContact CD2-CD1 3.95Å; L338-L386 HydrophobicContact CD2-CD2 4.36Å; L338-L386 HydrophobicContact CG-CD1 4.5Å; L338-A388 HydrophobicContact CD2-CB 3.77Å
339L95.3Very high93Very high2 Ų230 Ų301%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-102.699.4176.6-57.9-179.6000108.6L260 V272 I277 L387 L389L260-L339 HydrophobicContact CD1-CD1 3.9Å; V272-L339 HydrophobicContact CB-CD2 4.23Å; V272-L339 HydrophobicContact CG1-CD2 4.47Å; V272-L339 HydrophobicContact CG2-CD2 4.22Å; I277-L339 HydrophobicContact CD1-CD1 4.19Å; L339-L387 HydrophobicContact CB-CB 4.26Å; L339-L387 HydrophobicContact CD1-CD2 4.03Å; L339-L387 PolarHBondContact N-O 3.29Å; L339-L387 PolarHBondContact O-N 2.9Å; L339-L389 HydrophobicContact CD1-CD1 4.48Å
340V95.1Very high93.1Very high1 Ų134.7 Ų34.71%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-98.3137-173.4-1800000109.8F313 I344 L349 G373 H374 C375 L386F313-V340 HydrophobicContact CE1-CG2 4.35Å; F313-V340 HydrophobicContact CZ-CG2 3.79Å; V340-I344 HydrophobicContact CG1-CD1 3.21Å; V340-I344 HydrophobicContact CG1-CG1 4.49Å; V340-L349 HydrophobicContact CG2-CD1 3.83Å; V340-G373 PolarHBondContact N-O 3.43Å; V340-H374 CarbonylContact O-C 3.6Å; V340-H374 WeakPolarHBondContact O-CA 3.31Å; V340-C375 PolarHBondContact O-N 3.03Å; V340-L386 HydrophobicContact CG2-CD1 3.56Å
341R93.8Very high93.3Very high1 Ų130.3 Ų30.30%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-126.9143.2179.4-59.7-170.163.9-166.7-5.1112E27 N259 C375 V377 Y384 C385E27-R341 IonicContact OE1-CZ 3.09Å; E27-R341 IonicContact OE1-NH1 3.17Å; E27-R341 PolarHBondContact OE1-NH1 2.74Å; E27-R341 IonicContact OE1-NH2 3.32Å; E27-R341 PolarHBondContact OE1-NH2 2.84Å; E27-R341 IonicContact OE2-NH1 3.72Å; E27-R341 IonicContact OE2-NH2 3.31Å; N259-R341 WeakPolarHBondContact OD1-CD 3.35Å; N259-R341 PolarHBondContact OD1-NH1 3.12Å; R341-C375 CarbonylContact C-O 3.56Å; R341-C375 WeakPolarHBondContact CA-O 3.39Å; R341-C375 HydrophobicContact CG-CB 4.2Å; R341-V377 PolarHBondContact NE-O 2.86Å; R341-V377 PolarHBondContact NH2-O 3.44Å; R341-V377 VanDerWaalsContact NH2-O 3.08Å; R341-Y384 WeakPolarHBondContact O-CA 3.48Å; R341-Y384 WeakPolarHBondContact O-CB 3.26Å; R341-C385 PolarHBondContact N-O 3.22Å; R341-C385 PolarHBondContact O-N 3.02Å
342G91.6Very high93.2Very high0 Ų029.8 Ų29.80%017%0.173CC..SBendtrans102.4164.5179.500000112.6I344 H374 C375 L376G342-I344 PolarHBondContact O-N 3.27Å; G342-H374 PolarHBondContact O-NE2 3.01Å; G342-C375 PolarHBondContact N-O 2.88Å; G342-L376 CarbonylContact C-O 3.59Å
343A88.7Confident93.2Very high83 Ų8330.6 Ų30.669%0.68618%0.177SC*.SBendtrans-70.588.6-175.600000112.2
344I90.5Very high93Very high17 Ų1733.7 Ų33.79%0.08719%0.194CC..  trans-112.6141.7179.2-67.9158.4000109.9L309 V340 G342 D348 L349 H374 Y384L309-I344 HydrophobicContact CD1-CD1 3.48Å; L309-I344 VanDerWaalsContact CD1-CD1 3.48Å; L309-I344 HydrophobicContact CD1-CG1 3.87Å; L309-I344 HydrophobicContact CD2-CG1 4.18Å; L309-I344 HydrophobicContact CD2-CG2 3.65Å; V340-I344 HydrophobicContact CG1-CD1 3.21Å; V340-I344 HydrophobicContact CG1-CG1 4.49Å; G342-I344 PolarHBondContact O-N 3.27Å; I344-D348 HydrophobicContact CG2-CB 4.35Å; I344-L349 HydrophobicContact CG2-CB 4.35Å; I344-H374 PolarHBondContact O-CE1 3.35Å; I344-Y384 HydrophobicContact CD1-CD1 4.48Å; I344-Y384 HydrophobicContact CD1-CG 4.48Å; I344-Y384 HydrophobicContact CG1-CD1 4.11Å
345S91.8Very high93Very high46 Ų4638.4 Ų38.432%0.32221%0.214SC..  trans-74.7144.717679.90000111.1S347 D348 L349S345-S347 PolarHBondContact O-N 3.38Å; S345-S347 PolarHBondContact OG-OG 3.5Å; S345-S347 VanDerWaalsContact OG-OG 3.08Å; S345-D348 PolarHBondContact O-N 3.04Å; S345-D348 WeakPolarHBondContact OG-CB 3.34Å; S345-D348 PolarHBondContact OG-N 2.92Å; S345-D348 VanDerWaalsContact OG-N 3.1Å; S345-D348 PolarHBondContact OG-OD2 3.14Å; S345-L349 PolarHBondContact O-N 3.01Å
346A90.3Very high92.8Very high78 Ų7838.6 Ų38.665%0.64522%0.215SC*.Hα-helixtrans-60.8-31177.600000112.6R350A346-R350 WeakPolarHBondContact O-CB 3.46Å; A346-R350 PolarHBondContact O-N 3.31Å
347S92.7Very high92.5Very high86 Ų8641.3 Ų41.360%0.60123%0.228SC*.Hα-helixtrans-69.9-42.117752.40000112.4S345 L349 R351S345-S347 PolarHBondContact O-N 3.38Å; S345-S347 PolarHBondContact OG-OG 3.5Å; S345-S347 VanDerWaalsContact OG-OG 3.08Å; S347-L349 VanDerWaalsContact C-N 3.34Å; S347-R351 WeakPolarHBondContact O-CB 3.38Å; S347-R351 PolarHBondContact O-N 3.35Å
348D92.6Very high92.2Very high47 Ų4746 Ų4625%0.25126%0.261SS..Hα-helixtrans-66-39174.5-71-48.9000111.7L309 I344 S345 R351 N352L309-D348 HydrophobicContact CD2-CB 3.71Å; I344-D348 HydrophobicContact CG2-CB 4.35Å; S345-D348 PolarHBondContact O-N 3.04Å; S345-D348 WeakPolarHBondContact OG-CB 3.34Å; S345-D348 PolarHBondContact OG-N 2.92Å; S345-D348 VanDerWaalsContact OG-N 3.1Å; S345-D348 PolarHBondContact OG-OD2 3.14Å; D348-R351 IonicContact OD1-CZ 3.7Å; D348-R351 IonicContact OD1-NH1 3.8Å; D348-R351 PolarHBondContact OD1-NH1 2.95Å; D348-R351 IonicContact OD1-NH2 3.74Å; D348-R351 PolarHBondContact OD1-NH2 3.37Å; D348-N352 PolarHBondContact O-N 2.89Å; D348-N352 VanDerWaalsContact O-N 3.13Å; D348-N352 PolarHBondContact O-ND2 3.44Å
349L92.6Very high91.9Very high8 Ų852.7 Ų52.74%0.04229%0.286CS..Hα-helixtrans-60.3-53.3175178.757.8000110.8M270 F313 V340 I344 S345 S347 R351 N352 I353 V372 H374M270-L349 HydrophobicContact SD-CD2 4.47Å; F313-L349 HydrophobicContact CE1-CD1 3.98Å; F313-L349 HydrophobicContact CZ-CD1 3.57Å; V340-L349 HydrophobicContact CG2-CD1 3.83Å; I344-L349 HydrophobicContact CG2-CB 4.35Å; S345-L349 PolarHBondContact O-N 3.01Å; S347-L349 VanDerWaalsContact C-N 3.34Å; L349-R351 PolarHBondContact O-N 3.39Å; L349-N352 PolarHBondContact O-N 3.43Å; L349-I353 HydrophobicContact CD1-CD1 3.9Å; L349-I353 HydrophobicContact CD1-CG1 4.38Å; L349-I353 HydrophobicContact CG-CD1 3.85Å; L349-I353 WeakPolarHBondContact O-CG1 3.36Å; L349-I353 PolarHBondContact O-N 2.89Å; L349-V372 HydrophobicContact CD1-CG1 4.25Å; L349-V372 HydrophobicContact CD2-CG1 3.89Å; L349-V372 HydrophobicContact CG-CG1 4.37Å; L349-H374 HydrophobicContact CD2-CB 4.41Å
350R92.1Very high91.7Very high145 Ų14553.2 Ų53.255%0.54729%0.289SS..Hα-helixtrans-59.4-46.1179.5-177.163.7-166.6-155.76.1112.1A346 N352 I353 D354A346-R350 WeakPolarHBondContact O-CB 3.46Å; A346-R350 PolarHBondContact O-N 3.31Å; R350-N352 VanDerWaalsContact C-N 3.26Å; R350-N352 PolarHBondContact O-N 3.16Å; R350-I353 PolarHBondContact O-N 2.95Å; R350-I353 VanDerWaalsContact O-N 3.13Å; R350-D354 IonicContact CZ-OD1 2.93Å; R350-D354 VanDerWaalsContact CZ-OD1 3.3Å; R350-D354 IonicContact NE-OD1 3.54Å; R350-D354 PolarHBondContact NE-OD1 2.73Å; R350-D354 IonicContact NE-OD2 3.75Å; R350-D354 PolarHBondContact NE-OD2 3.19Å; R350-D354 IonicContact NH2-OD1 3.81Å; R350-D354 PolarHBondContact NH2-OD1 3.05Å; R350-D354 PolarHBondContact O-N 3.26Å
351R94.2Very high91.5Very high105 Ų10556.4 Ų56.440%0.39631%0.306SS..Hα-helixtrans-55.3-41.6177-177.9-17772.6-131.7-4.7112.1D310 S347 D348 L349 K355D310-R351 IonicContact OD1-CZ 2.66Å; D310-R351 IonicContact OD1-NE 2.7Å; D310-R351 IonicContact OD1-NH2 2.66Å; D310-R351 PolarHBondContact OD1-NH2 3.13Å; D310-R351 IonicContact OD2-NE 2.71Å; D310-R351 IonicContact OD2-NH2 2.65Å; S347-R351 WeakPolarHBondContact O-CB 3.38Å; S347-R351 PolarHBondContact O-N 3.35Å; D348-R351 IonicContact OD1-CZ 3.7Å; D348-R351 IonicContact OD1-NH1 3.8Å; D348-R351 PolarHBondContact OD1-NH1 2.95Å; D348-R351 IonicContact OD1-NH2 3.74Å; D348-R351 PolarHBondContact OD1-NH2 3.37Å; L349-R351 PolarHBondContact O-N 3.39Å; R351-K355 WeakPolarHBondContact O-CG 3.3Å; R351-K355 PolarHBondContact O-N 3.47Å
352N93.5Very high91.5Very high4 Ų457.1 Ų57.12%0.02131%0.309CS..Hα-helixtrans-73.6-36.1179.9-80.9-68.3000112.4D310 F313 D348 L349 R350 K355 L356D310-N352 WeakPolarHBondContact CA-OD1 3.49Å; D310-N352 VanDerWaalsContact CG-OD1 3.32Å; D310-N352 PolarHBondContact OD1-ND2 3.39Å; D310-N352 PolarHBondContact OD1-OD1 2.9Å; F313-N352 HydrophobicContact CB-CB 4.1Å; F313-N352 HydrophobicContact CD1-CB 3.62Å; F313-N352 HydrophobicContact CD2-CB 3.94Å; F313-N352 HydrophobicContact CE1-CB 3.97Å; F313-N352 HydrophobicContact CE2-CB 4.28Å; F313-N352 HydrophobicContact CG-CB 3.61Å; F313-N352 HydrophobicContact CZ-CB 4.29Å; D348-N352 PolarHBondContact O-N 2.89Å; D348-N352 VanDerWaalsContact O-N 3.13Å; D348-N352 PolarHBondContact O-ND2 3.44Å; L349-N352 PolarHBondContact O-N 3.43Å; R350-N352 VanDerWaalsContact C-N 3.26Å; R350-N352 PolarHBondContact O-N 3.16Å; N352-K355 PolarHBondContact O-N 3.02Å; N352-L356 WeakPolarHBondContact O-CG 3.36Å; N352-L356 PolarHBondContact O-N 3.23Å
353I92.9Very high91.4Very high17 Ų1757.2 Ų57.29%0.08731%0.309CS..Hα-helixtrans-62.3-48174.1-66.7162000110.7L338 L349 R350 K355 L356 Q357 V372L338-I353 HydrophobicContact CD1-CG1 3.82Å; L349-I353 HydrophobicContact CD1-CD1 3.9Å; L349-I353 HydrophobicContact CD1-CG1 4.38Å; L349-I353 HydrophobicContact CG-CD1 3.85Å; L349-I353 WeakPolarHBondContact O-CG1 3.36Å; L349-I353 PolarHBondContact O-N 2.89Å; R350-I353 PolarHBondContact O-N 2.95Å; R350-I353 VanDerWaalsContact O-N 3.13Å; I353-K355 VanDerWaalsContact C-N 3.28Å; I353-K355 PolarHBondContact O-N 2.84Å; I353-L356 PolarHBondContact O-N 3.43Å; I353-Q357 WeakPolarHBondContact O-CB 3.22Å; I353-Q357 PolarHBondContact O-N 3.2Å; I353-V372 HydrophobicContact CD1-CG1 4.21Å; I353-V372 HydrophobicContact CD1-CG2 3.74Å
354D91.9Very high91.4Very high67 Ų6754.6 Ų54.636%0.35829%0.286SS..Hα-helixtrans-60.4-39.3180-62.7-33.5000111.2R350 S358R350-D354 IonicContact CZ-OD1 2.93Å; R350-D354 VanDerWaalsContact CZ-OD1 3.3Å; R350-D354 IonicContact NE-OD1 3.54Å; R350-D354 PolarHBondContact NE-OD1 2.73Å; R350-D354 IonicContact NE-OD2 3.75Å; R350-D354 PolarHBondContact NE-OD2 3.19Å; R350-D354 IonicContact NH2-OD1 3.81Å; R350-D354 PolarHBondContact NH2-OD1 3.05Å; R350-D354 PolarHBondContact O-N 3.26Å; D354-S358 PolarHBondContact O-N 2.94Å
355K92.1Very high91.3Very high99 Ų9960.1 Ų60.143%0.4331%0.305SS..Hα-helixtrans-62.4-42.6173.2-73.5176.1-175.9-178.50112.3D310 R351 N352 I353 S358D310-K355 IonicContact OD2-NZ 3.91Å; D310-K355 PolarHBondContact OD2-NZ 3.3Å; R351-K355 WeakPolarHBondContact O-CG 3.3Å; R351-K355 PolarHBondContact O-N 3.47Å; N352-K355 PolarHBondContact O-N 3.02Å; I353-K355 VanDerWaalsContact C-N 3.28Å; I353-K355 PolarHBondContact O-N 2.84Å; K355-S358 PolarHBondContact O-OG 3.38Å
