A0A077YVK7_TRITR Loading...

ATPase ASNA1 homolog

ATPase required for the post-translational delivery of tail-anchored (TA) proteins to the endoplasmic reticulum. Recognizes and selectively binds the transmembrane domain of TA proteins in the cytosol. This complex then targets to the endoplasmic reticulum by membrane-bound receptors, where the tail-anchored protein is released for insertion. This process is regulated by ATP binding and hydrolysis. ATP binding drives the homodimer towards the closed dimer state, facilitating recognition of newly synthesized TA membrane proteins. ATP hydrolysis is required for insertion. Subsequently, the homodimer reverts towards the open dimer state, lowering its affinity for the membrane-bound receptor, and returning it to the cytosol to initiate a new round of targeting.

AlphaFold DB , UniProt , Accession A0A077YVK7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 342 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
1M79.9Confident92.1Very high124 Ų12457.3 Ų57.361%0.61130%0.299SS*.  0-176.60-60.8177.6130.300110.5E309 F311 H312M1-E309 PolarHBondContact N-O 3.47Å; M1-F311 WeakPolarHBondContact CB-O 3.35Å; M1-F311 PolarHBondContact N-O 3.01Å; M1-H312 WeakPolarHBondContact CB-ND1 3.48Å; M1-H312 VanDerWaalsContact SD-CD2 3.52Å; M1-H312 PolarHBondContact SD-NE2 3.1Å; M1-H312 VanDerWaalsContact SD-NE2 3.43Å
2D87.9Confident92.2Very high117 Ų11764.8 Ų64.863%0.62633%0.328SS*.  trans-57.1134.5174.8-68.2-31.5000110.8T4 H312D2-T4 PolarHBondContact O-N 3.46Å; D2-H312 PolarHBondContact O-ND1 3.43Å
3P91.4Very high92.3Very high59 Ų5964.6 Ų64.638%0.38334%0.336SS..SBendtrans-80.948.2-17434.5-37.2000112.5I313 P339P3-I313 VanDerWaalsContact CA-O 3.27Å; P3-I313 WeakPolarHBondContact CA-O 3.3Å; P3-I313 WeakPolarHBondContact CB-O 3.1Å; P3-P339 HydrophobicContact CG-CG 4.07Å
4T95Very high92.5Very high13 Ų1360 Ų608%0.0831%0.312CS..SBendtrans-141.7161.3-178.769.90000110.8D2 N6 S337 P339D2-T4 PolarHBondContact O-N 3.46Å; T4-N6 VanDerWaalsContact C-N 3.33Å; T4-N6 PolarHBondContact OG1-N 2.89Å; T4-N6 PolarHBondContact OG1-ND2 3.17Å; T4-S337 WeakPolarHBondContact CG2-O 3.32Å; T4-P339 HydrophobicContact CG2-CG 3.77Å
5L94.9Very high92.4Very high0 Ų060.9 Ų60.90%031%0.314CS..SBendtrans-90.513.9170.5-65-166.1000113.3S7 L8 I9 L34 N270 L272 V314 L336L5-S7 VanDerWaalsContact C-N 3.28Å; L5-S7 PolarHBondContact O-N 2.8Å; L5-L8 WeakPolarHBondContact O-CB 3.5Å; L5-L8 PolarHBondContact O-N 2.78Å; L5-I9 HydrophobicContact CB-CD1 4.05Å; L5-I9 HydrophobicContact CB-CG1 4.41Å; L5-I9 WeakPolarHBondContact O-CG1 3.32Å; L5-I9 PolarHBondContact O-N 2.93Å; L5-L34 HydrophobicContact CD1-CD1 3.99Å; L5-N270 HydrophobicContact CD2-CB 3.74Å; L5-N270 WeakPolarHBondContact CD2-OD1 3.38Å; L5-L272 HydrophobicContact CD1-CD1 4.39Å; L5-L272 HydrophobicContact CD1-CD2 3.94Å; L5-L272 HydrophobicContact CD2-CD2 4Å; L5-L272 HydrophobicContact CG-CD2 4Å; L5-V314 HydrophobicContact CD2-CG2 3.81Å; L5-V314 HydrophobicContact CG-CG2 3.99Å; L5-L336 HydrophobicContact CD1-CB 4.39Å; L5-L336 HydrophobicContact CD1-CD1 4.47Å; L5-L336 HydrophobicContact CD1-CD2 4.1Å; L5-L336 PolarHBondContact N-O 3.19Å
6N94.7Very high92.4Very high51 Ų5158.8 Ų58.827%0.27330%0.301SS..Hα-helixtrans-59.5-39.8-175.6-70.6-29.5000112.2T4 L8 I9 E10 S337T4-N6 VanDerWaalsContact C-N 3.33Å; T4-N6 PolarHBondContact OG1-N 2.89Å; T4-N6 PolarHBondContact OG1-ND2 3.17Å; N6-L8 PolarHBondContact O-N 2.67Å; N6-I9 PolarHBondContact O-N 3.48Å; N6-E10 WeakPolarHBondContact O-CB 3.46Å; N6-E10 VanDerWaalsContact O-CG 3.31Å; N6-E10 WeakPolarHBondContact O-CG 3.46Å; N6-E10 PolarHBondContact O-N 2.99Å; N6-S337 PolarHBondContact ND2-O 3.39Å; N6-S337 VanDerWaalsContact OD1-CA 3.28Å; N6-S337 WeakPolarHBondContact OD1-CA 3.49Å; N6-S337 WeakPolarHBondContact OD1-CB 3.42Å; N6-S337 PolarHBondContact OD1-O 3.37Å
7S92.4Very high92.5Very high54 Ų5455.3 Ų55.338%0.37828%0.283SS..Hα-helixtrans-57-36.8175.9600000112.5L5 R11 H312L5-S7 VanDerWaalsContact C-N 3.28Å; L5-S7 PolarHBondContact O-N 2.8Å; S7-R11 VanDerWaalsContact O-CB 3.31Å; S7-R11 WeakPolarHBondContact O-CB 3.41Å; S7-R11 PolarHBondContact O-N 2.87Å; S7-H312 PolarHBondContact OG-CE1 3.15Å; S7-H312 PolarHBondContact OG-NE2 2.88Å
8L94.3Very high92.5Very high2 Ų252.2 Ų52.21%0.0127%0.267CS..Hα-helixtrans-77.5-44.2176.6-179.8157.5000111.7L5 N6 E10 R11 L14 I17 L34 T239 V241L5-L8 WeakPolarHBondContact O-CB 3.5Å; L5-L8 PolarHBondContact O-N 2.78Å; N6-L8 PolarHBondContact O-N 2.67Å; L8-E10 VanDerWaalsContact C-N 3.33Å; L8-E10 PolarHBondContact O-N 3.19Å; L8-R11 PolarHBondContact O-N 3.16Å; L8-L14 HydrophobicContact CD2-CD1 4.46Å; L8-L14 HydrophobicContact CG-CD1 3.89Å; L8-I17 HydrophobicContact CD2-CD1 3.94Å; L8-L34 HydrophobicContact CD2-CD1 3.74Å; L8-L34 HydrophobicContact CD2-CD2 4.32Å; L8-T239 HydrophobicContact CD1-CG2 3.71Å; L8-T239 HydrophobicContact CG-CG2 4.35Å; L8-V241 HydrophobicContact CD1-CG2 3.55Å
9I94.9Very high92.7Very high8 Ų849.5 Ų49.54%0.04125%0.253CS..Hα-helixtrans-65.3-36.1-177.8-66.7161.3000111.7L5 N6 L34 Q37 T41L5-I9 HydrophobicContact CB-CD1 4.05Å; L5-I9 HydrophobicContact CB-CG1 4.41Å; L5-I9 WeakPolarHBondContact O-CG1 3.32Å; L5-I9 PolarHBondContact O-N 2.93Å; N6-I9 PolarHBondContact O-N 3.48Å; I9-L34 HydrophobicContact CG1-CD1 4.17Å; I9-Q37 HydrophobicContact CD1-CB 3.79Å; I9-Q37 HydrophobicContact CD1-CG 4.25Å; I9-Q37 HydrophobicContact CG1-CB 4.25Å; I9-T41 HydrophobicContact CG2-CG2 3.92Å; I9-T41 PolarHBondContact O-OG1 2.88Å
10E93.7Very high92.6Very high138 Ų13847.1 Ų47.165%0.64524%0.241SC*.Hα-helixtrans-80.6-20.8179.8-68.3176.8179.900113.1N6 L8 K12N6-E10 WeakPolarHBondContact O-CB 3.46Å; N6-E10 VanDerWaalsContact O-CG 3.31Å; N6-E10 WeakPolarHBondContact O-CG 3.46Å; N6-E10 PolarHBondContact O-N 2.99Å; L8-E10 VanDerWaalsContact C-N 3.33Å; L8-E10 PolarHBondContact O-N 3.19Å; E10-K12 PolarHBondContact O-N 3.47Å
11R93.7Very high92.5Very high64 Ų6444.8 Ų44.824%0.24223%0.229CC..  trans-74.490-176.9-173.9167.670.5166.33.7111.4S7 L8 S13 L14 R42 P235 D267S7-R11 VanDerWaalsContact O-CB 3.31Å; S7-R11 WeakPolarHBondContact O-CB 3.41Å; S7-R11 PolarHBondContact O-N 2.87Å; L8-R11 PolarHBondContact O-N 3.16Å; R11-S13 WeakPolarHBondContact CG-OG 3.13Å; R11-S13 PolarHBondContact O-N 3.15Å; R11-L14 HydrophobicContact CB-CD1 4.26Å; R11-L14 HydrophobicContact CB-CG 4.47Å; R11-L14 HydrophobicContact CG-CD1 4.41Å; R11-L14 HydrophobicContact CG-CG 4.14Å; R11-L14 VanDerWaalsContact NE-CD1 3.32Å; R11-L14 PolarHBondContact O-N 3.26Å; R11-R42 PolarHBondContact O-NH2 2.93Å; R11-P235 PolarHBondContact NH1-O 3.24Å; R11-P235 PolarHBondContact NH2-O 3.05Å; R11-D267 IonicContact NH2-OD2 3.14Å
12K93.7Very high92.9Very high148 Ų14842.3 Ų42.364%0.64322%0.215SC*.THydrogen-bonded Turntrans-62.9-18.7179.9-65.5-165.4176.4-166.80115.7E10 L14 R42E10-K12 PolarHBondContact O-N 3.47Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.33Å; K12-R42 VanDerWaalsContact CA-CZ 3.45Å; K12-R42 PolarHBondContact O-NH1 3.26Å; K12-R42 PolarHBondContact O-NH2 3.36Å
13S94.1Very high92.7Very high62 Ų6238.8 Ų38.843%0.43421%0.206SC..THydrogen-bonded Turntrans-73.2-18.2179.462.60000113.8R11 Q15 A236R11-S13 WeakPolarHBondContact CG-OG 3.13Å; R11-S13 PolarHBondContact O-N 3.15Å; S13-Q15 PolarHBondContact O-N 3.39Å; S13-A236 CarbonylContact C-O 3.58Å; S13-A236 VanDerWaalsContact CB-O 3.24Å; S13-A236 WeakPolarHBondContact CB-O 3.47Å; S13-A236 VanDerWaalsContact O-O 3.09Å; S13-A236 PolarHBondContact OG-O 2.85Å
14L94.4Very high92.5Very high0 Ų039 Ų390%022%0.22CC..  trans-66.8130.2178.1-77.1173.1000110.8L8 R11 K12 I17 R42 A236 T239L8-L14 HydrophobicContact CD2-CD1 4.46Å; L8-L14 HydrophobicContact CG-CD1 3.89Å; R11-L14 HydrophobicContact CB-CD1 4.26Å; R11-L14 HydrophobicContact CB-CG 4.47Å; R11-L14 HydrophobicContact CG-CD1 4.41Å; R11-L14 HydrophobicContact CG-CG 4.14Å; R11-L14 VanDerWaalsContact NE-CD1 3.32Å; R11-L14 PolarHBondContact O-N 3.26Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.33Å; L14-I17 HydrophobicContact CD1-CD1 4.32Å; L14-I17 HydrophobicContact CD1-CG1 4.31Å; L14-R42 PolarHBondContact O-NH1 3.4Å; L14-R42 PolarHBondContact O-NH2 3.32Å; L14-A236 PolarHBondContact N-O 2.86Å; L14-T239 HydrophobicContact CD1-CG2 3.91Å; L14-T239 HydrophobicContact CD2-CG2 3.91Å
15Q91.8Very high92.5Very high73 Ų7338.5 Ų38.534%0.34122%0.216SC..  trans-112.8-30.2174.7-58.6-171.6-58.100110.8S13 V159 K237S13-Q15 PolarHBondContact O-N 3.39Å; Q15-V159 PolarHBondContact O-N 3.4Å; Q15-K237 PolarHBondContact N-O 2.76Å
16W91.2Very high92.4Very high27 Ų2739.5 Ų39.510%0.10223%0.226CC..EExtended strand (participates in β ladder)trans-129.1122.4-174.3-49.4105.5000110.9F18 L148 I151 V159 F161 F232 K237 T238 T239W16-F18 HydrophobicContact CB-CE2 4.18Å; W16-L148 HydrophobicContact CE3-CD2 4.46Å; W16-L148 HydrophobicContact CH2-CD2 3.55Å; W16-L148 HydrophobicContact CZ2-CD2 4.26Å; W16-L148 HydrophobicContact CZ3-CD2 3.67Å; W16-I151 HydrophobicContact CH2-CG2 3.78Å; W16-I151 HydrophobicContact CZ3-CD1 4.33Å; W16-I151 HydrophobicContact CZ3-CG2 3.98Å; W16-V159 HydrophobicContact CE3-CB 3.71Å; W16-V159 HydrophobicContact CE3-CG1 4.17Å; W16-V159 HydrophobicContact CE3-CG2 4.13Å; W16-V159 HydrophobicContact CZ3-CB 3.78Å; W16-V159 HydrophobicContact CZ3-CG1 4.04Å; W16-V159 HydrophobicContact CZ3-CG2 3.79Å; W16-F161 AromaticContact CE3-CE2 3.6Å; W16-F161 HydrophobicContact CE3-CE2 3.6Å; W16-F161 HydrophobicContact CE3-CZ 4.4Å; W16-F161 AromaticContact CZ3-CE2 3.83Å; W16-F161 HydrophobicContact CZ3-CE2 3.83Å; W16-F161 HydrophobicContact CZ3-CZ 4.18Å; W16-F232 HydrophobicContact CB-CE1 4.4Å; W16-F232 HydrophobicContact CD2-CE1 4.13Å; W16-F232 HydrophobicContact CG-CD1 4.36Å; W16-F232 AromaticContact CG-CE1 3.96Å; W16-F232 HydrophobicContact CG-CE1 3.96Å; W16-K237 PolarHBondContact N-O 2.99Å; W16-T238 HydrophobicContact CB-CG2 4.01Å; W16-T238 WeakPolarHBondContact CB-OG1 3.38Å; W16-T238 VanDerWaalsContact CD1-OG1 3.31Å; W16-T238 VanDerWaalsContact O-CA 3.26Å; W16-T238 WeakPolarHBondContact O-CA 3.26Å; W16-T239 PolarHBondContact O-N 2.98Å; W16-T239 VanDerWaalsContact O-N 3.11Å
17I94.7Very high92.4Very high0 Ų037.6 Ų37.60%022%0.216CC..EExtended strand (participates in β ladder)trans-124.7117176.7-59.1167.6000108L8 L14 V19 L34 L38 V158 V159 I160 F161 T239 V241L8-I17 HydrophobicContact CD2-CD1 3.94Å; L14-I17 HydrophobicContact CD1-CD1 4.32Å; L14-I17 HydrophobicContact CD1-CG1 4.31Å; I17-V19 HydrophobicContact CG2-CG2 4.45Å; I17-L34 HydrophobicContact CG2-CD2 3.81Å; I17-L38 HydrophobicContact CD1-CD1 3.53Å; I17-L38 HydrophobicContact CD1-CD2 4.48Å; I17-V158 HydrophobicContact CD1-CG2 3.62Å; I17-V158 HydrophobicContact CG1-CG2 4.04Å; I17-V159 PolarHBondContact N-O 3.23Å; I17-I160 HydrophobicContact CB-CG1 4.3Å; I17-I160 HydrophobicContact CD1-CG1 4.49Å; I17-I160 CarbonylContact O-C 3.57Å; I17-I160 VanDerWaalsContact O-CA 3.25Å; I17-I160 WeakPolarHBondContact O-CA 3.41Å; I17-F161 PolarHBondContact O-N 2.95Å; I17-T239 WeakPolarHBondContact CA-O 3.38Å; I17-T239 HydrophobicContact CG1-CG2 4.17Å; I17-T239 HydrophobicContact CG2-CG2 4.32Å; I17-V241 HydrophobicContact CG2-CG2 4.05Å
18F93Very high92.5Very high0 Ų035.6 Ų35.60%020%0.201CC..EExtended strand (participates in β ladder)trans-95.9134.7174.3-67.3-89.6000109.3W16 F144 F161 T163 L173 F232 T238 T239 F240 V241 M266W16-F18 HydrophobicContact CB-CE2 4.18Å; F18-F144 HydrophobicContact CE1-CE2 4.13Å; F18-F144 HydrophobicContact CE1-CZ 4.08Å; F18-F144 HydrophobicContact CZ-CE2 4.46Å; F18-F144 HydrophobicContact CZ-CZ 4.01Å; F18-F161 HydrophobicContact CD1-CB 3.57Å; F18-F161 AromaticContact CD1-CD2 3.98Å; F18-F161 HydrophobicContact CD1-CD2 3.98Å; F18-F161 AromaticContact CD1-CG 4Å; F18-F161 HydrophobicContact CD1-CG 4Å; F18-F161 HydrophobicContact CE1-CB 3.82Å; F18-F161 AromaticContact CE1-CD2 3.47Å; F18-F161 HydrophobicContact CE1-CD2 3.47Å; F18-F161 VanDerWaalsContact CE1-CD2 3.47Å; F18-F161 HydrophobicContact CE1-CE2 4.13Å; F18-F161 AromaticContact CE1-CG 3.7Å; F18-F161 HydrophobicContact CE1-CG 3.7Å; F18-F161 HydrophobicContact CE2-CD2 4.43Å; F18-F161 HydrophobicContact CG-CB 4.38Å; F18-F161 AromaticContact CZ-CD2 3.72Å; F18-F161 HydrophobicContact CZ-CD2 3.72Å; F18-F161 HydrophobicContact CZ-CE2 4.07Å; F18-F161 HydrophobicContact CZ-CG 4.41Å; F18-T163 HydrophobicContact CD1-CG2 3.99Å; F18-L173 HydrophobicContact CD1-CD2 4.26Å; F18-L173 HydrophobicContact CE1-CD2 3.86Å; F18-L173 HydrophobicContact CE2-CD2 4.29Å; F18-L173 HydrophobicContact CZ-CD2 3.88Å; F18-F232 HydrophobicContact CE2-CD1 4.25Å; F18-F232 HydrophobicContact CE2-CE1 4.12Å; F18-F232 HydrophobicContact CE2-CE2 4.41Å; F18-F232 HydrophobicContact CE2-CZ 4.23Å; F18-F232 HydrophobicContact CZ-CD1 4.49Å; F18-F232 HydrophobicContact CZ-CD2 4.38Å; F18-F232 AromaticContact CZ-CE1 4Å; F18-F232 HydrophobicContact CZ-CE1 4Å; F18-F232 AromaticContact CZ-CE2 3.84Å; F18-F232 HydrophobicContact CZ-CE2 3.84Å; F18-F232 AromaticContact CZ-CZ 3.68Å; F18-F232 HydrophobicContact CZ-CZ 3.68Å; F18-T238 HydrophobicContact CD2-CG2 3.9Å; F18-T238 HydrophobicContact CE2-CG2 3.74Å; F18-T239 PolarHBondContact N-O 2.81Å; F18-F240 HydrophobicContact CB-CB 4.47Å; F18-F240 HydrophobicContact CB-CD2 3.36Å; F18-F240 HydrophobicContact CB-CE2 3.73Å; F18-F240 HydrophobicContact CB-CG 4.04Å; F18-F240 HydrophobicContact CG-CD2 4.24Å; F18-F240 CarbonylContact O-C 3.58Å; F18-F240 WeakPolarHBondContact O-CA 3.25Å; F18-V241 PolarHBondContact O-N 3.34Å; F18-M266 HydrophobicContact CD2-CE 3.9Å; F18-M266 HydrophobicContact CE2-CE 4.13Å
19V94.7Very high92.6Very high1 Ų137.2 Ų37.21%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-117.9125.1172.7-174.10000108I17 S31 L34 I160 F161 T163 V241 V243I17-V19 HydrophobicContact CG2-CG2 4.45Å; V19-S31 VanDerWaalsContact CB-OG 3.25Å; V19-S31 WeakPolarHBondContact CB-OG 3.2Å; V19-S31 VanDerWaalsContact CG1-OG 3.26Å; V19-S31 WeakPolarHBondContact CG1-OG 3.23Å; V19-L34 HydrophobicContact CG2-CD2 4.18Å; V19-I160 HydrophobicContact CG2-CG2 4Å; V19-F161 PolarHBondContact N-O 2.95Å; V19-T163 WeakPolarHBondContact O-CB 3.46Å; V19-T163 WeakPolarHBondContact O-CG2 3.45Å; V19-T163 PolarHBondContact O-N 3.27Å; V19-T163 VanDerWaalsContact O-N 3.13Å; V19-T163 PolarHBondContact O-OG1 3.41Å; V19-V241 WeakPolarHBondContact CA-O 3.49Å; V19-V241 HydrophobicContact CG2-CB 4.35Å; V19-V243 HydrophobicContact CG1-CG2 3.55Å
20G92.2Very high92.7Very high0 Ų036.8 Ų36.80%021%0.209CC..EExtended strand (participates in β ladder)trans-156.2163-174.600000114T163 V241 C242 V243G20-T163 VanDerWaalsContact CA-OG1 3.3Å; G20-T163 WeakPolarHBondContact CA-OG1 3.25Å; G20-V241 PolarHBondContact N-O 3.2Å; G20-V241 VanDerWaalsContact N-O 3.1Å; G20-C242 CarbonylContact O-C 3.55Å; G20-C242 WeakPolarHBondContact O-CA 3.47Å; G20-V243 PolarHBondContact O-N 2.82Å
21G90.8Very high92.8Very high0 Ų030.2 Ų30.20%018%0.178CC..EExtended strand (participates in β ladder)trans167.6-175.1-172.800000111.3K27 T166 V243G21-K27 WeakPolarHBondContact O-CD 3.46Å; G21-T166 WeakPolarHBondContact O-CG2 3.35Å; G21-T166 PolarHBondContact O-N 3.42Å; G21-V243 WeakPolarHBondContact CA-O 3.48Å
22K86.4Confident93Very high72 Ų7227.2 Ų27.231%0.31317%0.167SC..SBendtrans-65.9159.2177.1-168.5176.7176.9-178.60111.2V25 E253K22-V25 HydrophobicContact CB-CG1 4.09Å; K22-V25 VanDerWaalsContact O-CG2 3.25Å; K22-V25 WeakPolarHBondContact O-CG2 3.07Å; K22-E253 HydrophobicContact CB-CG 4.24Å; K22-E253 HydrophobicContact CD-CB 4.38Å; K22-E253 HydrophobicContact CG-CG 4.41Å
23G84.2Confident93.2Very high43 Ų4320.1 Ų20.144%0.44314%0.136SC..THydrogen-bonded Turntrans-60.5141.7168.300000112
24G88.3Confident93.4Very high64 Ų6417.2 Ų17.266%0.6612%0.116SC*.THydrogen-bonded Turntrans852.7174.400000117.2Q275G24-Q275 PolarHBondContact O-NE2 2.97Å; G24-Q275 VanDerWaalsContact O-NE2 3.11Å
25V93.8Very high93.5Very high2 Ų217.2 Ų17.21%0.01212%0.116CC..SBendtrans-88.9-1.6-177.8-54.80000114.5K22 K27 V243 I245 N274K22-V25 HydrophobicContact CB-CG1 4.09Å; K22-V25 VanDerWaalsContact O-CG2 3.25Å; K22-V25 WeakPolarHBondContact O-CG2 3.07Å; V25-K27 HydrophobicContact CG2-CD 4.34Å; V25-K27 HydrophobicContact CG2-CG 3.49Å; V25-K27 VanDerWaalsContact CG2-CG 3.49Å; V25-V243 HydrophobicContact CB-CG1 4.43Å; V25-V243 HydrophobicContact CG2-CB 4.04Å; V25-V243 HydrophobicContact CG2-CG1 3.81Å; V25-I245 HydrophobicContact CB-CG2 4.01Å; V25-I245 HydrophobicContact CG1-CG1 4.25Å; V25-I245 HydrophobicContact CG1-CG2 4.14Å; V25-N274 WeakPolarHBondContact O-CB 3.44Å; V25-N274 PolarHBondContact O-ND2 3.31Å
26G93.8Very high93.8Very high20 Ų2013.9 Ų13.921%0.20610%0.1CC..  trans83.533.4-176.700000114.8T29 C30G26-T29 PolarHBondContact O-N 2.83Å; G26-C30 PolarHBondContact O-N 3.34Å; G26-C30 VanDerWaalsContact O-N 3.09Å; G26-C30 PolarHBondContact O-SG 3.19Å
27K94.1Very high94.1Very high12 Ų1212.9 Ų12.95%0.05210%0.097CC..Hα-helixtrans-53.3-56.4178.3-52.7-170.6-51-59.70111.9G21 V25 T29 C30 S31 T163 V243G21-K27 WeakPolarHBondContact O-CD 3.46Å; V25-K27 HydrophobicContact CG2-CD 4.34Å; V25-K27 HydrophobicContact CG2-CG 3.49Å; V25-K27 VanDerWaalsContact CG2-CG 3.49Å; K27-T29 VanDerWaalsContact C-N 3.33Å; K27-T29 PolarHBondContact O-N 2.8Å; K27-C30 CarbonylContact O-C 3.6Å; K27-C30 WeakPolarHBondContact O-CA 3.38Å; K27-C30 WeakPolarHBondContact O-CB 3.4Å; K27-C30 PolarHBondContact O-N 2.99Å; K27-S31 PolarHBondContact O-N 3.19Å; K27-S31 PolarHBondContact O-OG 3.35Å; K27-T163 WeakPolarHBondContact CE-O 3.19Å; K27-V243 HydrophobicContact CG-CB 4.39Å
28T94.7Very high94.2Very high12 Ų1212.9 Ų12.97%0.07410%0.097CC..Hα-helixtrans-58.5-43-176.9-52.50000112.4C30 S31 C32 N55 V56 A59 D162T28-C30 VanDerWaalsContact C-N 3.34Å; T28-C30 PolarHBondContact O-N 2.99Å; T28-S31 WeakPolarHBondContact O-CB 3.14Å; T28-S31 PolarHBondContact O-N 3.21Å; T28-C32 WeakPolarHBondContact O-CB 3.44Å; T28-C32 PolarHBondContact O-N 3.42Å; T28-C32 PolarHBondContact O-SG 2.85Å; T28-N55 HydrophobicContact CG2-CB 3.69Å; T28-V56 HydrophobicContact CG2-CB 4.49Å; T28-V56 HydrophobicContact CG2-CG2 3.7Å; T28-A59 HydrophobicContact CG2-CB 4.42Å; T28-D162 WeakPolarHBondContact CA-OD2 3.48Å; T28-D162 VanDerWaalsContact CB-OD2 3.27Å; T28-D162 WeakPolarHBondContact CB-OD2 3.45Å; T28-D162 WeakPolarHBondContact CG2-OD2 3.16Å; T28-D162 PolarHBondContact OG1-OD2 3.38Å
29T96.1Very high94.4Very high35 Ų3513.9 Ų13.922%0.21510%0.103CC..Hα-helixtrans-58.9-45.9174.1-510000111.4G26 K27 C32 S33 V323 F332G26-T29 PolarHBondContact O-N 2.83Å; K27-T29 VanDerWaalsContact C-N 3.33Å; K27-T29 PolarHBondContact O-N 2.8Å; T29-C32 PolarHBondContact O-N 3.03Å; T29-S33 VanDerWaalsContact O-CB 3.29Å; T29-S33 WeakPolarHBondContact O-CB 3.49Å; T29-S33 PolarHBondContact O-N 3.36Å; T29-S33 PolarHBondContact O-OG 3.37Å; T29-V323 HydrophobicContact CG2-CB 3.74Å; T29-V323 HydrophobicContact CG2-CG1 3.84Å; T29-V323 HydrophobicContact CG2-CG2 4.11Å; T29-F332 HydrophobicContact CG2-CD1 3.87Å; T29-F332 HydrophobicContact CG2-CE1 3.92Å
30C96.8Very high94.4Very high0 Ų020.3 Ų20.30%013%0.131CC..Hα-helixtrans-64.3-40.9176.6-63.70000112.3G26 K27 T28 S33 L34 V243 L272G26-C30 PolarHBondContact O-N 3.34Å; G26-C30 VanDerWaalsContact O-N 3.09Å; G26-C30 PolarHBondContact O-SG 3.19Å; K27-C30 CarbonylContact O-C 3.6Å; K27-C30 WeakPolarHBondContact O-CA 3.38Å; K27-C30 WeakPolarHBondContact O-CB 3.4Å; K27-C30 PolarHBondContact O-N 2.99Å; T28-C30 VanDerWaalsContact C-N 3.34Å; T28-C30 PolarHBondContact O-N 2.99Å; C30-S33 PolarHBondContact O-N 3.26Å; C30-L34 VanDerWaalsContact O-CB 3.32Å; C30-L34 WeakPolarHBondContact O-CB 3.32Å; C30-L34 PolarHBondContact O-N 3.11Å; C30-V243 HydrophobicContact CB-CG1 4.49Å; C30-V243 HydrophobicContact CB-CG2 4.08Å; C30-L272 HydrophobicContact CB-CD1 3.67Å