356L91.6Very high91Very high5 Ų559.9 Ų59.93%0.02630%0.3CS..Hα-helixtrans-68.4-43.4178.7-73.8175.9000111.8F313 F317 L338 N352 I353 S358 R359 L360 W370F313-L356 HydrophobicContact CB-CD1 4.39Å; F313-L356 HydrophobicContact CD1-CD1 3.78Å; F317-L356 HydrophobicContact CD2-CD1 3.9Å; F317-L356 HydrophobicContact CD2-CD2 3.64Å; F317-L356 HydrophobicContact CD2-CG 4.42Å; F317-L356 HydrophobicContact CE2-CD1 3.5Å; F317-L356 VanDerWaalsContact CE2-CD1 3.5Å; F317-L356 HydrophobicContact CE2-CD2 4.11Å; F317-L356 HydrophobicContact CE2-CG 4.42Å; F317-L356 HydrophobicContact CG-CD2 4.17Å; F317-L356 HydrophobicContact CZ-CD1 4.28Å; L338-L356 HydrophobicContact CD1-CD1 4.39Å; N352-L356 WeakPolarHBondContact O-CG 3.36Å; N352-L356 PolarHBondContact O-N 3.23Å; I353-L356 PolarHBondContact O-N 3.43Å; L356-S358 PolarHBondContact O-N 3.48Å; L356-R359 PolarHBondContact O-N 3.08Å; L356-L360 HydrophobicContact CB-CD1 4.21Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.36Å; L356-L360 VanDerWaalsContact O-N 3.16Å; L356-W370 HydrophobicContact CB-CH2 4.36Å
357Q89.4Confident90.5Very high57 Ų5762.9 Ų62.927%0.26630%0.295SS..Hα-helixtrans-57.8-36.7179-168.9178.310.900111.7I353 R359 R367I353-Q357 WeakPolarHBondContact O-CB 3.22Å; I353-Q357 PolarHBondContact O-N 3.2Å; Q357-R359 VanDerWaalsContact C-N 3.28Å; Q357-R359 PolarHBondContact O-N 3.14Å; Q357-R367 PolarHBondContact NE2-O 2.98Å
358S87.9Confident89.8Confident99 Ų9966.1 Ų66.169%0.69230%0.301SS*.THydrogen-bonded Turntrans-69.2-21.2175.974.20000114.8D354 K355 L356D354-S358 PolarHBondContact O-N 2.94Å; K355-S358 PolarHBondContact O-OG 3.38Å; L356-S358 PolarHBondContact O-N 3.48Å
359R89.1Confident89.1Confident139 Ų13964.3 Ų64.353%0.52529%0.293SS..THydrogen-bonded Turntrans-99.4-18.7-174.3-73.317761.4-168.2-3.5113.7S314 L356 Q357S314-R359 PolarHBondContact OG-NH1 3.05Å; L356-R359 PolarHBondContact O-N 3.08Å; Q357-R359 VanDerWaalsContact C-N 3.28Å; Q357-R359 PolarHBondContact O-N 3.14Å
360L91.4Very high88.8Confident14 Ų1465.5 Ų65.57%0.07330%0.297CS..SBendtrans-109.8138-168.8-62.4171.2000110.5F317 Y333 L356 F362 W370F317-L360 HydrophobicContact CD1-CD1 3.6Å; F317-L360 HydrophobicContact CD1-CD2 4Å; F317-L360 HydrophobicContact CD1-CG 4.47Å; F317-L360 HydrophobicContact CE1-CD1 3.64Å; F317-L360 HydrophobicContact CG-CD1 4.22Å; F317-L360 HydrophobicContact CZ-CD1 4.3Å; Y333-L360 HydrophobicContact CD2-CB 4.29Å; Y333-L360 HydrophobicContact CE2-CB 4.2Å; Y333-L360 HydrophobicContact CE2-CD2 3.73Å; Y333-L360 HydrophobicContact CE2-CG 4.42Å; L356-L360 HydrophobicContact CB-CD1 4.21Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.36Å; L356-L360 VanDerWaalsContact O-N 3.16Å; L360-F362 HydrophobicContact CB-CD2 4.17Å; L360-F362 HydrophobicContact CB-CE2 3.76Å; L360-F362 HydrophobicContact CD1-CE2 4.42Å; L360-F362 PolarHBondContact O-N 3.45Å; L360-W370 HydrophobicContact CD1-CH2 3.26Å; L360-W370 HydrophobicContact CD1-CZ2 3.63Å; L360-W370 HydrophobicContact CD1-CZ3 4.48Å
361N91.4Very high88.8Confident68 Ų6861 Ų6136%0.36428%0.281SS..  trans-89.699-176.8-171.118.3000110.2V332 Y333 N452V332-N361 CarbonylContact C-O 3.56Å; V332-N361 WeakPolarHBondContact CA-O 3.24Å; Y333-N361 PolarHBondContact N-O 3.04Å; N361-N452 PolarHBondContact ND2-OD1 3.26Å
362F92.5Very high88.8Confident16 Ų1657 Ų577%0.0727%0.268CS..BIsolated β-bridgetrans-89.6152174.3-80.1-101.2000111.4Y333 A336 L360 N366 W370Y333-F362 HydrophobicContact CD1-CZ 4.33Å; Y333-F362 HydrophobicContact CG-CE2 4.24Å; Y333-F362 HydrophobicContact CG-CZ 4.14Å; Y333-F362 WeakPolarHBondContact O-CA 3.33Å; A336-F362 HydrophobicContact CB-CE1 4.26Å; A336-F362 HydrophobicContact CB-CZ 4Å; L360-F362 HydrophobicContact CB-CD2 4.17Å; L360-F362 HydrophobicContact CB-CE2 3.76Å; L360-F362 HydrophobicContact CD1-CE2 4.42Å; L360-F362 PolarHBondContact O-N 3.45Å; F362-N366 WeakPolarHBondContact CD1-O 3.44Å; F362-W370 HydrophobicContact CD2-CZ2 4.32Å; F362-W370 HydrophobicContact CE1-CD2 4.44Å; F362-W370 HydrophobicContact CE1-CZ2 4.43Å; F362-W370 HydrophobicContact CE2-CD2 4.46Å; F362-W370 AromaticContact CE2-CE2 3.42Å; F362-W370 VanDerWaalsContact CE2-CE2 3.42Å; F362-W370 AromaticContact CE2-CH2 3.92Å; F362-W370 HydrophobicContact CE2-CH2 3.92Å; F362-W370 AromaticContact CE2-CZ2 3.13Å; F362-W370 HydrophobicContact CE2-CZ2 3.13Å; F362-W370 AromaticContact CE2-NE1 3.59Å; F362-W370 AromaticContact CZ-CD2 3.8Å; F362-W370 HydrophobicContact CZ-CD2 3.8Å; F362-W370 AromaticContact CZ-CE2 3.18Å; F362-W370 HydrophobicContact CZ-CE3 4.25Å; F362-W370 AromaticContact CZ-CH2 3.73Å; F362-W370 HydrophobicContact CZ-CH2 3.73Å; F362-W370 AromaticContact CZ-CZ2 3.2Å; F362-W370 HydrophobicContact CZ-CZ2 3.2Å; F362-W370 HydrophobicContact CZ-CZ3 4.19Å; F362-W370 AromaticContact CZ-NE1 3.49Å
363V91Very high88.8Confident1 Ų156.8 Ų56.81%0.00627%0.268CS..  trans-53.3141.8168.5-71.10000111.5V332 Y333 L334 W365 N366V332-V363 HydrophobicContact CG1-CB 4.49Å; V332-V363 HydrophobicContact CG1-CG1 3.54Å; Y333-V363 PolarHBondContact O-N 3.16Å; L334-V363 HydrophobicContact CD2-CG1 3.45Å; L334-V363 VanDerWaalsContact CD2-CG1 3.45Å; V363-W365 HydrophobicContact CB-CD2 4.25Å; V363-W365 HydrophobicContact CB-CG 4.48Å; V363-W365 HydrophobicContact CB-CZ2 4.01Å; V363-W365 HydrophobicContact CG1-CZ2 4.12Å; V363-W365 HydrophobicContact CG2-CD2 3.74Å; V363-W365 VanDerWaalsContact CG2-CE2 3.44Å; V363-W365 HydrophobicContact CG2-CE3 4.08Å; V363-W365 HydrophobicContact CG2-CG 4.34Å; V363-W365 HydrophobicContact CG2-CH2 3.83Å; V363-W365 HydrophobicContact CG2-CZ2 3.51Å; V363-W365 HydrophobicContact CG2-CZ3 4.11Å; V363-W365 PolarHBondContact O-N 3.13Å; V363-W365 VanDerWaalsContact O-N 3.09Å; V363-N366 HydrophobicContact CG2-CB 3.64Å; V363-N366 CarbonylContact O-C 3.43Å; V363-N366 PolarHBondContact O-N 3.36Å
364P87.7Confident88.9Confident29 Ų2956.1 Ų56.119%0.18826%0.264CS..THydrogen-bonded Turntrans-54.6-33.5-175.7-31.837.9000115.2Q454 L456P364-Q454 HydrophobicContact CG-CB 4.4Å; P364-L456 HydrophobicContact CB-CD1 3.91Å; P364-L456 HydrophobicContact CG-CD1 4.26Å
365W87.9Confident88.9Confident132 Ų13253 Ų5350%0.525%0.248SC..THydrogen-bonded Turntrans-84.5-8.4-177.450.7-96.8000113.9P283 F284 L334 V363P283-W365 HydrophobicContact CB-CH2 3.82Å; P283-W365 HydrophobicContact CB-CZ3 4.26Å; P283-W365 HydrophobicContact CG-CH2 3.92Å; F284-W365 HydrophobicContact CE2-CH2 4.38Å; F284-W365 HydrophobicContact CE2-CZ2 4.21Å; L334-W365 HydrophobicContact CD2-CZ2 4.42Å; V363-W365 HydrophobicContact CB-CD2 4.25Å; V363-W365 HydrophobicContact CB-CG 4.48Å; V363-W365 HydrophobicContact CB-CZ2 4.01Å; V363-W365 HydrophobicContact CG1-CZ2 4.12Å; V363-W365 HydrophobicContact CG2-CD2 3.74Å; V363-W365 VanDerWaalsContact CG2-CE2 3.44Å; V363-W365 HydrophobicContact CG2-CE3 4.08Å; V363-W365 HydrophobicContact CG2-CG 4.34Å; V363-W365 HydrophobicContact CG2-CH2 3.83Å; V363-W365 HydrophobicContact CG2-CZ2 3.51Å; V363-W365 HydrophobicContact CG2-CZ3 4.11Å; V363-W365 PolarHBondContact O-N 3.13Å; V363-W365 VanDerWaalsContact O-N 3.09Å
366N87.2Confident88.9Confident41 Ų4152.1 Ų52.122%0.21925%0.247CC..  trans-139.453.7-179.6-162.722.1000112.8L334 F362 V363 E368 G369L334-N366 PolarHBondContact O-ND2 3.01Å; F362-N366 WeakPolarHBondContact CD1-O 3.44Å; V363-N366 HydrophobicContact CG2-CB 3.64Å; V363-N366 CarbonylContact O-C 3.43Å; V363-N366 PolarHBondContact O-N 3.36Å; N366-E368 PolarHBondContact O-N 2.94Å; N366-G369 VanDerWaalsContact ND2-CA 3.31Å; N366-G369 WeakPolarHBondContact ND2-CA 3.39Å; N366-G369 PolarHBondContact O-N 3.44Å; N366-G369 VanDerWaalsContact O-N 3.12Å; N366-G369 WeakPolarHBondContact OD1-CA 3.34Å; N366-G369 PolarHBondContact OD1-N 2.82Å
367R79.2Confident88.8Confident141 Ų14153.8 Ų53.853%0.53226%0.257SS..THydrogen-bonded Turntrans-66.6-21.6-179.3-67-179.9174.8-165.7-4.1114.3Q357Q357-R367 PolarHBondContact NE2-O 2.98Å
368E78.3Confident88.9Confident155 Ų15553.7 Ų53.772%0.72426%0.262SS*.THydrogen-bonded Turntrans-107.426.1175.7-60.4-169.1159.700111.5N366 W370N366-E368 PolarHBondContact O-N 2.94Å; E368-W370 PolarHBondContact O-N 2.58Å
369G78.2Confident88.9Confident8 Ų849.4 Ų49.48%0.08223%0.231CC..  trans-69.543.5-175.800000115.4A335 A336 N366A335-G369 CarbonylContact C-O 3.25Å; A335-G369 WeakPolarHBondContact CA-O 3.49Å; A336-G369 PolarHBondContact N-O 2.76Å; A336-G369 VanDerWaalsContact O-O 3.12Å; N366-G369 VanDerWaalsContact ND2-CA 3.31Å; N366-G369 WeakPolarHBondContact ND2-CA 3.39Å; N366-G369 PolarHBondContact O-N 3.44Å; N366-G369 VanDerWaalsContact O-N 3.12Å; N366-G369 WeakPolarHBondContact OD1-CA 3.34Å; N366-G369 PolarHBondContact OD1-N 2.82Å
370W85.5Confident88.7Confident34 Ų3444.2 Ų44.213%0.12922%0.215CC..EExtended strand (participates in β ladder)trans-112.2119.5-176.6-61.294.5000110.6F317 A336 L338 L356 L360 F362 E368F317-W370 HydrophobicContact CE1-CH2 4Å; F317-W370 HydrophobicContact CE1-CZ3 4.14Å; F317-W370 AromaticContact CZ-CH2 3.89Å; F317-W370 HydrophobicContact CZ-CH2 3.89Å; F317-W370 AromaticContact CZ-CZ3 3.73Å; F317-W370 HydrophobicContact CZ-CZ3 3.73Å; A336-W370 HydrophobicContact CB-CD2 4.28Å; A336-W370 HydrophobicContact CB-CE3 3.52Å; A336-W370 HydrophobicContact CB-CH2 4.28Å; A336-W370 HydrophobicContact CB-CZ3 3.49Å; A336-W370 VanDerWaalsContact CB-CZ3 3.49Å; A336-W370 CarbonylContact O-C 3.59Å; A336-W370 VanDerWaalsContact O-CA 3.22Å; A336-W370 WeakPolarHBondContact O-CA 3.33Å; L338-W370 HydrophobicContact CD1-CE3 4.03Å; L338-W370 HydrophobicContact CD1-CZ3 4.11Å; L338-W370 HydrophobicContact CD2-CE3 4.46Å; L338-W370 HydrophobicContact CD2-CZ3 4.02Å; L338-W370 HydrophobicContact CG-CE3 3.98Å; L338-W370 HydrophobicContact CG-CZ3 4.03Å; L356-W370 HydrophobicContact CB-CH2 4.36Å; L360-W370 HydrophobicContact CD1-CH2 3.26Å; L360-W370 HydrophobicContact CD1-CZ2 3.63Å; L360-W370 HydrophobicContact CD1-CZ3 4.48Å; F362-W370 HydrophobicContact CD2-CZ2 4.32Å; F362-W370 HydrophobicContact CE1-CD2 4.44Å; F362-W370 HydrophobicContact CE1-CZ2 4.43Å; F362-W370 HydrophobicContact CE2-CD2 4.46Å; F362-W370 AromaticContact CE2-CE2 3.42Å; F362-W370 VanDerWaalsContact CE2-CE2 3.42Å; F362-W370 AromaticContact CE2-CH2 3.92Å; F362-W370 HydrophobicContact CE2-CH2 3.92Å; F362-W370 AromaticContact CE2-CZ2 3.13Å; F362-W370 HydrophobicContact CE2-CZ2 3.13Å; F362-W370 AromaticContact CE2-NE1 3.59Å; F362-W370 AromaticContact CZ-CD2 3.8Å; F362-W370 HydrophobicContact CZ-CD2 3.8Å; F362-W370 AromaticContact CZ-CE2 3.18Å; F362-W370 HydrophobicContact CZ-CE3 4.25Å; F362-W370 AromaticContact CZ-CH2 3.73Å; F362-W370 HydrophobicContact CZ-CH2 3.73Å; F362-W370 AromaticContact CZ-CZ2 3.2Å; F362-W370 HydrophobicContact CZ-CZ2 3.2Å; F362-W370 HydrophobicContact CZ-CZ3 4.19Å; F362-W370 AromaticContact CZ-NE1 3.49Å; E368-W370 PolarHBondContact O-N 2.58Å
371K92.4Very high88.2Confident50 Ų5047.4 Ų47.422%0.21723%0.232CC..EExtended strand (participates in β ladder)trans-94.3130.8162.9-17168.9174.9-1670109.2V272 E276 L281 A336 A337 L338V272-K371 HydrophobicContact CG1-CG 4.05Å; V272-K371 HydrophobicContact CG2-CG 4.14Å; E276-K371 VanDerWaalsContact CD-NZ 3.27Å; E276-K371 IonicContact OE1-NZ 2.83Å; E276-K371 PolarHBondContact OE1-NZ 3.28Å; E276-K371 WeakPolarHBondContact OE2-CE 3.25Å; E276-K371 IonicContact OE2-NZ 3.85Å; E276-K371 PolarHBondContact OE2-NZ 3.41Å; L281-K371 HydrophobicContact CD1-CB 4.18Å; A336-K371 PolarHBondContact O-N 2.9Å; A337-K371 CarbonylContact C-O 3.58Å; A337-K371 WeakPolarHBondContact CA-O 3.37Å; A337-K371 HydrophobicContact CB-CB 4.18Å; L338-K371 PolarHBondContact N-O 2.93Å
372V93.5Very high87.9Confident20 Ų2045.4 Ų45.412%0.12122%0.221CC..EExtended strand (participates in β ladder)trans-118.7125.6-179.6-176.40000109.5M270 V272 L338 L349 I353M270-V372 HydrophobicContact CE-CB 3.97Å; M270-V372 HydrophobicContact CE-CG1 4.29Å; M270-V372 WeakPolarHBondContact CE-O 3.22Å; M270-V372 HydrophobicContact SD-CG1 4.27Å; V272-V372 WeakPolarHBondContact CG2-O 3.18Å; L338-V372 CarbonylContact O-C 3.36Å; L338-V372 WeakPolarHBondContact O-CA 3.49Å; L349-V372 HydrophobicContact CD1-CG1 4.25Å; L349-V372 HydrophobicContact CD2-CG1 3.89Å; L349-V372 HydrophobicContact CG-CG1 4.37Å; I353-V372 HydrophobicContact CD1-CG1 4.21Å; I353-V372 HydrophobicContact CD1-CG2 3.74Å
373G93.7Very high87.6Confident1 Ų152 Ų521%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-113.9141.4169.700000110.3M270 L338 V340M270-G373 CarbonylContact O-C 3.51Å; M270-G373 WeakPolarHBondContact O-CA 3.34Å; L338-G373 PolarHBondContact O-N 3.4Å; V340-G373 PolarHBondContact N-O 3.43Å
374H94.7Very high87.6Confident3 Ų355.5 Ų55.51%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-137.8106.8179.3179.2-139.2000110.4G268 T269 M270 V340 G342 I344 L349G268-H374 CarbonylContact C-O 3.54Å; G268-H374 WeakPolarHBondContact CA-O 3.5Å; T269-H374 PolarHBondContact N-O 2.88Å; T269-H374 PolarHBondContact OG1-ND1 3.08Å; M270-H374 HydrophobicContact CB-CB 4.16Å; M270-H374 PolarHBondContact N-O 3.3Å; M270-H374 PolarHBondContact O-N 2.87Å; V340-H374 CarbonylContact O-C 3.6Å; V340-H374 WeakPolarHBondContact O-CA 3.31Å; G342-H374 PolarHBondContact O-NE2 3.01Å; I344-H374 PolarHBondContact O-CE1 3.35Å; L349-H374 HydrophobicContact CD2-CB 4.41Å
375C93.1Very high87.8Confident1 Ų154.4 Ų54.41%0.00726%0.256CS..EExtended strand (participates in β ladder)trans-97.4130.9174.9174.90000110.1F266 V340 R341 G342 V377F266-C375 VanDerWaalsContact CB-SG 3.53Å; V340-C375 PolarHBondContact O-N 3.03Å; R341-C375 CarbonylContact C-O 3.56Å; R341-C375 WeakPolarHBondContact CA-O 3.39Å; R341-C375 HydrophobicContact CG-CB 4.2Å; G342-C375 PolarHBondContact N-O 2.88Å; C375-V377 VanDerWaalsContact C-N 3.32Å; C375-V377 PolarHBondContact O-N 3.32Å
376L91.1Very high88.2Confident81 Ų8148.2 Ų48.242%0.42423%0.232SC..SBendtrans-74.6-24.4-177.6-68.6173.9000112.8E267 T269 G342 P378E267-L376 PolarHBondContact O-N 3.25Å; T269-L376 HydrophobicContact CG2-CD1 4.37Å; T269-L376 HydrophobicContact CG2-CD2 3.91Å; T269-L376 HydrophobicContact CG2-CG 4.27Å; G342-L376 CarbonylContact C-O 3.59Å; L376-P378 WeakPolarHBondContact O-CD 3.26Å
377V90.2Very high88.6Confident39 Ų3946.2 Ų46.224%0.23622%0.222CC..SBendtrans-79.9113.9-178.7-179.20000110A31 F266 R341 C375A31-V377 HydrophobicContact CB-CG1 4.17Å; F266-V377 HydrophobicContact CB-CB 4.01Å; F266-V377 HydrophobicContact CB-CG2 3.75Å; F266-V377 HydrophobicContact CD1-CB 4.4Å; F266-V377 HydrophobicContact CD1-CG1 4.42Å; F266-V377 HydrophobicContact CD1-CG2 4.04Å; F266-V377 HydrophobicContact CD2-CB 3.95Å; F266-V377 HydrophobicContact CD2-CG1 4.04Å; F266-V377 HydrophobicContact CD2-CG2 4.41Å; F266-V377 HydrophobicContact CE2-CG1 4.1Å; F266-V377 HydrophobicContact CG-CB 3.88Å; F266-V377 HydrophobicContact CG-CG1 4.2Å; F266-V377 HydrophobicContact CG-CG2 3.83Å; F266-V377 HydrophobicContact CZ-CG1 4.36Å; R341-V377 PolarHBondContact NE-O 2.86Å; R341-V377 PolarHBondContact NH2-O 3.44Å; R341-V377 VanDerWaalsContact NH2-O 3.08Å; C375-V377 VanDerWaalsContact C-N 3.32Å; C375-V377 PolarHBondContact O-N 3.32Å
378P90.4Very high89.4Confident56 Ų5639.6 Ų39.636%0.36420%0.197SC..PPolyproline II helixtrans-68.6153.6177.331.1-35.3000110.9L376 H382 K383L376-P378 WeakPolarHBondContact O-CD 3.26Å; P378-H382 WeakPolarHBondContact CB-O 3.28Å; P378-K383 WeakPolarHBondContact CB-O 3.37Å
379P89.4Confident90.3Very high8 Ų832.2 Ų32.25%0.05216%0.163CC..PPolyproline II helixtrans-67.7163.7171.432.6-36.7000110.8D381 H382 C385P379-D381 PolarHBondContact O-N 3.43Å; P379-H382 HydrophobicContact CG-CB 4.11Å; P379-H382 PolarHBondContact O-N 2.65Å; P379-C385 HydrophobicContact CG-CB 3.55Å
380V84.3Confident91.1Very high30 Ų3032 Ų3218%0.18216%0.16CC..THydrogen-bonded Turntrans-55.8137.8175.7-171.70000110.1E27 I30 H382E27-V380 HydrophobicContact CB-CG2 3.92Å; E27-V380 HydrophobicContact CG-CG2 4.21Å; I30-V380 HydrophobicContact CD1-CB 4.45Å; I30-V380 HydrophobicContact CD1-CG1 3.76Å; I30-V380 HydrophobicContact CD1-CG2 3.96Å; V380-H382 PolarHBondContact O-N 2.68Å; V380-H382 VanDerWaalsContact O-N 3.08Å; V380-H382 PolarHBondContact O-ND1 3.18Å; V380-H382 VanDerWaalsContact O-ND1 3.16Å
381D81Confident91.7Very high81 Ų8130.3 Ų30.343%0.43315%0.154SC..THydrogen-bonded Turntrans66.4-1.9177.1-57.4-38.8000117.9T231 I303 P379T231-D381 PolarHBondContact OG1-OD1 3.48Å; I303-D381 HydrophobicContact CD1-CB 3.64Å; I303-D381 HydrophobicContact CG1-CB 3.94Å; P379-D381 PolarHBondContact O-N 3.43Å
382H84Confident91.8Very high27 Ų2728 Ų2813%0.12514%0.143CC..  trans-125.8150.1177.3-52.692000112.2P296 P378 P379 V380P296-H382 HydrophobicContact CG-CB 4.37Å; P296-H382 WeakPolarHBondContact CG-CD2 3.4Å; P378-H382 WeakPolarHBondContact CB-O 3.28Å; P379-H382 HydrophobicContact CG-CB 4.11Å; P379-H382 PolarHBondContact O-N 2.65Å; V380-H382 PolarHBondContact O-N 2.68Å; V380-H382 VanDerWaalsContact O-N 3.08Å; V380-H382 PolarHBondContact O-ND1 3.18Å; V380-H382 VanDerWaalsContact O-ND1 3.16Å
383K87.5Confident92Very high155 Ų15527 Ų2767%0.67414%0.137SC*.SBendtrans-74.3-34.1174.5-66.1-174.1178-177.10112.4P378P378-K383 WeakPolarHBondContact CB-O 3.37Å
384Y90.4Very high92.1Very high74 Ų7427 Ų2729%0.2914%0.137SC..  trans-151.3152.5-178.4-7.3-89.2000109.9P296 R341 I344P296-Y384 WeakPolarHBondContact CD-O 3.46Å; R341-Y384 WeakPolarHBondContact O-CA 3.48Å; R341-Y384 WeakPolarHBondContact O-CB 3.26Å; I344-Y384 HydrophobicContact CD1-CD1 4.48Å; I344-Y384 HydrophobicContact CD1-CG 4.48Å; I344-Y384 HydrophobicContact CG1-CD1 4.11Å
385C92.7Very high92.2Very high6 Ų626.8 Ų26.84%0.04114%0.136CC..EExtended strand (participates in β ladder)trans-146.3150.4173.1-179.20000109.8N259 S295 R341 P379N259-C385 PolarHBondContact ND2-SG 2.95Å; S295-C385 WeakPolarHBondContact O-CA 3.34Å; S295-C385 PolarHBondContact O-SG 3.08Å; R341-C385 PolarHBondContact N-O 3.22Å; R341-C385 PolarHBondContact O-N 3.02Å; P379-C385 HydrophobicContact CG-CB 3.55Å
386L94.8Very high92.3Very high1 Ų128 Ų281%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-126.1122.5172.4169.664.5000108.7Q294 S295 V312 F313 T316 L338 V340Q294-L386 VanDerWaalsContact CA-O 3.26Å; Q294-L386 WeakPolarHBondContact CA-O 3.22Å; S295-L386 PolarHBondContact N-O 3.31Å; S295-L386 PolarHBondContact O-N 3.41Å; V312-L386 HydrophobicContact CG1-CB 3.86Å; F313-L386 HydrophobicContact CB-CD2 4.39Å; F313-L386 HydrophobicContact CD1-CD2 3.69Å; F313-L386 HydrophobicContact CD2-CD2 4.35Å; F313-L386 HydrophobicContact CE1-CD2 3.97Å; F313-L386 HydrophobicContact CG-CD2 3.9Å; F313-L386 HydrophobicContact CZ-CD2 4.4Å; T316-L386 HydrophobicContact CG2-CD2 4.12Å; T316-L386 HydrophobicContact CG2-CG 4.22Å; L338-L386 HydrophobicContact CB-CD1 3.89Å; L338-L386 HydrophobicContact CD2-CD1 3.95Å; L338-L386 HydrophobicContact CD2-CD2 4.36Å; L338-L386 HydrophobicContact CG-CD1 4.5Å; V340-L386 HydrophobicContact CG2-CD1 3.56Å
387L96.3Very high92.5Very high0 Ų028.3 Ų28.30%014%0.141CC..EExtended strand (participates in β ladder)trans-99.2124161.816866.3000107.7M256 N259 L260 A292 S293 Q294 L339 L389M256-L387 HydrophobicContact CG-CD1 3.72Å; M256-L387 HydrophobicContact CG-CD2 4.42Å; N259-L387 HydrophobicContact CB-CB 3.82Å; N259-L387 HydrophobicContact CB-CD2 3.8Å; N259-L387 HydrophobicContact CB-CG 4.42Å; L260-L387 HydrophobicContact CB-CD2 3.84Å; L260-L387 HydrophobicContact CD1-CD2 4.44Å; L260-L387 VanDerWaalsContact N-CD2 3.34Å; A292-L387 HydrophobicContact CB-CD1 4.34Å; S293-L387 CarbonylContact O-C 3.59Å; S293-L387 WeakPolarHBondContact O-CA 3.24Å; S293-L387 WeakPolarHBondContact O-CD1 3.36Å; Q294-L387 HydrophobicContact CB-CD1 4.3Å; L339-L387 HydrophobicContact CB-CB 4.26Å; L339-L387 HydrophobicContact CD1-CD2 4.03Å; L339-L387 PolarHBondContact N-O 3.29Å; L339-L387 PolarHBondContact O-N 2.9Å; L387-L389 HydrophobicContact CD1-CD2 4.07Å; L387-L389 HydrophobicContact CD2-CD2 4.41Å; L387-L389 HydrophobicContact CG-CD2 4.23Å
388A96.2Very high92.8Very high1 Ų127.2 Ų27.21%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-109.1136.6168.600000110.4A292 S293 T316 F317 A337 L338A292-A388 CarbonylContact C-O 3.21Å; A292-A388 WeakPolarHBondContact CA-O 3.43Å; S293-A388 PolarHBondContact N-O 3.3Å; S293-A388 PolarHBondContact O-N 3.37Å; S293-A388 PolarHBondContact OG-O 3.45Å; T316-A388 HydrophobicContact CG2-CB 3.45Å; T316-A388 VanDerWaalsContact CG2-CB 3.45Å; F317-A388 HydrophobicContact CE2-CB 4.09Å; F317-A388 HydrophobicContact CZ-CB 3.77Å; A337-A388 CarbonylContact O-C 3.6Å; A337-A388 WeakPolarHBondContact O-CA 3.46Å; L338-A388 HydrophobicContact CD2-CB 3.77Å
389L97Very high93.1Very high1 Ų124.5 Ų24.51%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-112.5133.1171.8-54.2175.3000107.4L202 L260 I277 L281 A292 A336 A337 L339 L387L202-L389 HydrophobicContact CD2-CD2 3.8Å; L260-L389 HydrophobicContact CD1-CD1 3.76Å; I277-L389 HydrophobicContact CD1-CD1 4.12Å; I277-L389 HydrophobicContact CG2-CD1 3.65Å; L281-L389 HydrophobicContact CD2-CB 3.81Å; A292-L389 HydrophobicContact CB-CD2 3.87Å; A336-L389 CarbonylContact C-O 3.54Å; A336-L389 WeakPolarHBondContact CA-O 3.27Å; A337-L389 HydrophobicContact CB-CB 4.21Å; A337-L389 HydrophobicContact CB-CD1 4.5Å; A337-L389 PolarHBondContact N-O 3.1Å; A337-L389 PolarHBondContact O-N 2.84Å; L339-L389 HydrophobicContact CD1-CD1 4.48Å; L387-L389 HydrophobicContact CD1-CD2 4.07Å; L387-L389 HydrophobicContact CD2-CD2 4.41Å; L387-L389 HydrophobicContact CG-CD2 4.23Å