31S96.8Very high94.6Very high0 Ų022.5 Ų22.50%014%0.144CC..Hα-helixtrans-60.3-50176-56.20000111.1V19 K27 T28 S33 L34 A35 D162V19-S31 VanDerWaalsContact CB-OG 3.25Å; V19-S31 WeakPolarHBondContact CB-OG 3.2Å; V19-S31 VanDerWaalsContact CG1-OG 3.26Å; V19-S31 WeakPolarHBondContact CG1-OG 3.23Å; K27-S31 PolarHBondContact O-N 3.19Å; K27-S31 PolarHBondContact O-OG 3.35Å; T28-S31 WeakPolarHBondContact O-CB 3.14Å; T28-S31 PolarHBondContact O-N 3.21Å; S31-S33 PolarHBondContact O-N 3.1Å; S31-L34 PolarHBondContact O-N 2.86Å; S31-A35 WeakPolarHBondContact O-CB 3.17Å; S31-A35 PolarHBondContact O-N 3.16Å; S31-D162 PolarHBondContact OG-OD1 2.87Å
32C97.4Very high94.8Very high0 Ų022.9 Ų22.90%015%0.146CC..Hα-helixtrans-62.9-41.5177.1-67.10000112T28 T29 A35 A36 F60 I329T28-C32 WeakPolarHBondContact O-CB 3.44Å; T28-C32 PolarHBondContact O-N 3.42Å; T28-C32 PolarHBondContact O-SG 2.85Å; T29-C32 PolarHBondContact O-N 3.03Å; C32-A35 WeakPolarHBondContact O-CB 3.5Å; C32-A35 PolarHBondContact O-N 2.98Å; C32-A36 WeakPolarHBondContact O-CB 3.46Å; C32-A36 PolarHBondContact O-N 3.48Å; C32-F60 HydrophobicContact CB-CE2 3.88Å; C32-F60 HydrophobicContact CB-CZ 3.74Å; C32-F60 WeakPolarHBondContact SG-CE2 3.4Å; C32-I329 HydrophobicContact CB-CD1 4.03Å; C32-I329 HydrophobicContact CB-CG2 4.13Å
33S97.7Very high95.2Very high0 Ų027.7 Ų27.70%017%0.169CC..Hα-helixtrans-67.3-38.9176.8-74.50000112.8T29 C30 S31 A35 A36 Q37 I329 F332 S333T29-S33 VanDerWaalsContact O-CB 3.29Å; T29-S33 WeakPolarHBondContact O-CB 3.49Å; T29-S33 PolarHBondContact O-N 3.36Å; T29-S33 PolarHBondContact O-OG 3.37Å; C30-S33 PolarHBondContact O-N 3.26Å; S31-S33 PolarHBondContact O-N 3.1Å; S33-A35 VanDerWaalsContact C-N 3.34Å; S33-A36 PolarHBondContact O-N 2.82Å; S33-Q37 PolarHBondContact O-N 3.43Å; S33-I329 PolarHBondContact OG-O 3.5Å; S33-F332 WeakPolarHBondContact OG-CD1 3.25Å; S33-S333 VanDerWaalsContact O-CB 3.26Å; S33-S333 WeakPolarHBondContact O-CB 3.27Å
34L97.9Very high95.7Very high1 Ų126.9 Ų26.91%0.00516%0.157CC..Hα-helixtrans-64.2-42173.2178.155.1000111L5 L8 I9 I17 V19 C30 S31 A36 Q37 L38 V241 L336L5-L34 HydrophobicContact CD1-CD1 3.99Å; L8-L34 HydrophobicContact CD2-CD1 3.74Å; L8-L34 HydrophobicContact CD2-CD2 4.32Å; I9-L34 HydrophobicContact CG1-CD1 4.17Å; I17-L34 HydrophobicContact CG2-CD2 3.81Å; V19-L34 HydrophobicContact CG2-CD2 4.18Å; C30-L34 VanDerWaalsContact O-CB 3.32Å; C30-L34 WeakPolarHBondContact O-CB 3.32Å; C30-L34 PolarHBondContact O-N 3.11Å; S31-L34 PolarHBondContact O-N 2.86Å; L34-A36 PolarHBondContact O-N 2.93Å; L34-Q37 PolarHBondContact O-N 3.43Å; L34-L38 HydrophobicContact CD1-CD1 4.04Å; L34-L38 HydrophobicContact CD1-CG 4.27Å; L34-L38 HydrophobicContact CG-CD1 3.96Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.71Å; L34-V241 HydrophobicContact CD2-CG2 4.24Å; L34-L336 HydrophobicContact CB-CD1 4.18Å
35A97.8Very high96.1Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-59.5-46.4174.800000111.8S31 C32 S33 Q37 L38 T39 V45 I47 L77 I160S31-A35 WeakPolarHBondContact O-CB 3.17Å; S31-A35 PolarHBondContact O-N 3.16Å; C32-A35 WeakPolarHBondContact O-CB 3.5Å; C32-A35 PolarHBondContact O-N 2.98Å; S33-A35 VanDerWaalsContact C-N 3.34Å; A35-Q37 VanDerWaalsContact C-N 3.32Å; A35-Q37 PolarHBondContact O-N 3.39Å; A35-L38 PolarHBondContact O-N 3.16Å; A35-T39 WeakPolarHBondContact O-CG2 3.4Å; A35-T39 PolarHBondContact O-N 2.95Å; A35-T39 VanDerWaalsContact O-N 3.15Å; A35-V45 HydrophobicContact CB-CG1 4.23Å; A35-I47 HydrophobicContact CB-CB 4.36Å; A35-I47 HydrophobicContact CB-CD1 4.42Å; A35-L77 HydrophobicContact CB-CD1 3.7Å; A35-L77 HydrophobicContact CB-CD2 4.4Å; A35-I160 HydrophobicContact CB-CD1 3.33Å
36A97.5Very high96.2Very high2 Ų223.7 Ų23.72%0.01713%0.125CC..Hα-helixtrans-58.2-40.5174.900000112.6C32 S33 L34 T39 F74 I329C32-A36 WeakPolarHBondContact O-CB 3.46Å; C32-A36 PolarHBondContact O-N 3.48Å; S33-A36 PolarHBondContact O-N 2.82Å; L34-A36 PolarHBondContact O-N 2.93Å; A36-T39 PolarHBondContact O-OG1 3.06Å; A36-F74 HydrophobicContact CB-CE1 3.93Å; A36-F74 HydrophobicContact CB-CZ 3.66Å; A36-I329 HydrophobicContact CB-CG2 4.05Å
37Q97.2Very high96.3Very high7 Ų722.8 Ų22.83%0.03312%0.115CC..Hα-helixtrans-68-41.3175.5-73.9-67.8-16.600112.9I9 S33 L34 A35 T39 K40 S333I9-Q37 HydrophobicContact CD1-CB 3.79Å; I9-Q37 HydrophobicContact CD1-CG 4.25Å; I9-Q37 HydrophobicContact CG1-CB 4.25Å; S33-Q37 PolarHBondContact O-N 3.43Å; L34-Q37 PolarHBondContact O-N 3.43Å; A35-Q37 VanDerWaalsContact C-N 3.32Å; A35-Q37 PolarHBondContact O-N 3.39Å; Q37-T39 PolarHBondContact O-N 3.05Å; Q37-K40 VanDerWaalsContact CD-NZ 3.34Å; Q37-K40 VanDerWaalsContact NE2-NZ 3.12Å; Q37-K40 WeakPolarHBondContact O-CB 3.39Å; Q37-K40 PolarHBondContact O-N 2.84Å; Q37-K40 VanDerWaalsContact O-N 3.15Å; Q37-S333 WeakPolarHBondContact CG-O 3.49Å; Q37-S333 PolarHBondContact NE2-O 3.49Å; Q37-S333 PolarHBondContact NE2-OG 3.2Å
38L97.5Very high96.2Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-63.6-28.6179.5-75.9162.3000112.8I17 L34 A35 K40 T41 R42 V45 V158 I160I17-L38 HydrophobicContact CD1-CD1 3.53Å; I17-L38 HydrophobicContact CD1-CD2 4.48Å; L34-L38 HydrophobicContact CD1-CD1 4.04Å; L34-L38 HydrophobicContact CD1-CG 4.27Å; L34-L38 HydrophobicContact CG-CD1 3.96Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.71Å; A35-L38 PolarHBondContact O-N 3.16Å; L38-K40 PolarHBondContact O-N 2.97Å; L38-T41 PolarHBondContact O-N 3.39Å; L38-T41 PolarHBondContact O-OG1 3.39Å; L38-R42 HydrophobicContact CB-CG 4.24Å; L38-R42 HydrophobicContact CD2-CG 4.07Å; L38-R42 VanDerWaalsContact O-CB 3.32Å; L38-R42 WeakPolarHBondContact O-CB 3.28Å; L38-R42 WeakPolarHBondContact O-CG 3.36Å; L38-R42 PolarHBondContact O-N 3.34Å; L38-V45 HydrophobicContact CB-CG1 4.37Å; L38-V45 HydrophobicContact CB-CG2 3.97Å; L38-V158 HydrophobicContact CB-CG1 4.46Å; L38-V158 HydrophobicContact CD1-CG1 4.31Å; L38-I160 HydrophobicContact CD1-CD1 3.63Å; L38-I160 HydrophobicContact CD1-CG1 4.05Å
39T96.8Very high95.9Very high20 Ų2021.6 Ų21.612%0.12311%0.109CC..THydrogen-bonded Turntrans-58-22.3175.6660000113.9A35 A36 Q37 V45 F74 N76 L77A35-T39 WeakPolarHBondContact O-CG2 3.4Å; A35-T39 PolarHBondContact O-N 2.95Å; A35-T39 VanDerWaalsContact O-N 3.15Å; A36-T39 PolarHBondContact O-OG1 3.06Å; Q37-T39 PolarHBondContact O-N 3.05Å; T39-V45 HydrophobicContact CG2-CB 4.36Å; T39-V45 HydrophobicContact CG2-CG2 4.18Å; T39-F74 HydrophobicContact CG2-CD1 3.88Å; T39-F74 HydrophobicContact CG2-CE1 4.3Å; T39-N76 WeakPolarHBondContact CB-OD1 3.47Å; T39-N76 PolarHBondContact O-ND2 3.25Å; T39-L77 HydrophobicContact CG2-CB 3.65Å; T39-L77 HydrophobicContact CG2-CD1 4.24Å; T39-L77 HydrophobicContact CG2-CD2 4.39Å; T39-L77 HydrophobicContact CG2-CG 4.29Å
40K95.4Very high95.1Very high136 Ų13620.7 Ų20.759%0.59110%0.103SC*.THydrogen-bonded Turntrans-78.2-26.7179.1-59.5176.4-174.4166.10112.6Q37 L38Q37-K40 VanDerWaalsContact CD-NZ 3.34Å; Q37-K40 VanDerWaalsContact NE2-NZ 3.12Å; Q37-K40 WeakPolarHBondContact O-CB 3.39Å; Q37-K40 PolarHBondContact O-N 2.84Å; Q37-K40 VanDerWaalsContact O-N 3.15Å; L38-K40 PolarHBondContact O-N 2.97Å
41T95.2Very high94.2Very high46 Ų4621.8 Ų21.828%0.28211%0.109SC..THydrogen-bonded Turntrans-114-16.9-173.359.70000113.6I9 L38I9-T41 HydrophobicContact CG2-CG2 3.92Å; I9-T41 PolarHBondContact O-OG1 2.88Å; L38-T41 PolarHBondContact O-N 3.39Å; L38-T41 PolarHBondContact O-OG1 3.39Å
42R95.5Very high93Very high8 Ų825.2 Ų25.23%0.0313%0.131CC..  trans-112.6151.5-175.8-55.2-40.6-15497.98.4112.3R11 K12 L14 L38 V45 N76 D157 V158R11-R42 PolarHBondContact O-NH2 2.93Å; K12-R42 VanDerWaalsContact CA-CZ 3.45Å; K12-R42 PolarHBondContact O-NH1 3.26Å; K12-R42 PolarHBondContact O-NH2 3.36Å; L14-R42 PolarHBondContact O-NH1 3.4Å; L14-R42 PolarHBondContact O-NH2 3.32Å; L38-R42 HydrophobicContact CB-CG 4.24Å; L38-R42 HydrophobicContact CD2-CG 4.07Å; L38-R42 VanDerWaalsContact O-CB 3.32Å; L38-R42 WeakPolarHBondContact O-CB 3.28Å; L38-R42 WeakPolarHBondContact O-CG 3.36Å; L38-R42 PolarHBondContact O-N 3.34Å; R42-V45 HydrophobicContact CB-CG2 3.85Å; R42-V45 HydrophobicContact CG-CG2 4.42Å; R42-N76 PolarHBondContact O-ND2 3.36Å; R42-D157 VanDerWaalsContact CB-OD2 3.29Å; R42-D157 WeakPolarHBondContact CB-OD2 3.3Å; R42-D157 VanDerWaalsContact CD-OD2 3.27Å; R42-D157 WeakPolarHBondContact CD-OD2 3.49Å; R42-D157 IonicContact CZ-OD2 2.75Å; R42-D157 IonicContact NE-OD2 2.55Å; R42-D157 IonicContact NH1-OD1 3.67Å; R42-D157 PolarHBondContact NH1-OD1 2.97Å; R42-D157 VanDerWaalsContact NH1-OD1 3.14Å; R42-D157 IonicContact NH1-OD2 2.73Å; R42-D157 PolarHBondContact NH1-OD2 2.87Å; R42-V158 HydrophobicContact CB-CG1 4.3Å; R42-V158 HydrophobicContact CG-CG1 3.85Å
43E94.5Very high92.1Very high174 Ų17427.8 Ų27.881%0.81315%0.153SC*.SBendtrans-75.4-38.7-179.7-67.9-174.4179.700112.3N76E43-N76 WeakPolarHBondContact O-CB 3.28Å; E43-N76 PolarHBondContact O-ND2 3.17Å
44S95Very high91.3Very high25 Ų2531.8 Ų31.818%0.17517%0.171CC..  trans-147.2128.6-179.959.60000110.7F156 D157 V158S44-F156 WeakPolarHBondContact OG-CA 3.41Å; S44-D157 WeakPolarHBondContact O-CB 3.35Å; S44-D157 PolarHBondContact O-N 3.43Å; S44-D157 VanDerWaalsContact O-N 3.15Å; S44-D157 PolarHBondContact OG-N 2.95Å; S44-V158 PolarHBondContact O-N 3.3Å
45V97.2Very high90.9Very high0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-122.8130.4-177.1-1780000108.9A35 L38 T39 R42 N76 L77 Y78 V158 I160A35-V45 HydrophobicContact CB-CG1 4.23Å; L38-V45 HydrophobicContact CB-CG1 4.37Å; L38-V45 HydrophobicContact CB-CG2 3.97Å; T39-V45 HydrophobicContact CG2-CB 4.36Å; T39-V45 HydrophobicContact CG2-CG2 4.18Å; R42-V45 HydrophobicContact CB-CG2 3.85Å; R42-V45 HydrophobicContact CG-CG2 4.42Å; V45-N76 PolarHBondContact N-O 2.84Å; V45-L77 HydrophobicContact CB-CD1 3.91Å; V45-L77 HydrophobicContact CG1-CD1 3.66Å; V45-L77 WeakPolarHBondContact O-CA 3.36Å; V45-Y78 PolarHBondContact O-N 3.15Å; V45-V158 HydrophobicContact CB-CG1 4.3Å; V45-V158 HydrophobicContact CG1-CG1 4.09Å; V45-V158 HydrophobicContact CG2-CG1 3.87Å; V45-I160 HydrophobicContact CG1-CD1 3.74Å
46L95.8Very high90.6Very high0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-115.9129.1172.5176.466000110.1V48 P68 Y78 M80 I151 F156 V158 V159 I160L46-V48 HydrophobicContact CD2-CG2 3.93Å; L46-V48 HydrophobicContact CG-CG2 3.95Å; L46-P68 HydrophobicContact CD1-CB 3.97Å; L46-P68 HydrophobicContact CD1-CG 4.09Å; L46-Y78 CarbonylContact C-O 3.54Å; L46-Y78 WeakPolarHBondContact CA-O 2.87Å; L46-M80 HydrophobicContact CD1-CG 4.16Å; L46-M80 HydrophobicContact CD1-SD 4.22Å; L46-M80 HydrophobicContact CD2-SD 3.91Å; L46-M80 HydrophobicContact CG-SD 4.47Å; L46-I151 HydrophobicContact CD2-CD1 3.67Å; L46-I151 HydrophobicContact CD2-CG1 3.58Å; L46-F156 HydrophobicContact CB-CB 4.32Å; L46-F156 HydrophobicContact CB-CD1 3.87Å; L46-F156 HydrophobicContact CB-CD2 3.88Å; L46-F156 HydrophobicContact CB-CE1 4.15Å; L46-F156 HydrophobicContact CB-CE2 4.13Å; L46-F156 HydrophobicContact CB-CG 3.74Å; L46-F156 HydrophobicContact CB-CZ 4.27Å; L46-F156 HydrophobicContact CD1-CE2 4.35Å; L46-F156 HydrophobicContact CD1-CZ 4.34Å; L46-F156 HydrophobicContact CD2-CD2 3.7Å; L46-F156 HydrophobicContact CD2-CE2 3.74Å; L46-F156 HydrophobicContact CD2-CG 4.4Å; L46-F156 HydrophobicContact CD2-CZ 4.48Å; L46-F156 HydrophobicContact CG-CD2 4.35Å; L46-F156 HydrophobicContact CG-CE2 4.3Å; L46-V158 PolarHBondContact N-O 2.89Å; L46-V159 HydrophobicContact CB-CG2 4.35Å; L46-V159 HydrophobicContact CD2-CG1 4.39Å; L46-V159 HydrophobicContact CD2-CG2 4.41Å; L46-V159 CarbonylContact O-C 3.59Å; L46-V159 WeakPolarHBondContact O-CA 3.48Å; L46-I160 PolarHBondContact O-N 3.2Å
47I95.3Very high90.4Very high0 Ų034.8 Ų34.80%019%0.188CC..EExtended strand (participates in β ladder)trans-103.4129.7164.9-172.1170.5000110A35 V56 Y78 A79 M80 I160A35-I47 HydrophobicContact CB-CB 4.36Å; A35-I47 HydrophobicContact CB-CD1 4.42Å; I47-V56 HydrophobicContact CD1-CG2 4.32Å; I47-V56 HydrophobicContact CG2-CG1 4.31Å; I47-Y78 PolarHBondContact N-O 3.28Å; I47-A79 HydrophobicContact CG2-CB 3.53Å; I47-A79 WeakPolarHBondContact O-CA 3.45Å; I47-M80 PolarHBondContact O-N 3.17Å; I47-I160 CarbonylContact C-O 3.5Å; I47-I160 WeakPolarHBondContact CA-O 3.44Å; I47-I160 HydrophobicContact CG1-CB 4.43Å; I47-I160 HydrophobicContact CG1-CG2 4.46Å
48V91.6Very high90.3Very high0 Ų038.6 Ų38.60%021%0.208CC..EExtended strand (participates in β ladder)trans-116.2119.7178.7-1750000108.4L46 M80 I82 V147 I151 V159 I160 F161 D162L46-V48 HydrophobicContact CD2-CG2 3.93Å; L46-V48 HydrophobicContact CG-CG2 3.95Å; V48-M80 WeakPolarHBondContact CA-O 3.4Å; V48-M80 HydrophobicContact CB-CG 4.14Å; V48-M80 HydrophobicContact CG1-CG 3.96Å; V48-M80 HydrophobicContact CG1-SD 4.33Å; V48-M80 HydrophobicContact CG2-CG 3.82Å; V48-M80 HydrophobicContact CG2-SD 3.81Å; V48-I82 HydrophobicContact CG1-CD1 3.73Å; V48-V147 HydrophobicContact CG1-CG1 3.76Å; V48-V147 HydrophobicContact CG2-CG1 4.1Å; V48-I151 HydrophobicContact CG2-CD1 3.9Å; V48-V159 HydrophobicContact CG2-CG1 3.84Å; V48-I160 PolarHBondContact N-O 2.74Å; V48-F161 HydrophobicContact CB-CD1 3.86Å; V48-F161 HydrophobicContact CB-CE1 4.01Å; V48-F161 HydrophobicContact CG1-CD1 4.08Å; V48-F161 HydrophobicContact CG1-CE1 4.02Å; V48-F161 HydrophobicContact CG2-CD1 4.39Å; V48-F161 HydrophobicContact CG2-CE1 4.16Å; V48-D162 PolarHBondContact O-N 3.48Å
49S89.3Confident90.1Very high0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-91.3130.5167.9-170.60000110.7D51 M80 I82S49-D51 PolarHBondContact OG-N 2.73Å; S49-M80 PolarHBondContact N-O 3.17Å; S49-I82 PolarHBondContact O-N 2.96Å
50T79.3Confident90.1Very high16 Ų1638.4 Ų38.410%0.09821%0.207CC..  trans-1073.9167.456.70000112P52 D162 A164T50-P52 WeakPolarHBondContact O-CD 3.36Å; T50-D162 PolarHBondContact N-O 3.48Å; T50-D162 VanDerWaalsContact N-O 3.09Å; T50-D162 PolarHBondContact OG1-O 3.11Å; T50-A164 PolarHBondContact OG1-N 3.21Å
51D77.1Confident90.1Very high23 Ų2337.1 Ų37.112%0.12321%0.207CC..  trans-81.5122177.4-166.3-30.6000109.9S49 A53 H54 N55S49-D51 PolarHBondContact OG-N 2.73Å; D51-A53 PolarHBondContact O-N 3.41Å; D51-A53 WeakPolarHBondContact OD1-CB 3.02Å; D51-A53 PolarHBondContact OD1-N 3.39Å; D51-H54 PolarHBondContact O-N 2.95Å; D51-N55 PolarHBondContact OD2-ND2 2.87Å
52P71.5Confident90Very high72 Ų7236.1 Ų36.147%0.46820%0.199SC..THydrogen-bonded Turntrans-58.8-16.6178.2-23.833.3000114.6T50 H54T50-P52 WeakPolarHBondContact O-CD 3.36Å; P52-H54 PolarHBondContact O-CD2 2.78Å; P52-H54 PolarHBondContact O-N 3.32Å
53A78.5Confident90Very high54 Ų5444.5 Ų44.545%0.44624%0.236SC..THydrogen-bonded Turntrans-75.4-2.4-176.900000114.9D51 N55D51-A53 PolarHBondContact O-N 3.41Å; D51-A53 WeakPolarHBondContact OD1-CB 3.02Å; D51-A53 PolarHBondContact OD1-N 3.39Å; A53-N55 WeakPolarHBondContact CB-OD1 3.02Å; A53-N55 PolarHBondContact O-N 3.39Å
54H81.4Confident89.9Confident84 Ų8436.5 Ų36.539%0.38920%0.198SC..  trans5535.1-178.4-62.8-71.2000113.9D51 P52 V56 S57 D58 E81D51-H54 PolarHBondContact O-N 2.95Å; P52-H54 PolarHBondContact O-CD2 2.78Å; P52-H54 PolarHBondContact O-N 3.32Å; H54-V56 VanDerWaalsContact C-N 3.25Å; H54-V56 PolarHBondContact O-N 3.09Å; H54-S57 WeakPolarHBondContact O-CB 3.09Å; H54-S57 PolarHBondContact O-N 3.24Å; H54-D58 PolarHBondContact O-N 2.74Å; H54-E81 WeakPolarHBondContact CA-OE1 3.26Å; H54-E81 WeakPolarHBondContact CB-OE2 3.19Å; H54-E81 IonicContact CE1-OE2 2.87Å; H54-E81 IonicContact CG-OE2 3.14Å; H54-E81 IonicContact ND1-OE2 2.91Å; H54-E81 PolarHBondContact ND1-OE2 2.82Å
55N88.8Confident89.6Confident53 Ų5338.7 Ų38.728%0.28321%0.211SC..Hα-helixtrans-65.7-24.5-173.6-65.6-36.6000113.3T28 D51 A53 A59T28-N55 HydrophobicContact CG2-CB 3.69Å; D51-N55 PolarHBondContact OD2-ND2 2.87Å; A53-N55 WeakPolarHBondContact CB-OD1 3.02Å; A53-N55 PolarHBondContact O-N 3.39Å; N55-A59 WeakPolarHBondContact O-CB 3.44Å; N55-A59 PolarHBondContact O-N 3.14Å
56V92.5Very high89Confident0 Ų044.6 Ų44.60%024%0.237CC..Hα-helixtrans-72.1-38.9179.6172.60000109.9T28 I47 H54 D58 A59 F60 F64 A79 E81T28-V56 HydrophobicContact CG2-CB 4.49Å; T28-V56 HydrophobicContact CG2-CG2 3.7Å; I47-V56 HydrophobicContact CD1-CG2 4.32Å; I47-V56 HydrophobicContact CG2-CG1 4.31Å; H54-V56 VanDerWaalsContact C-N 3.25Å; H54-V56 PolarHBondContact O-N 3.09Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 PolarHBondContact O-N 2.94Å; V56-A59 PolarHBondContact O-N 3.41Å; V56-F60 HydrophobicContact CG1-CD2 3.84Å; V56-F60 HydrophobicContact CG1-CE2 4.01Å; V56-F60 WeakPolarHBondContact O-CD2 3.3Å; V56-F60 PolarHBondContact O-N 3.3Å; V56-F60 VanDerWaalsContact O-N 3.1Å; V56-F64 HydrophobicContact CG1-CD2 3.95Å; V56-F64 HydrophobicContact CG1-CE2 4Å; V56-A79 HydrophobicContact CG1-CB 4.13Å; V56-E81 HydrophobicContact CB-CG 4.38Å; V56-E81 WeakPolarHBondContact CB-OE1 3.27Å; V56-E81 PolarHBondContact N-OE1 3.18Å
57S93.9Very high88.5Confident13 Ų1348 Ų489%0.09126%0.26CS..Hα-helixtrans-58.7-45.7173.4-69.20000111.9H54 N61 Q62 F64 E81H54-S57 WeakPolarHBondContact O-CB 3.09Å; H54-S57 PolarHBondContact O-N 3.24Å; S57-N61 WeakPolarHBondContact O-CA 3.22Å; S57-N61 PolarHBondContact O-N 3.2Å; S57-Q62 CarbonylContact C-O 3.6Å; S57-Q62 WeakPolarHBondContact CA-O 3.28Å; S57-Q62 WeakPolarHBondContact CB-O 3.15Å; S57-Q62 PolarHBondContact O-N 3.17Å; S57-Q62 PolarHBondContact OG-O 3.25Å; S57-F64 PolarHBondContact OG-N 3.44Å; S57-E81 PolarHBondContact N-OE1 3.49Å; S57-E81 PolarHBondContact OG-OE1 3.22Å; S57-E81 PolarHBondContact OG-OE2 3.32Å
58D93.2Very high88.3Confident86 Ų8649.6 Ų49.646%0.4627%0.271SS..Hα-helixtrans-67-37.8176.9-80.1-9000112.6H54 V56 N61H54-D58 PolarHBondContact O-N 2.74Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 PolarHBondContact O-N 2.94Å; D58-N61 PolarHBondContact O-N 2.96Å; D58-N61 PolarHBondContact O-OD1 3.18Å
59A94.7Very high88.4Confident9 Ų952 Ų527%0.07429%0.286CS..Hα-helixtrans-63.2-44.4178.900000111.5T28 N55 V56 G325 I329T28-A59 HydrophobicContact CG2-CB 4.42Å; N55-A59 WeakPolarHBondContact O-CB 3.44Å; N55-A59 PolarHBondContact O-N 3.14Å; V56-A59 PolarHBondContact O-N 3.41Å; A59-G325 PolarHBondContact O-N 3.39Å; A59-I329 HydrophobicContact CB-CD1 4.12Å; A59-I329 VanDerWaalsContact O-CD1 3.25Å; A59-I329 WeakPolarHBondContact O-CD1 3.43Å
60F96.2Very high88.8Confident7 Ų755.6 Ų55.63%0.03130%0.304CS..Hα-helixtrans-87.5-6.1179.9-72.7-69.6000114.4C32 V56 Q62 F64 V71 F74 L77 I329C32-F60 HydrophobicContact CB-CE2 3.88Å; C32-F60 HydrophobicContact CB-CZ 3.74Å; C32-F60 WeakPolarHBondContact SG-CE2 3.4Å; V56-F60 HydrophobicContact CG1-CD2 3.84Å; V56-F60 HydrophobicContact CG1-CE2 4.01Å; V56-F60 WeakPolarHBondContact O-CD2 3.3Å; V56-F60 PolarHBondContact O-N 3.3Å; V56-F60 VanDerWaalsContact O-N 3.1Å; F60-Q62 HydrophobicContact CB-CB 4.31Å; F60-Q62 PolarHBondContact O-N 3.11Å; F60-F64 HydrophobicContact CB-CE2 3.94Å; F60-F64 HydrophobicContact CB-CZ 4.09Å; F60-F64 AromaticContact CD2-CE2 3.88Å; F60-F64 HydrophobicContact CD2-CE2 3.88Å; F60-F64 HydrophobicContact CD2-CZ 4.21Å; F60-F64 HydrophobicContact CG-CE2 4.29Å; F60-F64 HydrophobicContact CG-CZ 4.39Å; F60-V71 HydrophobicContact CB-CG1 4.28Å; F60-V71 HydrophobicContact CD1-CG1 3.42Å; F60-V71 VanDerWaalsContact CD1-CG1 3.42Å; F60-V71 HydrophobicContact CD2-CG1 4.27Å; F60-V71 HydrophobicContact CE1-CG1 3.71Å; F60-V71 HydrophobicContact CE2-CG1 4.49Å; F60-V71 HydrophobicContact CG-CG1 3.74Å; F60-V71 HydrophobicContact CZ-CG1 4.24Å; F60-F74 HydrophobicContact CE1-CE2 4.02Å; F60-L77 HydrophobicContact CE1-CD2 4.2Å; F60-L77 HydrophobicContact CZ-CD2 3.86Å; F60-I329 HydrophobicContact CD1-CD1 3.42Å; F60-I329 VanDerWaalsContact CD1-CD1 3.42Å; F60-I329 HydrophobicContact CD2-CD1 4.42Å; F60-I329 HydrophobicContact CE1-CD1 3.43Å; F60-I329 VanDerWaalsContact CE1-CD1 3.43Å; F60-I329 HydrophobicContact CE1-CG2 4.16Å; F60-I329 HydrophobicContact CE2-CD1 4.44Å; F60-I329 HydrophobicContact CG-CD1 3.95Å; F60-I329 HydrophobicContact CZ-CD1 3.97Å