390A96.1Very high93.5Very high2 Ų226.3 Ų26.32%0.01713%0.129CC..EExtended strand (participates in β ladder)trans-132.7119.9-177.800000110.5I291 Y333 N392I291-A390 PolarHBondContact N-O 3.38Å; I291-A390 PolarHBondContact O-N 3.44Å; Y333-A390 HydrophobicContact CD1-CB 3.83Å; Y333-A390 HydrophobicContact CE1-CB 3.59Å; A390-N392 HydrophobicContact CB-CB 4.22Å; A390-N392 PolarHBondContact O-N 3.16Å
391N96.1Very high94.1Very high0 Ų028.6 Ų28.60%014%0.136CC..EExtended strand (participates in β ladder)trans-79.799.5160.9-167.8-15000107.3L281 L287 L290 L334 A335L281-N391 VanDerWaalsContact O-CB 3.29Å; L281-N391 WeakPolarHBondContact O-CB 3.33Å; L281-N391 PolarHBondContact O-ND2 3.24Å; L287-N391 PolarHBondContact O-ND2 3.28Å; L290-N391 HydrophobicContact CD2-CB 3.66Å; L334-N391 HydrophobicContact CB-CB 4.17Å; L334-N391 PolarHBondContact N-O 2.96Å; A335-N391 PolarHBondContact N-O 3.18Å; A335-N391 PolarHBondContact O-N 3.46Å
392N96Very high94.8Very high0 Ų025.4 Ų25.40%012%0.119CC..EExtended strand (participates in β ladder)trans-132.8137.6-169.4-179-78.2000110.4I291 P328 H331 V332 Y333 A390 S394 I395I291-N392 HydrophobicContact CD1-CB 4.25Å; P328-N392 HydrophobicContact CB-CB 4.31Å; P328-N392 PolarHBondContact O-ND2 2.84Å; H331-N392 WeakPolarHBondContact CB-OD1 3.45Å; V332-N392 PolarHBondContact O-ND2 2.84Å; Y333-N392 HydrophobicContact CD1-CB 4.27Å; Y333-N392 WeakPolarHBondContact CD2-ND2 2.94Å; Y333-N392 HydrophobicContact CE1-CB 4.43Å; Y333-N392 WeakPolarHBondContact CE2-ND2 3.39Å; A390-N392 HydrophobicContact CB-CB 4.22Å; A390-N392 PolarHBondContact O-N 3.16Å; N392-S394 PolarHBondContact O-N 3.4Å; N392-S394 VanDerWaalsContact O-N 3.12Å; N392-S394 WeakPolarHBondContact OD1-CB 3.46Å; N392-S394 PolarHBondContact OD1-N 3.01Å; N392-S394 PolarHBondContact OD1-OG 2.98Å; N392-I395 WeakPolarHBondContact O-CG2 3.33Å; N392-I395 PolarHBondContact O-N 3.05Å
393T96.5Very high95.4Very high0 Ų024.4 Ų24.40%011%0.114CC..THydrogen-bonded Turntrans-59.9-24.2-175.4460000113.5H331 V332 L334 I395 H396 Y444 F447 E448H331-T393 WeakPolarHBondContact CB-OG1 3.29Å; V332-T393 HydrophobicContact CB-CG2 4.29Å; V332-T393 PolarHBondContact N-OG1 3.13Å; V332-T393 PolarHBondContact O-N 2.86Å; V332-T393 PolarHBondContact O-OG1 3.48Å; L334-T393 HydrophobicContact CD2-CG2 4.47Å; T393-I395 PolarHBondContact O-N 2.96Å; T393-H396 WeakPolarHBondContact O-CB 3.44Å; T393-H396 PolarHBondContact O-CD2 3.08Å; T393-H396 PolarHBondContact O-N 3.19Å; T393-Y444 HydrophobicContact CG2-CD1 4.17Å; T393-Y444 WeakPolarHBondContact CG2-O 3.16Å; T393-F447 HydrophobicContact CG2-CB 4.21Å; T393-E448 HydrophobicContact CG2-CB 4.15Å
394S96.4Very high95.9Very high0 Ų021.9 Ų21.90%011%0.105CC..THydrogen-bonded Turntrans-55.2-18.5177.1650000115.2I291 T326 H331 N392 H396 E397I291-S394 VanDerWaalsContact CD1-OG 3.3Å; I291-S394 WeakPolarHBondContact CD1-OG 3.32Å; T326-S394 WeakPolarHBondContact CG2-O 3.2Å; T326-S394 PolarHBondContact OG1-OG 2.84Å; H331-S394 WeakPolarHBondContact CD2-CB 3.49Å; N392-S394 PolarHBondContact O-N 3.4Å; N392-S394 VanDerWaalsContact O-N 3.12Å; N392-S394 WeakPolarHBondContact OD1-CB 3.46Å; N392-S394 PolarHBondContact OD1-N 3.01Å; N392-S394 PolarHBondContact OD1-OG 2.98Å; S394-H396 PolarHBondContact O-N 3.42Å; S394-E397 WeakPolarHBondContact O-CB 3.35Å; S394-E397 PolarHBondContact O-N 3.18Å
395I96.5Very high96.1Very high0 Ų020.3 Ų20.30%010%0.098CC..Hα-helixtrans-57.4-28.5174.6-165.265.7000112.3P203 I291 M324 N392 T393 E397 S398 F399 Y444P203-I395 HydrophobicContact CG-CD1 3.9Å; I291-I395 HydrophobicContact CD1-CB 4.2Å; I291-I395 HydrophobicContact CD1-CD1 4.46Å; I291-I395 HydrophobicContact CG1-CD1 4.27Å; M324-I395 HydrophobicContact CE-CD1 3.82Å; N392-I395 WeakPolarHBondContact O-CG2 3.33Å; N392-I395 PolarHBondContact O-N 3.05Å; T393-I395 PolarHBondContact O-N 2.96Å; I395-E397 PolarHBondContact O-N 3.21Å; I395-E397 VanDerWaalsContact O-N 3.14Å; I395-S398 WeakPolarHBondContact O-CB 3.43Å; I395-S398 PolarHBondContact O-N 3.11Å; I395-F399 HydrophobicContact CB-CE2 4.41Å; I395-F399 HydrophobicContact CD1-CE1 4.33Å; I395-F399 HydrophobicContact CD1-CZ 4.26Å; I395-F399 HydrophobicContact CG1-CD1 4.48Å; I395-F399 HydrophobicContact CG1-CD2 4.22Å; I395-F399 HydrophobicContact CG1-CE1 3.93Å; I395-F399 HydrophobicContact CG1-CE2 3.62Å; I395-F399 HydrophobicContact CG1-CZ 3.47Å; I395-F399 VanDerWaalsContact CG1-CZ 3.47Å; I395-F399 HydrophobicContact CG2-CD2 4.47Å; I395-F399 HydrophobicContact CG2-CE2 4.01Å; I395-F399 PolarHBondContact O-N 3.47Å; I395-F399 VanDerWaalsContact O-N 3.12Å; I395-Y444 HydrophobicContact CG2-CD1 4.03Å; I395-Y444 HydrophobicContact CG2-CD2 3.6Å; I395-Y444 HydrophobicContact CG2-CE1 3.84Å; I395-Y444 HydrophobicContact CG2-CE2 3.39Å; I395-Y444 HydrophobicContact CG2-CG 3.92Å
396H95.9Very high96.3Very high26 Ų2620 Ų2012%0.1210%0.096CC..Hα-helixtrans-57.4-30176.983.265.1000112.1H331 T393 S394 F399 T400 I441 E448H331-H396 AromaticContact CE1-NE2 3.65Å; H331-H396 AromaticContact ND1-NE2 3.76Å; T393-H396 WeakPolarHBondContact O-CB 3.44Å; T393-H396 PolarHBondContact O-CD2 3.08Å; T393-H396 PolarHBondContact O-N 3.19Å; S394-H396 PolarHBondContact O-N 3.42Å; H396-F399 PolarHBondContact O-N 2.82Å; H396-T400 WeakPolarHBondContact O-CB 3.24Å; H396-T400 PolarHBondContact O-N 3.03Å; H396-T400 PolarHBondContact O-OG1 3.39Å; H396-I441 HydrophobicContact CB-CG2 4.4Å; H396-E448 IonicContact CD2-OE2 2.88Å; H396-E448 IonicContact NE2-OE2 3.3Å; H396-E448 PolarHBondContact NE2-OE2 3.3Å
397E95.9Very high96.5Very high88 Ų8823 Ų2341%0.41111%0.108SC..Hα-helixtrans-66.3-42.9178.4-62.9-17113800110.6H331 S394 I395 T400 F401H331-E397 IonicContact CE1-OE1 2.95Å; H331-E397 IonicContact NE2-OE1 3.93Å; H331-E397 PolarHBondContact NE2-OE1 3.28Å; H331-E397 IonicContact NE2-OE2 2.87Å; S394-E397 WeakPolarHBondContact O-CB 3.35Å; S394-E397 PolarHBondContact O-N 3.18Å; I395-E397 PolarHBondContact O-N 3.21Å; I395-E397 VanDerWaalsContact O-N 3.14Å; E397-T400 PolarHBondContact O-N 3.16Å; E397-F401 WeakPolarHBondContact O-CB 2.91Å; E397-F401 PolarHBondContact O-N 3.03Å
398S95.7Very high96.4Very high15 Ų1529.2 Ų29.211%0.10514%0.135CC..Hα-helixtrans-65.1-44.1177.1-60.40000111T326 I395 F401 I402T326-S398 WeakPolarHBondContact CG2-OG 3.33Å; I395-S398 WeakPolarHBondContact O-CB 3.43Å; I395-S398 PolarHBondContact O-N 3.11Å; S398-F401 PolarHBondContact O-N 3.25Å; S398-I402 WeakPolarHBondContact O-CD1 3.5Å; S398-I402 VanDerWaalsContact O-CG1 3.3Å; S398-I402 WeakPolarHBondContact O-CG1 3.43Å; S398-I402 PolarHBondContact O-N 2.88Å
399F97.3Very high96.4Very high0 Ų030.8 Ų30.80%014%0.143CC..Hα-helixtrans-64.2-41.8177-65.7-21.9000112.6F173 L191 Y289 I395 H396 F401 I402 L403 L437 L440 I441 Y444F173-F399 HydrophobicContact CZ-CE1 4.44Å; L191-F399 HydrophobicContact CD1-CD1 4.38Å; L191-F399 HydrophobicContact CD2-CE1 3.96Å; Y289-F399 HydrophobicContact CD1-CE1 4.36Å; Y289-F399 AromaticContact CD1-CZ 3.67Å; Y289-F399 HydrophobicContact CD1-CZ 3.67Å; Y289-F399 HydrophobicContact CD2-CE2 4.17Å; Y289-F399 AromaticContact CD2-CZ 3.86Å; Y289-F399 HydrophobicContact CD2-CZ 3.86Å; Y289-F399 HydrophobicContact CE1-CE1 4.29Å; Y289-F399 AromaticContact CE1-CZ 3.78Å; Y289-F399 HydrophobicContact CE1-CZ 3.78Å; Y289-F399 HydrophobicContact CE2-CE2 4.39Å; Y289-F399 HydrophobicContact CE2-CZ 4Å; Y289-F399 HydrophobicContact CG-CE2 4.33Å; Y289-F399 AromaticContact CG-CZ 3.69Å; Y289-F399 HydrophobicContact CG-CZ 3.69Å; Y289-F399 AromaticContact CZ-CZ 3.95Å; I395-F399 HydrophobicContact CB-CE2 4.41Å; I395-F399 HydrophobicContact CD1-CE1 4.33Å; I395-F399 HydrophobicContact CD1-CZ 4.26Å; I395-F399 HydrophobicContact CG1-CD1 4.48Å; I395-F399 HydrophobicContact CG1-CD2 4.22Å; I395-F399 HydrophobicContact CG1-CE1 3.93Å; I395-F399 HydrophobicContact CG1-CE2 3.62Å; I395-F399 HydrophobicContact CG1-CZ 3.47Å; I395-F399 VanDerWaalsContact CG1-CZ 3.47Å; I395-F399 HydrophobicContact CG2-CD2 4.47Å; I395-F399 HydrophobicContact CG2-CE2 4.01Å; I395-F399 PolarHBondContact O-N 3.47Å; I395-F399 VanDerWaalsContact O-N 3.12Å; H396-F399 PolarHBondContact O-N 2.82Å; F399-F401 VanDerWaalsContact C-N 3.32Å; F399-F401 PolarHBondContact O-N 2.96Å; F399-I402 HydrophobicContact CD1-CD1 4.43Å; F399-I402 PolarHBondContact O-N 3.31Å; F399-L403 WeakPolarHBondContact O-CB 3.27Å; F399-L403 PolarHBondContact O-N 3.3Å; F399-L437 HydrophobicContact CB-CD1 3.74Å; F399-L437 HydrophobicContact CB-CG 4.38Å; F399-L437 HydrophobicContact CD1-CD1 4Å; F399-L437 HydrophobicContact CD2-CD1 4.12Å; F399-L437 HydrophobicContact CG-CD1 3.7Å; F399-L440 HydrophobicContact CD2-CD2 3.86Å; F399-L440 HydrophobicContact CD2-CG 4.17Å; F399-L440 HydrophobicContact CE2-CD2 3.34Å; F399-L440 HydrophobicContact CE2-CG 3.92Å; F399-L440 HydrophobicContact CZ-CD2 3.95Å; F399-I441 HydrophobicContact CB-CD1 3.86Å; F399-I441 HydrophobicContact CB-CG1 3.53Å; F399-Y444 HydrophobicContact CE2-CD2 4.45Å; F399-Y444 HydrophobicContact CE2-CE2 4.09Å
400T97.3Very high96.3Very high46 Ų4632.7 Ų32.728%0.28215%0.151SC..Hα-helixtrans-59.7-45.5175.2-580000110.5H396 E397 I402 L403 E404H396-T400 WeakPolarHBondContact O-CB 3.24Å; H396-T400 PolarHBondContact O-N 3.03Å; H396-T400 PolarHBondContact O-OG1 3.39Å; E397-T400 PolarHBondContact O-N 3.16Å; T400-I402 PolarHBondContact O-N 3.31Å; T400-L403 PolarHBondContact O-N 3.3Å; T400-E404 WeakPolarHBondContact O-CG 3.24Å; T400-E404 PolarHBondContact O-N 2.93Å
401F96.1Very high96.3Very high77 Ų7742.4 Ų42.434%0.33819%0.187SC..Hα-helixtrans-60.5-43.4178178.5-106.5000112.9T176 E397 S398 F399 E404 R405T176-F401 HydrophobicContact CG2-CZ 4.09Å; T176-F401 WeakPolarHBondContact OG1-CZ 3.36Å; E397-F401 WeakPolarHBondContact O-CB 2.91Å; E397-F401 PolarHBondContact O-N 3.03Å; S398-F401 PolarHBondContact O-N 3.25Å; F399-F401 VanDerWaalsContact C-N 3.32Å; F399-F401 PolarHBondContact O-N 2.96Å; F401-E404 PolarHBondContact O-N 2.87Å; F401-R405 HydrophobicContact CE1-CG 4.47Å; F401-R405 HydrophobicContact CZ-CG 4.36Å; F401-R405 WeakPolarHBondContact O-CG 3.37Å; F401-R405 PolarHBondContact O-N 2.89Å; F401-R405 VanDerWaalsContact O-N 3.13Å