61N94.7Very high89.7Confident109 Ų10954.9 Ų54.958%0.58330%0.3SS*.THydrogen-bonded Turntrans54.435.2-167.7-67.7-33.5000112.8S57 D58S57-N61 WeakPolarHBondContact O-CA 3.22Å; S57-N61 PolarHBondContact O-N 3.2Å; D58-N61 PolarHBondContact O-N 2.96Å; D58-N61 PolarHBondContact O-OD1 3.18Å
62Q94.9Very high90.6Very high26 Ų2660.4 Ų60.412%0.12133%0.325CS..SBendtrans-140129.1-177.7-179.8-177.2-6.800108.9S57 F60 F64 L70S57-Q62 CarbonylContact C-O 3.6Å; S57-Q62 WeakPolarHBondContact CA-O 3.28Å; S57-Q62 WeakPolarHBondContact CB-O 3.15Å; S57-Q62 PolarHBondContact O-N 3.17Å; S57-Q62 PolarHBondContact OG-O 3.25Å; F60-Q62 HydrophobicContact CB-CB 4.31Å; F60-Q62 PolarHBondContact O-N 3.11Å; Q62-F64 HydrophobicContact CB-CE1 4.3Å; Q62-F64 HydrophobicContact CB-CE2 4.19Å; Q62-F64 HydrophobicContact CB-CZ 3.76Å; Q62-F64 HydrophobicContact CG-CE1 3.8Å; Q62-F64 HydrophobicContact CG-CZ 3.8Å; Q62-F64 VanDerWaalsContact O-CD2 3.3Å; Q62-F64 WeakPolarHBondContact O-CD2 3.24Å; Q62-F64 VanDerWaalsContact O-CE2 3.24Å; Q62-F64 WeakPolarHBondContact O-CE2 3.49Å; Q62-F64 PolarHBondContact O-N 2.87Å; Q62-L70 PolarHBondContact NE2-O 3.22Å
63K93.8Very high91.7Very high183 Ų18359.4 Ų59.480%0.79633%0.328SS*.  trans-76.9123.3-179.4-172.1171.5-175.9173.20111
64F92.8Very high92.6Very high6 Ų658.1 Ų58.13%0.02631%0.312CS..  trans-103.6164.8174.2-58.3-65.2000111.9V56 S57 F60 Q62 V71 A79 E81V56-F64 HydrophobicContact CG1-CD2 3.95Å; V56-F64 HydrophobicContact CG1-CE2 4Å; S57-F64 PolarHBondContact OG-N 3.44Å; F60-F64 HydrophobicContact CB-CE2 3.94Å; F60-F64 HydrophobicContact CB-CZ 4.09Å; F60-F64 AromaticContact CD2-CE2 3.88Å; F60-F64 HydrophobicContact CD2-CE2 3.88Å; F60-F64 HydrophobicContact CD2-CZ 4.21Å; F60-F64 HydrophobicContact CG-CE2 4.29Å; F60-F64 HydrophobicContact CG-CZ 4.39Å; Q62-F64 HydrophobicContact CB-CE1 4.3Å; Q62-F64 HydrophobicContact CB-CE2 4.19Å; Q62-F64 HydrophobicContact CB-CZ 3.76Å; Q62-F64 HydrophobicContact CG-CE1 3.8Å; Q62-F64 HydrophobicContact CG-CZ 3.8Å; Q62-F64 VanDerWaalsContact O-CD2 3.3Å; Q62-F64 WeakPolarHBondContact O-CD2 3.24Å; Q62-F64 VanDerWaalsContact O-CE2 3.24Å; Q62-F64 WeakPolarHBondContact O-CE2 3.49Å; Q62-F64 PolarHBondContact O-N 2.87Å; F64-V71 HydrophobicContact CE1-CG2 4.03Å; F64-V71 HydrophobicContact CZ-CB 4.48Å; F64-V71 HydrophobicContact CZ-CG1 4.38Å; F64-V71 HydrophobicContact CZ-CG2 3.82Å; F64-A79 HydrophobicContact CD1-CB 3.67Å; F64-A79 HydrophobicContact CD2-CB 3.86Å; F64-A79 HydrophobicContact CE1-CB 3.64Å; F64-A79 HydrophobicContact CE2-CB 3.83Å; F64-A79 HydrophobicContact CG-CB 3.78Å; F64-A79 HydrophobicContact CZ-CB 3.73Å; F64-E81 HydrophobicContact CB-CG 4Å
65T88.9Confident93.3Very high72 Ų7259 Ų5944%0.44233%0.328SS..  trans-135.4-174.717869.40000109.2S67 M80 E81T65-S67 PolarHBondContact O-N 3.28Å; T65-S67 PolarHBondContact OG1-N 3.45Å; T65-M80 WeakPolarHBondContact O-CA 3.23Å; T65-E81 CarbonylContact C-O 3.54Å; T65-E81 PolarHBondContact O-N 3.49Å
66K84.5Confident93.7Very high124 Ų12457.7 Ų57.754%0.53932%0.321SS..SBendtrans-62.4-18.6173.966.9178.2-174.6172.70114.6M80 E81K66-M80 WeakPolarHBondContact O-CE 3.48Å; K66-E81 WeakPolarHBondContact CA-O 3.24Å; K66-E81 PolarHBondContact N-O 2.65Å
67S86.2Confident93.9Very high71 Ų7157.7 Ų57.750%0.49732%0.321SS..SBendtrans-92.6130.9176.3-62.20000110.2T65 T69T65-S67 PolarHBondContact O-N 3.28Å; T65-S67 PolarHBondContact OG1-N 3.45Å; S67-T69 PolarHBondContact O-N 2.95Å; S67-T69 PolarHBondContact O-OG1 2.79Å
68P91.1Very high94Very high34 Ų3460.6 Ų60.622%0.22133%0.331CS..  trans-55.7124.8177.3-32.141.2000112.4L46 M80 M154 F156L46-P68 HydrophobicContact CD1-CB 3.97Å; L46-P68 HydrophobicContact CD1-CG 4.09Å; P68-M80 HydrophobicContact CG-CB 4.32Å; P68-M80 HydrophobicContact CG-SD 3.91Å; P68-M154 HydrophobicContact CB-SD 4.3Å; P68-M154 HydrophobicContact CG-CE 3.34Å; P68-M154 HydrophobicContact CG-SD 3.56Å; P68-M154 VanDerWaalsContact CG-SD 3.56Å; P68-F156 HydrophobicContact CB-CZ 4.25Å; P68-F156 HydrophobicContact CG-CE2 4.49Å
69T94.1Very high94.1Very high51 Ų5156.5 Ų56.531%0.31331%0.309SS..EExtended strand (participates in β ladder)trans-122.8137.3-177.2-56.30000108.5S67 V71 Y78 A79S67-T69 PolarHBondContact O-N 2.95Å; S67-T69 PolarHBondContact O-OG1 2.79Å; T69-V71 PolarHBondContact O-N 2.88Å; T69-Y78 CarbonylContact O-C 3.54Å; T69-Y78 VanDerWaalsContact O-CA 3.29Å; T69-Y78 WeakPolarHBondContact O-CA 3.26Å; T69-A79 PolarHBondContact N-O 3Å; T69-A79 PolarHBondContact O-N 3.28Å
70L96.7Very high93.9Very high75 Ų7556 Ų5639%0.39331%0.305SS..EExtended strand (participates in β ladder)trans-63.9131.1178.3-173.574.3000110Q62 L77 Y78Q62-L70 PolarHBondContact NE2-O 3.22Å; L70-L77 WeakPolarHBondContact CD1-O 3.39Å; L70-Y78 HydrophobicContact CB-CD1 4.28Å; L70-Y78 HydrophobicContact CB-CE1 4.12Å; L70-Y78 HydrophobicContact CD1-CD1 4.32Å; L70-Y78 HydrophobicContact CD1-CD2 4.45Å; L70-Y78 HydrophobicContact CD1-CE1 3.91Å; L70-Y78 HydrophobicContact CD1-CE2 4.06Å
71V97.4Very high93.5Very high0 Ų056.1 Ų56.10%031%0.306CS..PPolyproline II helixtrans-77.1127177-1780000109.9F60 F64 T69 G73 F74 L77 A79F60-V71 HydrophobicContact CB-CG1 4.28Å; F60-V71 HydrophobicContact CD1-CG1 3.42Å; F60-V71 VanDerWaalsContact CD1-CG1 3.42Å; F60-V71 HydrophobicContact CD2-CG1 4.27Å; F60-V71 HydrophobicContact CE1-CG1 3.71Å; F60-V71 HydrophobicContact CE2-CG1 4.49Å; F60-V71 HydrophobicContact CG-CG1 3.74Å; F60-V71 HydrophobicContact CZ-CG1 4.24Å; F64-V71 HydrophobicContact CE1-CG2 4.03Å; F64-V71 HydrophobicContact CZ-CB 4.48Å; F64-V71 HydrophobicContact CZ-CG1 4.38Å; F64-V71 HydrophobicContact CZ-CG2 3.82Å; T69-V71 PolarHBondContact O-N 2.88Å; V71-G73 PolarHBondContact O-N 3.38Å; V71-F74 HydrophobicContact CB-CD2 4.15Å; V71-F74 HydrophobicContact CG1-CD2 3.84Å; V71-F74 HydrophobicContact CG1-CE2 4.25Å; V71-F74 PolarHBondContact O-N 2.91Å; V71-F74 VanDerWaalsContact O-N 3.15Å; V71-L77 HydrophobicContact CB-CB 4.29Å; V71-L77 HydrophobicContact CB-CD2 4.19Å; V71-L77 HydrophobicContact CB-CG 4.12Å; V71-L77 HydrophobicContact CG1-CD2 4.37Å; V71-L77 HydrophobicContact CG2-CB 4.38Å; V71-L77 HydrophobicContact CG2-CD2 4.1Å; V71-L77 HydrophobicContact CG2-CG 3.79Å; V71-L77 PolarHBondContact N-O 2.98Å; V71-A79 HydrophobicContact CG2-CB 3.74Å
72E96.4Very high92.8Very high139 Ų13951.1 Ų51.165%0.6528%0.279SS*.THydrogen-bonded Turntrans-58.6128.8178.5-71.1-175.9-170.800111.1T326E72-T326 WeakPolarHBondContact O-CB 3.33Å; E72-T326 WeakPolarHBondContact O-CG2 3.45Å; E72-T326 PolarHBondContact O-OG1 3.23Å
73G95.1Very high91.6Very high52 Ų5251.8 Ų51.854%0.53628%0.283SS..THydrogen-bonded Turntrans91.43.8-177.400000115.2V71 K330V71-G73 PolarHBondContact O-N 3.38Å; G73-K330 PolarHBondContact O-NZ 3.38Å
74F97.1Very high90.1Very high26 Ų2643.9 Ų43.911%0.11425%0.25CS..  trans-127.1152.8169.8-64.3-88.2000111A36 T39 F60 V71 L77 T326 K330A36-F74 HydrophobicContact CB-CE1 3.93Å; A36-F74 HydrophobicContact CB-CZ 3.66Å; T39-F74 HydrophobicContact CG2-CD1 3.88Å; T39-F74 HydrophobicContact CG2-CE1 4.3Å; F60-F74 HydrophobicContact CE1-CE2 4.02Å; V71-F74 HydrophobicContact CB-CD2 4.15Å; V71-F74 HydrophobicContact CG1-CD2 3.84Å; V71-F74 HydrophobicContact CG1-CE2 4.25Å; V71-F74 PolarHBondContact O-N 2.91Å; V71-F74 VanDerWaalsContact O-N 3.15Å; F74-L77 HydrophobicContact CB-CB 3.57Å; F74-L77 HydrophobicContact CD1-CB 4.24Å; F74-L77 HydrophobicContact CD1-CD2 4.31Å; F74-L77 HydrophobicContact CD2-CB 4.19Å; F74-L77 HydrophobicContact CD2-CD2 3.73Å; F74-L77 HydrophobicContact CE1-CD2 4.38Å; F74-L77 HydrophobicContact CE2-CD2 3.78Å; F74-L77 HydrophobicContact CG-CB 3.76Å; F74-L77 HydrophobicContact CG-CD2 3.99Å; F74-L77 HydrophobicContact CZ-CD2 4.13Å; F74-T326 HydrophobicContact CD2-CG2 3.91Å; F74-T326 HydrophobicContact CE2-CG2 3.37Å; F74-T326 HydrophobicContact CZ-CG2 4.04Å; F74-K330 HydrophobicContact CE1-CG 4.26Å; F74-K330 HydrophobicContact CZ-CD 4.31Å; F74-K330 HydrophobicContact CZ-CG 3.8Å
75S96.2Very high88.4Confident104 Ų10448.6 Ų48.673%0.72728%0.279SS*.SBendtrans-97-16.6176.852.20000113.8
76N96.5Very high86.7Confident25 Ų2550.1 Ų50.113%0.13428%0.284CS..SBendtrans-142.612.1-17061.7-24.8000113.8T39 R42 E43 V45T39-N76 WeakPolarHBondContact CB-OD1 3.47Å; T39-N76 PolarHBondContact O-ND2 3.25Å; R42-N76 PolarHBondContact O-ND2 3.36Å; E43-N76 WeakPolarHBondContact O-CB 3.28Å; E43-N76 PolarHBondContact O-ND2 3.17Å; V45-N76 PolarHBondContact N-O 2.84Å
77L97.7Very high85.1Confident0 Ų044.8 Ų44.80%026%0.261CS..EExtended strand (participates in β ladder)trans-101.7125.1172.9-176.156.5000109.8A35 T39 V45 F60 L70 V71 F74A35-L77 HydrophobicContact CB-CD1 3.7Å; A35-L77 HydrophobicContact CB-CD2 4.4Å; T39-L77 HydrophobicContact CG2-CB 3.65Å; T39-L77 HydrophobicContact CG2-CD1 4.24Å; T39-L77 HydrophobicContact CG2-CD2 4.39Å; T39-L77 HydrophobicContact CG2-CG 4.29Å; V45-L77 HydrophobicContact CB-CD1 3.91Å; V45-L77 HydrophobicContact CG1-CD1 3.66Å; V45-L77 WeakPolarHBondContact O-CA 3.36Å; F60-L77 HydrophobicContact CE1-CD2 4.2Å; F60-L77 HydrophobicContact CZ-CD2 3.86Å; L70-L77 WeakPolarHBondContact CD1-O 3.39Å; V71-L77 HydrophobicContact CB-CB 4.29Å; V71-L77 HydrophobicContact CB-CD2 4.19Å; V71-L77 HydrophobicContact CB-CG 4.12Å; V71-L77 HydrophobicContact CG1-CD2 4.37Å; V71-L77 HydrophobicContact CG2-CB 4.38Å; V71-L77 HydrophobicContact CG2-CD2 4.1Å; V71-L77 HydrophobicContact CG2-CG 3.79Å; V71-L77 PolarHBondContact N-O 2.98Å; F74-L77 HydrophobicContact CB-CB 3.57Å; F74-L77 HydrophobicContact CD1-CB 4.24Å; F74-L77 HydrophobicContact CD1-CD2 4.31Å; F74-L77 HydrophobicContact CD2-CB 4.19Å; F74-L77 HydrophobicContact CD2-CD2 3.73Å; F74-L77 HydrophobicContact CE1-CD2 4.38Å; F74-L77 HydrophobicContact CE2-CD2 3.78Å; F74-L77 HydrophobicContact CG-CB 3.76Å; F74-L77 HydrophobicContact CG-CD2 3.99Å; F74-L77 HydrophobicContact CZ-CD2 4.13Å
78Y96.1Very high83.3Confident73 Ų7342.9 Ų42.929%0.28625%0.246SC..EExtended strand (participates in β ladder)trans-118.1145.5176.9-61.4-100.8000109V45 L46 I47 T69 L70 F156V45-Y78 PolarHBondContact O-N 3.15Å; L46-Y78 CarbonylContact C-O 3.54Å; L46-Y78 WeakPolarHBondContact CA-O 2.87Å; I47-Y78 PolarHBondContact N-O 3.28Å; T69-Y78 CarbonylContact O-C 3.54Å; T69-Y78 VanDerWaalsContact O-CA 3.29Å; T69-Y78 WeakPolarHBondContact O-CA 3.26Å; L70-Y78 HydrophobicContact CB-CD1 4.28Å; L70-Y78 HydrophobicContact CB-CE1 4.12Å; L70-Y78 HydrophobicContact CD1-CD1 4.32Å; L70-Y78 HydrophobicContact CD1-CD2 4.45Å; L70-Y78 HydrophobicContact CD1-CE1 3.91Å; L70-Y78 HydrophobicContact CD1-CE2 4.06Å; Y78-F156 HydrophobicContact CD1-CZ 4.49Å; Y78-F156 HydrophobicContact CD2-CD1 4.4Å; Y78-F156 AromaticContact CD2-CE1 3.45Å; Y78-F156 HydrophobicContact CD2-CE1 3.45Å; Y78-F156 VanDerWaalsContact CD2-CE1 3.45Å; Y78-F156 HydrophobicContact CD2-CZ 4.17Å; Y78-F156 AromaticContact CE2-CE1 3.99Å; Y78-F156 HydrophobicContact CE2-CE1 3.99Å; Y78-F156 AromaticContact CG-CE1 3.74Å; Y78-F156 HydrophobicContact CG-CE1 3.74Å; Y78-F156 AromaticContact CG-CZ 4Å; Y78-F156 HydrophobicContact CG-CZ 4Å
79A95.1Very high81.3Confident0 Ų044 Ų440%026%0.255CS..EExtended strand (participates in β ladder)trans-127.4145.8174.600000110.6I47 V56 F64 T69 V71I47-A79 HydrophobicContact CG2-CB 3.53Å; I47-A79 WeakPolarHBondContact O-CA 3.45Å; V56-A79 HydrophobicContact CG1-CB 4.13Å; F64-A79 HydrophobicContact CD1-CB 3.67Å; F64-A79 HydrophobicContact CD2-CB 3.86Å; F64-A79 HydrophobicContact CE1-CB 3.64Å; F64-A79 HydrophobicContact CE2-CB 3.83Å; F64-A79 HydrophobicContact CG-CB 3.78Å; F64-A79 HydrophobicContact CZ-CB 3.73Å; T69-A79 PolarHBondContact N-O 3Å; T69-A79 PolarHBondContact O-N 3.28Å; V71-A79 HydrophobicContact CG2-CB 3.74Å
80M90.9Very high79.2Confident0 Ų044.9 Ų44.90%026%0.26CS..EExtended strand (participates in β ladder)trans-140.4148170.268.8-172.7-64.700109.8L46 I47 V48 S49 T65 K66 P68 I82 V147 L150L46-M80 HydrophobicContact CD1-CG 4.16Å; L46-M80 HydrophobicContact CD1-SD 4.22Å; L46-M80 HydrophobicContact CD2-SD 3.91Å; L46-M80 HydrophobicContact CG-SD 4.47Å; I47-M80 PolarHBondContact O-N 3.17Å; V48-M80 WeakPolarHBondContact CA-O 3.4Å; V48-M80 HydrophobicContact CB-CG 4.14Å; V48-M80 HydrophobicContact CG1-CG 3.96Å; V48-M80 HydrophobicContact CG1-SD 4.33Å; V48-M80 HydrophobicContact CG2-CG 3.82Å; V48-M80 HydrophobicContact CG2-SD 3.81Å; S49-M80 PolarHBondContact N-O 3.17Å; T65-M80 WeakPolarHBondContact O-CA 3.23Å; K66-M80 WeakPolarHBondContact O-CE 3.48Å; P68-M80 HydrophobicContact CG-CB 4.32Å; P68-M80 HydrophobicContact CG-SD 3.91Å; M80-I82 HydrophobicContact CE-CD1 3.29Å; M80-I82 HydrophobicContact CE-CG1 3.91Å; M80-I82 HydrophobicContact CG-CD1 4.39Å; M80-I82 HydrophobicContact SD-CD1 4.23Å; M80-V147 HydrophobicContact CE-CG1 4.22Å; M80-V147 HydrophobicContact SD-CG1 4.21Å; M80-L150 HydrophobicContact CE-CD1 4.13Å
81E87.7Confident76.7Confident9 Ų944 Ų444%0.04225%0.252CS..EExtended strand (participates in β ladder)trans-124.9131.5176.8-67.5-172.2151.600109.4H54 V56 S57 F64 T65 K66H54-E81 WeakPolarHBondContact CA-OE1 3.26Å; H54-E81 WeakPolarHBondContact CB-OE2 3.19Å; H54-E81 IonicContact CE1-OE2 2.87Å; H54-E81 IonicContact CG-OE2 3.14Å; H54-E81 IonicContact ND1-OE2 2.91Å; H54-E81 PolarHBondContact ND1-OE2 2.82Å; V56-E81 HydrophobicContact CB-CG 4.38Å; V56-E81 WeakPolarHBondContact CB-OE1 3.27Å; V56-E81 PolarHBondContact N-OE1 3.18Å; S57-E81 PolarHBondContact N-OE1 3.49Å; S57-E81 PolarHBondContact OG-OE1 3.22Å; S57-E81 PolarHBondContact OG-OE2 3.32Å; F64-E81 HydrophobicContact CB-CG 4Å; T65-E81 CarbonylContact C-O 3.54Å; T65-E81 PolarHBondContact O-N 3.49Å; K66-E81 WeakPolarHBondContact CA-O 3.24Å; K66-E81 PolarHBondContact N-O 2.65Å
82I79.2Confident74.3Confident4 Ų445.4 Ų45.42%0.02126%0.261CS..  trans-124.8125.5-173.2-68.9159.7000108.4V48 S49 M80 P84 E87 V147V48-I82 HydrophobicContact CG1-CD1 3.73Å; S49-I82 PolarHBondContact O-N 2.96Å; M80-I82 HydrophobicContact CE-CD1 3.29Å; M80-I82 HydrophobicContact CE-CG1 3.91Å; M80-I82 HydrophobicContact CG-CD1 4.39Å; M80-I82 HydrophobicContact SD-CD1 4.23Å; I82-P84 WeakPolarHBondContact O-CD 3.11Å; I82-E87 WeakPolarHBondContact CG2-OE1 3.42Å; I82-E87 VanDerWaalsContact CG2-OE2 3.23Å; I82-E87 WeakPolarHBondContact CG2-OE2 3.08Å; I82-V147 HydrophobicContact CD1-CB 3.9Å; I82-V147 HydrophobicContact CD1-CG1 3.64Å; I82-V147 HydrophobicContact CD1-CG2 3.14Å; I82-V147 HydrophobicContact CG1-CG2 4.41Å; I82-V147 HydrophobicContact CG2-CG2 4.45Å
83D70Confident72.2Confident39 Ų3943.2 Ų43.221%0.20925%0.254CS..  trans-96109.5175-172.9-13.9000109V85 I86D83-V85 PolarHBondContact O-N 3.43Å; D83-V85 VanDerWaalsContact O-N 3.14Å; D83-V85 WeakPolarHBondContact OD1-CB 3.15Å; D83-V85 PolarHBondContact OD1-N 3.32Å; D83-I86 HydrophobicContact CB-CD1 4.1Å; D83-I86 HydrophobicContact CB-CG1 4.25Å; D83-I86 PolarHBondContact O-N 3.46Å; D83-I86 WeakPolarHBondContact OD2-CD1 3.44Å
84P61.3Low70.1Confident17 Ų1746.1 Ų46.111%0.1126%0.257CS..Hα-helixtrans-62.1-21.3-178.424.5-32.5000113.3I82I82-P84 WeakPolarHBondContact O-CD 3.11Å
85V58.2Low67.6Low105 Ų10547 Ų4764%0.63627%0.266SS*.Hα-helixtrans-78.5-31.9-176.5-176.70000111.9D83 T88D83-V85 PolarHBondContact O-N 3.43Å; D83-V85 VanDerWaalsContact O-N 3.14Å; D83-V85 WeakPolarHBondContact OD1-CB 3.15Å; D83-V85 PolarHBondContact OD1-N 3.32Å; V85-T88 PolarHBondContact O-OG1 3.04Å
86I52.9Low65.2Low105 Ų10542.9 Ų42.954%0.53824%0.236SC..Hα-helixtrans-81.3-38.9-176.6-60175.5000110.1D83 T88 S89 T90D83-I86 HydrophobicContact CB-CD1 4.1Å; D83-I86 HydrophobicContact CB-CG1 4.25Å; D83-I86 PolarHBondContact O-N 3.46Å; D83-I86 WeakPolarHBondContact OD2-CD1 3.44Å; I86-T88 VanDerWaalsContact C-N 3.33Å; I86-T88 PolarHBondContact O-N 3.47Å; I86-S89 PolarHBondContact O-N 3.22Å; I86-S89 PolarHBondContact O-OG 2.95Å; I86-T90 PolarHBondContact O-OG1 3.11Å
87E51.3Low63Low12 Ų1247.4 Ų47.46%0.05626%0.26CS..Hα-helixtrans-67.9-32-172.9-71-177.2172.100113.2I82 S89 T90 W91 S143I82-E87 WeakPolarHBondContact CG2-OE1 3.42Å; I82-E87 VanDerWaalsContact CG2-OE2 3.23Å; I82-E87 WeakPolarHBondContact CG2-OE2 3.08Å; E87-S89 VanDerWaalsContact C-N 3.32Å; E87-S89 PolarHBondContact O-N 2.99Å; E87-T90 WeakPolarHBondContact CA-OG1 3.44Å; E87-T90 PolarHBondContact O-N 3.07Å; E87-T90 PolarHBondContact O-OG1 2.83Å; E87-W91 PolarHBondContact O-N 2.78Å; E87-S143 WeakPolarHBondContact OE2-CA 3.47Å; E87-S143 WeakPolarHBondContact OE2-CB 3.47Å
88T48.9Very low60.8Low30 Ų3050.4 Ų50.418%0.18427%0.274CS..Hα-helixtrans-65.6-34.7178.8490000112.9V85 I86 S92 D139V85-T88 PolarHBondContact O-OG1 3.04Å; I86-T88 VanDerWaalsContact C-N 3.33Å; I86-T88 PolarHBondContact O-N 3.47Å; T88-S92 WeakPolarHBondContact O-CB 3.49Å; T88-S92 PolarHBondContact O-N 3.48Å; T88-S92 PolarHBondContact O-OG 3.34Å; T88-D139 VanDerWaalsContact CG2-CA 3.4Å; T88-D139 HydrophobicContact CG2-CB 3.58Å; T88-D139 WeakPolarHBondContact CG2-OD1 3.45Å
89S48.4Very low58.6Low57 Ų5751.2 Ų51.240%0.39929%0.288SS..Hα-helixtrans-62.5-48.1174.668.70000111.2I86 E87 S92 D93I86-S89 PolarHBondContact O-N 3.22Å; I86-S89 PolarHBondContact O-OG 2.95Å; E87-S89 VanDerWaalsContact C-N 3.32Å; E87-S89 PolarHBondContact O-N 2.99Å; S89-S92 PolarHBondContact O-N 2.75Å; S89-S92 PolarHBondContact O-OG 3.05Å; S89-D93 PolarHBondContact O-N 3.13Å
90T49.1Very low56.7Low70 Ų7051.6 Ų51.643%0.42929%0.291SS..Hα-helixtrans-64.7-42.1177.727.90000113.5I86 E87 D93 D94I86-T90 PolarHBondContact O-OG1 3.11Å; E87-T90 WeakPolarHBondContact CA-OG1 3.44Å; E87-T90 PolarHBondContact O-N 3.07Å; E87-T90 PolarHBondContact O-OG1 2.83Å; T90-D93 PolarHBondContact O-N 3.43Å; T90-D94 PolarHBondContact O-N 3.47Å
91W46Very low54.7Low58 Ų5854.5 Ų54.522%0.2231%0.306CS..Hα-helixtrans-69.2-35.6175.6-86.680.1000112.5E87 D93 D94 C95 M142 E146E87-W91 PolarHBondContact O-N 2.78Å; W91-D93 VanDerWaalsContact C-N 3.32Å; W91-D94 PolarHBondContact O-N 2.55Å; W91-C95 VanDerWaalsContact O-CB 3.23Å; W91-C95 WeakPolarHBondContact O-CB 3.36Å; W91-C95 PolarHBondContact O-N 3.43Å; W91-C95 PolarHBondContact O-SG 2.94Å; W91-M142 HydrophobicContact CB-CE 4.1Å; W91-M142 HydrophobicContact CD2-CE 3.42Å; W91-M142 VanDerWaalsContact CD2-CE 3.42Å; W91-M142 HydrophobicContact CE3-CE 3.04Å; W91-M142 HydrophobicContact CG-CE 3.92Å; W91-M142 HydrophobicContact CH2-CE 4.21Å; W91-M142 HydrophobicContact CZ3-CE 3.48Å; W91-M142 VanDerWaalsContact CZ3-CE 3.48Å; W91-E146 HydrophobicContact CZ2-CB 4.13Å; W91-E146 PolarHBondContact NE1-OE2 3.07Å
92S47.1Very low53Low28 Ų2855 Ų5520%0.19631%0.308CS..Hα-helixtrans-63.1-43.2174.971.30000109.8T88 S89 C95 L96T88-S92 WeakPolarHBondContact O-CB 3.49Å; T88-S92 PolarHBondContact O-N 3.48Å; T88-S92 PolarHBondContact O-OG 3.34Å; S89-S92 PolarHBondContact O-N 2.75Å; S89-S92 PolarHBondContact O-OG 3.05Å; S92-C95 PolarHBondContact O-N 3.13Å; S92-L96 WeakPolarHBondContact O-CB 3.49Å; S92-L96 WeakPolarHBondContact O-CD1 3.46Å; S92-L96 WeakPolarHBondContact O-CG 3.34Å; S92-L96 PolarHBondContact O-N 3.45Å
93D50.7Low51.7Low94 Ų9456.9 Ų56.950%0.50332%0.318SS..Hα-helixtrans-62.6-47.1175.3-73.5-22.3000111.5S89 T90 W91 C95 L96 D97S89-D93 PolarHBondContact O-N 3.13Å; T90-D93 PolarHBondContact O-N 3.43Å; W91-D93 VanDerWaalsContact C-N 3.32Å; D93-C95 PolarHBondContact O-N 3.42Å; D93-L96 PolarHBondContact O-N 2.96Å; D93-D97 VanDerWaalsContact O-CB 3.32Å; D93-D97 WeakPolarHBondContact O-CB 3.16Å; D93-D97 PolarHBondContact O-N 3.06Å
94D51.7Low51Low112 Ų11257.2 Ų57.260%0.59932%0.32SS*.Hα-helixtrans-63.6-37.3177.9-76.6-14.5000113T90 W91T90-D94 PolarHBondContact O-N 3.47Å; W91-D94 PolarHBondContact O-N 2.55Å