402I96.3Very high96.3Very high14 Ų1450.9 Ų50.97%0.07222%0.224CC..Hα-helixtrans-62.1-46.8176.1-67.8160.1000110.4F173 T187 V188 L191 S398 F399 T400 E404 R405 F406 L437F173-I402 HydrophobicContact CD1-CD1 3.44Å; F173-I402 VanDerWaalsContact CD1-CD1 3.44Å; F173-I402 HydrophobicContact CE1-CD1 3.48Å; F173-I402 VanDerWaalsContact CE1-CD1 3.48Å; T187-I402 HydrophobicContact CG2-CD1 4.01Å; T187-I402 HydrophobicContact CG2-CG1 4.38Å; T187-I402 HydrophobicContact CG2-CG2 3.75Å; V188-I402 HydrophobicContact CG2-CG2 3.84Å; L191-I402 HydrophobicContact CD1-CD1 4.26Å; L191-I402 HydrophobicContact CD1-CG2 4.37Å; S398-I402 WeakPolarHBondContact O-CD1 3.5Å; S398-I402 VanDerWaalsContact O-CG1 3.3Å; S398-I402 WeakPolarHBondContact O-CG1 3.43Å; S398-I402 PolarHBondContact O-N 2.88Å; F399-I402 HydrophobicContact CD1-CD1 4.43Å; F399-I402 PolarHBondContact O-N 3.31Å; T400-I402 PolarHBondContact O-N 3.31Å; I402-E404 VanDerWaalsContact C-N 3.33Å; I402-E404 PolarHBondContact O-N 3.12Å; I402-R405 WeakPolarHBondContact O-CB 3.49Å; I402-R405 PolarHBondContact O-N 3.43Å; I402-R405 VanDerWaalsContact O-N 3.16Å; I402-F406 WeakPolarHBondContact O-CB 3.25Å; I402-F406 PolarHBondContact O-N 3.18Å; I402-L437 HydrophobicContact CG2-CD2 4.33Å
403L97.1Very high96.2Very high6 Ų658.4 Ų58.43%0.03126%0.257CS..Hα-helixtrans-65-36.7-178.9-17161.1000112.1F399 T400 F406 Y407 A434 L437 Q438 I441F399-L403 WeakPolarHBondContact O-CB 3.27Å; F399-L403 PolarHBondContact O-N 3.3Å; T400-L403 PolarHBondContact O-N 3.3Å; L403-F406 HydrophobicContact CD1-CD1 4.3Å; L403-F406 WeakPolarHBondContact O-CB 3.37Å; L403-F406 PolarHBondContact O-N 3.37Å; L403-Y407 HydrophobicContact CD1-CD2 4.07Å; L403-Y407 HydrophobicContact CD1-CE2 3.56Å; L403-Y407 HydrophobicContact CD2-CE2 4.04Å; L403-Y407 HydrophobicContact CG-CD2 3.88Å; L403-Y407 HydrophobicContact CG-CE2 3.54Å; L403-Y407 WeakPolarHBondContact O-CD2 3.44Å; L403-Y407 PolarHBondContact O-N 3.09Å; L403-A434 HydrophobicContact CD1-CB 4Å; L403-L437 HydrophobicContact CB-CD2 4.14Å; L403-L437 HydrophobicContact CD1-CD2 4.35Å; L403-Q438 HydrophobicContact CD2-CB 4.09Å; L403-I441 HydrophobicContact CB-CD1 4.44Å; L403-I441 HydrophobicContact CD2-CD1 3.86Å
404E97Very high96.1Very high102 Ų10259.9 Ų59.948%0.47727%0.268SS..Hα-helixtrans-62.1-44.1171.8-76-177.2-17600112.3T400 F401 I402 F406 Y407 K408T400-E404 WeakPolarHBondContact O-CG 3.24Å; T400-E404 PolarHBondContact O-N 2.93Å; F401-E404 PolarHBondContact O-N 2.87Å; I402-E404 VanDerWaalsContact C-N 3.33Å; I402-E404 PolarHBondContact O-N 3.12Å; E404-F406 VanDerWaalsContact C-N 3.33Å; E404-Y407 PolarHBondContact O-N 2.89Å; E404-K408 VanDerWaalsContact O-CG 3.31Å; E404-K408 WeakPolarHBondContact O-CG 3.23Å; E404-K408 PolarHBondContact O-N 3.41Å
405R95.5Very high96Very high41 Ų4163.2 Ų63.216%0.15528%0.284CS..Hα-helixtrans-63.4-41.7176.2-70.3178.471.2-176.46.2111.3S175 T176 P184 F401 I402 K408 L409S175-R405 PolarHBondContact O-NH1 3.43Å; S175-R405 PolarHBondContact O-NH2 3.48Å; T176-R405 PolarHBondContact O-NH2 2.99Å; P184-R405 HydrophobicContact CB-CB 3.9Å; P184-R405 HydrophobicContact CG-CB 3.8Å; F401-R405 HydrophobicContact CE1-CG 4.47Å; F401-R405 HydrophobicContact CZ-CG 4.36Å; F401-R405 WeakPolarHBondContact O-CG 3.37Å; F401-R405 PolarHBondContact O-N 2.89Å; F401-R405 VanDerWaalsContact O-N 3.13Å; I402-R405 WeakPolarHBondContact O-CB 3.49Å; I402-R405 PolarHBondContact O-N 3.43Å; I402-R405 VanDerWaalsContact O-N 3.16Å; R405-K408 PolarHBondContact O-N 3.14Å; R405-L409 PolarHBondContact O-N 2.79Å
406F97.1Very high95.9Very high0 Ų064.3 Ų64.30%029%0.29CS..Hα-helixtrans-55.4-54173.5173.8-88.9000111.2P184 Y185 V188 I402 L403 E404 K408 L409 Y410 F430 A434P184-F406 HydrophobicContact CB-CB 4.44Å; Y185-F406 AromaticContact CD1-CD2 3.47Å; Y185-F406 HydrophobicContact CD1-CD2 3.47Å; Y185-F406 VanDerWaalsContact CD1-CD2 3.47Å; Y185-F406 AromaticContact CD1-CE2 3.48Å; Y185-F406 HydrophobicContact CD1-CE2 3.48Å; Y185-F406 VanDerWaalsContact CD1-CE2 3.48Å; Y185-F406 HydrophobicContact CD1-CG 4.41Å; Y185-F406 HydrophobicContact CD1-CZ 4.47Å; Y185-F406 AromaticContact CE1-CD2 3.96Å; Y185-F406 HydrophobicContact CE1-CD2 3.96Å; Y185-F406 AromaticContact CE1-CE2 3.86Å; Y185-F406 HydrophobicContact CE1-CE2 3.86Å; Y185-F406 HydrophobicContact CE1-CZ 4.46Å; V188-F406 HydrophobicContact CB-CD2 3.76Å; V188-F406 HydrophobicContact CB-CE2 4.19Å; V188-F406 HydrophobicContact CB-CG 4.4Å; V188-F406 HydrophobicContact CG1-CD2 4.06Å; V188-F406 HydrophobicContact CG1-CE2 4.12Å; V188-F406 HydrophobicContact CG2-CB 3.77Å; V188-F406 HydrophobicContact CG2-CD2 3.63Å; V188-F406 HydrophobicContact CG2-CE2 4.49Å; V188-F406 HydrophobicContact CG2-CG 3.83Å; I402-F406 WeakPolarHBondContact O-CB 3.25Å; I402-F406 PolarHBondContact O-N 3.18Å; L403-F406 HydrophobicContact CD1-CD1 4.3Å; L403-F406 WeakPolarHBondContact O-CB 3.37Å; L403-F406 PolarHBondContact O-N 3.37Å; E404-F406 VanDerWaalsContact C-N 3.33Å; F406-K408 VanDerWaalsContact C-N 3.31Å; F406-K408 PolarHBondContact O-N 3.18Å; F406-L409 PolarHBondContact O-N 3.34Å; F406-L409 VanDerWaalsContact O-N 3.14Å; F406-Y410 AromaticContact CE1-CD1 3.99Å; F406-Y410 HydrophobicContact CE1-CD1 3.99Å; F406-Y410 HydrophobicContact CE1-CD2 4.46Å; F406-Y410 AromaticContact CE1-CG 3.88Å; F406-Y410 HydrophobicContact CE1-CG 3.88Å; F406-Y410 HydrophobicContact CZ-CD1 4.4Å; F406-Y410 HydrophobicContact CZ-CD2 4.13Å; F406-Y410 HydrophobicContact CZ-CG 4.01Å; F406-Y410 WeakPolarHBondContact O-CB 3.26Å; F406-Y410 PolarHBondContact O-N 2.87Å; F406-F430 AromaticContact CE2-CD1 3.53Å; F406-F430 HydrophobicContact CE2-CD1 3.53Å; F406-F430 HydrophobicContact CE2-CE1 4.05Å; F406-F430 HydrophobicContact CE2-CG 4.38Å; F406-F430 HydrophobicContact CZ-CB 4.03Å; F406-F430 AromaticContact CZ-CD1 3.83Å; F406-F430 HydrophobicContact CZ-CD1 3.83Å; F406-F430 HydrophobicContact CZ-CG 4.25Å; F406-A434 HydrophobicContact CD1-CB 4.3Å; F406-A434 HydrophobicContact CE1-CB 3.79Å; F406-A434 HydrophobicContact CZ-CB 4.25Å
407Y97.5Very high95.8Very high64 Ų6468.3 Ų68.325%0.25131%0.308SS..Hα-helixtrans-65.7-30.2-178.7-77.9-55.6000113.6L403 E404 L409 Y410 R411L403-Y407 HydrophobicContact CD1-CD2 4.07Å; L403-Y407 HydrophobicContact CD1-CE2 3.56Å; L403-Y407 HydrophobicContact CD2-CE2 4.04Å; L403-Y407 HydrophobicContact CG-CD2 3.88Å; L403-Y407 HydrophobicContact CG-CE2 3.54Å; L403-Y407 WeakPolarHBondContact O-CD2 3.44Å; L403-Y407 PolarHBondContact O-N 3.09Å; E404-Y407 PolarHBondContact O-N 2.89Å; Y407-L409 VanDerWaalsContact C-N 3.27Å; Y407-L409 PolarHBondContact O-N 2.86Å; Y407-Y410 HydrophobicContact CD1-CD1 4.36Å; Y407-Y410 HydrophobicContact CE1-CD1 4.49Å; Y407-Y410 PolarHBondContact O-N 3.25Å; Y407-R411 VanDerWaalsContact O-CB 3.28Å; Y407-R411 WeakPolarHBondContact O-CB 3.37Å; Y407-R411 WeakPolarHBondContact O-CG 3.4Å; Y407-R411 PolarHBondContact O-N 2.99Å
408K95.5Very high95.8Very high130 Ų13068.1 Ų68.157%0.56531%0.307SS*.Hα-helixtrans-58.7-38.9173.8-77.4170.6-173.6170.20112.1E404 R405 F406E404-K408 VanDerWaalsContact O-CG 3.31Å; E404-K408 WeakPolarHBondContact O-CG 3.23Å; E404-K408 PolarHBondContact O-N 3.41Å; R405-K408 PolarHBondContact O-N 3.14Å; F406-K408 VanDerWaalsContact C-N 3.31Å; F406-K408 PolarHBondContact O-N 3.18Å
409L95.1Very high95.9Very high35 Ų3567.5 Ų67.518%0.18330%0.302CS..Hα-helixtrans-80.4-47.8175.7-62176.7000111.3V181 P184 Y185 R405 F406 Y407 R411 K412 K413 A414V181-L409 WeakPolarHBondContact O-CD1 3.19Å; P184-L409 HydrophobicContact CB-CD1 4.3Å; P184-L409 HydrophobicContact CG-CD1 3.99Å; Y185-L409 HydrophobicContact CE1-CB 3.73Å; Y185-L409 HydrophobicContact CE1-CD1 4.49Å; Y185-L409 HydrophobicContact CE2-CB 4.44Å; Y185-L409 WeakPolarHBondContact OH-CB 3.28Å; Y185-L409 PolarHBondContact OH-O 2.94Å; R405-L409 PolarHBondContact O-N 2.79Å; F406-L409 PolarHBondContact O-N 3.34Å; F406-L409 VanDerWaalsContact O-N 3.14Å; Y407-L409 VanDerWaalsContact C-N 3.27Å; Y407-L409 PolarHBondContact O-N 2.86Å; L409-R411 PolarHBondContact O-N 3.39Å; L409-K412 CarbonylContact O-C 3.58Å; L409-K412 PolarHBondContact O-N 2.77Å; L409-K412 VanDerWaalsContact O-N 3.08Å; L409-K413 PolarHBondContact O-N 3.49Å; L409-K413 VanDerWaalsContact O-N 3.16Å; L409-A414 HydrophobicContact CD2-CB 4.46Å; L409-A414 PolarHBondContact O-N 3.02Å
410Y96.5Very high95.8Very high40 Ų4070.3 Ų70.316%0.15732%0.32CS..Hα-helixtrans-61.8-41.2-174-166.8-119.3000113.3Y185 F406 Y407 K412 K413 L416 F430 D431Y185-Y410 HydrophobicContact CE1-CD2 4.43Å; Y185-Y410 WeakPolarHBondContact OH-CA 3.28Å; Y185-Y410 PolarHBondContact OH-N 2.95Å; F406-Y410 AromaticContact CE1-CD1 3.99Å; F406-Y410 HydrophobicContact CE1-CD1 3.99Å; F406-Y410 HydrophobicContact CE1-CD2 4.46Å; F406-Y410 AromaticContact CE1-CG 3.88Å; F406-Y410 HydrophobicContact CE1-CG 3.88Å; F406-Y410 HydrophobicContact CZ-CD1 4.4Å; F406-Y410 HydrophobicContact CZ-CD2 4.13Å; F406-Y410 HydrophobicContact CZ-CG 4.01Å; F406-Y410 WeakPolarHBondContact O-CB 3.26Å; F406-Y410 PolarHBondContact O-N 2.87Å; Y407-Y410 HydrophobicContact CD1-CD1 4.36Å; Y407-Y410 HydrophobicContact CE1-CD1 4.49Å; Y407-Y410 PolarHBondContact O-N 3.25Å; Y410-K412 PolarHBondContact O-N 2.84Å; Y410-K413 PolarHBondContact O-N 2.64Å; Y410-L416 HydrophobicContact CE2-CD1 4.23Å; Y410-F430 HydrophobicContact CE2-CB 3.88Å; Y410-F430 HydrophobicContact CE2-CD2 4.29Å; Y410-F430 HydrophobicContact CE2-CG 4.23Å; Y410-D431 VanDerWaalsContact CE1-OD1 3.22Å; Y410-D431 WeakPolarHBondContact CE1-OD1 3.15Å; Y410-D431 VanDerWaalsContact CZ-OD1 3.29Å; Y410-D431 VanDerWaalsContact OH-CG 3.27Å; Y410-D431 PolarHBondContact OH-OD1 3.42Å; Y410-D431 PolarHBondContact OH-OD2 3.14Å
411R95.8Very high95.7Very high207 Ų20773.5 Ų73.578%0.78134%0.339SS*.THydrogen-bonded Turntrans-60.2-29.1176-72.3174.9-177.7175.63.4113.2Y407 L409Y407-R411 VanDerWaalsContact O-CB 3.28Å; Y407-R411 WeakPolarHBondContact O-CB 3.37Å; Y407-R411 WeakPolarHBondContact O-CG 3.4Å; Y407-R411 PolarHBondContact O-N 2.99Å; L409-R411 PolarHBondContact O-N 3.39Å
412K95.3Very high95.7Very high178 Ų17870.7 Ų70.777%0.77433%0.328SS*.THydrogen-bonded Turntrans-91.7-3176.2-64.4-176.6179.2-179.60112.9L409 Y410 A414L409-K412 CarbonylContact O-C 3.58Å; L409-K412 PolarHBondContact O-N 2.77Å; L409-K412 VanDerWaalsContact O-N 3.08Å; Y410-K412 PolarHBondContact O-N 2.84Å; K412-A414 HydrophobicContact CB-CB 4.45Å; K412-A414 PolarHBondContact O-N 2.9Å; K412-A414 VanDerWaalsContact O-N 3.14Å
413K94.1Very high95.6Very high158 Ų15876.4 Ų76.469%0.68736%0.359SS*.THydrogen-bonded Turntrans50.531.1-170.9-56.1-174.8176.9-1720112.7L409 Y410 L416L409-K413 PolarHBondContact O-N 3.49Å; L409-K413 VanDerWaalsContact O-N 3.16Å; Y410-K413 PolarHBondContact O-N 2.64Å; K413-L416 HydrophobicContact CB-CD2 4.48Å
414A94.5Very high95.4Very high30 Ų3078.1 Ų78.125%0.24838%0.378CS..THydrogen-bonded Turntrans-68.4135.7-17800000109.6Y185 L409 K412 L416Y185-A414 VanDerWaalsContact CE2-O 3.26Å; Y185-A414 WeakPolarHBondContact CE2-O 3.38Å; Y185-A414 PolarHBondContact OH-O 3.17Å; L409-A414 HydrophobicContact CD2-CB 4.46Å; L409-A414 PolarHBondContact O-N 3.02Å; K412-A414 HydrophobicContact CB-CB 4.45Å; K412-A414 PolarHBondContact O-N 2.9Å; K412-A414 VanDerWaalsContact O-N 3.14Å; A414-L416 PolarHBondContact O-N 3.08Å