95C44.5Very low50.5Low44 Ų4457.6 Ų57.630%0.29732%0.321SS..Hα-helixtrans-76.5-30.8176.5-67.10000112.6W91 S92 D93W91-C95 VanDerWaalsContact O-CB 3.23Å; W91-C95 WeakPolarHBondContact O-CB 3.36Å; W91-C95 PolarHBondContact O-N 3.43Å; W91-C95 PolarHBondContact O-SG 2.94Å; S92-C95 PolarHBondContact O-N 3.13Å; D93-C95 PolarHBondContact O-N 3.42Å
96L46Very low50.3Low18 Ų1854.2 Ų54.29%0.09430%0.299CS..Hα-helixtrans-80.7-24.1177.5-69170.7000111.6S92 D93 E98 L102 K125 I128S92-L96 WeakPolarHBondContact O-CB 3.49Å; S92-L96 WeakPolarHBondContact O-CD1 3.46Å; S92-L96 WeakPolarHBondContact O-CG 3.34Å; S92-L96 PolarHBondContact O-N 3.45Å; D93-L96 PolarHBondContact O-N 2.96Å; L96-E98 PolarHBondContact O-N 3.24Å; L96-L102 HydrophobicContact CD2-CD2 4.32Å; L96-L102 WeakPolarHBondContact O-CD1 3.4Å; L96-K125 HydrophobicContact CD2-CG 4.3Å; L96-I128 HydrophobicContact CD2-CB 3.93Å; L96-I128 HydrophobicContact CD2-CD1 3.69Å; L96-I128 HydrophobicContact CD2-CG1 4.37Å; L96-I128 HydrophobicContact CD2-CG2 3.91Å
97D50.8Low50.4Low121 Ų12150 Ų5065%0.64728%0.279SS*.SBendtrans-77.9-4.6172.1-82-14.6000112.9D93 P99D93-D97 VanDerWaalsContact O-CB 3.32Å; D93-D97 WeakPolarHBondContact O-CB 3.16Å; D93-D97 PolarHBondContact O-N 3.06Å; D97-P99 WeakPolarHBondContact O-CD 3.49Å
98E51.5Low50.4Low62 Ų6255.1 Ų55.129%0.2931%0.306SS..  trans-75.6108.5167.9-81.9-69.4145.700110.9L96 S100 M101 K217L96-E98 PolarHBondContact O-N 3.24Å; E98-S100 PolarHBondContact O-N 3.36Å; E98-M101 PolarHBondContact O-N 3.21Å; E98-K217 IonicContact OE1-NZ 2.74Å; E98-K217 PolarHBondContact OE1-NZ 2.86Å; E98-K217 IonicContact OE2-NZ 3.44Å; E98-K217 PolarHBondContact OE2-NZ 2.84Å
99P49.8Very low50.6Low90 Ų9055.8 Ų55.858%0.58431%0.308SS*.Hα-helixtrans-58.4-28.9-174.7-21.933.7000112.5D97 L103D97-P99 WeakPolarHBondContact O-CD 3.49Å; P99-L103 VanDerWaalsContact O-CB 3.26Å; P99-L103 WeakPolarHBondContact O-CB 3.5Å; P99-L103 PolarHBondContact O-N 2.91Å
100S54Low50.9Low9 Ų954.4 Ų54.46%0.06330%0.3CS..Hα-helixtrans-71.7-32.3-174650000114.1E98 N104 T214E98-S100 PolarHBondContact O-N 3.36Å; S100-N104 PolarHBondContact O-N 3.35Å; S100-N104 PolarHBondContact O-ND2 3.18Å; S100-N104 VanDerWaalsContact O-ND2 3.17Å; S100-T214 WeakPolarHBondContact CB-OG1 3.25Å; S100-T214 PolarHBondContact OG-OG1 2.89Å
101M48.9Very low51Low61 Ų6154.2 Ų54.230%0.330%0.3SS..Hα-helixtrans-78-41.9178.7-162.6-175.6-66.300111.2E98 L103 N104 I105 I128E98-M101 PolarHBondContact O-N 3.21Å; M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 3.48Å; M101-N104 PolarHBondContact O-N 3.26Å; M101-I105 PolarHBondContact O-N 2.93Å; M101-I128 HydrophobicContact CB-CD1 4.49Å; M101-I128 HydrophobicContact CG-CD1 3.91Å; M101-I128 HydrophobicContact SD-CD1 3.81Å; M101-I128 HydrophobicContact SD-CG1 4.4Å; M101-I128 HydrophobicContact SD-CG2 4.33Å
102L51.8Low51.3Low19 Ų1955.6 Ų55.610%0.09932%0.324CS..Hα-helixtrans-63.5-38.8175-72.5176.3000112.2L96 N104 I105 L106 M121 K125 I128L96-L102 HydrophobicContact CD2-CD2 4.32Å; L96-L102 WeakPolarHBondContact O-CD1 3.4Å; L102-N104 VanDerWaalsContact C-N 3.34Å; L102-N104 PolarHBondContact O-N 3.11Å; L102-I105 PolarHBondContact O-N 3.34Å; L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 PolarHBondContact O-N 3.4Å; L102-M121 HydrophobicContact CD1-CE 3.82Å; L102-K125 HydrophobicContact CD1-CG 4.44Å; L102-K125 HydrophobicContact CD2-CB 4.49Å; L102-K125 HydrophobicContact CD2-CG 3.54Å; L102-I128 HydrophobicContact CD2-CD1 3.97Å
103L53.4Low51.8Low44 Ų4456.5 Ų56.523%0.2333%0.333CS..Hα-helixtrans-63.3-38.9177-170.567.3000112.3P99 M101 I105 L106 C107 I206 E210P99-L103 VanDerWaalsContact O-CB 3.26Å; P99-L103 WeakPolarHBondContact O-CB 3.5Å; P99-L103 PolarHBondContact O-N 2.91Å; M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 3.48Å; L103-I105 VanDerWaalsContact C-N 3.29Å; L103-I105 PolarHBondContact O-N 3.1Å; L103-L106 HydrophobicContact CD1-CD2 4.29Å; L103-L106 PolarHBondContact O-N 2.94Å; L103-C107 WeakPolarHBondContact O-CB 3.36Å; L103-C107 PolarHBondContact O-N 3.26Å; L103-I206 HydrophobicContact CD2-CG1 3.89Å; L103-I206 HydrophobicContact CG-CD1 4.38Å; L103-I206 HydrophobicContact CG-CG1 4.02Å; L103-E210 WeakPolarHBondContact CD2-OE2 3.44Å
104N53.8Low52.3Low46 Ų4662.6 Ų62.625%0.24635%0.35CS..Hα-helixtrans-63.6-35.2176.9-75.4-28.1000112.5S100 M101 L102 L108 M197S100-N104 PolarHBondContact O-N 3.35Å; S100-N104 PolarHBondContact O-ND2 3.18Å; S100-N104 VanDerWaalsContact O-ND2 3.17Å; M101-N104 PolarHBondContact O-N 3.26Å; L102-N104 VanDerWaalsContact C-N 3.34Å; L102-N104 PolarHBondContact O-N 3.11Å; N104-L108 PolarHBondContact O-N 2.94Å; N104-M197 VanDerWaalsContact OD1-CE 3.27Å; N104-M197 WeakPolarHBondContact OD1-CE 3.02Å
105I52Low52.8Low25 Ų2560.1 Ų60.113%0.12834%0.337CS..Hα-helixtrans-80.5-37.4178.5-63.2173.8000111.3M101 L102 L103 C107 L108 L109 F127 I128M101-I105 PolarHBondContact O-N 2.93Å; L102-I105 PolarHBondContact O-N 3.34Å; L103-I105 VanDerWaalsContact C-N 3.29Å; L103-I105 PolarHBondContact O-N 3.1Å; I105-C107 PolarHBondContact O-N 3.49Å; I105-L108 WeakPolarHBondContact O-CB 3.35Å; I105-L108 PolarHBondContact O-N 3.43Å; I105-L109 HydrophobicContact CG2-CD1 3.57Å; I105-L109 HydrophobicContact CG2-CG 4.1Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.96Å; I105-F127 HydrophobicContact CD1-CD1 4.3Å; I105-F127 HydrophobicContact CG2-CD1 4.47Å; I105-I128 HydrophobicContact CD1-CB 4.39Å; I105-I128 HydrophobicContact CD1-CD1 3.38Å; I105-I128 HydrophobicContact CD1-CG1 2.99Å; I105-I128 HydrophobicContact CG1-CG1 4.47Å
106L53.6Low53.8Low34 Ų3461.4 Ų61.418%0.17834%0.344CS..Hα-helixtrans-55.4-42.3170-174.566.6000110.7L102 L103 L108 L109 A110 I117 A120L102-L106 WeakPolarHBondContact O-CB 3.35Å; L102-L106 PolarHBondContact O-N 3.4Å; L103-L106 HydrophobicContact CD1-CD2 4.29Å; L103-L106 PolarHBondContact O-N 2.94Å; L106-L108 VanDerWaalsContact C-N 3.29Å; L106-L108 PolarHBondContact O-N 2.97Å; L106-L109 PolarHBondContact O-N 2.93Å; L106-A110 HydrophobicContact CD1-CB 4.16Å; L106-A110 HydrophobicContact CG-CB 4.4Å; L106-A110 WeakPolarHBondContact O-CB 3.4Å; L106-A110 PolarHBondContact O-N 3.43Å; L106-I117 HydrophobicContact CD1-CG2 4.49Å; L106-I117 HydrophobicContact CD2-CG2 4.12Å; L106-A120 HydrophobicContact CD1-CB 3.3Å
107C54.9Low54.7Low16 Ų1666.5 Ų66.511%0.10837%0.371CS..Hα-helixtrans-63.6-31.6176.3-158.30000113.4L103 I105 P111 F204 I206L103-C107 WeakPolarHBondContact O-CB 3.36Å; L103-C107 PolarHBondContact O-N 3.26Å; I105-C107 PolarHBondContact O-N 3.49Å; C107-P111 WeakPolarHBondContact O-CD 3.25Å; C107-P111 WeakPolarHBondContact O-CG 3.23Å; C107-F204 VanDerWaalsContact SG-CD2 3.55Å; C107-I206 HydrophobicContact CB-CD1 3.65Å; C107-I206 WeakPolarHBondContact SG-CD1 3.48Å
108L52.1Low55.4Low119 Ų11964.1 Ų64.162%0.62336%0.364SS*.Hα-helixtrans-79.1-36.1178.9-130.1117.9000112.4N104 I105 L106N104-L108 PolarHBondContact O-N 2.94Å; I105-L108 WeakPolarHBondContact O-CB 3.35Å; I105-L108 PolarHBondContact O-N 3.43Å; L106-L108 VanDerWaalsContact C-N 3.29Å; L106-L108 PolarHBondContact O-N 2.97Å
109L52.9Low56.2Low45 Ų4564.1 Ų64.124%0.23637%0.366CS..Hα-helixtrans-99.1-37.9-170.7-62.9178.4000113.9I105 L106 P111 A112 A113 I123I105-L109 HydrophobicContact CG2-CD1 3.57Å; I105-L109 HydrophobicContact CG2-CG 4.1Å; I105-L109 WeakPolarHBondContact O-CG 3.36Å; I105-L109 PolarHBondContact O-N 2.96Å; L106-L109 PolarHBondContact O-N 2.93Å; L109-P111 VanDerWaalsContact C-CD 3.42Å; L109-A112 PolarHBondContact O-N 2.95Å; L109-A113 WeakPolarHBondContact O-CB 3.41Å; L109-A113 PolarHBondContact O-N 3.3Å; L109-I123 HydrophobicContact CD1-CB 4.29Å; L109-I123 HydrophobicContact CD1-CG2 3.65Å
110A54.4Low56.9Low27 Ų2759.9 Ų59.922%0.22334%0.338CS..Hα-helixtrans-59.4-39.3-176.900000114.2L106 A112 Y114L106-A110 HydrophobicContact CD1-CB 4.16Å; L106-A110 HydrophobicContact CG-CB 4.4Å; L106-A110 WeakPolarHBondContact O-CB 3.4Å; L106-A110 PolarHBondContact O-N 3.43Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 3.15Å; A110-Y114 PolarHBondContact O-N 2.74Å
111P51.6Low57.2Low66 Ų6663.5 Ų63.543%0.42936%0.355SS..Hα-helixtrans-69.1-30.1179.4-14.127.6000112.8C107 L109 F204C107-P111 WeakPolarHBondContact O-CD 3.25Å; C107-P111 WeakPolarHBondContact O-CG 3.23Å; L109-P111 VanDerWaalsContact C-CD 3.42Å; P111-F204 HydrophobicContact CB-CZ 4.2Å; P111-F204 HydrophobicContact CG-CE1 3.91Å; P111-F204 HydrophobicContact CG-CE2 4.27Å; P111-F204 HydrophobicContact CG-CZ 3.54Å
112A51.5Low57.9Low88 Ų8867.3 Ų67.373%0.72737%0.372SS*.Hα-helixtrans-84-26.3-175.600000112.8L109 A110L109-A112 PolarHBondContact O-N 2.95Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 3.15Å
113A57.9Low58.5Low46 Ų4669.9 Ų69.938%0.3839%0.385SS..Hα-helixtrans-111.8-9.2-166.800000115.2L109 L115L109-A113 WeakPolarHBondContact O-CB 3.41Å; L109-A113 PolarHBondContact O-N 3.3Å; A113-L115 HydrophobicContact CB-CB 4.25Å; A113-L115 HydrophobicContact CB-CD1 3.42Å; A113-L115 VanDerWaalsContact CB-CD1 3.42Å; A113-L115 HydrophobicContact CB-CG 3.61Å; A113-L115 PolarHBondContact O-N 3.45Å
114Y60.9Low58.9Low222 Ų22267.8 Ų67.887%0.87137%0.374SS*.  trans48.333.1-174-78.4-88.4000112.8A110A110-Y114 PolarHBondContact O-N 2.74Å
115L62Low59.3Low60 Ų6069.4 Ų69.431%0.31438%0.379SS..  trans-85.5148.1-174.6-79.1168.7000111.2A113 D119 A120 I123A113-L115 HydrophobicContact CB-CB 4.25Å; A113-L115 HydrophobicContact CB-CD1 3.42Å; A113-L115 VanDerWaalsContact CB-CD1 3.42Å; A113-L115 HydrophobicContact CB-CG 3.61Å; A113-L115 PolarHBondContact O-N 3.45Å; L115-D119 HydrophobicContact CB-CB 4.29Å; L115-D119 HydrophobicContact CD2-CB 4.04Å; L115-A120 HydrophobicContact CB-CB 4.24Å; L115-I123 HydrophobicContact CD1-CD1 3.31Å
116P66.2Low59.8Low71 Ų7170.7 Ų70.746%0.46139%0.39SS..  trans-50.4145.9162.1-22.732.9000110.7S118 D119 A120P116-S118 PolarHBondContact O-N 3.49Å; P116-D119 WeakPolarHBondContact CD-OD2 3.31Å; P116-D119 WeakPolarHBondContact CG-OD2 3.21Å; P116-D119 PolarHBondContact O-N 2.75Å; P116-A120 PolarHBondContact O-N 2.86Å
117I64Low60.1Low126 Ų12674.1 Ų74.165%0.64640%0.404SS*.Hα-helixtrans-56.8-34.5179.5-65.3169.9000111.1L106 M121L106-I117 HydrophobicContact CD1-CG2 4.49Å; L106-I117 HydrophobicContact CD2-CG2 4.12Å; I117-M121 WeakPolarHBondContact O-CB 3.43Å; I117-M121 PolarHBondContact O-N 3.44Å
118S66.7Low60.4Low71 Ų7174.2 Ų74.250%0.49740%0.403SS..Hα-helixtrans-57.4-48.317450.60000112.2P116 M121 E122P116-S118 PolarHBondContact O-N 3.49Å; S118-M121 WeakPolarHBondContact O-CB 3.23Å; S118-M121 PolarHBondContact O-N 3.32Å; S118-E122 PolarHBondContact O-N 2.86Å
119D68.3Low60.9Low62 Ų6274.4 Ų74.433%0.33240%0.397SS..Hα-helixtrans-74.5-39.9-173.5-57.16.4000109.6L115 P116 M121 E122 I123L115-D119 HydrophobicContact CB-CB 4.29Å; L115-D119 HydrophobicContact CD2-CB 4.04Å; P116-D119 WeakPolarHBondContact CD-OD2 3.31Å; P116-D119 WeakPolarHBondContact CG-OD2 3.21Å; P116-D119 PolarHBondContact O-N 2.75Å; D119-M121 PolarHBondContact O-N 2.92Å; D119-E122 PolarHBondContact O-N 3.1Å; D119-I123 VanDerWaalsContact O-CG1 3.23Å; D119-I123 WeakPolarHBondContact O-CG1 3.19Å; D119-I123 PolarHBondContact O-N 2.96Å
120A63.5Low61.3Low0 Ų077 Ų770%041%0.411CS..Hα-helixtrans-67-27.7174.300000112.3L106 L115 P116 G124L106-A120 HydrophobicContact CD1-CB 3.3Å; L115-A120 HydrophobicContact CB-CB 4.24Å; P116-A120 PolarHBondContact O-N 2.86Å; A120-G124 PolarHBondContact O-N 2.8Å
121M60.3Low61.6Low85 Ų8580.7 Ų80.742%0.41942%0.424SS..Hα-helixtrans-72.4-42.4171.5-170.8178.9-174.500111.8L102 I117 S118 D119 G124 K125L102-M121 HydrophobicContact CD1-CE 3.82Å; I117-M121 WeakPolarHBondContact O-CB 3.43Å; I117-M121 PolarHBondContact O-N 3.44Å; S118-M121 WeakPolarHBondContact O-CB 3.23Å; S118-M121 PolarHBondContact O-N 3.32Å; D119-M121 PolarHBondContact O-N 2.92Å; M121-G124 PolarHBondContact O-N 3.43Å; M121-K125 WeakPolarHBondContact O-CB 3.29Å; M121-K125 WeakPolarHBondContact O-CG 3.33Å; M121-K125 PolarHBondContact O-N 3.09Å
122E64.9Low61.9Low142 Ų14279 Ų7966%0.66442%0.416SS*.Hα-helixtrans-63.8-42.5173.7-75.2-170.1169.900112.2S118 D119 G124 K125 S126S118-E122 PolarHBondContact O-N 2.86Å; D119-E122 PolarHBondContact O-N 3.1Å; E122-G124 VanDerWaalsContact C-N 3.32Å; E122-K125 PolarHBondContact O-N 3.2Å; E122-S126 PolarHBondContact O-N 3.13Å; E122-S126 PolarHBondContact O-OG 3.32Å
123I64.2Low62.5Low72 Ų7278.1 Ų78.137%0.36940%0.399SS..Hα-helixtrans-66.1-38.5174.3-61.6170.5000110.2L109 L115 D119 S126 F127L109-I123 HydrophobicContact CD1-CB 4.29Å; L109-I123 HydrophobicContact CD1-CG2 3.65Å; L115-I123 HydrophobicContact CD1-CD1 3.31Å; D119-I123 VanDerWaalsContact O-CG1 3.23Å; D119-I123 WeakPolarHBondContact O-CG1 3.19Å; D119-I123 PolarHBondContact O-N 2.96Å; I123-S126 VanDerWaalsContact CA-OG 3.27Å; I123-S126 WeakPolarHBondContact CA-OG 3.37Å; I123-S126 PolarHBondContact O-N 2.76Å; I123-S126 PolarHBondContact O-OG 2.78Å; I123-F127 VanDerWaalsContact O-CB 3.24Å; I123-F127 WeakPolarHBondContact O-CB 3.49Å; I123-F127 PolarHBondContact O-N 3.24Å
124G61.9Low62.7Low1 Ų179.7 Ų79.71%0.0141%0.407CS..Hα-helixtrans-64.7-43176.700000112.9A120 M121 E122 F127 I128A120-G124 PolarHBondContact O-N 2.8Å; M121-G124 PolarHBondContact O-N 3.43Å; E122-G124 VanDerWaalsContact C-N 3.32Å; G124-F127 PolarHBondContact O-N 3.01Å; G124-I128 WeakPolarHBondContact O-CG1 3.45Å; G124-I128 PolarHBondContact O-N 3.13Å
125K61.8Low62.5Low80 Ų8072.3 Ų72.335%0.34838%0.382SS..Hα-helixtrans-60.1-50.2173.4-76.5-174174.5-162.10111.4L96 L102 M121 E122 F127 I128 Y129L96-K125 HydrophobicContact CD2-CG 4.3Å; L102-K125 HydrophobicContact CD1-CG 4.44Å; L102-K125 HydrophobicContact CD2-CB 4.49Å; L102-K125 HydrophobicContact CD2-CG 3.54Å; M121-K125 WeakPolarHBondContact O-CB 3.29Å; M121-K125 WeakPolarHBondContact O-CG 3.33Å; M121-K125 PolarHBondContact O-N 3.09Å; E122-K125 PolarHBondContact O-N 3.2Å; K125-F127 VanDerWaalsContact C-N 3.31Å; K125-F127 PolarHBondContact O-N 3.46Å; K125-I128 PolarHBondContact O-N 3.4Å; K125-Y129 VanDerWaalsContact O-CB 3.31Å; K125-Y129 WeakPolarHBondContact O-CB 2.95Å; K125-Y129 PolarHBondContact O-N 2.83Å
126S61.5Low62.1Low52 Ų5274.5 Ų74.536%0.36440%0.4SS..Hα-helixtrans-63.3-36.1176.953.30000112.2E122 I123 Y129 D130E122-S126 PolarHBondContact O-N 3.13Å; E122-S126 PolarHBondContact O-OG 3.32Å; I123-S126 VanDerWaalsContact CA-OG 3.27Å; I123-S126 WeakPolarHBondContact CA-OG 3.37Å; I123-S126 PolarHBondContact O-N 2.76Å; I123-S126 PolarHBondContact O-OG 2.78Å; S126-Y129 PolarHBondContact O-N 3.21Å; S126-D130 WeakPolarHBondContact O-CB 3.07Å; S126-D130 PolarHBondContact O-N 3.18Å
127F61.7Low61.8Low105 Ų10571.5 Ų71.546%0.46138%0.382SS..Hα-helixtrans-66.4-41.9175.5-174.3-92.4000112.7I105 I123 G124 K125 Y129 M131I105-F127 HydrophobicContact CD1-CD1 4.3Å; I105-F127 HydrophobicContact CG2-CD1 4.47Å; I123-F127 VanDerWaalsContact O-CB 3.24Å; I123-F127 WeakPolarHBondContact O-CB 3.49Å; I123-F127 PolarHBondContact O-N 3.24Å; G124-F127 PolarHBondContact O-N 3.01Å; K125-F127 VanDerWaalsContact C-N 3.31Å; K125-F127 PolarHBondContact O-N 3.46Å; F127-Y129 VanDerWaalsContact C-N 3.34Å; F127-M131 HydrophobicContact CE1-SD 4.19Å; F127-M131 WeakPolarHBondContact O-CB 3.02Å; F127-M131 PolarHBondContact O-N 2.96Å
128I60Low61.6Low19 Ų1967.1 Ų67.110%0.09736%0.36CS..Hα-helixtrans-61.5-48.3172.3-66.3172.5000109.6L96 M101 L102 I105 G124 K125 D130 M131 A132L96-I128 HydrophobicContact CD2-CB 3.93Å; L96-I128 HydrophobicContact CD2-CD1 3.69Å; L96-I128 HydrophobicContact CD2-CG1 4.37Å; L96-I128 HydrophobicContact CD2-CG2 3.91Å; M101-I128 HydrophobicContact CB-CD1 4.49Å; M101-I128 HydrophobicContact CG-CD1 3.91Å; M101-I128 HydrophobicContact SD-CD1 3.81Å; M101-I128 HydrophobicContact SD-CG1 4.4Å; M101-I128 HydrophobicContact SD-CG2 4.33Å; L102-I128 HydrophobicContact CD2-CD1 3.97Å; I105-I128 HydrophobicContact CD1-CB 4.39Å; I105-I128 HydrophobicContact CD1-CD1 3.38Å; I105-I128 HydrophobicContact CD1-CG1 2.99Å; I105-I128 HydrophobicContact CG1-CG1 4.47Å; G124-I128 WeakPolarHBondContact O-CG1 3.45Å; G124-I128 PolarHBondContact O-N 3.13Å; K125-I128 PolarHBondContact O-N 3.4Å; I128-D130 PolarHBondContact O-N 3.41Å; I128-M131 PolarHBondContact O-N 3.45Å; I128-A132 VanDerWaalsContact O-CB 3.29Å; I128-A132 WeakPolarHBondContact O-CB 3.45Å; I128-A132 PolarHBondContact O-N 3.38Å
129Y62.8Low61.4Low123 Ų12366.6 Ų66.648%0.48235%0.351SS..Hα-helixtrans-60.1-48-177.6-168.4-102000110.8K125 S126 F127 M131 A132 N133K125-Y129 VanDerWaalsContact O-CB 3.31Å; K125-Y129 WeakPolarHBondContact O-CB 2.95Å; K125-Y129 PolarHBondContact O-N 2.83Å; S126-Y129 PolarHBondContact O-N 3.21Å; F127-Y129 VanDerWaalsContact C-N 3.34Å; Y129-M131 PolarHBondContact O-N 3.14Å; Y129-A132 PolarHBondContact O-N 2.97Å; Y129-N133 WeakPolarHBondContact CD1-ND2 3.16Å; Y129-N133 WeakPolarHBondContact CE1-ND2 3.4Å; Y129-N133 VanDerWaalsContact CZ-ND2 3.3Å; Y129-N133 VanDerWaalsContact O-CB 3.23Å; Y129-N133 WeakPolarHBondContact O-CB 3.4Å; Y129-N133 PolarHBondContact O-N 3.43Å; Y129-N133 PolarHBondContact O-ND2 3.19Å; Y129-N133 VanDerWaalsContact O-ND2 3.1Å
130D62.1Low61.2Low100 Ų10065.2 Ų65.254%0.53534%0.343SS..Hα-helixtrans-65-39.2176.1-72.3-13.9000111.5S126 I128 N133 S134S126-D130 WeakPolarHBondContact O-CB 3.07Å; S126-D130 PolarHBondContact O-N 3.18Å; I128-D130 PolarHBondContact O-N 3.41Å; D130-N133 CarbonylContact O-C 3.59Å; D130-S134 WeakPolarHBondContact O-CA 3.07Å; D130-S134 WeakPolarHBondContact O-CB 3.2Å; D130-S134 PolarHBondContact O-N 3.5Å; D130-S134 PolarHBondContact O-OG 3.06Å
131M60Low61.1Low103 Ų10365.3 Ų65.351%0.50734%0.344SS..Hα-helixtrans-69.9-41.8178.4-167.4-178.577.500111.6F127 I128 Y129 S134 I135F127-M131 HydrophobicContact CE1-SD 4.19Å; F127-M131 WeakPolarHBondContact O-CB 3.02Å; F127-M131 PolarHBondContact O-N 2.96Å; I128-M131 PolarHBondContact O-N 3.45Å; Y129-M131 PolarHBondContact O-N 3.14Å; M131-S134 WeakPolarHBondContact CA-OG 3.33Å; M131-S134 PolarHBondContact O-N 3.49Å; M131-S134 PolarHBondContact O-OG 2.74Å; M131-I135 PolarHBondContact O-N 3.25Å
132A58.6Low61.2Low31 Ų3163.6 Ų63.626%0.25634%0.335SS..Hα-helixtrans-59.6-55.4172.800000109.3I128 Y129 S134 I135 I138I128-A132 VanDerWaalsContact O-CB 3.29Å; I128-A132 WeakPolarHBondContact O-CB 3.45Å; I128-A132 PolarHBondContact O-N 3.38Å; Y129-A132 PolarHBondContact O-N 2.97Å; A132-S134 PolarHBondContact O-N 3.32Å; A132-S134 VanDerWaalsContact O-N 3.15Å; A132-I135 WeakPolarHBondContact O-CB 3.49Å; A132-I135 PolarHBondContact O-N 3.14Å; A132-I138 HydrophobicContact CB-CD1 4.21Å; A132-I138 WeakPolarHBondContact O-CG2 3.13Å
133N63Low61.1Low70 Ų7056.9 Ų56.937%0.37430%0.304SS..Hα-helixtrans-63.2-21.9178-67.2-25.3000113.6Y129 D130 I135Y129-N133 WeakPolarHBondContact CD1-ND2 3.16Å; Y129-N133 WeakPolarHBondContact CE1-ND2 3.4Å; Y129-N133 VanDerWaalsContact CZ-ND2 3.3Å; Y129-N133 VanDerWaalsContact O-CB 3.23Å; Y129-N133 WeakPolarHBondContact O-CB 3.4Å; Y129-N133 PolarHBondContact O-N 3.43Å; Y129-N133 PolarHBondContact O-ND2 3.19Å; Y129-N133 VanDerWaalsContact O-ND2 3.1Å; D130-N133 CarbonylContact O-C 3.59Å; N133-I135 PolarHBondContact O-N 2.9Å
134S61.6Low61.3Low78 Ų7853.8 Ų53.855%0.54529%0.288SS..THydrogen-bonded Turntrans-74.1-15174.777.90000113.2D130 M131 A132 P136D130-S134 WeakPolarHBondContact O-CA 3.07Å; D130-S134 WeakPolarHBondContact O-CB 3.2Å; D130-S134 PolarHBondContact O-N 3.5Å; D130-S134 PolarHBondContact O-OG 3.06Å; M131-S134 WeakPolarHBondContact CA-OG 3.33Å; M131-S134 PolarHBondContact O-N 3.49Å; M131-S134 PolarHBondContact O-OG 2.74Å; A132-S134 PolarHBondContact O-N 3.32Å; A132-S134 VanDerWaalsContact O-N 3.15Å; S134-P136 WeakPolarHBondContact O-CD 3.23Å
135I57.5Low61.5Low67 Ų6755.5 Ų55.534%0.34430%0.302SS..SBendtrans-85.4101.7172.3-62.4170.1000107.1M131 A132 N133 G137 I138M131-I135 PolarHBondContact O-N 3.25Å; A132-I135 WeakPolarHBondContact O-CB 3.49Å; A132-I135 PolarHBondContact O-N 3.14Å; N133-I135 PolarHBondContact O-N 2.9Å; I135-G137 PolarHBondContact O-N 3.05Å; I135-I138 HydrophobicContact CB-CB 4.12Å; I135-I138 HydrophobicContact CB-CD1 4.19Å; I135-I138 HydrophobicContact CD1-CD1 3.99Å; I135-I138 HydrophobicContact CG2-CB 4.17Å; I135-I138 WeakPolarHBondContact O-CB 3.39Å; I135-I138 PolarHBondContact O-N 3.43Å; I135-I138 VanDerWaalsContact O-N 3.13Å
136P54.1Low61.7Low106 Ų10653.4 Ų53.469%0.68829%0.293SS*.THydrogen-bonded Turntrans-62.5125.8-179.926.3-34.3000109.7S134S134-P136 WeakPolarHBondContact O-CD 3.23Å
137G59.3Low62.2Low9 Ų950.9 Ų50.99%0.09328%0.276CS..THydrogen-bonded Turntrans94.13.9-17900000115I135 D139 E140 A141I135-G137 PolarHBondContact O-N 3.05Å; G137-D139 VanDerWaalsContact C-N 3.26Å; G137-D139 PolarHBondContact O-N 2.95Å; G137-E140 WeakPolarHBondContact CA-OE2 3.27Å; G137-A141 WeakPolarHBondContact O-CB 3.49Å; G137-A141 PolarHBondContact O-N 3.34Å
138I60.8Low62.7Low33 Ų3346.7 Ų46.717%0.16926%0.258CS..Hα-helixtrans-66.5-29.6179.3-160.6160.5000112.3A132 I135 A141 M142A132-I138 HydrophobicContact CB-CD1 4.21Å; A132-I138 WeakPolarHBondContact O-CG2 3.13Å; I135-I138 HydrophobicContact CB-CB 4.12Å; I135-I138 HydrophobicContact CB-CD1 4.19Å; I135-I138 HydrophobicContact CD1-CD1 3.99Å; I135-I138 HydrophobicContact CG2-CB 4.17Å; I135-I138 WeakPolarHBondContact O-CB 3.39Å; I135-I138 PolarHBondContact O-N 3.43Å; I135-I138 VanDerWaalsContact O-N 3.13Å; I138-A141 HydrophobicContact CG1-CB 4.49Å; I138-A141 WeakPolarHBondContact O-CB 3.35Å; I138-A141 PolarHBondContact O-N 3.32Å; I138-M142 HydrophobicContact CG1-CG 4.04Å; I138-M142 WeakPolarHBondContact O-CB 3.33Å; I138-M142 WeakPolarHBondContact O-CG 3.49Å; I138-M142 PolarHBondContact O-N 3.07Å
139D61.8Low63.2Low60 Ų6052.6 Ų52.632%0.32128%0.283SS..Hα-helixtrans-67.8-48.3-178.5-63.5-29.3000110.1T88 G137 A141 M142 S143T88-D139 VanDerWaalsContact CG2-CA 3.4Å; T88-D139 HydrophobicContact CG2-CB 3.58Å; T88-D139 WeakPolarHBondContact CG2-OD1 3.45Å; G137-D139 VanDerWaalsContact C-N 3.26Å; G137-D139 PolarHBondContact O-N 2.95Å; D139-A141 PolarHBondContact O-N 3.43Å; D139-M142 PolarHBondContact O-N 3.47Å; D139-S143 PolarHBondContact O-N 3.34Å; D139-S143 VanDerWaalsContact O-N 3.14Å; D139-S143 PolarHBondContact O-OG 3.07Å
140E63.7Low63.5Low33 Ų3349.8 Ų49.815%0.15428%0.276CS..Hα-helixtrans-63.5-31.5172.5-57.997.2140.300112G137 S143 F144 H168 L172G137-E140 WeakPolarHBondContact CA-OE2 3.27Å; E140-S143 PolarHBondContact O-OG 2.91Å; E140-F144 WeakPolarHBondContact O-CB 3.34Å; E140-F144 PolarHBondContact O-N 3.07Å; E140-F144 VanDerWaalsContact O-N 3.12Å; E140-H168 IonicContact OE1-CE1 2.75Å; E140-H168 IonicContact OE1-CG 2.79Å; E140-H168 IonicContact OE1-ND1 2.78Å; E140-H168 PolarHBondContact OE1-ND1 2.94Å; E140-L172 HydrophobicContact CB-CB 4.42Å; E140-L172 HydrophobicContact CB-CD1 4.26Å; E140-L172 WeakPolarHBondContact O-CD1 3.37Å
141A61.9Low63.9Low2 Ų245.4 Ų45.42%0.01725%0.253CS..Hα-helixtrans-61-50.3176.100000113.6G137 I138 D139 F144 A145 L175G137-A141 WeakPolarHBondContact O-CB 3.49Å; G137-A141 PolarHBondContact O-N 3.34Å; I138-A141 HydrophobicContact CG1-CB 4.49Å; I138-A141 WeakPolarHBondContact O-CB 3.35Å; I138-A141 PolarHBondContact O-N 3.32Å; D139-A141 PolarHBondContact O-N 3.43Å; A141-F144 PolarHBondContact O-N 2.89Å; A141-A145 WeakPolarHBondContact O-CB 2.92Å; A141-A145 PolarHBondContact O-N 2.97Å; A141-L175 HydrophobicContact CB-CD1 2.98Å; A141-L175 HydrophobicContact CB-CD2 3.41Å; A141-L175 VanDerWaalsContact CB-CD2 3.41Å; A141-L175 HydrophobicContact CB-CG 3.65Å
142M62.1Low64.4Low49 Ų4943 Ų4324%0.24125%0.254CS..Hα-helixtrans-75.6-42.6-169.5-70.2-63-65.800109W91 I138 D139 F144 A145 E146W91-M142 HydrophobicContact CB-CE 4.1Å; W91-M142 HydrophobicContact CD2-CE 3.42Å; W91-M142 VanDerWaalsContact CD2-CE 3.42Å; W91-M142 HydrophobicContact CE3-CE 3.04Å; W91-M142 HydrophobicContact CG-CE 3.92Å; W91-M142 HydrophobicContact CH2-CE 4.21Å; W91-M142 HydrophobicContact CZ3-CE 3.48Å; W91-M142 VanDerWaalsContact CZ3-CE 3.48Å; I138-M142 HydrophobicContact CG1-CG 4.04Å; I138-M142 WeakPolarHBondContact O-CB 3.33Å; I138-M142 WeakPolarHBondContact O-CG 3.49Å; I138-M142 PolarHBondContact O-N 3.07Å; D139-M142 PolarHBondContact O-N 3.47Å; M142-F144 VanDerWaalsContact C-N 3.27Å; M142-F144 PolarHBondContact O-N 2.97Å; M142-A145 PolarHBondContact O-N 2.85Å; M142-E146 PolarHBondContact O-N 2.95Å
143S63.6Low64.9Low2 Ų247.8 Ų47.81%0.01428%0.276CS..Hα-helixtrans-57.4-46.1171.769.20000110.5E87 D139 E140 A145 E146 V147E87-S143 WeakPolarHBondContact OE2-CA 3.47Å; E87-S143 WeakPolarHBondContact OE2-CB 3.47Å; D139-S143 PolarHBondContact O-N 3.34Å; D139-S143 VanDerWaalsContact O-N 3.14Å; D139-S143 PolarHBondContact O-OG 3.07Å; E140-S143 PolarHBondContact O-OG 2.91Å; S143-A145 PolarHBondContact O-N 3.37Å; S143-E146 WeakPolarHBondContact O-CB 3.11Å; S143-E146 PolarHBondContact O-N 2.93Å; S143-V147 WeakPolarHBondContact O-CG2 3.46Å; S143-V147 PolarHBondContact O-N 3.01Å
144F67.6Low65.3Low7 Ų747.7 Ų47.73%0.03127%0.274CS..Hα-helixtrans-59.8-44.2176.4-167-113.8000114F18 E140 A141 M142 E146 V147 L148 F161 L172 F232F18-F144 HydrophobicContact CE1-CE2 4.13Å; F18-F144 HydrophobicContact CE1-CZ 4.08Å; F18-F144 HydrophobicContact CZ-CE2 4.46Å; F18-F144 HydrophobicContact CZ-CZ 4.01Å; E140-F144 WeakPolarHBondContact O-CB 3.34Å; E140-F144 PolarHBondContact O-N 3.07Å; E140-F144 VanDerWaalsContact O-N 3.12Å; A141-F144 PolarHBondContact O-N 2.89Å; M142-F144 VanDerWaalsContact C-N 3.27Å; M142-F144 PolarHBondContact O-N 2.97Å; F144-E146 VanDerWaalsContact C-N 3.32Å; F144-E146 PolarHBondContact O-N 2.74Å; F144-V147 WeakPolarHBondContact O-CB 3.32Å; F144-V147 PolarHBondContact O-N 3.16Å; F144-L148 HydrophobicContact CD1-CD1 3.71Å; F144-L148 HydrophobicContact CD1-CG 4.24Å; F144-L148 HydrophobicContact CE1-CD1 3.32Å; F144-L148 HydrophobicContact CE1-CD2 4.45Å; F144-L148 HydrophobicContact CE1-CG 3.97Å; F144-L148 HydrophobicContact CZ-CD1 3.89Å; F144-L148 HydrophobicContact CZ-CD2 4.19Å; F144-L148 HydrophobicContact CZ-CG 4.13Å; F144-L148 WeakPolarHBondContact O-CG 3.2Å; F144-L148 PolarHBondContact O-N 3.3Å; F144-F161 HydrophobicContact CD2-CE1 4.02Å; F144-F161 HydrophobicContact CD2-CZ 4.39Å; F144-F161 AromaticContact CE2-CD1 3.97Å; F144-F161 HydrophobicContact CE2-CD1 3.97Å; F144-F161 AromaticContact CE2-CE1 3.48Å; F144-F161 HydrophobicContact CE2-CE1 3.48Å; F144-F161 VanDerWaalsContact CE2-CE1 3.48Å; F144-F161 HydrophobicContact CE2-CE2 4.07Å; F144-F161 HydrophobicContact CE2-CG 4.46Å; F144-F161 AromaticContact CE2-CZ 3.54Å; F144-F161 HydrophobicContact CE2-CZ 3.54Å; F144-F161 HydrophobicContact CZ-CE2 4.42Å; F144-F161 HydrophobicContact CZ-CZ 4.18Å; F144-L172 HydrophobicContact CB-CD1 3.61Å; F144-L172 HydrophobicContact CB-CD2 4.43Å; F144-L172 HydrophobicContact CB-CG 3.83Å; F144-L172 HydrophobicContact CD1-CD2 4.03Å; F144-L172 HydrophobicContact CD1-CG 4.12Å; F144-L172 HydrophobicContact CD2-CD1 3.75Å; F144-L172 HydrophobicContact CD2-CD2 3.6Å; F144-L172 HydrophobicContact CD2-CG 3.91Å; F144-L172 HydrophobicContact CE1-CD2 4.08Å; F144-L172 HydrophobicContact CE2-CD2 3.67Å; F144-L172 HydrophobicContact CE2-CG 4.47Å; F144-L172 HydrophobicContact CG-CD1 3.78Å; F144-L172 HydrophobicContact CG-CD2 3.76Å; F144-L172 HydrophobicContact CG-CG 3.69Å; F144-L172 HydrophobicContact CZ-CD2 3.89Å; F144-F232 AromaticContact CE1-CE2 3.5Å; F144-F232 HydrophobicContact CE1-CE2 3.5Å; F144-F232 AromaticContact CE1-CZ 3.66Å; F144-F232 HydrophobicContact CE1-CZ 3.66Å; F144-F232 AromaticContact CZ-CE2 3.54Å; F144-F232 HydrophobicContact CZ-CE2 3.54Å; F144-F232 AromaticContact CZ-CZ 3.42Å; F144-F232 HydrophobicContact CZ-CZ 3.42Å; F144-F232 VanDerWaalsContact CZ-CZ 3.42Å
145A66.8Low66.3Low37 Ų3750.7 Ų50.731%0.30628%0.284SS..Hα-helixtrans-63.5-38.7176.600000111.8A141 M142 S143 L148 K149A141-A145 WeakPolarHBondContact O-CB 2.92Å; A141-A145 PolarHBondContact O-N 2.97Å; M142-A145 PolarHBondContact O-N 2.85Å; S143-A145 PolarHBondContact O-N 3.37Å; A145-L148 PolarHBondContact O-N 2.66Å; A145-K149 WeakPolarHBondContact O-CB 3.12Å; A145-K149 PolarHBondContact O-N 3.43Å
146E66.1Low67.9Low35 Ų3549.2 Ų49.216%0.16428%0.275CS..Hα-helixtrans-63-45.9172.9-174.7170179.600111.1W91 M142 S143 F144 L148 K149 L150W91-E146 HydrophobicContact CZ2-CB 4.13Å; W91-E146 PolarHBondContact NE1-OE2 3.07Å; M142-E146 PolarHBondContact O-N 2.95Å; S143-E146 WeakPolarHBondContact O-CB 3.11Å; S143-E146 PolarHBondContact O-N 2.93Å; F144-E146 VanDerWaalsContact C-N 3.32Å; F144-E146 PolarHBondContact O-N 2.74Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 2.85Å; E146-K149 WeakPolarHBondContact O-CB 3.2Å; E146-K149 PolarHBondContact O-N 3.38Å; E146-L150 HydrophobicContact CG-CD1 4.11Å; E146-L150 HydrophobicContact CG-CG 4.44Å; E146-L150 WeakPolarHBondContact O-CG 3.46Å; E146-L150 PolarHBondContact O-N 3.38Å
147V70.2Confident69.8Low0 Ų046.7 Ų46.70%026%0.256CS..Hα-helixtrans-56.3-49.8174.7-163.50000110.6V48 M80 I82 S143 F144 K149 L150 I151 F161V48-V147 HydrophobicContact CG1-CG1 3.76Å; V48-V147 HydrophobicContact CG2-CG1 4.1Å; M80-V147 HydrophobicContact CE-CG1 4.22Å; M80-V147 HydrophobicContact SD-CG1 4.21Å; I82-V147 HydrophobicContact CD1-CB 3.9Å; I82-V147 HydrophobicContact CD1-CG1 3.64Å; I82-V147 HydrophobicContact CD1-CG2 3.14Å; I82-V147 HydrophobicContact CG1-CG2 4.41Å; I82-V147 HydrophobicContact CG2-CG2 4.45Å; S143-V147 WeakPolarHBondContact O-CG2 3.46Å; S143-V147 PolarHBondContact O-N 3.01Å; F144-V147 WeakPolarHBondContact O-CB 3.32Å; F144-V147 PolarHBondContact O-N 3.16Å; V147-K149 VanDerWaalsContact C-N 3.27Å; V147-K149 PolarHBondContact O-N 3.35Å; V147-L150 PolarHBondContact O-N 3.49Å; V147-I151 HydrophobicContact CG1-CD1 3.49Å; V147-I151 VanDerWaalsContact CG1-CD1 3.49Å; V147-I151 HydrophobicContact CG1-CG1 4.06Å; V147-I151 WeakPolarHBondContact O-CB 3.32Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.09Å; V147-F161 HydrophobicContact CG1-CE1 4.01Å; V147-F161 HydrophobicContact CG1-CZ 4.41Å
148L72.9Confident71.4Confident16 Ų1646.3 Ų46.38%0.08425%0.251CS..Hα-helixtrans-64.2-35.7-177-71.5-179.3000112W16 F144 A145 E146 G152 F161 I228 F232W16-L148 HydrophobicContact CE3-CD2 4.46Å; W16-L148 HydrophobicContact CH2-CD2 3.55Å; W16-L148 HydrophobicContact CZ2-CD2 4.26Å; W16-L148 HydrophobicContact CZ3-CD2 3.67Å; F144-L148 HydrophobicContact CD1-CD1 3.71Å; F144-L148 HydrophobicContact CD1-CG 4.24Å; F144-L148 HydrophobicContact CE1-CD1 3.32Å; F144-L148 HydrophobicContact CE1-CD2 4.45Å; F144-L148 HydrophobicContact CE1-CG 3.97Å; F144-L148 HydrophobicContact CZ-CD1 3.89Å; F144-L148 HydrophobicContact CZ-CD2 4.19Å; F144-L148 HydrophobicContact CZ-CG 4.13Å; F144-L148 WeakPolarHBondContact O-CG 3.2Å; F144-L148 PolarHBondContact O-N 3.3Å; A145-L148 PolarHBondContact O-N 2.66Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 2.85Å; L148-G152 PolarHBondContact O-N 3.35Å; L148-F161 HydrophobicContact CD2-CZ 4.06Å; L148-I228 HydrophobicContact CB-CD1 4.29Å; L148-I228 HydrophobicContact CD1-CB 4.3Å; L148-I228 HydrophobicContact CD1-CD1 3.39Å; L148-I228 HydrophobicContact CD1-CG1 3.77Å; L148-I228 HydrophobicContact CD1-CG2 3.54Å; L148-I228 HydrophobicContact CG-CD1 4.49Å; L148-F232 HydrophobicContact CD1-CZ 4.28Å; L148-F232 HydrophobicContact CD2-CZ 4.43Å
149K69.7Low73Confident143 Ų14344.9 Ų44.962%0.62224%0.244SC*.Hα-helixtrans-65.2-48.6173.6-174.3-176.7176.3-1710111.2A145 E146 V147 I151 G152A145-K149 WeakPolarHBondContact O-CB 3.12Å; A145-K149 PolarHBondContact O-N 3.43Å; E146-K149 WeakPolarHBondContact O-CB 3.2Å; E146-K149 PolarHBondContact O-N 3.38Å; V147-K149 VanDerWaalsContact C-N 3.27Å; V147-K149 PolarHBondContact O-N 3.35Å; K149-I151 PolarHBondContact O-N 3.33Å; K149-G152 PolarHBondContact O-N 3.22Å
150L69.7Low74.5Confident65 Ų6542 Ų4234%0.3423%0.229SC..Hα-helixtrans-56.9-51.8176.7-71.2169.1000110.2M80 E146 V147 G152 D153 M154M80-L150 HydrophobicContact CE-CD1 4.13Å; E146-L150 HydrophobicContact CG-CD1 4.11Å; E146-L150 HydrophobicContact CG-CG 4.44Å; E146-L150 WeakPolarHBondContact O-CG 3.46Å; E146-L150 PolarHBondContact O-N 3.38Å; V147-L150 PolarHBondContact O-N 3.49Å; L150-G152 VanDerWaalsContact C-N 3.34Å; L150-G152 PolarHBondContact O-N 3.37Å; L150-D153 PolarHBondContact O-N 2.95Å; L150-M154 HydrophobicContact CB-CE 4.09Å; L150-M154 WeakPolarHBondContact O-CE 3.43Å
151I71.5Confident75.9Confident8 Ų840.5 Ų40.54%0.04122%0.222CC..Hα-helixtrans-62.8-39.8-177.8-69.8177.4000112.2W16 L46 V48 V147 K149 D153 M154 V159 F161W16-I151 HydrophobicContact CH2-CG2 3.78Å; W16-I151 HydrophobicContact CZ3-CD1 4.33Å; W16-I151 HydrophobicContact CZ3-CG2 3.98Å; L46-I151 HydrophobicContact CD2-CD1 3.67Å; L46-I151 HydrophobicContact CD2-CG1 3.58Å; V48-I151 HydrophobicContact CG2-CD1 3.9Å; V147-I151 HydrophobicContact CG1-CD1 3.49Å; V147-I151 VanDerWaalsContact CG1-CD1 3.49Å; V147-I151 HydrophobicContact CG1-CG1 4.06Å; V147-I151 WeakPolarHBondContact O-CB 3.32Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.09Å; K149-I151 PolarHBondContact O-N 3.33Å; I151-D153 PolarHBondContact O-N 3.37Å; I151-D153 VanDerWaalsContact O-N 3.14Å; I151-M154 HydrophobicContact CG1-CE 4.37Å; I151-M154 PolarHBondContact O-N 3.14Å; I151-V159 HydrophobicContact CD1-CG1 3.65Å; I151-V159 HydrophobicContact CD1-CG2 4.16Å; I151-V159 HydrophobicContact CG2-CG2 3.68Å; I151-F161 HydrophobicContact CD1-CZ 4.19Å
152G69.3Low77.3Confident52 Ų5240.4 Ų40.454%0.53622%0.221SC..Hα-helixtrans-54.3-31.9178.300000112.7L148 K149 L150L148-G152 PolarHBondContact O-N 3.35Å; K149-G152 PolarHBondContact O-N 3.22Å; L150-G152 VanDerWaalsContact C-N 3.34Å; L150-G152 PolarHBondContact O-N 3.37Å
153D69.4Low78.3Confident132 Ų13238.3 Ų38.371%0.70621%0.211SC*.Hα-helixtrans-82.5-17.5178.3-66.9-23000113.5L150 I151L150-D153 PolarHBondContact O-N 2.95Å; I151-D153 PolarHBondContact O-N 3.37Å; I151-D153 VanDerWaalsContact O-N 3.14Å
154M70.6Confident79Confident67 Ų6738.9 Ų38.933%0.3322%0.216SC..Hα-helixtrans-101.2-1.1-168.6-66.1-174.6-68.400115.7P68 L150 I151 F156P68-M154 HydrophobicContact CB-SD 4.3Å; P68-M154 HydrophobicContact CG-CE 3.34Å; P68-M154 HydrophobicContact CG-SD 3.56Å; P68-M154 VanDerWaalsContact CG-SD 3.56Å; L150-M154 HydrophobicContact CB-CE 4.09Å; L150-M154 WeakPolarHBondContact O-CE 3.43Å; I151-M154 HydrophobicContact CG1-CE 4.37Å; I151-M154 PolarHBondContact O-N 3.14Å; M154-F156 VanDerWaalsContact C-N 3.35Å; M154-F156 HydrophobicContact CB-CD2 3.77Å; M154-F156 HydrophobicContact CB-CE2 3.45Å; M154-F156 VanDerWaalsContact CB-CE2 3.45Å; M154-F156 HydrophobicContact CB-CZ 4.38Å; M154-F156 HydrophobicContact CE-CE2 4.05Å; M154-F156 HydrophobicContact CG-CE2 4.35Å; M154-F156 PolarHBondContact O-N 2.98Å; M154-F156 HydrophobicContact SD-CE2 4.13Å
155N83.4Confident79.1Confident141 Ų14141 Ų4175%0.75423%0.23SC*.THydrogen-bonded Turntrans47.746.4172.8-65-46.1000115
156F91.1Very high78.8Confident36 Ų3639.7 Ų39.716%0.15822%0.219CC..  trans-71.6140.2170.8-70.8-74.5000111.4S44 L46 P68 Y78 M154 V159S44-F156 WeakPolarHBondContact OG-CA 3.41Å; L46-F156 HydrophobicContact CB-CB 4.32Å; L46-F156 HydrophobicContact CB-CD1 3.87Å; L46-F156 HydrophobicContact CB-CD2 3.88Å; L46-F156 HydrophobicContact CB-CE1 4.15Å; L46-F156 HydrophobicContact CB-CE2 4.13Å; L46-F156 HydrophobicContact CB-CG 3.74Å; L46-F156 HydrophobicContact CB-CZ 4.27Å; L46-F156 HydrophobicContact CD1-CE2 4.35Å; L46-F156 HydrophobicContact CD1-CZ 4.34Å; L46-F156 HydrophobicContact CD2-CD2 3.7Å; L46-F156 HydrophobicContact CD2-CE2 3.74Å; L46-F156 HydrophobicContact CD2-CG 4.4Å; L46-F156 HydrophobicContact CD2-CZ 4.48Å; L46-F156 HydrophobicContact CG-CD2 4.35Å; L46-F156 HydrophobicContact CG-CE2 4.3Å; P68-F156 HydrophobicContact CB-CZ 4.25Å; P68-F156 HydrophobicContact CG-CE2 4.49Å; Y78-F156 HydrophobicContact CD1-CZ 4.49Å; Y78-F156 HydrophobicContact CD2-CD1 4.4Å; Y78-F156 AromaticContact CD2-CE1 3.45Å; Y78-F156 HydrophobicContact CD2-CE1 3.45Å; Y78-F156 VanDerWaalsContact CD2-CE1 3.45Å; Y78-F156 HydrophobicContact CD2-CZ 4.17Å; Y78-F156 AromaticContact CE2-CE1 3.99Å; Y78-F156 HydrophobicContact CE2-CE1 3.99Å; Y78-F156 AromaticContact CG-CE1 3.74Å; Y78-F156 HydrophobicContact CG-CE1 3.74Å; Y78-F156 AromaticContact CG-CZ 4Å; Y78-F156 HydrophobicContact CG-CZ 4Å; M154-F156 VanDerWaalsContact C-N 3.35Å; M154-F156 HydrophobicContact CB-CD2 3.77Å; M154-F156 HydrophobicContact CB-CE2 3.45Å; M154-F156 VanDerWaalsContact CB-CE2 3.45Å; M154-F156 HydrophobicContact CB-CZ 4.38Å; M154-F156 HydrophobicContact CE-CE2 4.05Å; M154-F156 HydrophobicContact CG-CE2 4.35Å; M154-F156 PolarHBondContact O-N 2.98Å; M154-F156 HydrophobicContact SD-CE2 4.13Å; F156-V159 HydrophobicContact CB-CG2 4.16Å
157D93.2Very high78.5Confident54 Ų5440.1 Ų40.129%0.28923%0.232SC..SBendtrans-68.9-37.9177.2-17734.1000111.2R42 S44R42-D157 VanDerWaalsContact CB-OD2 3.29Å; R42-D157 WeakPolarHBondContact CB-OD2 3.3Å; R42-D157 VanDerWaalsContact CD-OD2 3.27Å; R42-D157 WeakPolarHBondContact CD-OD2 3.49Å; R42-D157 IonicContact CZ-OD2 2.75Å; R42-D157 IonicContact NE-OD2 2.55Å; R42-D157 IonicContact NH1-OD1 3.67Å; R42-D157 PolarHBondContact NH1-OD1 2.97Å; R42-D157 VanDerWaalsContact NH1-OD1 3.14Å; R42-D157 IonicContact NH1-OD2 2.73Å; R42-D157 PolarHBondContact NH1-OD2 2.87Å; S44-D157 WeakPolarHBondContact O-CB 3.35Å; S44-D157 PolarHBondContact O-N 3.43Å; S44-D157 VanDerWaalsContact O-N 3.15Å; S44-D157 PolarHBondContact OG-N 2.95Å
158V94.6Very high78.2Confident0 Ų044.2 Ų44.20%025%0.251CS..EExtended strand (participates in β ladder)trans-146.4144.5173.469.20000112.1I17 L38 R42 S44 V45 L46I17-V158 HydrophobicContact CD1-CG2 3.62Å; I17-V158 HydrophobicContact CG1-CG2 4.04Å; L38-V158 HydrophobicContact CB-CG1 4.46Å; L38-V158 HydrophobicContact CD1-CG1 4.31Å; R42-V158 HydrophobicContact CB-CG1 4.3Å; R42-V158 HydrophobicContact CG-CG1 3.85Å; S44-V158 PolarHBondContact O-N 3.3Å; V45-V158 HydrophobicContact CB-CG1 4.3Å; V45-V158 HydrophobicContact CG1-CG1 4.09Å; V45-V158 HydrophobicContact CG2-CG1 3.87Å; L46-V158 PolarHBondContact N-O 2.89Å
159V93.4Very high77.8Confident3 Ų343.7 Ų43.72%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-120.8132.1177.1-178.90000109.9Q15 W16 I17 L46 V48 I151 F156 F161Q15-V159 PolarHBondContact O-N 3.4Å; W16-V159 HydrophobicContact CE3-CB 3.71Å; W16-V159 HydrophobicContact CE3-CG1 4.17Å; W16-V159 HydrophobicContact CE3-CG2 4.13Å; W16-V159 HydrophobicContact CZ3-CB 3.78Å; W16-V159 HydrophobicContact CZ3-CG1 4.04Å; W16-V159 HydrophobicContact CZ3-CG2 3.79Å; I17-V159 PolarHBondContact N-O 3.23Å; L46-V159 HydrophobicContact CB-CG2 4.35Å; L46-V159 HydrophobicContact CD2-CG1 4.39Å; L46-V159 HydrophobicContact CD2-CG2 4.41Å; L46-V159 CarbonylContact O-C 3.59Å; L46-V159 WeakPolarHBondContact O-CA 3.48Å; V48-V159 HydrophobicContact CG2-CG1 3.84Å; I151-V159 HydrophobicContact CD1-CG1 3.65Å; I151-V159 HydrophobicContact CD1-CG2 4.16Å; I151-V159 HydrophobicContact CG2-CG2 3.68Å; F156-V159 HydrophobicContact CB-CG2 4.16Å; V159-F161 HydrophobicContact CG1-CD2 4.14Å; V159-F161 HydrophobicContact CG1-CE2 3.76Å; V159-F161 HydrophobicContact CG1-CZ 4.03Å
160I94.5Very high77.6Confident0 Ų038.1 Ų38.10%023%0.225CC..EExtended strand (participates in β ladder)trans-111.8120.8178.4-56.9155.2000108.2I17 V19 A35 L38 V45 L46 I47 V48I17-I160 HydrophobicContact CB-CG1 4.3Å; I17-I160 HydrophobicContact CD1-CG1 4.49Å; I17-I160 CarbonylContact O-C 3.57Å; I17-I160 VanDerWaalsContact O-CA 3.25Å; I17-I160 WeakPolarHBondContact O-CA 3.41Å; V19-I160 HydrophobicContact CG2-CG2 4Å; A35-I160 HydrophobicContact CB-CD1 3.33Å; L38-I160 HydrophobicContact CD1-CD1 3.63Å; L38-I160 HydrophobicContact CD1-CG1 4.05Å; V45-I160 HydrophobicContact CG1-CD1 3.74Å; L46-I160 PolarHBondContact O-N 3.2Å; I47-I160 CarbonylContact C-O 3.5Å; I47-I160 WeakPolarHBondContact CA-O 3.44Å; I47-I160 HydrophobicContact CG1-CB 4.43Å; I47-I160 HydrophobicContact CG1-CG2 4.46Å; V48-I160 PolarHBondContact N-O 2.74Å