415H94.6Very high95.4Very high71 Ų7174.1 Ų74.133%0.32936%0.359SS..THydrogen-bonded Turntrans59.53177.5-60.1-69.4000116.9T182 H417 H418T182-H415 HydrophobicContact CG2-CB 3.58Å; H415-H417 PolarHBondContact O-N 2.96Å; H415-H418 AromaticContact ND1-CD2 3.64Å; H415-H418 AromaticContact ND1-NE2 3.51Å; H415-H418 WeakPolarHBondContact O-CB 3.29Å; H415-H418 PolarHBondContact O-CD2 2.87Å; H415-H418 PolarHBondContact O-N 3.46Å; H415-H418 VanDerWaalsContact O-N 3.08Å
416L94.5Very high95.3Very high23 Ų2377 Ų7712%0.1238%0.378CS..THydrogen-bonded Turntrans-57.2-38.2-177.3-171.569.7000112.6Y410 K413 A414 H418 Y419 T420 T427 F430Y410-L416 HydrophobicContact CE2-CD1 4.23Å; K413-L416 HydrophobicContact CB-CD2 4.48Å; A414-L416 PolarHBondContact O-N 3.08Å; L416-H418 PolarHBondContact O-N 3.38Å; L416-H418 VanDerWaalsContact O-N 3.16Å; L416-Y419 PolarHBondContact O-N 2.9Å; L416-T420 HydrophobicContact CG-CG2 4.11Å; L416-T420 PolarHBondContact O-N 3.16Å; L416-T420 VanDerWaalsContact O-N 3.14Å; L416-T427 HydrophobicContact CD2-CG2 4.26Å; L416-F430 HydrophobicContact CD1-CD2 3.48Å; L416-F430 VanDerWaalsContact CD1-CD2 3.48Å; L416-F430 HydrophobicContact CD1-CE2 3.25Å; L416-F430 HydrophobicContact CD1-CZ 4.25Å
417H93.9Very high95.1Very high110 Ų11079.4 Ų79.451%0.50939%0.393SS..Hα-helixtrans-59-26.6179.967.7-79.2000113.7H415 Y419 T420 T421H415-H417 PolarHBondContact O-N 2.96Å; H417-Y419 VanDerWaalsContact C-N 3.25Å; H417-Y419 PolarHBondContact O-N 3.32Å; H417-T420 WeakPolarHBondContact CA-OG1 3.46Å; H417-T421 WeakPolarHBondContact O-CG2 3.26Å; H417-T421 PolarHBondContact O-N 3.14Å; H417-T421 PolarHBondContact O-OG1 3.5Å; H417-T421 VanDerWaalsContact O-OG1 3.04Å
418H95.3Very high95Very high84 Ų8477.7 Ų77.739%0.38939%0.394SS..Hα-helixtrans-67.9-27.1175.6-61.5-53.3000112.6N103 H415 L416 T421N103-H418 PolarHBondContact ND2-O 3.23Å; H415-H418 AromaticContact ND1-CD2 3.64Å; H415-H418 AromaticContact ND1-NE2 3.51Å; H415-H418 WeakPolarHBondContact O-CB 3.29Å; H415-H418 PolarHBondContact O-CD2 2.87Å; H415-H418 PolarHBondContact O-N 3.46Å; H415-H418 VanDerWaalsContact O-N 3.08Å; L416-H418 PolarHBondContact O-N 3.38Å; L416-H418 VanDerWaalsContact O-N 3.16Å; H418-T421 PolarHBondContact O-OG1 3.05Å
419Y97.4Very high95.1Very high1 Ų173.7 Ų73.70%0.00438%0.378CS..Hα-helixtrans-87.6-47178.4-67.1-101.6000110.6N103 W104 A105 T182 Y185 N186 L189 L416 H417 T421 V422 F425 F430N103-Y419 VanDerWaalsContact OD1-CD1 3.31Å; N103-Y419 WeakPolarHBondContact OD1-CD1 3.43Å; N103-Y419 VanDerWaalsContact OD1-CE1 3.26Å; N103-Y419 WeakPolarHBondContact OD1-CE1 3.36Å; W104-Y419 HydrophobicContact CB-CE1 4.32Å; A105-Y419 HydrophobicContact CB-CD1 3.92Å; T182-Y419 WeakPolarHBondContact CB-OH 3.43Å; T182-Y419 HydrophobicContact CG2-CE2 4.22Å; Y185-Y419 HydrophobicContact CD2-CD2 4.22Å; Y185-Y419 AromaticContact CD2-CE2 3.67Å; Y185-Y419 HydrophobicContact CD2-CE2 3.67Å; Y185-Y419 HydrophobicContact CG-CE2 4.46Å; N186-Y419 WeakPolarHBondContact OD1-CE1 3.46Å; N186-Y419 PolarHBondContact OD1-OH 3.41Å; L189-Y419 HydrophobicContact CD1-CD1 4.05Å; L189-Y419 HydrophobicContact CD1-CE1 3.95Å; L416-Y419 PolarHBondContact O-N 2.9Å; H417-Y419 VanDerWaalsContact C-N 3.25Å; H417-Y419 PolarHBondContact O-N 3.32Å; Y419-T421 PolarHBondContact O-N 3.38Å; Y419-T421 VanDerWaalsContact O-N 3.17Å; Y419-V422 WeakPolarHBondContact O-CB 3.46Å; Y419-V422 PolarHBondContact O-N 3.16Å; Y419-F425 HydrophobicContact CD1-CE2 4.18Å; Y419-F425 HydrophobicContact CD1-CZ 4.23Å; Y419-F425 HydrophobicContact CG-CZ 4.44Å; Y419-F425 WeakPolarHBondContact O-CB 3.21Å; Y419-F430 HydrophobicContact CD1-CE2 4.47Å; Y419-F430 AromaticContact CD1-CZ 3.74Å; Y419-F430 HydrophobicContact CD1-CZ 3.74Å; Y419-F430 HydrophobicContact CD2-CZ 4.05Å; Y419-F430 HydrophobicContact CE1-CZ 4.2Å; Y419-F430 HydrophobicContact CE2-CZ 4.49Å; Y419-F430 HydrophobicContact CG-CE2 4.1Å; Y419-F430 AromaticContact CG-CZ 3.68Å; Y419-F430 HydrophobicContact CG-CZ 3.68Å
420T95.3Very high95.2Very high59 Ų5972 Ų7236%0.36237%0.37SS..Hα-helixtrans-68.9-14.5-176.561.20000114L416 H417 V422 F425 T427L416-T420 HydrophobicContact CG-CG2 4.11Å; L416-T420 PolarHBondContact O-N 3.16Å; L416-T420 VanDerWaalsContact O-N 3.14Å; H417-T420 WeakPolarHBondContact CA-OG1 3.46Å; T420-V422 VanDerWaalsContact C-N 3.29Å; T420-F425 HydrophobicContact CG2-CD1 4.31Å; T420-T427 WeakPolarHBondContact CG2-OG1 3.39Å
421T94.7Very high95.3Very high113 Ų11373.6 Ų73.669%0.69338%0.381SS*.THydrogen-bonded Turntrans-77.9-14.1171.549.60000113.3H417 H418 Y419H417-T421 WeakPolarHBondContact O-CG2 3.26Å; H417-T421 PolarHBondContact O-N 3.14Å; H417-T421 PolarHBondContact O-OG1 3.5Å; H417-T421 VanDerWaalsContact O-OG1 3.04Å; H418-T421 PolarHBondContact O-OG1 3.05Å; Y419-T421 PolarHBondContact O-N 3.38Å; Y419-T421 VanDerWaalsContact O-N 3.17Å
422V96.3Very high95.4Very high18 Ų1867 Ų6711%0.10937%0.367CS..SBendtrans-80.8129178.7-175.70000109.1A105 V106 L109 Y419 T420 G424 F425A105-V422 HydrophobicContact CB-CB 3.96Å; A105-V422 HydrophobicContact CB-CG1 4.18Å; A105-V422 HydrophobicContact CB-CG2 3.89Å; V106-V422 HydrophobicContact CG2-CG2 3.63Å; L109-V422 HydrophobicContact CB-CG1 4.26Å; Y419-V422 WeakPolarHBondContact O-CB 3.46Å; Y419-V422 PolarHBondContact O-N 3.16Å; T420-V422 VanDerWaalsContact C-N 3.29Å; V422-G424 PolarHBondContact O-N 3.2Å; V422-F425 HydrophobicContact CB-CB 4.37Å; V422-F425 WeakPolarHBondContact O-CB 3.31Å; V422-F425 PolarHBondContact O-N 3.08Å; V422-F425 VanDerWaalsContact O-N 3.09Å
423D95Very high95.5Very high135 Ų13558.7 Ų58.772%0.72233%0.331SS*.THydrogen-bonded Turntrans-59.2134.9179.8-175.939.3000111.7F425D423-F425 VanDerWaalsContact C-N 3.31Å; D423-F425 PolarHBondContact O-N 3.47Å
424G92.8Very high95.7Very high42 Ų4251.2 Ų51.243%0.43330%0.298SS..THydrogen-bonded Turntrans79.8-2.3-175.200000116V422V422-G424 PolarHBondContact O-N 3.2Å
425F97.1Very high95.8Very high17 Ų1754 Ų548%0.07531%0.309CS..  trans-84.7115.4174.8-167.4-87.5000111W104 A105 L109 L189 Y419 T420 V422 D423 M429 F430W104-F425 HydrophobicContact CE3-CE2 4.32Å; W104-F425 HydrophobicContact CZ3-CD2 4.4Å; W104-F425 HydrophobicContact CZ3-CE2 4.16Å; A105-F425 HydrophobicContact CB-CB 4.39Å; A105-F425 HydrophobicContact CB-CD2 3.49Å; A105-F425 VanDerWaalsContact CB-CD2 3.49Å; A105-F425 HydrophobicContact CB-CE2 4.08Å; A105-F425 HydrophobicContact CB-CG 4.11Å; L109-F425 HydrophobicContact CD1-CB 3.71Å; L109-F425 HydrophobicContact CD1-CD2 3.84Å; L109-F425 HydrophobicContact CD1-CG 4.28Å; L189-F425 HydrophobicContact CD1-CE2 3.92Å; L189-F425 HydrophobicContact CD1-CZ 4.18Å; L189-F425 HydrophobicContact CD2-CE2 4.2Å; L189-F425 HydrophobicContact CD2-CZ 4.34Å; Y419-F425 HydrophobicContact CD1-CE2 4.18Å; Y419-F425 HydrophobicContact CD1-CZ 4.23Å; Y419-F425 HydrophobicContact CG-CZ 4.44Å; Y419-F425 WeakPolarHBondContact O-CB 3.21Å; T420-F425 HydrophobicContact CG2-CD1 4.31Å; V422-F425 HydrophobicContact CB-CB 4.37Å; V422-F425 WeakPolarHBondContact O-CB 3.31Å; V422-F425 PolarHBondContact O-N 3.08Å; V422-F425 VanDerWaalsContact O-N 3.09Å; D423-F425 VanDerWaalsContact C-N 3.31Å; D423-F425 PolarHBondContact O-N 3.47Å; F425-M429 HydrophobicContact CD2-SD 4.06Å; F425-M429 HydrophobicContact CE2-CB 4.46Å; F425-M429 HydrophobicContact CE2-SD 4.26Å; F425-M429 HydrophobicContact CZ-CB 4.39Å; F425-F430 AromaticContact CE1-CD2 3.66Å; F425-F430 HydrophobicContact CE1-CD2 3.66Å; F425-F430 AromaticContact CE1-CE2 3.35Å; F425-F430 HydrophobicContact CE1-CE2 3.35Å; F425-F430 HydrophobicContact CE1-CZ 4.14Å; F425-F430 HydrophobicContact CE2-CE2 4.49Å; F425-F430 HydrophobicContact CZ-CD1 4.44Å; F425-F430 AromaticContact CZ-CD2 3.6Å; F425-F430 HydrophobicContact CZ-CD2 3.6Å; F425-F430 HydrophobicContact CZ-CE1 4.19Å; F425-F430 AromaticContact CZ-CE2 3.25Å; F425-F430 HydrophobicContact CZ-CE2 3.25Å; F425-F430 HydrophobicContact CZ-CG 4.2Å; F425-F430 AromaticContact CZ-CZ 3.61Å; F425-F430 HydrophobicContact CZ-CZ 3.61Å
426D93.8Very high96Very high102 Ų10252.1 Ų52.155%0.54530%0.304SS..  trans-98.8143.1171.2-179.944.9000111.3G428 M429D426-G428 PolarHBondContact O-N 3.03Å; D426-G428 WeakPolarHBondContact OD2-CA 3.13Å; D426-G428 PolarHBondContact OD2-N 3.43Å; D426-M429 HydrophobicContact CB-CG 4.38Å; D426-M429 VanDerWaalsContact O-CB 3.27Å; D426-M429 WeakPolarHBondContact O-CB 3.48Å; D426-M429 WeakPolarHBondContact O-CG 3.37Å; D426-M429 PolarHBondContact O-N 3.09Å
427T92.8Very high96.1Very high50 Ų5051.2 Ų51.231%0.30730%0.299SS..Hα-helixtrans-63.5-28.6178.1-550000111.3L416 T420 M429 F430L416-T427 HydrophobicContact CD2-CG2 4.26Å; T420-T427 WeakPolarHBondContact CG2-OG1 3.39Å; T427-M429 PolarHBondContact O-N 3.42Å; T427-F430 WeakPolarHBondContact O-CB 3.37Å; T427-F430 PolarHBondContact O-N 3.1Å; T427-F430 VanDerWaalsContact O-N 3.07Å
428G95.3Very high96.3Very high28 Ų2849.5 Ų49.529%0.28929%0.292SS..Hα-helixtrans-61.5-20.5174.400000114D426 F430 D431 S432D426-G428 PolarHBondContact O-N 3.03Å; D426-G428 WeakPolarHBondContact OD2-CA 3.13Å; D426-G428 PolarHBondContact OD2-N 3.43Å; G428-F430 VanDerWaalsContact C-N 3.27Å; G428-F430 PolarHBondContact O-N 3Å; G428-D431 PolarHBondContact O-N 3.41Å; G428-S432 WeakPolarHBondContact O-CB 3.36Å; G428-S432 PolarHBondContact O-N 2.87Å
429M97.4Very high96.4Very high47 Ų4751.2 Ų51.223%0.23230%0.3CS..Hα-helixtrans-61.2-38.2172.9-63.7-177.270.100111.4W104 L189 F425 D426 T427 D431 S432 S433W104-M429 HydrophobicContact CH2-CE 3.85Å; W104-M429 HydrophobicContact CZ3-CE 3.93Å; L189-M429 HydrophobicContact CD2-CB 4.34Å; F425-M429 HydrophobicContact CD2-SD 4.06Å; F425-M429 HydrophobicContact CE2-CB 4.46Å; F425-M429 HydrophobicContact CE2-SD 4.26Å; F425-M429 HydrophobicContact CZ-CB 4.39Å; D426-M429 HydrophobicContact CB-CG 4.38Å; D426-M429 VanDerWaalsContact O-CB 3.27Å; D426-M429 WeakPolarHBondContact O-CB 3.48Å; D426-M429 WeakPolarHBondContact O-CG 3.37Å; D426-M429 PolarHBondContact O-N 3.09Å; T427-M429 PolarHBondContact O-N 3.42Å; M429-D431 PolarHBondContact O-N 3.08Å; M429-S432 PolarHBondContact O-N 2.81Å; M429-S433 WeakPolarHBondContact O-CB 3.28Å; M429-S433 PolarHBondContact O-N 3.27Å; M429-S433 PolarHBondContact O-OG 3.05Å