161F91.3Very high77.2Confident1 Ų140.6 Ų40.60%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-96.2113.1174.4-74.4-81.4000109.9W16 I17 F18 V19 V48 F144 V147 L148 I151 V159 T163W16-F161 AromaticContact CE3-CE2 3.6Å; W16-F161 HydrophobicContact CE3-CE2 3.6Å; W16-F161 HydrophobicContact CE3-CZ 4.4Å; W16-F161 AromaticContact CZ3-CE2 3.83Å; W16-F161 HydrophobicContact CZ3-CE2 3.83Å; W16-F161 HydrophobicContact CZ3-CZ 4.18Å; I17-F161 PolarHBondContact O-N 2.95Å; F18-F161 HydrophobicContact CD1-CB 3.57Å; F18-F161 AromaticContact CD1-CD2 3.98Å; F18-F161 HydrophobicContact CD1-CD2 3.98Å; F18-F161 AromaticContact CD1-CG 4Å; F18-F161 HydrophobicContact CD1-CG 4Å; F18-F161 HydrophobicContact CE1-CB 3.82Å; F18-F161 AromaticContact CE1-CD2 3.47Å; F18-F161 HydrophobicContact CE1-CD2 3.47Å; F18-F161 VanDerWaalsContact CE1-CD2 3.47Å; F18-F161 HydrophobicContact CE1-CE2 4.13Å; F18-F161 AromaticContact CE1-CG 3.7Å; F18-F161 HydrophobicContact CE1-CG 3.7Å; F18-F161 HydrophobicContact CE2-CD2 4.43Å; F18-F161 HydrophobicContact CG-CB 4.38Å; F18-F161 AromaticContact CZ-CD2 3.72Å; F18-F161 HydrophobicContact CZ-CD2 3.72Å; F18-F161 HydrophobicContact CZ-CE2 4.07Å; F18-F161 HydrophobicContact CZ-CG 4.41Å; V19-F161 PolarHBondContact N-O 2.95Å; V48-F161 HydrophobicContact CB-CD1 3.86Å; V48-F161 HydrophobicContact CB-CE1 4.01Å; V48-F161 HydrophobicContact CG1-CD1 4.08Å; V48-F161 HydrophobicContact CG1-CE1 4.02Å; V48-F161 HydrophobicContact CG2-CD1 4.39Å; V48-F161 HydrophobicContact CG2-CE1 4.16Å; F144-F161 HydrophobicContact CD2-CE1 4.02Å; F144-F161 HydrophobicContact CD2-CZ 4.39Å; F144-F161 AromaticContact CE2-CD1 3.97Å; F144-F161 HydrophobicContact CE2-CD1 3.97Å; F144-F161 AromaticContact CE2-CE1 3.48Å; F144-F161 HydrophobicContact CE2-CE1 3.48Å; F144-F161 VanDerWaalsContact CE2-CE1 3.48Å; F144-F161 HydrophobicContact CE2-CE2 4.07Å; F144-F161 HydrophobicContact CE2-CG 4.46Å; F144-F161 AromaticContact CE2-CZ 3.54Å; F144-F161 HydrophobicContact CE2-CZ 3.54Å; F144-F161 HydrophobicContact CZ-CE2 4.42Å; F144-F161 HydrophobicContact CZ-CZ 4.18Å; V147-F161 HydrophobicContact CG1-CE1 4.01Å; V147-F161 HydrophobicContact CG1-CZ 4.41Å; L148-F161 HydrophobicContact CD2-CZ 4.06Å; I151-F161 HydrophobicContact CD1-CZ 4.19Å; V159-F161 HydrophobicContact CG1-CD2 4.14Å; V159-F161 HydrophobicContact CG1-CE2 3.76Å; V159-F161 HydrophobicContact CG1-CZ 4.03Å; F161-T163 HydrophobicContact CB-CG2 4.14Å; F161-T163 PolarHBondContact O-N 2.9Å
162D91.4Very high76.8Confident0 Ų040.8 Ų40.80%023%0.231CC..EExtended strand (participates in β ladder)trans-81.3103.6164.7-168.338.1000108.1T28 S31 V48 T50T28-D162 WeakPolarHBondContact CA-OD2 3.48Å; T28-D162 VanDerWaalsContact CB-OD2 3.27Å; T28-D162 WeakPolarHBondContact CB-OD2 3.45Å; T28-D162 WeakPolarHBondContact CG2-OD2 3.16Å; T28-D162 PolarHBondContact OG1-OD2 3.38Å; S31-D162 PolarHBondContact OG-OD1 2.87Å; V48-D162 PolarHBondContact O-N 3.48Å; T50-D162 PolarHBondContact N-O 3.48Å; T50-D162 VanDerWaalsContact N-O 3.09Å; T50-D162 PolarHBondContact OG1-O 3.11Å
163T84.5Confident76.7Confident5 Ų538.7 Ų38.73%0.03121%0.208CC..PPolyproline II helixtrans-88.4150.9-169.168.90000111.8F18 V19 G20 K27 F161 T169F18-T163 HydrophobicContact CD1-CG2 3.99Å; V19-T163 WeakPolarHBondContact O-CB 3.46Å; V19-T163 WeakPolarHBondContact O-CG2 3.45Å; V19-T163 PolarHBondContact O-N 3.27Å; V19-T163 VanDerWaalsContact O-N 3.13Å; V19-T163 PolarHBondContact O-OG1 3.41Å; G20-T163 VanDerWaalsContact CA-OG1 3.3Å; G20-T163 WeakPolarHBondContact CA-OG1 3.25Å; K27-T163 WeakPolarHBondContact CE-O 3.19Å; F161-T163 HydrophobicContact CB-CG2 4.14Å; F161-T163 PolarHBondContact O-N 2.9Å; T163-T169 VanDerWaalsContact CB-CG2 3.43Å; T163-T169 VanDerWaalsContact CB-OG1 3.22Å; T163-T169 WeakPolarHBondContact CB-OG1 3.32Å; T163-T169 HydrophobicContact CG2-CG2 3.51Å; T163-T169 WeakPolarHBondContact OG1-CG2 3.49Å; T163-T169 PolarHBondContact OG1-OG1 2.92Å
164A77.1Confident76.7Confident14 Ų1434 Ų3412%0.11619%0.185CC..PPolyproline II helixtrans-54.3168.7166.600000111.5T50 H168 T169T50-A164 PolarHBondContact OG1-N 3.21Å; A164-H168 HydrophobicContact CB-CB 3.99Å; A164-T169 PolarHBondContact O-OG1 3.49Å
165P70.3Confident76.5Confident51 Ų5131.6 Ų31.633%0.33117%0.174SC..SBendtrans-54.3145.5176-25.835.1000112.9G167 H168P165-G167 VanDerWaalsContact C-N 3.25Å; P165-G167 PolarHBondContact O-N 3.14Å; P165-H168 PolarHBondContact O-N 2.9Å
166T60.8Low75.6Confident11 Ų1125.3 Ų25.37%0.06714%0.14CC..Hα-helixtrans-27.6-47.4-171.9500000117.5G21 H168 L170 E253 L257G21-T166 WeakPolarHBondContact O-CG2 3.35Å; G21-T166 PolarHBondContact O-N 3.42Å; T166-H168 VanDerWaalsContact C-N 3.34Å; T166-H168 PolarHBondContact O-N 3.12Å; T166-L170 PolarHBondContact O-N 3.39Å; T166-E253 HydrophobicContact CG2-CG 4.01Å; T166-E253 PolarHBondContact OG1-OE1 3.38Å; T166-L257 HydrophobicContact CG2-CB 4.24Å; T166-L257 HydrophobicContact CG2-CD1 4.28Å; T166-L257 HydrophobicContact CG2-CD2 3.86Å; T166-L257 HydrophobicContact CG2-CG 4.36Å
167G60.1Low74.5Confident43 Ų4328.2 Ų28.244%0.44315%0.153SC..Hα-helixtrans-63.9-30.7-176.900000115.3P165P165-G167 VanDerWaalsContact C-N 3.25Å; P165-G167 PolarHBondContact O-N 3.14Å
168H63.6Low73.3Confident87 Ų8729 Ų2940%0.40316%0.16SC..Hα-helixtrans-87.5-38.7-179.9-72.8-90.6000111.8E140 A164 P165 T166 L170 R171 L172E140-H168 IonicContact OE1-CE1 2.75Å; E140-H168 IonicContact OE1-CG 2.79Å; E140-H168 IonicContact OE1-ND1 2.78Å; E140-H168 PolarHBondContact OE1-ND1 2.94Å; A164-H168 HydrophobicContact CB-CB 3.99Å; P165-H168 PolarHBondContact O-N 2.9Å; T166-H168 VanDerWaalsContact C-N 3.34Å; T166-H168 PolarHBondContact O-N 3.12Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-L170 PolarHBondContact O-N 2.75Å; H168-R171 WeakPolarHBondContact O-CB 3.5Å; H168-R171 PolarHBondContact O-N 3.39Å; H168-R171 VanDerWaalsContact O-N 3.09Å; H168-L172 PolarHBondContact O-N 3.47Å
169T64Low71.9Confident5 Ų531.8 Ų31.83%0.03117%0.174CC..Hα-helixtrans-58.5-44.1-179.9-510000112.8T163 A164 R171 L172 L173 F240T163-T169 VanDerWaalsContact CB-CG2 3.43Å; T163-T169 VanDerWaalsContact CB-OG1 3.22Å; T163-T169 WeakPolarHBondContact CB-OG1 3.32Å; T163-T169 HydrophobicContact CG2-CG2 3.51Å; T163-T169 WeakPolarHBondContact OG1-CG2 3.49Å; T163-T169 PolarHBondContact OG1-OG1 2.92Å; A164-T169 PolarHBondContact O-OG1 3.49Å; T169-R171 PolarHBondContact O-N 3.41Å; T169-L172 WeakPolarHBondContact O-CB 3.34Å; T169-L172 PolarHBondContact O-N 3.28Å; T169-L173 HydrophobicContact CG2-CD1 4.04Å; T169-L173 WeakPolarHBondContact O-CG 3.33Å; T169-L173 PolarHBondContact O-N 2.87Å; T169-F240 HydrophobicContact CG2-CE2 4.07Å; T169-F240 HydrophobicContact CG2-CZ 4.45Å
170L65.7Low70.6Confident25 Ų2534.9 Ų34.913%0.13119%0.188CC..Hα-helixtrans-65.5-28.7-179.9-72170.4000112.5T166 H168 L173 S174 L257 D260 L261 L264T166-L170 PolarHBondContact O-N 3.39Å; H168-L170 VanDerWaalsContact C-N 3.34Å; H168-L170 PolarHBondContact O-N 2.75Å; L170-L173 PolarHBondContact O-N 3.22Å; L170-S174 VanDerWaalsContact O-CB 3.27Å; L170-S174 WeakPolarHBondContact O-CB 3.37Å; L170-S174 PolarHBondContact O-N 2.95Å; L170-S174 PolarHBondContact O-OG 3.36Å; L170-L257 HydrophobicContact CD1-CD1 4.03Å; L170-L257 HydrophobicContact CD2-CD1 3.98Å; L170-L257 HydrophobicContact CG-CD1 3.96Å; L170-D260 HydrophobicContact CD1-CB 3.48Å; L170-D260 VanDerWaalsContact CD1-CB 3.48Å; L170-D260 WeakPolarHBondContact CD1-OD2 3.38Å; L170-D260 HydrophobicContact CD2-CB 3.87Å; L170-D260 HydrophobicContact CG-CB 4.31Å; L170-L261 HydrophobicContact CD2-CD2 4.16Å; L170-L261 HydrophobicContact CD2-CG 4.35Å; L170-L264 HydrophobicContact CD2-CD1 3.88Å
171R61.8Low69.4Low117 Ų11740.6 Ų40.644%0.44221%0.213SC..Hα-helixtrans-67.1-46.3176-66.6178.6-177.7177-0.2110.6H168 T169 L173 S174 L175H168-R171 WeakPolarHBondContact O-CB 3.5Å; H168-R171 PolarHBondContact O-N 3.39Å; H168-R171 VanDerWaalsContact O-N 3.09Å; T169-R171 PolarHBondContact O-N 3.41Å; R171-L173 VanDerWaalsContact C-N 3.33Å; R171-L173 PolarHBondContact O-N 3.48Å; R171-S174 PolarHBondContact O-N 3.2Å; R171-S174 VanDerWaalsContact O-N 3.14Å; R171-S174 PolarHBondContact O-OG 2.98Å; R171-L175 PolarHBondContact O-N 2.87Å
172L63.4Low68.2Low13 Ų1342.3 Ų42.37%0.06823%0.231CC..Hα-helixtrans-59.3-42.2176.1176.9148.5000111.8E140 F144 H168 T169 L175E140-L172 HydrophobicContact CB-CB 4.42Å; E140-L172 HydrophobicContact CB-CD1 4.26Å; E140-L172 WeakPolarHBondContact O-CD1 3.37Å; F144-L172 HydrophobicContact CB-CD1 3.61Å; F144-L172 HydrophobicContact CB-CD2 4.43Å; F144-L172 HydrophobicContact CB-CG 3.83Å; F144-L172 HydrophobicContact CD1-CD2 4.03Å; F144-L172 HydrophobicContact CD1-CG 4.12Å; F144-L172 HydrophobicContact CD2-CD1 3.75Å; F144-L172 HydrophobicContact CD2-CD2 3.6Å; F144-L172 HydrophobicContact CD2-CG 3.91Å; F144-L172 HydrophobicContact CE1-CD2 4.08Å; F144-L172 HydrophobicContact CE2-CD2 3.67Å; F144-L172 HydrophobicContact CE2-CG 4.47Å; F144-L172 HydrophobicContact CG-CD1 3.78Å; F144-L172 HydrophobicContact CG-CD2 3.76Å; F144-L172 HydrophobicContact CG-CG 3.69Å; F144-L172 HydrophobicContact CZ-CD2 3.89Å; H168-L172 PolarHBondContact O-N 3.47Å; T169-L172 WeakPolarHBondContact O-CB 3.34Å; T169-L172 PolarHBondContact O-N 3.28Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 2.79Å
173L67.2Low67Low8 Ų843.2 Ų43.24%0.04224%0.235CC..Hα-helixtrans-72.8-28.6176.2-64.9170000113.4F18 T169 L170 R171 L175 P176 F232 F240 L261 L264 M266F18-L173 HydrophobicContact CD1-CD2 4.26Å; F18-L173 HydrophobicContact CE1-CD2 3.86Å; F18-L173 HydrophobicContact CE2-CD2 4.29Å; F18-L173 HydrophobicContact CZ-CD2 3.88Å; T169-L173 HydrophobicContact CG2-CD1 4.04Å; T169-L173 WeakPolarHBondContact O-CG 3.33Å; T169-L173 PolarHBondContact O-N 2.87Å; L170-L173 PolarHBondContact O-N 3.22Å; R171-L173 VanDerWaalsContact C-N 3.33Å; R171-L173 PolarHBondContact O-N 3.48Å; L173-L175 VanDerWaalsContact C-N 3.25Å; L173-L175 PolarHBondContact O-N 2.95Å; L173-P176 WeakPolarHBondContact O-CD 3.4Å; L173-F232 HydrophobicContact CD2-CD2 4.09Å; L173-F232 HydrophobicContact CD2-CE2 4.19Å; L173-F240 HydrophobicContact CD1-CD2 4.31Å; L173-F240 HydrophobicContact CD1-CE2 4.11Å; L173-L261 HydrophobicContact CD1-CD2 4.09Å; L173-L264 HydrophobicContact CB-CD1 3.88Å; L173-M266 HydrophobicContact CB-SD 4.06Å; L173-M266 HydrophobicContact CD1-CE 3.92Å; L173-M266 HydrophobicContact CD1-SD 3.65Å; L173-M266 HydrophobicContact CD2-CE 3.77Å; L173-M266 HydrophobicContact CD2-SD 3.79Å; L173-M266 HydrophobicContact CG-CE 4.41Å; L173-M266 HydrophobicContact CG-SD 4.03Å
174S69.3Low66Low34 Ų3445.2 Ų45.224%0.23825%0.249CC..Hα-helixtrans-77-14.4175.1780000113.4L170 R171 P176 K177 V178L170-S174 VanDerWaalsContact O-CB 3.27Å; L170-S174 WeakPolarHBondContact O-CB 3.37Å; L170-S174 PolarHBondContact O-N 2.95Å; L170-S174 PolarHBondContact O-OG 3.36Å; R171-S174 PolarHBondContact O-N 3.2Å; R171-S174 VanDerWaalsContact O-N 3.14Å; R171-S174 PolarHBondContact O-OG 2.98Å; S174-P176 VanDerWaalsContact C-CD 3.48Å; S174-K177 WeakPolarHBondContact O-CB 3.32Å; S174-K177 PolarHBondContact O-N 3.11Å; S174-K177 VanDerWaalsContact O-N 3.07Å; S174-V178 PolarHBondContact O-N 3.37Å; S174-V178 VanDerWaalsContact O-N 3.13Å
175L65.1Low65.5Low16 Ų1653.1 Ų53.18%0.08428%0.276CS..Hα-helixtrans-53.7-47.7-172.2-173.285.4000113.8A141 R171 L172 L173 K177 V178 I179A141-L175 HydrophobicContact CB-CD1 2.98Å; A141-L175 HydrophobicContact CB-CD2 3.41Å; A141-L175 VanDerWaalsContact CB-CD2 3.41Å; A141-L175 HydrophobicContact CB-CG 3.65Å; R171-L175 PolarHBondContact O-N 2.87Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 2.79Å; L173-L175 VanDerWaalsContact C-N 3.25Å; L173-L175 PolarHBondContact O-N 2.95Å; L175-K177 PolarHBondContact O-N 2.91Å; L175-K177 VanDerWaalsContact O-N 3.11Å; L175-V178 WeakPolarHBondContact O-CA 3.09Å; L175-V178 PolarHBondContact O-N 3.48Å; L175-I179 HydrophobicContact CD1-CD1 4.11Å; L175-I179 HydrophobicContact CD1-CG1 4.34Å; L175-I179 HydrophobicContact CD2-CD1 3.47Å; L175-I179 VanDerWaalsContact CD2-CD1 3.47Å; L175-I179 HydrophobicContact CD2-CG1 4.44Å; L175-I179 HydrophobicContact CG-CD1 3.58Å; L175-I179 HydrophobicContact CG-CG1 4.03Å; L175-I179 PolarHBondContact O-N 3.48Å
176P65.6Low65.3Low8 Ų854.4 Ų54.45%0.05228%0.28CS..Hα-helixtrans-57.2-35.8-177.6-25.637.2000112L173 S174 E180 I225 N229L173-P176 WeakPolarHBondContact O-CD 3.4Å; S174-P176 VanDerWaalsContact C-CD 3.48Å; P176-E180 WeakPolarHBondContact O-CB 3.47Å; P176-E180 PolarHBondContact O-N 3.43Å; P176-I225 HydrophobicContact CB-CG2 3.59Å; P176-I225 HydrophobicContact CG-CG2 4.32Å; P176-N229 HydrophobicContact CB-CB 3.62Å; P176-N229 HydrophobicContact CG-CB 4.17Å
177K68.3Low65.5Low98 Ų9857.9 Ų57.943%0.42630%0.297SS..Hα-helixtrans-71.8-36.1177-167.5176.6-171.9171.50112.4S174 L175 K181S174-K177 WeakPolarHBondContact O-CB 3.32Å; S174-K177 PolarHBondContact O-N 3.11Å; S174-K177 VanDerWaalsContact O-N 3.07Å; L175-K177 PolarHBondContact O-N 2.91Å; L175-K177 VanDerWaalsContact O-N 3.11Å; K177-K181 WeakPolarHBondContact O-CB 3.44Å; K177-K181 VanDerWaalsContact O-CG 3.3Å; K177-K181 WeakPolarHBondContact O-CG 3.41Å; K177-K181 PolarHBondContact O-N 3.42Å; K177-K181 VanDerWaalsContact O-N 3.11Å
178V68Low65.8Low71 Ų7165.2 Ų65.243%0.4331%0.311SS..Hα-helixtrans-68.2-47.5175.5177.20000110.1S174 L175 K181 G182S174-V178 PolarHBondContact O-N 3.37Å; S174-V178 VanDerWaalsContact O-N 3.13Å; L175-V178 WeakPolarHBondContact O-CA 3.09Å; L175-V178 PolarHBondContact O-N 3.48Å; V178-K181 PolarHBondContact O-N 3.33Å; V178-G182 PolarHBondContact O-N 2.99Å
179I65.2Low66Low58 Ų5867 Ų6730%0.29732%0.318SS..Hα-helixtrans-64.2-42.1177.4-66.8176.3000110.6L175 K181 G182 F183 I225L175-I179 HydrophobicContact CD1-CD1 4.11Å; L175-I179 HydrophobicContact CD1-CG1 4.34Å; L175-I179 HydrophobicContact CD2-CD1 3.47Å; L175-I179 VanDerWaalsContact CD2-CD1 3.47Å; L175-I179 HydrophobicContact CD2-CG1 4.44Å; L175-I179 HydrophobicContact CG-CD1 3.58Å; L175-I179 HydrophobicContact CG-CG1 4.03Å; L175-I179 PolarHBondContact O-N 3.48Å; I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 2.82Å; I179-G182 CarbonylContact O-C 3.54Å; I179-G182 PolarHBondContact O-N 2.81Å; I179-G182 VanDerWaalsContact O-N 3.15Å; I179-F183 VanDerWaalsContact O-CB 3.22Å; I179-F183 WeakPolarHBondContact O-CB 3.49Å; I179-F183 PolarHBondContact O-N 3.46Å; I179-I225 HydrophobicContact CB-CD1 4.26Å; I179-I225 HydrophobicContact CD1-CD1 3.64Å; I179-I225 HydrophobicContact CG2-CD1 3.68Å
180E65.8Low66Low67 Ų6771.4 Ų71.431%0.31333%0.334SS..Hα-helixtrans-61.1-41.1176.4179.5174.6-148.600112.4P176 S184 Y222P176-E180 WeakPolarHBondContact O-CB 3.47Å; P176-E180 PolarHBondContact O-N 3.43Å; E180-S184 VanDerWaalsContact O-CB 3.28Å; E180-S184 WeakPolarHBondContact O-CB 3.48Å; E180-S184 PolarHBondContact O-N 3.14Å; E180-S184 PolarHBondContact O-OG 3.42Å; E180-Y222 HydrophobicContact CB-CE2 4.25Å; E180-Y222 HydrophobicContact CG-CE2 4.1Å; E180-Y222 PolarHBondContact OE1-OH 3.45Å
181K68.9Low66.1Low121 Ų12172.9 Ų72.953%0.52636%0.356SS..Hα-helixtrans-67.1-39.5173.3-76.1178.6178.8-176.20112.3K177 V178 I179 S184 R185K177-K181 WeakPolarHBondContact O-CB 3.44Å; K177-K181 VanDerWaalsContact O-CG 3.3Å; K177-K181 WeakPolarHBondContact O-CG 3.41Å; K177-K181 PolarHBondContact O-N 3.42Å; K177-K181 VanDerWaalsContact O-N 3.11Å; V178-K181 PolarHBondContact O-N 3.33Å; I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 2.82Å; K181-S184 WeakPolarHBondContact CA-OG 3.28Å; K181-S184 PolarHBondContact O-OG 2.69Å; K181-R185 WeakPolarHBondContact O-CG 3.39Å; K181-R185 PolarHBondContact O-N 2.69Å
182G65.6Low66.4Low37 Ų3772.2 Ų72.238%0.38136%0.364SS..Hα-helixtrans-64.8-48.3175.900000111.8V178 I179 R185 L186V178-G182 PolarHBondContact O-N 2.99Å; I179-G182 CarbonylContact O-C 3.54Å; I179-G182 PolarHBondContact O-N 2.81Å; I179-G182 VanDerWaalsContact O-N 3.15Å; G182-R185 WeakPolarHBondContact O-CB 3.26Å; G182-R185 PolarHBondContact O-N 3.31Å; G182-R185 VanDerWaalsContact O-N 3.16Å; G182-L186 PolarHBondContact O-N 3.2Å
183F66.4Low66.4Low18 Ų1874.2 Ų74.28%0.07938%0.375CS..Hα-helixtrans-65.6-42.4-179.6-166.3-114.1000111.8I179 R185 L186 I187 I218 E219 Y222I179-F183 VanDerWaalsContact O-CB 3.22Å; I179-F183 WeakPolarHBondContact O-CB 3.49Å; I179-F183 PolarHBondContact O-N 3.46Å; F183-R185 VanDerWaalsContact C-N 3.28Å; F183-R185 PolarHBondContact O-N 3.41Å; F183-L186 WeakPolarHBondContact O-CB 3.24Å; F183-L186 PolarHBondContact O-N 2.88Å; F183-L186 VanDerWaalsContact O-N 3.1Å; F183-I187 HydrophobicContact CD1-CD1 3.61Å; F183-I187 HydrophobicContact CD1-CG1 4.35Å; F183-I187 HydrophobicContact CE1-CD1 3.47Å; F183-I187 VanDerWaalsContact CE1-CD1 3.47Å; F183-I187 HydrophobicContact CE1-CG1 4.16Å; F183-I187 HydrophobicContact CG-CD1 4.4Å; F183-I187 HydrophobicContact CZ-CD1 4.12Å; F183-I187 HydrophobicContact CZ-CG1 4.35Å; F183-I187 WeakPolarHBondContact O-CG1 3.44Å; F183-I187 PolarHBondContact O-N 3.17Å; F183-I218 HydrophobicContact CD2-CG2 3.66Å; F183-I218 HydrophobicContact CE2-CB 4.11Å; F183-I218 HydrophobicContact CE2-CG2 3.25Å; F183-I218 HydrophobicContact CZ-CG2 4.25Å; F183-E219 HydrophobicContact CZ-CG 4.05Å; F183-Y222 HydrophobicContact CB-CD2 4.24Å; F183-Y222 HydrophobicContact CB-CE2 4.41Å; F183-Y222 HydrophobicContact CD1-CD1 4.22Å; F183-Y222 AromaticContact CD1-CD2 3.41Å; F183-Y222 HydrophobicContact CD1-CD2 3.41Å; F183-Y222 VanDerWaalsContact CD1-CD2 3.41Å; F183-Y222 HydrophobicContact CD1-CE1 4.48Å; F183-Y222 AromaticContact CD1-CE2 3.75Å; F183-Y222 HydrophobicContact CD1-CE2 3.75Å; F183-Y222 AromaticContact CD1-CG 3.66Å; F183-Y222 HydrophobicContact CD1-CG 3.66Å; F183-Y222 HydrophobicContact CE1-CD1 4.08Å; F183-Y222 AromaticContact CE1-CD2 3.98Å; F183-Y222 HydrophobicContact CE1-CD2 3.98Å; F183-Y222 AromaticContact CE1-CG 3.71Å; F183-Y222 HydrophobicContact CE1-CG 3.71Å; F183-Y222 AromaticContact CG-CD2 3.99Å; F183-Y222 HydrophobicContact CG-CD2 3.99Å; F183-Y222 HydrophobicContact CG-CE2 4.44Å
184S64.9Low66.5Low48 Ų4874.8 Ų74.834%0.33638%0.381SS..Hα-helixtrans-63.3-32.2173.657.40000113E180 K181 R188E180-S184 VanDerWaalsContact O-CB 3.28Å; E180-S184 WeakPolarHBondContact O-CB 3.48Å; E180-S184 PolarHBondContact O-N 3.14Å; E180-S184 PolarHBondContact O-OG 3.42Å; K181-S184 WeakPolarHBondContact CA-OG 3.28Å; K181-S184 PolarHBondContact O-OG 2.69Å; S184-R188 WeakPolarHBondContact O-CG 3.46Å; S184-R188 PolarHBondContact O-N 3.37Å
185R66.5Low66.5Low180 Ų18077 Ų7768%0.67939%0.394SS*.Hα-helixtrans-70.3-41.6169.7-72.9176.2-174.5178.61.8111.8K181 G182 F183 I187 R188 F189K181-R185 WeakPolarHBondContact O-CG 3.39Å; K181-R185 PolarHBondContact O-N 2.69Å; G182-R185 WeakPolarHBondContact O-CB 3.26Å; G182-R185 PolarHBondContact O-N 3.31Å; G182-R185 VanDerWaalsContact O-N 3.16Å; F183-R185 VanDerWaalsContact C-N 3.28Å; F183-R185 PolarHBondContact O-N 3.41Å; R185-I187 VanDerWaalsContact C-N 3.34Å; R185-I187 PolarHBondContact O-N 2.68Å; R185-R188 WeakPolarHBondContact O-CB 3.41Å; R185-R188 PolarHBondContact O-N 3.3Å; R185-R188 VanDerWaalsContact O-N 3.15Å; R185-F189 WeakPolarHBondContact O-CB 3.27Å; R185-F189 PolarHBondContact O-N 3.33Å
186L65.1Low66.8Low78 Ų7880.5 Ų80.541%0.40841%0.412SS..Hα-helixtrans-62.5-40.6178.1-168.1138000111.5G182 F183 R188 F189 R190 M215G182-L186 PolarHBondContact O-N 3.2Å; F183-L186 WeakPolarHBondContact O-CB 3.24Å; F183-L186 PolarHBondContact O-N 2.88Å; F183-L186 VanDerWaalsContact O-N 3.1Å; L186-R188 PolarHBondContact O-N 2.95Å; L186-F189 CarbonylContact O-C 3.54Å; L186-F189 PolarHBondContact O-N 3.29Å; L186-R190 PolarHBondContact O-N 3.27Å; L186-M215 HydrophobicContact CD2-SD 4.49Å