430F97.5Very high96.4Very high0 Ų051.3 Ų51.30%030%0.3CS..Hα-helixtrans-62.8-44.1176.4-83.1-53.9000112.5Y185 L189 F406 Y410 L416 Y419 F425 T427 G428 A434Y185-F430 HydrophobicContact CD1-CE1 4.07Å; Y185-F430 HydrophobicContact CD2-CE1 4.31Å; Y185-F430 HydrophobicContact CD2-CZ 4.06Å; Y185-F430 AromaticContact CG-CE1 3.81Å; Y185-F430 HydrophobicContact CG-CE1 3.81Å; Y185-F430 HydrophobicContact CG-CZ 4.04Å; L189-F430 HydrophobicContact CD1-CD1 4.15Å; L189-F430 HydrophobicContact CD1-CE1 3.47Å; L189-F430 VanDerWaalsContact CD1-CE1 3.47Å; L189-F430 HydrophobicContact CD1-CZ 3.96Å; L189-F430 HydrophobicContact CD2-CD1 4Å; L189-F430 HydrophobicContact CD2-CE1 4.17Å; L189-F430 HydrophobicContact CG-CD1 4.08Å; L189-F430 HydrophobicContact CG-CE1 3.85Å; F406-F430 AromaticContact CE2-CD1 3.53Å; F406-F430 HydrophobicContact CE2-CD1 3.53Å; F406-F430 HydrophobicContact CE2-CE1 4.05Å; F406-F430 HydrophobicContact CE2-CG 4.38Å; F406-F430 HydrophobicContact CZ-CB 4.03Å; F406-F430 AromaticContact CZ-CD1 3.83Å; F406-F430 HydrophobicContact CZ-CD1 3.83Å; F406-F430 HydrophobicContact CZ-CG 4.25Å; Y410-F430 HydrophobicContact CE2-CB 3.88Å; Y410-F430 HydrophobicContact CE2-CD2 4.29Å; Y410-F430 HydrophobicContact CE2-CG 4.23Å; L416-F430 HydrophobicContact CD1-CD2 3.48Å; L416-F430 VanDerWaalsContact CD1-CD2 3.48Å; L416-F430 HydrophobicContact CD1-CE2 3.25Å; L416-F430 HydrophobicContact CD1-CZ 4.25Å; Y419-F430 HydrophobicContact CD1-CE2 4.47Å; Y419-F430 AromaticContact CD1-CZ 3.74Å; Y419-F430 HydrophobicContact CD1-CZ 3.74Å; Y419-F430 HydrophobicContact CD2-CZ 4.05Å; Y419-F430 HydrophobicContact CE1-CZ 4.2Å; Y419-F430 HydrophobicContact CE2-CZ 4.49Å; Y419-F430 HydrophobicContact CG-CE2 4.1Å; Y419-F430 AromaticContact CG-CZ 3.68Å; Y419-F430 HydrophobicContact CG-CZ 3.68Å; F425-F430 AromaticContact CE1-CD2 3.66Å; F425-F430 HydrophobicContact CE1-CD2 3.66Å; F425-F430 AromaticContact CE1-CE2 3.35Å; F425-F430 HydrophobicContact CE1-CE2 3.35Å; F425-F430 HydrophobicContact CE1-CZ 4.14Å; F425-F430 HydrophobicContact CE2-CE2 4.49Å; F425-F430 HydrophobicContact CZ-CD1 4.44Å; F425-F430 AromaticContact CZ-CD2 3.6Å; F425-F430 HydrophobicContact CZ-CD2 3.6Å; F425-F430 HydrophobicContact CZ-CE1 4.19Å; F425-F430 AromaticContact CZ-CE2 3.25Å; F425-F430 HydrophobicContact CZ-CE2 3.25Å; F425-F430 HydrophobicContact CZ-CG 4.2Å; F425-F430 AromaticContact CZ-CZ 3.61Å; F425-F430 HydrophobicContact CZ-CZ 3.61Å; T427-F430 WeakPolarHBondContact O-CB 3.37Å; T427-F430 PolarHBondContact O-N 3.1Å; T427-F430 VanDerWaalsContact O-N 3.07Å; G428-F430 VanDerWaalsContact C-N 3.27Å; G428-F430 PolarHBondContact O-N 3Å; F430-A434 WeakPolarHBondContact O-CB 3.33Å; F430-A434 PolarHBondContact O-N 3.45Å
431D97.1Very high96.5Very high72 Ų7249 Ų4939%0.38529%0.286SS..Hα-helixtrans-67.3-42.6178.7-63.1-39.9000110.7Y410 G428 M429 A434 N435Y410-D431 VanDerWaalsContact CE1-OD1 3.22Å; Y410-D431 WeakPolarHBondContact CE1-OD1 3.15Å; Y410-D431 VanDerWaalsContact CZ-OD1 3.29Å; Y410-D431 VanDerWaalsContact OH-CG 3.27Å; Y410-D431 PolarHBondContact OH-OD1 3.42Å; Y410-D431 PolarHBondContact OH-OD2 3.14Å; G428-D431 PolarHBondContact O-N 3.41Å; M429-D431 PolarHBondContact O-N 3.08Å; D431-A434 PolarHBondContact O-N 2.89Å; D431-N435 WeakPolarHBondContact O-CB 3.36Å; D431-N435 PolarHBondContact O-N 3.3Å; D431-N435 PolarHBondContact O-ND2 2.91Å; D431-N435 VanDerWaalsContact O-ND2 3.09Å
432S97.7Very high96.6Very high70 Ų7047.4 Ų47.449%0.4927%0.272SS..Hα-helixtrans-60.7-52.2177.3-1690000112G428 M429 A434 N435 S436G428-S432 WeakPolarHBondContact O-CB 3.36Å; G428-S432 PolarHBondContact O-N 2.87Å; M429-S432 PolarHBondContact O-N 2.81Å; S432-A434 VanDerWaalsContact C-N 3.33Å; S432-A434 PolarHBondContact O-N 2.78Å; S432-N435 PolarHBondContact O-N 3.19Å; S432-S436 WeakPolarHBondContact O-CB 3.49Å; S432-S436 PolarHBondContact O-N 3.26Å
433S98Very high96.5Very high3 Ų349.8 Ų49.82%0.02128%0.282CS..Hα-helixtrans-65.7-35.7-179.2-57.10000112.3D192 M429 L437D192-S433 WeakPolarHBondContact CB-OG 3.48Å; D192-S433 PolarHBondContact OD2-OG 3.02Å; M429-S433 WeakPolarHBondContact O-CB 3.28Å; M429-S433 PolarHBondContact O-N 3.27Å; M429-S433 PolarHBondContact O-OG 3.05Å; S433-L437 PolarHBondContact O-N 3.01Å; S433-L437 VanDerWaalsContact O-N 3.1Å
434A98.2Very high96.6Very high0 Ų043.4 Ų43.40%025%0.248CC..Hα-helixtrans-67.3-38.4174.300000112.4V188 L403 F406 F430 D431 S432 Q438V188-A434 HydrophobicContact CG1-CB 4.36Å; L403-A434 HydrophobicContact CD1-CB 4Å; F406-A434 HydrophobicContact CD1-CB 4.3Å; F406-A434 HydrophobicContact CE1-CB 3.79Å; F406-A434 HydrophobicContact CZ-CB 4.25Å; F430-A434 WeakPolarHBondContact O-CB 3.33Å; F430-A434 PolarHBondContact O-N 3.45Å; D431-A434 PolarHBondContact O-N 2.89Å; S432-A434 VanDerWaalsContact C-N 3.33Å; S432-A434 PolarHBondContact O-N 2.78Å; A434-Q438 PolarHBondContact O-N 3.32Å; A434-Q438 WeakPolarHBondContact O-CB 3.42Å
435N98Very high96.7Very high88 Ų8842.8 Ų42.847%0.47124%0.235SC..Hα-helixtrans-67.2-44.2175.5-71.1-26.5000111.6D431 S432 L437 Q438 E439D431-N435 WeakPolarHBondContact O-CB 3.36Å; D431-N435 PolarHBondContact O-N 3.3Å; D431-N435 PolarHBondContact O-ND2 2.91Å; D431-N435 VanDerWaalsContact O-ND2 3.09Å; S432-N435 PolarHBondContact O-N 3.19Å; N435-L437 PolarHBondContact O-N 2.87Å; N435-L437 VanDerWaalsContact C-N 3.34Å; N435-Q438 PolarHBondContact O-N 2.92Å; N435-Q438 VanDerWaalsContact O-N 3.09Å; N435-Q438 WeakPolarHBondContact O-CB 3.5Å; N435-E439 WeakPolarHBondContact O-CG 3.39Å; N435-E439 PolarHBondContact O-N 3.26Å
436S97.4Very high96.5Very high33 Ų3344.6 Ų44.623%0.23125%0.246CC..Hα-helixtrans-54.3-48.3174.3177.70000111.6D192 S432 Q438 E439 L440D192-S436 WeakPolarHBondContact OD1-CB 3.39Å; D192-S436 PolarHBondContact OD1-OG 2.87Å; D192-S436 VanDerWaalsContact OD1-OG 3.05Å; S432-S436 WeakPolarHBondContact O-CB 3.49Å; S432-S436 PolarHBondContact O-N 3.26Å; S436-Q438 PolarHBondContact O-N 3.37Å; S436-E439 PolarHBondContact O-N 3.4Å; S436-L440 PolarHBondContact O-N 3.48Å; S436-L440 VanDerWaalsContact O-N 3.08Å
437L98Very high96.3Very high4 Ų441.4 Ų41.42%0.02123%0.227CC..Hα-helixtrans-64.4-38.5175.7-174.557.8000112.9V188 L191 F399 I402 L403 S433 N435 L440 I441V188-L437 HydrophobicContact CG2-CD2 4.04Å; L191-L437 HydrophobicContact CD1-CD1 3.89Å; L191-L437 HydrophobicContact CD1-CD2 3.87Å; F399-L437 HydrophobicContact CB-CD1 3.74Å; F399-L437 HydrophobicContact CB-CG 4.38Å; F399-L437 HydrophobicContact CD1-CD1 4Å; F399-L437 HydrophobicContact CD2-CD1 4.12Å; F399-L437 HydrophobicContact CG-CD1 3.7Å; I402-L437 HydrophobicContact CG2-CD2 4.33Å; L403-L437 HydrophobicContact CB-CD2 4.14Å; L403-L437 HydrophobicContact CD1-CD2 4.35Å; S433-L437 PolarHBondContact O-N 3.01Å; S433-L437 VanDerWaalsContact O-N 3.1Å; N435-L437 PolarHBondContact O-N 2.87Å; N435-L437 VanDerWaalsContact C-N 3.34Å; L437-L440 HydrophobicContact CD1-CD2 4.43Å; L437-L440 PolarHBondContact O-N 2.92Å; L437-I441 HydrophobicContact CG-CD1 4.32Å; L437-I441 PolarHBondContact O-N 3.03Å; L437-I441 WeakPolarHBondContact O-CG1 3.22Å; L437-I441 VanDerWaalsContact O-CG1 3.3Å
438Q98Very high96.2Very high74 Ų7440.3 Ų40.335%0.34622%0.219SC..Hα-helixtrans-64-40.9176.6-177.469.152.700111.7L403 A434 N435 S436 I441 I442L403-Q438 HydrophobicContact CD2-CB 4.09Å; A434-Q438 PolarHBondContact O-N 3.32Å; A434-Q438 WeakPolarHBondContact O-CB 3.42Å; N435-Q438 PolarHBondContact O-N 2.92Å; N435-Q438 VanDerWaalsContact O-N 3.09Å; N435-Q438 WeakPolarHBondContact O-CB 3.5Å; S436-Q438 PolarHBondContact O-N 3.37Å; Q438-I441 PolarHBondContact O-N 3.19Å; Q438-I442 HydrophobicContact CG-CD1 4.21Å; Q438-I442 VanDerWaalsContact O-CG1 3.29Å; Q438-I442 WeakPolarHBondContact O-CG1 3.41Å; Q438-I442 PolarHBondContact O-N 3.07Å
439E97.2Very high96Very high119 Ų11946.7 Ų46.756%0.55623%0.234SC*.Hα-helixtrans-62.6-43175.1-72.8177.4-168.600111.2N435 S436 I441 I442 Q443N435-E439 WeakPolarHBondContact O-CG 3.39Å; N435-E439 PolarHBondContact O-N 3.26Å; S436-E439 PolarHBondContact O-N 3.4Å; E439-I441 PolarHBondContact O-N 3.43Å; E439-I442 PolarHBondContact O-N 2.96Å; E439-Q443 PolarHBondContact O-N 2.92Å; E439-Q443 WeakPolarHBondContact O-CG 3.41Å
440L96.3Very high95.6Very high4 Ų449.3 Ų49.32%0.02125%0.246CC..Hα-helixtrans-60.4-43.5176-173.262.3000112.2H286 L287 Y289 F399 S436 L437 I442 Q443 Y444H286-L440 HydrophobicContact CB-CD1 4.45Å; H286-L440 WeakPolarHBondContact O-CD1 3.47Å; L287-L440 HydrophobicContact CD2-CD1 3.41Å; L287-L440 VanDerWaalsContact CD2-CD1 3.41Å; Y289-L440 HydrophobicContact CD2-CD2 4.11Å; Y289-L440 HydrophobicContact CE2-CD2 3.53Å; F399-L440 HydrophobicContact CD2-CD2 3.86Å; F399-L440 HydrophobicContact CD2-CG 4.17Å; F399-L440 HydrophobicContact CE2-CD2 3.34Å; F399-L440 HydrophobicContact CE2-CG 3.92Å; F399-L440 HydrophobicContact CZ-CD2 3.95Å; S436-L440 PolarHBondContact O-N 3.48Å; S436-L440 VanDerWaalsContact O-N 3.08Å; L437-L440 HydrophobicContact CD1-CD2 4.43Å; L437-L440 PolarHBondContact O-N 2.92Å; L440-I442 VanDerWaalsContact C-N 3.33Å; L440-I442 PolarHBondContact O-N 3.29Å; L440-Q443 PolarHBondContact O-N 3.08Å; L440-Y444 VanDerWaalsContact O-N 3.13Å; L440-Y444 PolarHBondContact O-N 3.22Å; L440-Y444 WeakPolarHBondContact O-CD2 3.37Å; L440-Y444 HydrophobicContact CG-CE2 3.95Å; L440-Y444 HydrophobicContact CG-CD2 4.1Å; L440-Y444 HydrophobicContact CD1-CE2 3.71Å; L440-Y444 HydrophobicContact CD1-CD2 4.09Å
441I97.6Very high95Very high10 Ų1049.9 Ų49.95%0.05125%0.25CS..Hα-helixtrans-58.9-45.6174.6-69.8161.9000110.9H396 F399 L403 L437 Q438 E439 T445H396-I441 HydrophobicContact CB-CG2 4.4Å; F399-I441 HydrophobicContact CB-CD1 3.86Å; F399-I441 HydrophobicContact CB-CG1 3.53Å; L403-I441 HydrophobicContact CB-CD1 4.44Å; L403-I441 HydrophobicContact CD2-CD1 3.86Å; L437-I441 HydrophobicContact CG-CD1 4.32Å; L437-I441 PolarHBondContact O-N 3.03Å; L437-I441 WeakPolarHBondContact O-CG1 3.22Å; L437-I441 VanDerWaalsContact O-CG1 3.3Å; Q438-I441 PolarHBondContact O-N 3.19Å; E439-I441 PolarHBondContact O-N 3.43Å; I441-T445 WeakPolarHBondContact O-CB 3.38Å; I441-T445 PolarHBondContact O-N 2.94Å; I441-T445 PolarHBondContact O-OG1 2.9Å
442I97.1Very high94.4Very high79 Ų7951.1 Ų51.141%0.40526%0.257SS..Hα-helixtrans-61.9-46.8179.8-69.9164.7000110.2Q438 E439 L440 Y444 T445 D446Q438-I442 HydrophobicContact CG-CD1 4.21Å; Q438-I442 VanDerWaalsContact O-CG1 3.29Å; Q438-I442 WeakPolarHBondContact O-CG1 3.41Å; Q438-I442 PolarHBondContact O-N 3.07Å; E439-I442 PolarHBondContact O-N 2.96Å; L440-I442 VanDerWaalsContact C-N 3.33Å; L440-I442 PolarHBondContact O-N 3.29Å; I442-Y444 PolarHBondContact O-N 3.36Å; I442-T445 PolarHBondContact O-N 3.36Å; I442-D446 WeakPolarHBondContact CG2-OD2 3.43Å; I442-D446 WeakPolarHBondContact O-CB 3.42Å; I442-D446 PolarHBondContact O-N 3.14Å
443Q94.9Very high93.4Very high69 Ų6950.9 Ų50.932%0.32227%0.266SS..Hα-helixtrans-58.3-50.7179.9-70.7177.735.600112.2L287 E439 L440 T445 D446 F447L287-Q443 HydrophobicContact CD2-CB 4.09Å; E439-Q443 PolarHBondContact O-N 2.92Å; E439-Q443 WeakPolarHBondContact O-CG 3.41Å; L440-Q443 PolarHBondContact O-N 3.08Å; Q443-T445 VanDerWaalsContact C-N 3.34Å; Q443-T445 PolarHBondContact O-N 3.14Å; Q443-D446 PolarHBondContact O-N 2.96Å; Q443-F447 WeakPolarHBondContact O-CD2 3.37Å; Q443-F447 VanDerWaalsContact O-CD2 3.25Å; Q443-F447 VanDerWaalsContact O-N 3.08Å; Q443-F447 PolarHBondContact O-N 3.16Å
444Y95.6Very high91.7Very high0 Ų055.7 Ų55.70%029%0.288CS..Hα-helixtrans-60.7-42.2177-82.4-64.2000112.4L287 L334 T393 I395 F399 L440 I442 D446 F447 E448L287-Y444 WeakPolarHBondContact CA-OH 3.35Å; L287-Y444 HydrophobicContact CB-CE1 4.14Å; L287-Y444 HydrophobicContact CD1-CE1 4.37Å; L287-Y444 HydrophobicContact CD2-CD1 4.45Å; L287-Y444 HydrophobicContact CD2-CD2 4.02Å; L287-Y444 HydrophobicContact CD2-CE1 4.18Å; L287-Y444 HydrophobicContact CD2-CE2 3.71Å; L287-Y444 HydrophobicContact CD2-CG 4.38Å; L287-Y444 HydrophobicContact CG-CE1 4.47Å; L334-Y444 HydrophobicContact CD1-CE1 4.23Å; T393-Y444 HydrophobicContact CG2-CD1 4.17Å; T393-Y444 WeakPolarHBondContact CG2-O 3.16Å; I395-Y444 HydrophobicContact CG2-CD1 4.03Å; I395-Y444 HydrophobicContact CG2-CD2 3.6Å; I395-Y444 HydrophobicContact CG2-CE1 3.84Å; I395-Y444 HydrophobicContact CG2-CE2 3.39Å; I395-Y444 HydrophobicContact CG2-CG 3.92Å; F399-Y444 HydrophobicContact CE2-CD2 4.45Å; F399-Y444 HydrophobicContact CE2-CE2 4.09Å; L440-Y444 VanDerWaalsContact O-N 3.13Å; L440-Y444 PolarHBondContact O-N 3.22Å; L440-Y444 WeakPolarHBondContact O-CD2 3.37Å; L440-Y444 HydrophobicContact CG-CE2 3.95Å; L440-Y444 HydrophobicContact CG-CD2 4.1Å; L440-Y444 HydrophobicContact CD1-CE2 3.71Å; L440-Y444 HydrophobicContact CD1-CD2 4.09Å; I442-Y444 PolarHBondContact O-N 3.36Å; Y444-D446 VanDerWaalsContact C-N 3.35Å; Y444-D446 PolarHBondContact O-N 3.38Å; Y444-F447 PolarHBondContact O-N 3.34Å; Y444-E448 PolarHBondContact O-N 2.9Å; Y444-E448 VanDerWaalsContact O-N 3.13Å
445T95.2Very high89.5Confident29 Ų2960.3 Ų60.318%0.17833%0.326CS..Hα-helixtrans-64.3-39.8178.6-55.20000111.7I441 I442 Q443 E448 R449I441-T445 WeakPolarHBondContact O-CB 3.38Å; I441-T445 PolarHBondContact O-N 2.94Å; I441-T445 PolarHBondContact O-OG1 2.9Å; I442-T445 PolarHBondContact O-N 3.36Å; Q443-T445 VanDerWaalsContact C-N 3.34Å; Q443-T445 PolarHBondContact O-N 3.14Å; T445-E448 PolarHBondContact O-N 3.18Å; T445-R449 WeakPolarHBondContact O-CG 3.1Å; T445-R449 PolarHBondContact O-N 2.9Å
446D92.9Very high87.3Confident56 Ų5660.1 Ų60.130%0.29932%0.324SS..Hα-helixtrans-69.8-37.6-179.8-75.5-16.1000111.8I442 Q443 Y444 E448 R449 Q450I442-D446 WeakPolarHBondContact CG2-OD2 3.43Å; I442-D446 WeakPolarHBondContact O-CB 3.42Å; I442-D446 PolarHBondContact O-N 3.14Å; Q443-D446 PolarHBondContact O-N 2.96Å; Y444-D446 VanDerWaalsContact C-N 3.35Å; Y444-D446 PolarHBondContact O-N 3.38Å; D446-E448 PolarHBondContact O-N 3.31Å; D446-E448 VanDerWaalsContact C-N 3.33Å; D446-R449 PolarHBondContact O-N 3.09Å; D446-R449 IonicContact OD1-CZ 2.71Å; D446-R449 IonicContact OD1-NH1 3.14Å; D446-R449 PolarHBondContact OD1-NH1 3.5Å; D446-Q450 WeakPolarHBondContact O-CB 3.27Å; D446-Q450 VanDerWaalsContact O-CG 3.24Å; D446-Q450 WeakPolarHBondContact O-CG 3.37Å; D446-Q450 PolarHBondContact O-N 3.26Å
447F89.5Confident84.9Confident35 Ų3563.3 Ų63.315%0.15434%0.344CS..Hα-helixtrans-61-41.7170.8-85.5-66.9000112.4F284 L287 L334 T393 Q443 Y444 Q450 A451F284-F447 HydrophobicContact CD2-CE2 4.07Å; F284-F447 AromaticContact CD2-CZ 3.89Å; F284-F447 HydrophobicContact CD2-CZ 3.89Å; F284-F447 HydrophobicContact CE1-CZ 4.2Å; F284-F447 AromaticContact CE2-CE1 3.75Å; F284-F447 HydrophobicContact CE2-CE1 3.75Å; F284-F447 AromaticContact CE2-CE2 3.84Å; F284-F447 HydrophobicContact CE2-CE2 3.84Å; F284-F447 AromaticContact CE2-CZ 3.22Å; F284-F447 HydrophobicContact CE2-CZ 3.22Å; F284-F447 AromaticContact CZ-CE1 3.91Å; F284-F447 HydrophobicContact CZ-CE1 3.91Å; F284-F447 HydrophobicContact CZ-CE2 4.36Å; F284-F447 AromaticContact CZ-CZ 3.41Å; F284-F447 HydrophobicContact CZ-CZ 3.41Å; F284-F447 VanDerWaalsContact CZ-CZ 3.41Å; L287-F447 HydrophobicContact CD1-CD2 3.72Å; L287-F447 HydrophobicContact CD1-CE2 3.55Å; L334-F447 HydrophobicContact CD2-CB 4.34Å; L334-F447 HydrophobicContact CD2-CG 4.37Å; T393-F447 HydrophobicContact CG2-CB 4.21Å; Q443-F447 WeakPolarHBondContact O-CD2 3.37Å; Q443-F447 VanDerWaalsContact O-CD2 3.25Å; Q443-F447 VanDerWaalsContact O-N 3.08Å; Q443-F447 PolarHBondContact O-N 3.16Å; Y444-F447 PolarHBondContact O-N 3.34Å; F447-Q450 PolarHBondContact O-N 3.2Å; F447-A451 WeakPolarHBondContact O-CB 3.37Å; F447-A451 PolarHBondContact O-N 3.07Å
448E91.2Very high82.7Confident27 Ų2771.3 Ų71.313%0.12639%0.387CS..Hα-helixtrans-62.5-44.6176-180164-159.400111.8H331 V332 T393 H396 Y444 T445 D446 N452H331-E448 IonicContact CE1-OE1 3.34Å; H331-E448 IonicContact CE1-OE2 2.59Å; H331-E448 IonicContact CG-OE1 3.14Å; H331-E448 IonicContact CG-OE2 3.06Å; H331-E448 VanDerWaalsContact ND1-CD 3.27Å; H331-E448 IonicContact ND1-OE1 3.55Å; H331-E448 PolarHBondContact ND1-OE1 3.41Å; H331-E448 IonicContact ND1-OE2 3.45Å; H331-E448 PolarHBondContact ND1-OE2 3.36Å; V332-E448 HydrophobicContact CG2-CB 4.44Å; V332-E448 HydrophobicContact CG2-CG 4.05Å; T393-E448 HydrophobicContact CG2-CB 4.15Å; H396-E448 IonicContact CD2-OE2 2.88Å; H396-E448 IonicContact NE2-OE2 3.3Å; H396-E448 PolarHBondContact NE2-OE2 3.3Å; Y444-E448 PolarHBondContact O-N 2.9Å; Y444-E448 VanDerWaalsContact O-N 3.13Å; T445-E448 PolarHBondContact O-N 3.18Å; D446-E448 PolarHBondContact O-N 3.31Å; D446-E448 VanDerWaalsContact C-N 3.33Å; E448-N452 WeakPolarHBondContact O-CB 3.35Å; E448-N452 VanDerWaalsContact O-CG 3.29Å; E448-N452 PolarHBondContact O-N 2.71Å; E448-N452 PolarHBondContact O-ND2 3.17Å; E448-N452 VanDerWaalsContact O-ND2 3.17Å
449R91.5Very high80.4Confident162 Ų16274 Ų7461%0.61140%0.403SS*.Hα-helixtrans-61.7-44175.6-71.6171-178161-1.4112.3T445 D446 N452 G453T445-R449 WeakPolarHBondContact O-CG 3.1Å; T445-R449 PolarHBondContact O-N 2.9Å; D446-R449 PolarHBondContact O-N 3.09Å; D446-R449 IonicContact OD1-CZ 2.71Å; D446-R449 IonicContact OD1-NH1 3.14Å; D446-R449 PolarHBondContact OD1-NH1 3.5Å; R449-N452 PolarHBondContact O-N 2.95Å; R449-G453 PolarHBondContact O-N 2.99Å
450Q88.1Confident78.1Confident101 Ų10174.1 Ų74.147%0.47241%0.414SS..Hα-helixtrans-63.8-46.6179.8-73.8173.630.600111.6D446 F447 N452 G453 Q454D446-Q450 WeakPolarHBondContact O-CB 3.27Å; D446-Q450 VanDerWaalsContact O-CG 3.24Å; D446-Q450 WeakPolarHBondContact O-CG 3.37Å; D446-Q450 PolarHBondContact O-N 3.26Å; F447-Q450 PolarHBondContact O-N 3.2Å; Q450-N452 VanDerWaalsContact C-N 3.31Å; Q450-N452 PolarHBondContact O-N 3.04Å; Q450-G453 PolarHBondContact O-N 3.42Å; Q450-Q454 WeakPolarHBondContact O-CB 3.18Å; Q450-Q454 PolarHBondContact O-N 3.4Å; Q450-Q454 WeakPolarHBondContact O-CG 3.49Å
451A86.1Confident76.2Confident12 Ų1282.6 Ų82.610%0.09945%0.454CS..Hα-helixtrans-63.5-37.5178.700000112.2V332 F447V332-A451 HydrophobicContact CB-CB 4.33Å; V332-A451 HydrophobicContact CG1-CB 3.69Å; V332-A451 HydrophobicContact CG2-CB 3.8Å; F447-A451 WeakPolarHBondContact O-CB 3.37Å; F447-A451 PolarHBondContact O-N 3.07Å
452N84.6Confident74.1Confident98 Ų9890.2 Ų90.252%0.52449%0.494SS..Hα-helixtrans-75.9-27.9176.3-69.6-28.5000113.4N361 E448 R449 Q450N361-N452 PolarHBondContact ND2-OD1 3.26Å; E448-N452 WeakPolarHBondContact O-CB 3.35Å; E448-N452 VanDerWaalsContact O-CG 3.29Å; E448-N452 PolarHBondContact O-N 2.71Å; E448-N452 PolarHBondContact O-ND2 3.17Å; E448-N452 VanDerWaalsContact O-ND2 3.17Å; R449-N452 PolarHBondContact O-N 2.95Å; Q450-N452 VanDerWaalsContact C-N 3.31Å; Q450-N452 PolarHBondContact O-N 3.04Å
453G76.7Confident72.2Confident65 Ų6595 Ų9567%0.6752%0.515SS*.Hα-helixtrans-83.2-26.317900000114.4R449 Q450 A455R449-G453 PolarHBondContact O-N 2.99Å; Q450-G453 PolarHBondContact O-N 3.42Å; G453-A455 PolarHBondContact O-N 3.03Å; G453-A455 VanDerWaalsContact O-N 3.08Å
454Q62.1Low70.7Confident105 Ų10599.2 Ų99.249%0.49154%0.538SS..  trans-82.976.3177.4-70.9-179.4-0.300111.1P364 Q450 L456P364-Q454 HydrophobicContact CG-CB 4.4Å; Q450-Q454 WeakPolarHBondContact O-CB 3.18Å; Q450-Q454 PolarHBondContact O-N 3.4Å; Q450-Q454 WeakPolarHBondContact O-CG 3.49Å; Q454-L456 PolarHBondContact O-N 3.24Å
455A52.4Low69.1Low96 Ų96107.5 Ų107.579%0.79358%0.578SS**  trans-65.1103.8155.900000107.5G453G453-A455 PolarHBondContact O-N 3.03Å; G453-A455 VanDerWaalsContact O-N 3.08Å
456L51.2Low67.5Low84 Ų84117.5 Ų117.544%0.4463%0.631SS.*  trans-56.2144.2-179.7-80.194.6000110.7P364 Q454 N458P364-L456 HydrophobicContact CB-CD1 3.91Å; P364-L456 HydrophobicContact CG-CD1 4.26Å; Q454-L456 PolarHBondContact O-N 3.24Å; L456-N458 PolarHBondContact O-N 2.91Å
457P47.4Very low66.2Low100 Ų100120.6 Ų120.665%0.64965%0.647SS**  trans-55.3133.8164.624.3-30.9000108.5L459P457-L459 PolarHBondContact O-N 3.09Å
458N50.5Low65Low173 Ų173125.1 Ų125.193%0.92567%0.673SS**  trans-65.885.1173.9-131.7-3.9000107.5L456L456-N458 PolarHBondContact O-N 2.91Å
459L50.1Low63.6Low130 Ų130130.6 Ų130.668%0.68170%0.704SS**PPolyproline II helixtrans-68.4124.9175.6-71.5168.3000107.2P457 Q461P457-L459 PolarHBondContact O-N 3.09Å; L459-Q461 PolarHBondContact O-N 3.48Å
460P49.9Very low61.9Low121 Ų121128.7 Ų128.779%0.78671%0.709SS**PPolyproline II helixtrans-59129.1176.423.1-30.7000109.1
461Q55Low60.3Low183 Ų183130.4 Ų130.486%0.85572%0.724SS**PPolyproline II helixtrans-63.4144.7168.9-76-177-21.100108.8L459 E463L459-Q461 PolarHBondContact O-N 3.48Å; Q461-E463 PolarHBondContact O-N 3.42Å
462L54Low58.6Low169 Ų169138.3 Ų138.389%0.88577%0.766SS**  trans-58.5109170.2-101.2141.7000108.8I464L462-I464 PolarHBondContact O-N 3.45Å
463E57.3Low56.7Low181 Ų181141.2 Ų141.285%0.84678%0.783SS**  trans-70.3108.7165.2-70-175.2173.600107.7Q461 M465Q461-E463 PolarHBondContact O-N 3.42Å; E463-M465 PolarHBondContact O-N 2.99Å
464I63.1Low55.2Low157 Ų157147.1 Ų147.181%0.80579%0.792SS**  trans-77.7110.9166.8-55.3175.4000105.5L462L462-I464 PolarHBondContact O-N 3.45Å
465M62.6Low54.6Low173 Ų173150.6 Ų150.685%0.85282%0.817SS**  trans-69.5128.2168.6-65.8178.464.900108.4E463E463-M465 PolarHBondContact O-N 2.99Å
466D61.8Low54.8Low240 Ų240155.5 Ų155.5100%1.28382%0.819SS**  trans-53.60174.9-77.3-33.9000113.7

Retrieved 466 of 466 residues in 955.4 ms (Link to these results)

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