187I65.6Low66.8Low84 Ų8481.5 Ų81.543%0.43142%0.417SS..Hα-helixtrans-62.1-40.9172.7-68.1164.4000111.5F183 R185 F189 R190 G191F183-I187 HydrophobicContact CD1-CD1 3.61Å; F183-I187 HydrophobicContact CD1-CG1 4.35Å; F183-I187 HydrophobicContact CE1-CD1 3.47Å; F183-I187 VanDerWaalsContact CE1-CD1 3.47Å; F183-I187 HydrophobicContact CE1-CG1 4.16Å; F183-I187 HydrophobicContact CG-CD1 4.4Å; F183-I187 HydrophobicContact CZ-CD1 4.12Å; F183-I187 HydrophobicContact CZ-CG1 4.35Å; F183-I187 WeakPolarHBondContact O-CG1 3.44Å; F183-I187 PolarHBondContact O-N 3.17Å; R185-I187 VanDerWaalsContact C-N 3.34Å; R185-I187 PolarHBondContact O-N 2.68Å; I187-F189 VanDerWaalsContact C-N 3.32Å; I187-R190 WeakPolarHBondContact O-CB 3.45Å; I187-R190 PolarHBondContact O-N 3.4Å; I187-G191 PolarHBondContact O-N 3.32Å
188R66.4Low66.8Low196 Ų19683.7 Ų83.774%0.7443%0.426SS*.Hα-helixtrans-64.7-40.3174.3-71.7176-172.7-172.72.3111.4S184 R185 L186 R190 G191S184-R188 WeakPolarHBondContact O-CG 3.46Å; S184-R188 PolarHBondContact O-N 3.37Å; R185-R188 WeakPolarHBondContact O-CB 3.41Å; R185-R188 PolarHBondContact O-N 3.3Å; R185-R188 VanDerWaalsContact O-N 3.15Å; L186-R188 PolarHBondContact O-N 2.95Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R188-G191 PolarHBondContact O-N 3.29Å; R188-G191 VanDerWaalsContact O-N 3.16Å
189F68Low67.1Low124 Ų12487.2 Ų87.254%0.54444%0.438SS..Hα-helixtrans-68-34.6178.5-145.3-101.1000111.7R185 L186 I187 G191 V192 L193R185-F189 WeakPolarHBondContact O-CB 3.27Å; R185-F189 PolarHBondContact O-N 3.33Å; L186-F189 CarbonylContact O-C 3.54Å; L186-F189 PolarHBondContact O-N 3.29Å; I187-F189 VanDerWaalsContact C-N 3.32Å; F189-G191 PolarHBondContact O-N 3.14Å; F189-V192 CarbonylContact O-C 3.57Å; F189-V192 WeakPolarHBondContact O-CA 3.46Å; F189-V192 WeakPolarHBondContact O-CB 3.22Å; F189-V192 PolarHBondContact O-N 3.37Å; F189-L193 HydrophobicContact CD1-CD1 3.4Å; F189-L193 HydrophobicContact CD1-CD2 4.33Å; F189-L193 HydrophobicContact CD1-CG 3.56Å; F189-L193 HydrophobicContact CE1-CD1 3.7Å; F189-L193 HydrophobicContact CE1-CD2 3.94Å; F189-L193 HydrophobicContact CE1-CG 3.69Å; F189-L193 PolarHBondContact O-N 3.41Å
190R63.9Low67.5Low99 Ų9988.4 Ų88.437%0.37444%0.441SS..Hα-helixtrans-55.2-39.2169175-177.1171.372.14.9111.8L186 I187 R188 V192 L193 A194 E211L186-R190 PolarHBondContact O-N 3.27Å; I187-R190 WeakPolarHBondContact O-CB 3.45Å; I187-R190 PolarHBondContact O-N 3.4Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R190-V192 PolarHBondContact O-N 2.82Å; R190-L193 PolarHBondContact O-N 3.28Å; R190-A194 WeakPolarHBondContact O-CB 3.41Å; R190-A194 PolarHBondContact O-N 3.01Å; R190-E211 IonicContact CZ-OE1 3.93Å; R190-E211 IonicContact NH1-OE1 2.6Å; R190-E211 PolarHBondContact NH1-OE1 2.79Å
191G67.5Low67.6Low56 Ų5685.3 Ų85.358%0.57743%0.427SS*.Hα-helixtrans-59.7-28.3175.100000113.7I187 R188 F189 P195I187-G191 PolarHBondContact O-N 3.32Å; R188-G191 PolarHBondContact O-N 3.29Å; R188-G191 VanDerWaalsContact O-N 3.16Å; F189-G191 PolarHBondContact O-N 3.14Å; G191-P195 WeakPolarHBondContact O-CD 3.38Å
192V67.4Low67.5Low102 Ų10284.6 Ų84.662%0.61844%0.435SS*.Hα-helixtrans-91.9-38.3178.2-177.20000111.8F189 R190 P195F189-V192 CarbonylContact O-C 3.57Å; F189-V192 WeakPolarHBondContact O-CA 3.46Å; F189-V192 WeakPolarHBondContact O-CB 3.22Å; F189-V192 PolarHBondContact O-N 3.37Å; R190-V192 PolarHBondContact O-N 2.82Å; V192-P195 WeakPolarHBondContact O-CD 3.3Å
193L64.6Low67.7Low56 Ų5689.9 Ų89.929%0.29345%0.452SS..Hα-helixtrans-78.7-34.7-178.4-75.8-178.1000113.4F189 R190 L196 M197F189-L193 HydrophobicContact CD1-CD1 3.4Å; F189-L193 HydrophobicContact CD1-CD2 4.33Å; F189-L193 HydrophobicContact CD1-CG 3.56Å; F189-L193 HydrophobicContact CE1-CD1 3.7Å; F189-L193 HydrophobicContact CE1-CD2 3.94Å; F189-L193 HydrophobicContact CE1-CG 3.69Å; F189-L193 PolarHBondContact O-N 3.41Å; R190-L193 PolarHBondContact O-N 3.28Å; L193-L196 CarbonylContact O-C 3.14Å; L193-L196 WeakPolarHBondContact O-CA 3.2Å; L193-L196 WeakPolarHBondContact O-CB 3.23Å; L193-L196 PolarHBondContact O-N 3.11Å; L193-M197 WeakPolarHBondContact O-CG 3.36Å; L193-M197 PolarHBondContact O-N 2.96Å
194A67.6Low67.5Low20 Ų2092.3 Ų92.317%0.16546%0.462CS..Hα-helixtrans-58.8-41-175.300000113.6R190 L196 K198R190-A194 WeakPolarHBondContact O-CB 3.41Å; R190-A194 PolarHBondContact O-N 3.01Å; A194-L196 VanDerWaalsContact C-N 3.34Å; A194-K198 WeakPolarHBondContact O-CB 3.34Å; A194-K198 WeakPolarHBondContact O-CG 3.48Å; A194-K198 PolarHBondContact O-N 2.73Å
195P70.5Confident67.5Low79 Ų7992.9 Ų92.951%0.51348%0.475SS..Hα-helixtrans-62.3-40.4172-21.332.4000112.9G191 V192 Q199G191-P195 WeakPolarHBondContact O-CD 3.38Å; V192-P195 WeakPolarHBondContact O-CD 3.3Å; P195-Q199 WeakPolarHBondContact O-CB 3.45Å; P195-Q199 PolarHBondContact O-N 3.22Å; P195-Q199 VanDerWaalsContact O-N 3.1Å
196L70.9Confident67.1Low91 Ų9185 Ų8548%0.47645%0.446SS..Hα-helixtrans-68.8-45.7-179.2-170.2125.1000111.1L193 A194 K198 Q199 F200L193-L196 CarbonylContact O-C 3.14Å; L193-L196 WeakPolarHBondContact O-CA 3.2Å; L193-L196 WeakPolarHBondContact O-CB 3.23Å; L193-L196 PolarHBondContact O-N 3.11Å; A194-L196 VanDerWaalsContact C-N 3.34Å; L196-K198 PolarHBondContact O-N 3.18Å; L196-Q199 PolarHBondContact O-N 3.48Å; L196-F200 HydrophobicContact CG-CD2 4.01Å; L196-F200 HydrophobicContact CG-CE2 4.33Å; L196-F200 WeakPolarHBondContact O-CD2 3.38Å; L196-F200 PolarHBondContact O-N 3.03Å
197M64.9Low66.8Low29 Ų2983.9 Ų83.914%0.14345%0.445CS..Hα-helixtrans-65.2-36.4175.9-70.5-70.4-9000112N104 L193 Q199 G201 I206N104-M197 VanDerWaalsContact OD1-CE 3.27Å; N104-M197 WeakPolarHBondContact OD1-CE 3.02Å; L193-M197 WeakPolarHBondContact O-CG 3.36Å; L193-M197 PolarHBondContact O-N 2.96Å; M197-Q199 VanDerWaalsContact C-N 3.32Å; M197-Q199 PolarHBondContact O-N 2.72Å; M197-G201 WeakPolarHBondContact O-CA 3.45Å; M197-G201 PolarHBondContact O-N 3.18Å; M197-I206 HydrophobicContact CE-CD1 3.66Å; M197-I206 HydrophobicContact CE-CG2 4.45Å; M197-I206 HydrophobicContact SD-CD1 4.37Å
198K69.9Low66.6Low144 Ų14485.3 Ų85.363%0.62645%0.454SS*.Hα-helixtrans-66.8-33.8172.9-77.3-179.1177.1-173.40113.2A194 L196A194-K198 WeakPolarHBondContact O-CB 3.34Å; A194-K198 WeakPolarHBondContact O-CG 3.48Å; A194-K198 PolarHBondContact O-N 2.73Å; L196-K198 PolarHBondContact O-N 3.18Å
199Q74.1Confident66.3Low145 Ų14582.3 Ų82.368%0.67845%0.453SS*.Hα-helixtrans-75.6-40.1179.9-177.5173.3-6.600112.3P195 L196 M197P195-Q199 WeakPolarHBondContact O-CB 3.45Å; P195-Q199 PolarHBondContact O-N 3.22Å; P195-Q199 VanDerWaalsContact O-N 3.1Å; L196-Q199 PolarHBondContact O-N 3.48Å; M197-Q199 VanDerWaalsContact C-N 3.32Å; M197-Q199 PolarHBondContact O-N 2.72Å
200F73.8Confident65.8Low83 Ų8380 Ų8036%0.36444%0.444SS..Hα-helixtrans-105.6-18.9-174.3-68.8-79000114L196 M203 F204L196-F200 HydrophobicContact CG-CD2 4.01Å; L196-F200 HydrophobicContact CG-CE2 4.33Å; L196-F200 WeakPolarHBondContact O-CD2 3.38Å; L196-F200 PolarHBondContact O-N 3.03Å; F200-M203 WeakPolarHBondContact O-CA 3.49Å; F200-M203 WeakPolarHBondContact O-CB 3.36Å; F200-M203 PolarHBondContact O-N 3.39Å; F200-F204 HydrophobicContact CB-CD2 4.23Å; F200-F204 HydrophobicContact CB-CE2 4.08Å; F200-F204 VanDerWaalsContact O-CD2 3.23Å; F200-F204 WeakPolarHBondContact O-CD2 3.36Å; F200-F204 PolarHBondContact O-N 2.88Å
201G66.3Low65.5Low2 Ų276.9 Ų76.92%0.02143%0.433CS..G310 helixtrans-52.8-46.3-177.500000114.2M197 M203 F204 G205 I206M197-G201 WeakPolarHBondContact O-CA 3.45Å; M197-G201 PolarHBondContact O-N 3.18Å; G201-M203 PolarHBondContact O-N 3.2Å; G201-M203 VanDerWaalsContact O-N 3.17Å; G201-F204 CarbonylContact O-C 3.51Å; G201-F204 PolarHBondContact O-N 3.08Å; G201-G205 PolarHBondContact O-N 3.5Å; G201-G205 VanDerWaalsContact O-N 3.11Å; G201-I206 CarbonylContact C-O 3.54Å; G201-I206 PolarHBondContact O-N 3.06Å
202P68Low65.2Low106 Ų10677 Ų7769%0.68843%0.428SS*.G310 helixtrans-59.7-26.7174.6-24.734.2000114F204P202-F204 VanDerWaalsContact C-N 3.34Å
203M69Low64.9Low148 Ų14874.4 Ų74.473%0.72942%0.417SS*.G310 helixtrans-74.4-26.1176.9-166.4177.6-178.100112.2F200 G201F200-M203 WeakPolarHBondContact O-CA 3.49Å; F200-M203 WeakPolarHBondContact O-CB 3.36Å; F200-M203 PolarHBondContact O-N 3.39Å; G201-M203 PolarHBondContact O-N 3.2Å; G201-M203 VanDerWaalsContact O-N 3.17Å
204F63.3Low64.5Low69 Ų6972.3 Ų72.330%0.30341%0.407SS..THydrogen-bonded Turntrans-106.98.5-177.9-65.1-72.9000113.5C107 P111 F200 G201 P202 I206C107-F204 VanDerWaalsContact SG-CD2 3.55Å; P111-F204 HydrophobicContact CB-CZ 4.2Å; P111-F204 HydrophobicContact CG-CE1 3.91Å; P111-F204 HydrophobicContact CG-CE2 4.27Å; P111-F204 HydrophobicContact CG-CZ 3.54Å; F200-F204 HydrophobicContact CB-CD2 4.23Å; F200-F204 HydrophobicContact CB-CE2 4.08Å; F200-F204 VanDerWaalsContact O-CD2 3.23Å; F200-F204 WeakPolarHBondContact O-CD2 3.36Å; F200-F204 PolarHBondContact O-N 2.88Å; G201-F204 CarbonylContact O-C 3.51Å; G201-F204 PolarHBondContact O-N 3.08Å; P202-F204 VanDerWaalsContact C-N 3.34Å; F204-I206 HydrophobicContact CB-CD1 4.47Å; F204-I206 HydrophobicContact CB-CG1 4.25Å; F204-I206 PolarHBondContact O-N 3.43Å
205G63.5Low64.2Low59 Ų5972.4 Ų72.461%0.60841%0.405SS*.THydrogen-bonded Turntrans72.411.3-178.900000114.2G201 S207G201-G205 PolarHBondContact O-N 3.5Å; G201-G205 VanDerWaalsContact O-N 3.11Å; G205-S207 PolarHBondContact O-N 2.96Å
206I58.3Low64Low15 Ų1576.4 Ų76.48%0.07741%0.414CS..  trans-77.8110.1176.1-54.7-176.5000107.7L103 C107 M197 G201 F204L103-I206 HydrophobicContact CD2-CG1 3.89Å; L103-I206 HydrophobicContact CG-CD1 4.38Å; L103-I206 HydrophobicContact CG-CG1 4.02Å; C107-I206 HydrophobicContact CB-CD1 3.65Å; C107-I206 WeakPolarHBondContact SG-CD1 3.48Å; M197-I206 HydrophobicContact CE-CD1 3.66Å; M197-I206 HydrophobicContact CE-CG2 4.45Å; M197-I206 HydrophobicContact SD-CD1 4.37Å; G201-I206 CarbonylContact C-O 3.54Å; G201-I206 PolarHBondContact O-N 3.06Å; F204-I206 HydrophobicContact CB-CD1 4.47Å; F204-I206 HydrophobicContact CB-CG1 4.25Å; F204-I206 PolarHBondContact O-N 3.43Å
207S58.9Low63.4Low55 Ų5577 Ų7739%0.38541%0.413SS..  trans-85.1147.8171.174.10000110.3G205 N209 E210G205-S207 PolarHBondContact O-N 2.96Å; S207-N209 PolarHBondContact O-N 2.91Å; S207-E210 PolarHBondContact O-N 3.19Å; S207-E210 VanDerWaalsContact O-N 3.16Å
208D61.6Low63.1Low113 Ų11378.2 Ų78.260%0.60442%0.419SS*.Hα-helixtrans-52.7-23.5176.7-73.7-28.3000113.2A212D208-A212 PolarHBondContact O-N 2.95Å
209N60Low62.8Low134 Ų13476.3 Ų76.372%0.71741%0.412SS*.Hα-helixtrans-73-34.4-177.6-76.6-17.2000113.8S207 A213S207-N209 PolarHBondContact O-N 2.91Å; N209-A213 PolarHBondContact O-N 3.38Å
210E57Low62.3Low76 Ų7671.3 Ų71.336%0.35540%0.399SS..Hα-helixtrans-75.5-39-177.5-69.9-175.8162.600111.4L103 S207 A212 A213 T214L103-E210 WeakPolarHBondContact CD2-OE2 3.44Å; S207-E210 PolarHBondContact O-N 3.19Å; S207-E210 VanDerWaalsContact O-N 3.16Å; E210-A212 VanDerWaalsContact C-N 3.29Å; E210-A212 PolarHBondContact O-N 3.1Å; E210-A213 PolarHBondContact O-N 3.13Å; E210-A213 VanDerWaalsContact O-N 3.17Å; E210-T214 PolarHBondContact O-N 2.83Å; E210-T214 PolarHBondContact O-OG1 2.78Å
211E58.7Low61.8Low33 Ų3371.6 Ų71.615%0.15440%0.404CS..Hα-helixtrans-59.3-42.4173.7-167.3-167.7142.600111.1R190 A213 M215R190-E211 IonicContact CZ-OE1 3.93Å; R190-E211 IonicContact NH1-OE1 2.6Å; R190-E211 PolarHBondContact NH1-OE1 2.79Å; E211-A213 VanDerWaalsContact C-N 3.32Å; E211-A213 PolarHBondContact O-N 3.4Å; E211-M215 WeakPolarHBondContact O-CB 3.32Å; E211-M215 VanDerWaalsContact O-CG 3.28Å; E211-M215 WeakPolarHBondContact O-CG 3.45Å; E211-M215 PolarHBondContact O-N 2.84Å
212A61.3Low61.8Low58 Ų5874 Ų7448%0.47941%0.413SS..Hα-helixtrans-64-35.917800000112.5D208 E210 K216D208-A212 PolarHBondContact O-N 2.95Å; E210-A212 VanDerWaalsContact C-N 3.29Å; E210-A212 PolarHBondContact O-N 3.1Å; A212-K216 VanDerWaalsContact O-CB 3.26Å; A212-K216 WeakPolarHBondContact O-CB 3.2Å; A212-K216 PolarHBondContact O-N 3.21Å
213A59.9Low61.9Low47 Ų4772 Ų7239%0.38840%0.4SS..Hα-helixtrans-69.4-46.1179.700000112.4N209 E210 E211 K216 K217N209-A213 PolarHBondContact O-N 3.38Å; E210-A213 PolarHBondContact O-N 3.13Å; E210-A213 VanDerWaalsContact O-N 3.17Å; E211-A213 VanDerWaalsContact C-N 3.32Å; E211-A213 PolarHBondContact O-N 3.4Å; A213-K216 PolarHBondContact O-N 3.2Å; A213-K217 PolarHBondContact O-N 2.92Å
214T57.5Low61.8Low13 Ų1369.1 Ų69.18%0.0839%0.39CS..Hα-helixtrans-62.7-45.3175.9-370000110.6S100 E210 K216 K217 I218S100-T214 WeakPolarHBondContact CB-OG1 3.25Å; S100-T214 PolarHBondContact OG-OG1 2.89Å; E210-T214 PolarHBondContact O-N 2.83Å; E210-T214 PolarHBondContact O-OG1 2.78Å; T214-K216 VanDerWaalsContact C-N 3.33Å; T214-K216 PolarHBondContact O-N 2.83Å; T214-K217 WeakPolarHBondContact O-CB 3.41Å; T214-K217 PolarHBondContact O-N 3.21Å; T214-K217 VanDerWaalsContact O-N 3.14Å; T214-I218 HydrophobicContact CG2-CD1 4.39Å; T214-I218 WeakPolarHBondContact O-CG1 3.45Å; T214-I218 PolarHBondContact O-N 3.49Å; T214-I218 VanDerWaalsContact O-N 3.09Å
215M61.8Low62Low22 Ų2266.7 Ų66.711%0.10838%0.38CS..Hα-helixtrans-61.6-42.1179-75.6-60.2-54.900111.7L186 E211 K217 I218 E219L186-M215 HydrophobicContact CD2-SD 4.49Å; E211-M215 WeakPolarHBondContact O-CB 3.32Å; E211-M215 VanDerWaalsContact O-CG 3.28Å; E211-M215 WeakPolarHBondContact O-CG 3.45Å; E211-M215 PolarHBondContact O-N 2.84Å; M215-K217 VanDerWaalsContact C-N 3.27Å; M215-K217 PolarHBondContact O-N 2.83Å; M215-I218 PolarHBondContact O-N 2.85Å; M215-E219 HydrophobicContact CE-CG 4.47Å; M215-E219 VanDerWaalsContact O-CB 3.24Å; M215-E219 WeakPolarHBondContact O-CB 3.42Å; M215-E219 VanDerWaalsContact O-CG 3.28Å; M215-E219 WeakPolarHBondContact O-CG 3.5Å; M215-E219 PolarHBondContact O-N 2.79Å
216K64.9Low62.5Low162 Ų16268 Ų6870%0.70437%0.371SS*.Hα-helixtrans-61.5-34176.9-169.5178-178.9-177.30112.6A212 A213 T214 G220A212-K216 VanDerWaalsContact O-CB 3.26Å; A212-K216 WeakPolarHBondContact O-CB 3.2Å; A212-K216 PolarHBondContact O-N 3.21Å; A213-K216 PolarHBondContact O-N 3.2Å; T214-K216 VanDerWaalsContact C-N 3.33Å; T214-K216 PolarHBondContact O-N 2.83Å; K216-G220 PolarHBondContact O-N 2.93Å
217K59.9Low63.3Low105 Ų10571.1 Ų71.146%0.45739%0.385SS..Hα-helixtrans-68.4-47.4174.6-72.3178.4-179.2172.20111.6E98 A213 T214 M215 G220 I221E98-K217 IonicContact OE1-NZ 2.74Å; E98-K217 PolarHBondContact OE1-NZ 2.86Å; E98-K217 IonicContact OE2-NZ 3.44Å; E98-K217 PolarHBondContact OE2-NZ 2.84Å; A213-K217 PolarHBondContact O-N 2.92Å; T214-K217 WeakPolarHBondContact O-CB 3.41Å; T214-K217 PolarHBondContact O-N 3.21Å; T214-K217 VanDerWaalsContact O-N 3.14Å; M215-K217 VanDerWaalsContact C-N 3.27Å; M215-K217 PolarHBondContact O-N 2.83Å; K217-G220 PolarHBondContact O-N 3.48Å; K217-G220 VanDerWaalsContact O-N 3.11Å; K217-I221 PolarHBondContact O-N 3.3Å
218I58.6Low64Low54 Ų5469.9 Ų69.928%0.27737%0.374SS..Hα-helixtrans-66.3-42.2178.7-51.7171.3000110.6F183 T214 M215 G220 I221 Y222F183-I218 HydrophobicContact CD2-CG2 3.66Å; F183-I218 HydrophobicContact CE2-CB 4.11Å; F183-I218 HydrophobicContact CE2-CG2 3.25Å; F183-I218 HydrophobicContact CZ-CG2 4.25Å; T214-I218 HydrophobicContact CG2-CD1 4.39Å; T214-I218 WeakPolarHBondContact O-CG1 3.45Å; T214-I218 PolarHBondContact O-N 3.49Å; T214-I218 VanDerWaalsContact O-N 3.09Å; M215-I218 PolarHBondContact O-N 2.85Å; I218-G220 PolarHBondContact O-N 3.07Å; I218-I221 PolarHBondContact O-N 3.28Å; I218-Y222 PolarHBondContact O-N 3.23Å
219E63.2Low64.8Low104 Ų10465.9 Ų65.949%0.48635%0.352SS..Hα-helixtrans-63.2-24.8173.1-74.4177.7-17600112.6F183 M215 P223F183-E219 HydrophobicContact CZ-CG 4.05Å; M215-E219 HydrophobicContact CE-CG 4.47Å; M215-E219 VanDerWaalsContact O-CB 3.24Å; M215-E219 WeakPolarHBondContact O-CB 3.42Å; M215-E219 VanDerWaalsContact O-CG 3.28Å; M215-E219 WeakPolarHBondContact O-CG 3.5Å; M215-E219 PolarHBondContact O-N 2.79Å; E219-P223 WeakPolarHBondContact O-CD 3.31Å
220G64Low65.9Low39 Ų3966.4 Ų66.440%0.40235%0.348SS..Hα-helixtrans-75.2-32.3173.700000113.8K216 K217 I218 P223K216-G220 PolarHBondContact O-N 2.93Å; K217-G220 PolarHBondContact O-N 3.48Å; K217-G220 VanDerWaalsContact O-N 3.11Å; I218-G220 PolarHBondContact O-N 3.07Å; G220-P223 WeakPolarHBondContact O-CD 3.27Å; G220-P223 WeakPolarHBondContact O-CG 3.5Å
221I63Low67.2Low90 Ų9064.5 Ų64.546%0.46234%0.339SS..Hα-helixtrans-76.1-37.6178.8-66.4169000111.1K217 I218 V224 I225K217-I221 PolarHBondContact O-N 3.3Å; I218-I221 PolarHBondContact O-N 3.28Å; I221-V224 WeakPolarHBondContact O-CB 3.38Å; I221-V224 PolarHBondContact O-N 3.32Å; I221-I225 HydrophobicContact CG2-CD1 3.53Å; I221-I225 HydrophobicContact CG2-CG1 4.03Å; I221-I225 WeakPolarHBondContact O-CG1 3.42Å; I221-I225 PolarHBondContact O-N 2.91Å
222Y65.3Low68.4Low51 Ų5163.1 Ų63.120%0.233%0.333CS..Hα-helixtrans-53.7-50.1-178.4-174.8-108.9000115.3E180 F183 I218 V224 I225 Q226E180-Y222 HydrophobicContact CB-CE2 4.25Å; E180-Y222 HydrophobicContact CG-CE2 4.1Å; E180-Y222 PolarHBondContact OE1-OH 3.45Å; F183-Y222 HydrophobicContact CB-CD2 4.24Å; F183-Y222 HydrophobicContact CB-CE2 4.41Å; F183-Y222 HydrophobicContact CD1-CD1 4.22Å; F183-Y222 AromaticContact CD1-CD2 3.41Å; F183-Y222 HydrophobicContact CD1-CD2 3.41Å; F183-Y222 VanDerWaalsContact CD1-CD2 3.41Å; F183-Y222 HydrophobicContact CD1-CE1 4.48Å; F183-Y222 AromaticContact CD1-CE2 3.75Å; F183-Y222 HydrophobicContact CD1-CE2 3.75Å; F183-Y222 AromaticContact CD1-CG 3.66Å; F183-Y222 HydrophobicContact CD1-CG 3.66Å; F183-Y222 HydrophobicContact CE1-CD1 4.08Å; F183-Y222 AromaticContact CE1-CD2 3.98Å; F183-Y222 HydrophobicContact CE1-CD2 3.98Å; F183-Y222 AromaticContact CE1-CG 3.71Å; F183-Y222 HydrophobicContact CE1-CG 3.71Å; F183-Y222 AromaticContact CG-CD2 3.99Å; F183-Y222 HydrophobicContact CG-CD2 3.99Å; F183-Y222 HydrophobicContact CG-CE2 4.44Å; I218-Y222 PolarHBondContact O-N 3.23Å; Y222-V224 VanDerWaalsContact C-N 3.28Å; Y222-V224 PolarHBondContact O-N 3.49Å; Y222-I225 PolarHBondContact O-N 3.24Å; Y222-Q226 HydrophobicContact CD1-CG 4.31Å; Y222-Q226 HydrophobicContact CE1-CG 3.94Å; Y222-Q226 HydrophobicContact CE2-CG 4.16Å; Y222-Q226 VanDerWaalsContact CZ-CD 3.48Å; Y222-Q226 VanDerWaalsContact CZ-NE2 3.28Å; Y222-Q226 WeakPolarHBondContact O-CG 3.47Å; Y222-Q226 PolarHBondContact O-N 2.81Å; Y222-Q226 PolarHBondContact OH-NE2 3.14Å
223P70.2Confident69.6Low65 Ų6563.8 Ų63.842%0.42233%0.325SS..Hα-helixtrans-64.7-32.4179.225.4-35.2000112.4E219 G220 Q226 E227E219-P223 WeakPolarHBondContact O-CD 3.31Å; G220-P223 WeakPolarHBondContact O-CD 3.27Å; G220-P223 WeakPolarHBondContact O-CG 3.5Å; P223-Q226 PolarHBondContact O-N 3.37Å; P223-E227 WeakPolarHBondContact O-CB 3.5Å; P223-E227 PolarHBondContact O-N 3.37Å
224V67.4Low71.2Confident87 Ų8764.4 Ų64.453%0.52732%0.322SS..Hα-helixtrans-63.8-48.3175.4179.70000109.7I221 Y222 Q226 E227 I228I221-V224 WeakPolarHBondContact O-CB 3.38Å; I221-V224 PolarHBondContact O-N 3.32Å; Y222-V224 VanDerWaalsContact C-N 3.28Å; Y222-V224 PolarHBondContact O-N 3.49Å; V224-Q226 VanDerWaalsContact C-N 3.34Å; V224-Q226 PolarHBondContact O-N 2.87Å; V224-E227 PolarHBondContact O-N 2.99Å; V224-I228 HydrophobicContact CG1-CD1 3.78Å; V224-I228 WeakPolarHBondContact O-CD1 3.46Å; V224-I228 VanDerWaalsContact O-CG1 3.23Å; V224-I228 WeakPolarHBondContact O-CG1 3.29Å; V224-I228 PolarHBondContact O-N 3.15Å
225I67.8Low72.9Confident19 Ų1967 Ų6710%0.09734%0.339CS..Hα-helixtrans-61.9-40.9177.1-67.6176.8000111.8P176 I179 I221 Y222 I228 N229P176-I225 HydrophobicContact CB-CG2 3.59Å; P176-I225 HydrophobicContact CG-CG2 4.32Å; I179-I225 HydrophobicContact CB-CD1 4.26Å; I179-I225 HydrophobicContact CD1-CD1 3.64Å; I179-I225 HydrophobicContact CG2-CD1 3.68Å; I221-I225 HydrophobicContact CG2-CD1 3.53Å; I221-I225 HydrophobicContact CG2-CG1 4.03Å; I221-I225 WeakPolarHBondContact O-CG1 3.42Å; I221-I225 PolarHBondContact O-N 2.91Å; Y222-I225 PolarHBondContact O-N 3.24Å; I225-I228 PolarHBondContact O-N 3.04Å; I225-N229 WeakPolarHBondContact O-CB 3.25Å; I225-N229 PolarHBondContact O-N 2.75Å
226Q72.7Confident74.4Confident86 Ų8668 Ų6840%0.40235%0.35SS..Hα-helixtrans-63.7-42.9176.4-75.1-167.1-48.100112.1Y222 P223 V224 N229 K230Y222-Q226 HydrophobicContact CD1-CG 4.31Å; Y222-Q226 HydrophobicContact CE1-CG 3.94Å; Y222-Q226 HydrophobicContact CE2-CG 4.16Å; Y222-Q226 VanDerWaalsContact CZ-CD 3.48Å; Y222-Q226 VanDerWaalsContact CZ-NE2 3.28Å; Y222-Q226 WeakPolarHBondContact O-CG 3.47Å; Y222-Q226 PolarHBondContact O-N 2.81Å; Y222-Q226 PolarHBondContact OH-NE2 3.14Å; P223-Q226 PolarHBondContact O-N 3.37Å; V224-Q226 VanDerWaalsContact C-N 3.34Å; V224-Q226 PolarHBondContact O-N 2.87Å; Q226-N229 PolarHBondContact O-N 2.93Å; Q226-K230 WeakPolarHBondContact O-CB 3.33Å; Q226-K230 PolarHBondContact O-N 3.05Å
227E76Confident75.7Confident81 Ų8163.1 Ų63.138%0.37933%0.329SS..Hα-helixtrans-65.3-42.1177.8-17854.7-151.400111.2P223 V224 N229 K230 Q231P223-E227 WeakPolarHBondContact O-CB 3.5Å; P223-E227 PolarHBondContact O-N 3.37Å; V224-E227 PolarHBondContact O-N 2.99Å; E227-N229 PolarHBondContact O-N 3.04Å; E227-K230 WeakPolarHBondContact O-CB 3.37Å; E227-K230 PolarHBondContact O-N 3.31Å; E227-Q231 WeakPolarHBondContact O-CG 3.39Å; E227-Q231 PolarHBondContact O-N 3.39Å; E227-Q231 PolarHBondContact OE1-NE2 2.96Å
228I74Confident77.3Confident28 Ų2858.1 Ų58.114%0.14431%0.307CS..Hα-helixtrans-58.6-49.7174.1-68.2158.3000110.8L148 V224 I225 K230 Q231 F232L148-I228 HydrophobicContact CB-CD1 4.29Å; L148-I228 HydrophobicContact CD1-CB 4.3Å; L148-I228 HydrophobicContact CD1-CD1 3.39Å; L148-I228 HydrophobicContact CD1-CG1 3.77Å; L148-I228 HydrophobicContact CD1-CG2 3.54Å; L148-I228 HydrophobicContact CG-CD1 4.49Å; V224-I228 HydrophobicContact CG1-CD1 3.78Å; V224-I228 WeakPolarHBondContact O-CD1 3.46Å; V224-I228 VanDerWaalsContact O-CG1 3.23Å; V224-I228 WeakPolarHBondContact O-CG1 3.29Å; V224-I228 PolarHBondContact O-N 3.15Å; I225-I228 PolarHBondContact O-N 3.04Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.34Å; I228-Q231 PolarHBondContact O-N 3.34Å; I228-Q231 VanDerWaalsContact O-N 3.11Å; I228-F232 HydrophobicContact CG2-CD1 4.46Å; I228-F232 HydrophobicContact CG2-CD2 4.09Å; I228-F232 HydrophobicContact CG2-CE1 4Å; I228-F232 HydrophobicContact CG2-CE2 3.6Å; I228-F232 HydrophobicContact CG2-CG 4.47Å; I228-F232 HydrophobicContact CG2-CZ 3.51Å; I228-F232 WeakPolarHBondContact O-CG 3.49Å; I228-F232 PolarHBondContact O-N 3.31Å
229N77.1Confident79Confident30 Ų3055.6 Ų55.616%0.1629%0.294CS..Hα-helixtrans-59.6-41.5178.8-166.214.4000111.7P176 I225 Q226 E227 Q231 F232 K233P176-N229 HydrophobicContact CB-CB 3.62Å; P176-N229 HydrophobicContact CG-CB 4.17Å; I225-N229 WeakPolarHBondContact O-CB 3.25Å; I225-N229 PolarHBondContact O-N 2.75Å; Q226-N229 PolarHBondContact O-N 2.93Å; E227-N229 PolarHBondContact O-N 3.04Å; N229-Q231 VanDerWaalsContact C-N 3.33Å; N229-Q231 PolarHBondContact O-N 3.38Å; N229-F232 PolarHBondContact O-N 2.93Å; N229-K233 WeakPolarHBondContact O-CG 3.16Å; N229-K233 PolarHBondContact O-N 3.18Å; N229-K233 VanDerWaalsContact O-N 3.1Å
230K84.1Confident80.5Confident145 Ų14550.7 Ų50.763%0.6327%0.271SS*.Hα-helixtrans-63.7-38.7176.5-177-175.8174.7-168.60111.9Q226 E227 I228 N234Q226-K230 WeakPolarHBondContact O-CB 3.33Å; Q226-K230 PolarHBondContact O-N 3.05Å; E227-K230 WeakPolarHBondContact O-CB 3.37Å; E227-K230 PolarHBondContact O-N 3.31Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 3.34Å; K230-N234 PolarHBondContact O-N 3.1Å
231Q83.6Confident82.1Confident35 Ų3548.8 Ų48.816%0.16425%0.252CS..Hα-helixtrans-67.4-43.1175.4-70.8-174.923.600111.6E227 I228 N229 K233 N234 K237 T238E227-Q231 WeakPolarHBondContact O-CG 3.39Å; E227-Q231 PolarHBondContact O-N 3.39Å; E227-Q231 PolarHBondContact OE1-NE2 2.96Å; I228-Q231 PolarHBondContact O-N 3.34Å; I228-Q231 VanDerWaalsContact O-N 3.11Å; N229-Q231 VanDerWaalsContact C-N 3.33Å; N229-Q231 PolarHBondContact O-N 3.38Å; Q231-K233 VanDerWaalsContact C-N 3.28Å; Q231-K233 PolarHBondContact O-N 2.77Å; Q231-N234 WeakPolarHBondContact O-CB 3.39Å; Q231-N234 PolarHBondContact O-N 3.09Å; Q231-K237 HydrophobicContact CG-CD 4.26Å; Q231-T238 PolarHBondContact O-OG1 2.83Å; Q231-T238 VanDerWaalsContact O-OG1 3.07Å
232F83.7Confident83.6Confident5 Ų544.5 Ų44.52%0.02223%0.23CC..Hα-helixtrans-66.5-29.9-178.8-70.1-0.5000114W16 F18 F144 L148 L173 I228 N229 N234 T238W16-F232 HydrophobicContact CB-CE1 4.4Å; W16-F232 HydrophobicContact CD2-CE1 4.13Å; W16-F232 HydrophobicContact CG-CD1 4.36Å; W16-F232 AromaticContact CG-CE1 3.96Å; W16-F232 HydrophobicContact CG-CE1 3.96Å; F18-F232 HydrophobicContact CE2-CD1 4.25Å; F18-F232 HydrophobicContact CE2-CE1 4.12Å; F18-F232 HydrophobicContact CE2-CE2 4.41Å; F18-F232 HydrophobicContact CE2-CZ 4.23Å; F18-F232 HydrophobicContact CZ-CD1 4.49Å; F18-F232 HydrophobicContact CZ-CD2 4.38Å; F18-F232 AromaticContact CZ-CE1 4Å; F18-F232 HydrophobicContact CZ-CE1 4Å; F18-F232 AromaticContact CZ-CE2 3.84Å; F18-F232 HydrophobicContact CZ-CE2 3.84Å; F18-F232 AromaticContact CZ-CZ 3.68Å; F18-F232 HydrophobicContact CZ-CZ 3.68Å; F144-F232 AromaticContact CE1-CE2 3.5Å; F144-F232 HydrophobicContact CE1-CE2 3.5Å; F144-F232 AromaticContact CE1-CZ 3.66Å; F144-F232 HydrophobicContact CE1-CZ 3.66Å; F144-F232 AromaticContact CZ-CE2 3.54Å; F144-F232 HydrophobicContact CZ-CE2 3.54Å; F144-F232 AromaticContact CZ-CZ 3.42Å; F144-F232 HydrophobicContact CZ-CZ 3.42Å; F144-F232 VanDerWaalsContact CZ-CZ 3.42Å; L148-F232 HydrophobicContact CD1-CZ 4.28Å; L148-F232 HydrophobicContact CD2-CZ 4.43Å; L173-F232 HydrophobicContact CD2-CD2 4.09Å; L173-F232 HydrophobicContact CD2-CE2 4.19Å; I228-F232 HydrophobicContact CG2-CD1 4.46Å; I228-F232 HydrophobicContact CG2-CD2 4.09Å; I228-F232 HydrophobicContact CG2-CE1 4Å; I228-F232 HydrophobicContact CG2-CE2 3.6Å; I228-F232 HydrophobicContact CG2-CG 4.47Å; I228-F232 HydrophobicContact CG2-CZ 3.51Å; I228-F232 WeakPolarHBondContact O-CG 3.49Å; I228-F232 PolarHBondContact O-N 3.31Å; N229-F232 PolarHBondContact O-N 2.93Å; F232-N234 VanDerWaalsContact C-N 3.26Å; F232-T238 WeakPolarHBondContact CA-OG1 3.27Å; F232-T238 HydrophobicContact CB-CG2 4.38Å; F232-T238 HydrophobicContact CD1-CG2 4.18Å; F232-T238 HydrophobicContact CG-CG2 4.49Å
233K87.6Confident85.1Confident72 Ų7242.1 Ų42.131%0.31322%0.221SC..THydrogen-bonded Turntrans-80-5.4172.7-69.2-179.2165.8-1470114N229 Q231 P235 E265N229-K233 WeakPolarHBondContact O-CG 3.16Å; N229-K233 PolarHBondContact O-N 3.18Å; N229-K233 VanDerWaalsContact O-N 3.1Å; Q231-K233 VanDerWaalsContact C-N 3.28Å; Q231-K233 PolarHBondContact O-N 2.77Å; K233-P235 VanDerWaalsContact O-CD 3.25Å; K233-P235 WeakPolarHBondContact O-CD 3.25Å; K233-E265 HydrophobicContact CD-CB 4.41Å; K233-E265 WeakPolarHBondContact CE-OE2 3.42Å; K233-E265 HydrophobicContact CG-CB 4.23Å; K233-E265 VanDerWaalsContact NZ-CD 3.28Å; K233-E265 IonicContact NZ-OE1 3.47Å; K233-E265 PolarHBondContact NZ-OE1 3.23Å; K233-E265 IonicContact NZ-OE2 2.71Å; K233-E265 PolarHBondContact NZ-OE2 2.8Å
234N92.1Very high86.4Confident60 Ų6039 Ų3932%0.32120%0.201SC..  trans-91.5107.3-179.6-174.7-14000110.2K230 Q231 F232 A236 K237 T238K230-N234 PolarHBondContact O-N 3.1Å; Q231-N234 WeakPolarHBondContact O-CB 3.39Å; Q231-N234 PolarHBondContact O-N 3.09Å; F232-N234 VanDerWaalsContact C-N 3.26Å; N234-A236 PolarHBondContact O-N 3.3Å; N234-A236 WeakPolarHBondContact OD1-CB 3.44Å; N234-A236 PolarHBondContact OD1-N 3.05Å; N234-K237 HydrophobicContact CB-CB 4.26Å; N234-K237 PolarHBondContact O-N 2.81Å; N234-T238 PolarHBondContact O-N 3.09Å
235P93.6Very high87.8Confident68 Ų6835.8 Ų35.844%0.44218%0.18SC..THydrogen-bonded Turntrans-62.9-18.9-17826.3-36.1000113.5R11 K233 D267R11-P235 PolarHBondContact NH1-O 3.24Å; R11-P235 PolarHBondContact NH2-O 3.05Å; K233-P235 VanDerWaalsContact O-CD 3.25Å; K233-P235 WeakPolarHBondContact O-CD 3.25Å; P235-D267 HydrophobicContact CB-CB 3.82Å
236A93.5Very high89.2Confident42 Ų4234.9 Ų34.935%0.34718%0.176SC..THydrogen-bonded Turntrans-76.8-23.9175.200000112.7S13 L14 N234S13-A236 CarbonylContact C-O 3.58Å; S13-A236 VanDerWaalsContact CB-O 3.24Å; S13-A236 WeakPolarHBondContact CB-O 3.47Å; S13-A236 VanDerWaalsContact O-O 3.09Å; S13-A236 PolarHBondContact OG-O 2.85Å; L14-A236 PolarHBondContact N-O 2.86Å; N234-A236 PolarHBondContact O-N 3.3Å; N234-A236 WeakPolarHBondContact OD1-CB 3.44Å; N234-A236 PolarHBondContact OD1-N 3.05Å
237K92.5Very high90.3Very high60 Ų6033.7 Ų33.726%0.26117%0.17SC..THydrogen-bonded Turntrans-109.5-32.5-175.3-71.2-171.4164.8-144.30113.7Q15 W16 Q231 N234Q15-K237 PolarHBondContact N-O 2.76Å; W16-K237 PolarHBondContact N-O 2.99Å; Q231-K237 HydrophobicContact CG-CD 4.26Å; N234-K237 HydrophobicContact CB-CB 4.26Å; N234-K237 PolarHBondContact O-N 2.81Å
238T92.7Very high91.1Very high0 Ų035.7 Ų35.70%018%0.178CC..EExtended strand (participates in β ladder)trans-127.7139-174.7-59.70000110.9W16 F18 Q231 F232 N234 M266 D267W16-T238 HydrophobicContact CB-CG2 4.01Å; W16-T238 WeakPolarHBondContact CB-OG1 3.38Å; W16-T238 VanDerWaalsContact CD1-OG1 3.31Å; W16-T238 VanDerWaalsContact O-CA 3.26Å; W16-T238 WeakPolarHBondContact O-CA 3.26Å; F18-T238 HydrophobicContact CD2-CG2 3.9Å; F18-T238 HydrophobicContact CE2-CG2 3.74Å; Q231-T238 PolarHBondContact O-OG1 2.83Å; Q231-T238 VanDerWaalsContact O-OG1 3.07Å; F232-T238 WeakPolarHBondContact CA-OG1 3.27Å; F232-T238 HydrophobicContact CB-CG2 4.38Å; F232-T238 HydrophobicContact CD1-CG2 4.18Å; F232-T238 HydrophobicContact CG-CG2 4.49Å; N234-T238 PolarHBondContact O-N 3.09Å; T238-M266 HydrophobicContact CG2-CE 4.1Å; T238-D267 WeakPolarHBondContact O-CB 3.21Å
239T95.1Very high92Very high0 Ų039.6 Ų39.60%020%0.198CC..EExtended strand (participates in β ladder)trans-145.4157.5172.4-164.20000111L8 L14 W16 I17 F18 D267L8-T239 HydrophobicContact CD1-CG2 3.71Å; L8-T239 HydrophobicContact CG-CG2 4.35Å; L14-T239 HydrophobicContact CD1-CG2 3.91Å; L14-T239 HydrophobicContact CD2-CG2 3.91Å; W16-T239 PolarHBondContact O-N 2.98Å; W16-T239 VanDerWaalsContact O-N 3.11Å; I17-T239 WeakPolarHBondContact CA-O 3.38Å; I17-T239 HydrophobicContact CG1-CG2 4.17Å; I17-T239 HydrophobicContact CG2-CG2 4.32Å; F18-T239 PolarHBondContact N-O 2.81Å; T239-D267 CarbonylContact C-O 3.57Å; T239-D267 WeakPolarHBondContact CA-O 3.41Å; T239-D267 VanDerWaalsContact CB-OD2 3.28Å; T239-D267 WeakPolarHBondContact CB-OD2 3.47Å; T239-D267 PolarHBondContact OG1-OD2 3.43Å
240F95.2Very high92.8Very high1 Ų138.3 Ų38.30%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-118.9125177.7-162.9-70.3000110.4F18 T169 L173 L257 L261 M266 D267 T268F18-F240 HydrophobicContact CB-CB 4.47Å; F18-F240 HydrophobicContact CB-CD2 3.36Å; F18-F240 HydrophobicContact CB-CE2 3.73Å; F18-F240 HydrophobicContact CB-CG 4.04Å; F18-F240 HydrophobicContact CG-CD2 4.24Å; F18-F240 CarbonylContact O-C 3.58Å; F18-F240 WeakPolarHBondContact O-CA 3.25Å; T169-F240 HydrophobicContact CG2-CE2 4.07Å; T169-F240 HydrophobicContact CG2-CZ 4.45Å; L173-F240 HydrophobicContact CD1-CD2 4.31Å; L173-F240 HydrophobicContact CD1-CE2 4.11Å; F240-L257 HydrophobicContact CE1-CD2 3.75Å; F240-L257 HydrophobicContact CE1-CG 4.37Å; F240-L257 HydrophobicContact CZ-CD1 4.21Å; F240-L257 HydrophobicContact CZ-CD2 4.04Å; F240-L261 HydrophobicContact CB-CD1 3.95Å; F240-L261 HydrophobicContact CB-CD2 4.35Å; F240-L261 HydrophobicContact CD1-CD1 3.49Å; F240-L261 VanDerWaalsContact CD1-CD1 3.49Å; F240-L261 HydrophobicContact CD2-CD1 3.93Å; F240-L261 HydrophobicContact CD2-CD2 3.56Å; F240-L261 HydrophobicContact CD2-CG 4.41Å; F240-L261 HydrophobicContact CE1-CD1 3.93Å; F240-L261 HydrophobicContact CE2-CD1 4.31Å; F240-L261 HydrophobicContact CE2-CD2 3.95Å; F240-L261 HydrophobicContact CG-CD1 3.51Å; F240-L261 HydrophobicContact CG-CD2 3.95Å; F240-L261 HydrophobicContact CG-CG 4.4Å; F240-L261 HydrophobicContact CZ-CD1 4.3Å; F240-M266 HydrophobicContact CD2-CE 4.46Å; F240-D267 PolarHBondContact N-O 3.09Å; F240-T268 WeakPolarHBondContact O-CA 3.42Å; F240-T268 WeakPolarHBondContact O-CB 3.41Å; F240-T268 PolarHBondContact O-OG1 2.79Å
241V96.5Very high93.2Very high0 Ų031.9 Ų31.90%016%0.164CC..EExtended strand (participates in β ladder)trans-101115.6175.3-176.30000108.8L8 I17 F18 V19 G20 L34 N270 L272L8-V241 HydrophobicContact CD1-CG2 3.55Å; I17-V241 HydrophobicContact CG2-CG2 4.05Å; F18-V241 PolarHBondContact O-N 3.34Å; V19-V241 WeakPolarHBondContact CA-O 3.49Å; V19-V241 HydrophobicContact CG2-CB 4.35Å; G20-V241 PolarHBondContact N-O 3.2Å; G20-V241 VanDerWaalsContact N-O 3.1Å; L34-V241 HydrophobicContact CD2-CG2 4.24Å; V241-N270 HydrophobicContact CG1-CB 4.21Å; V241-N270 HydrophobicContact CG2-CB 4.19Å; V241-L272 HydrophobicContact CG1-CD1 3.92Å; V241-L272 HydrophobicContact CG1-CG 3.83Å
242C95.9Very high93.7Very high0 Ų036.4 Ų36.40%018%0.181CC..EExtended strand (participates in β ladder)trans-84.2136.5177-67.40000110.3G20 T254 N270 I271 L272G20-C242 CarbonylContact O-C 3.55Å; G20-C242 WeakPolarHBondContact O-CA 3.47Å; C242-T254 HydrophobicContact CB-CG2 4.1Å; C242-N270 PolarHBondContact N-O 2.89Å; C242-I271 HydrophobicContact CB-CG1 4.21Å; C242-I271 CarbonylContact O-C 3.53Å; C242-I271 WeakPolarHBondContact O-CA 3.03Å; C242-L272 PolarHBondContact O-N 2.84Å
243V96.6Very high94.1Very high0 Ų038 Ų380%019%0.188CC..EExtended strand (participates in β ladder)trans-116.6131.2173.5-169.50000109.2V19 G20 G21 V25 K27 C30 L272V19-V243 HydrophobicContact CG1-CG2 3.55Å; G20-V243 PolarHBondContact O-N 2.82Å; G21-V243 WeakPolarHBondContact CA-O 3.48Å; V25-V243 HydrophobicContact CB-CG1 4.43Å; V25-V243 HydrophobicContact CG2-CB 4.04Å; V25-V243 HydrophobicContact CG2-CG1 3.81Å; K27-V243 HydrophobicContact CG-CB 4.39Å; C30-V243 HydrophobicContact CB-CG1 4.49Å; C30-V243 HydrophobicContact CB-CG2 4.08Å; V243-L272 WeakPolarHBondContact CA-O 3.44Å; V243-L272 HydrophobicContact CG1-CB 4.33Å; V243-L272 HydrophobicContact CG2-CB 4.32Å; V243-L272 HydrophobicContact CG2-CD1 4.22Å
244C96.8Very high94.3Very high1 Ų134.6 Ų34.61%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-145.4172.5-179.170.40000111.3S250 T254 L272 V273 N274C244-S250 WeakPolarHBondContact CB-OG 3.32Å; C244-T254 VanDerWaalsContact CB-OG1 3.27Å; C244-T254 WeakPolarHBondContact CB-OG1 3.34Å; C244-L272 PolarHBondContact N-O 3.23Å; C244-V273 CarbonylContact O-C 3.59Å; C244-V273 WeakPolarHBondContact O-CA 3.41Å; C244-N274 PolarHBondContact O-N 3.03Å
245I97.1Very high94.4Very high19 Ų1935.2 Ų35.210%0.09717%0.174CC..EExtended strand (participates in β ladder)trans-119157.4167.959178.8000108.9V25 E247 S250 Q275V25-I245 HydrophobicContact CB-CG2 4.01Å; V25-I245 HydrophobicContact CG1-CG1 4.25Å; V25-I245 HydrophobicContact CG1-CG2 4.14Å; I245-E247 HydrophobicContact CD1-CB 4.45Å; I245-E247 HydrophobicContact CD1-CG 4.11Å; I245-E247 WeakPolarHBondContact CD1-OE1 3.22Å; I245-E247 HydrophobicContact CG1-CB 4.26Å; I245-E247 HydrophobicContact CG1-CG 4.22Å; I245-E247 PolarHBondContact O-N 2.9Å; I245-S250 VanDerWaalsContact CG1-CB 3.49Å; I245-S250 PolarHBondContact N-OG 2.83Å; I245-S250 VanDerWaalsContact N-OG 3.09Å; I245-S250 WeakPolarHBondContact O-CB 3.27Å; I245-Q275 HydrophobicContact CG2-CB 4.17Å; I245-Q275 HydrophobicContact CG2-CG 4.16Å
246A96.7Very high94.3Very high0 Ų038.3 Ų38.30%018%0.177CC..SBendtrans-75.965.7-179.500000112.6V273 L276 Q297A246-V273 HydrophobicContact CB-CG1 4.1Å; A246-L276 HydrophobicContact CB-CD2 3.73Å; A246-Q297 HydrophobicContact CB-CB 3.84Å; A246-Q297 HydrophobicContact CB-CG 3.98Å
247E95.5Very high94.2Very high61 Ų6136.4 Ų36.429%0.28516%0.161SC..SBendtrans-140.2148.7177-65.5-166-126.500111.4I245 L249 S250 L251 R293I245-E247 HydrophobicContact CD1-CB 4.45Å; I245-E247 HydrophobicContact CD1-CG 4.11Å; I245-E247 WeakPolarHBondContact CD1-OE1 3.22Å; I245-E247 HydrophobicContact CG1-CB 4.26Å; I245-E247 HydrophobicContact CG1-CG 4.22Å; I245-E247 PolarHBondContact O-N 2.9Å; E247-L249 PolarHBondContact O-N 3.46Å; E247-S250 PolarHBondContact O-N 3.2Å; E247-L251 PolarHBondContact O-N 3.44Å; E247-R293 IonicContact OE1-CZ 3.54Å; E247-R293 IonicContact OE1-NH1 2.88Å; E247-R293 IonicContact OE1-NH2 3.8Å; E247-R293 PolarHBondContact OE1-NH2 3.37Å; E247-R293 IonicContact OE2-CZ 3.93Å; E247-R293 IonicContact OE2-NH1 3.75Å; E247-R293 PolarHBondContact OE2-NH1 3.34Å; E247-R293 IonicContact OE2-NH2 3.97Å
248F93.7Very high94.2Very high123 Ų12334.5 Ų34.554%0.53916%0.155SC..Hα-helixtrans-49.5-53.4-177.6179.1-105.5000114.2S250 L251 Y252 Y300F248-S250 VanDerWaalsContact C-N 3.25Å; F248-S250 PolarHBondContact O-N 3.29Å; F248-L251 PolarHBondContact O-N 2.87Å; F248-Y252 WeakPolarHBondContact O-CB 3.4Å; F248-Y252 PolarHBondContact O-N 2.97Å; F248-Y300 HydrophobicContact CB-CE1 3.78Å; F248-Y300 HydrophobicContact CB-CE2 4.44Å; F248-Y300 HydrophobicContact CD2-CE1 4.21Å
249L92.5Very high94.2Very high109 Ų10939.1 Ų39.157%0.57118%0.176SC*.Hα-helixtrans-69.2-23.8-176.7-71.3176.1000113.1E247E247-L249 PolarHBondContact O-N 3.46Å
250S94.2Very high94Very high3 Ų340.9 Ų40.92%0.02119%0.186CC..Hα-helixtrans-78.4-43.8174.1-170.80000110.1C244 I245 E247 F248 E253 T254C244-S250 WeakPolarHBondContact CB-OG 3.32Å; I245-S250 VanDerWaalsContact CG1-CB 3.49Å; I245-S250 PolarHBondContact N-OG 2.83Å; I245-S250 VanDerWaalsContact N-OG 3.09Å; I245-S250 WeakPolarHBondContact O-CB 3.27Å; E247-S250 PolarHBondContact O-N 3.2Å; F248-S250 VanDerWaalsContact C-N 3.25Å; F248-S250 PolarHBondContact O-N 3.29Å; S250-E253 PolarHBondContact O-N 3.03Å; S250-T254 PolarHBondContact O-N 2.92Å; S250-T254 PolarHBondContact O-OG1 2.91Å; S250-T254 VanDerWaalsContact O-OG1 3.11Å
251L93.2Very high93.8Very high10 Ų1040.8 Ų40.85%0.05219%0.185CC..Hα-helixtrans-60.5-46.9178.3-178.655.2000111.9E247 F248 E253 T254 E255 Y300 Q303 I304 Y308E247-L251 PolarHBondContact O-N 3.44Å; F248-L251 PolarHBondContact O-N 2.87Å; L251-E253 VanDerWaalsContact C-N 3.3Å; L251-E253 PolarHBondContact O-N 3.47Å; L251-T254 PolarHBondContact O-N 3.41Å; L251-E255 PolarHBondContact O-N 2.6Å; L251-Y300 HydrophobicContact CD2-CD1 4.43Å; L251-Q303 HydrophobicContact CD2-CB 4.22Å; L251-I304 HydrophobicContact CD1-CD1 4.18Å; L251-I304 HydrophobicContact CD1-CG1 3.44Å; L251-I304 VanDerWaalsContact CD1-CG1 3.44Å; L251-I304 HydrophobicContact CD2-CG1 4.17Å; L251-I304 HydrophobicContact CG-CG1 4.38Å; L251-Y308 HydrophobicContact CD1-CE2 4.11Å
252Y92.6Very high93.5Very high130 Ų13043.9 Ų43.951%0.5121%0.211SC..Hα-helixtrans-58.5-41.1177.2178.4-96.5000112.6F248 E255 R256F248-Y252 WeakPolarHBondContact O-CB 3.4Å; F248-Y252 PolarHBondContact O-N 2.97Å; Y252-E255 PolarHBondContact O-N 2.9Å; Y252-R256 PolarHBondContact O-N 3.04Å; Y252-R256 VanDerWaalsContact O-N 3.09Å
253E92.2Very high93.2Very high39 Ų3950.2 Ų50.218%0.18224%0.238CC..Hα-helixtrans-72-36.1179.1-167.862.3-158.800111.8K22 T166 S250 L251 R256 L257K22-E253 HydrophobicContact CB-CG 4.24Å; K22-E253 HydrophobicContact CD-CB 4.38Å; K22-E253 HydrophobicContact CG-CG 4.41Å; T166-E253 HydrophobicContact CG2-CG 4.01Å; T166-E253 PolarHBondContact OG1-OE1 3.38Å; S250-E253 PolarHBondContact O-N 3.03Å; L251-E253 VanDerWaalsContact C-N 3.3Å; L251-E253 PolarHBondContact O-N 3.47Å; E253-R256 PolarHBondContact O-N 3.4Å; E253-L257 WeakPolarHBondContact O-CB 3.21Å; E253-L257 PolarHBondContact O-N 3.24Å
254T93.1Very high92.7Very high1 Ų151.6 Ų51.61%0.00625%0.246CC..Hα-helixtrans-65.8-41.5173.2-630000111.6C242 C244 S250 L251 R256 L257 V258C242-T254 HydrophobicContact CB-CG2 4.1Å; C244-T254 VanDerWaalsContact CB-OG1 3.27Å; C244-T254 WeakPolarHBondContact CB-OG1 3.34Å; S250-T254 PolarHBondContact O-N 2.92Å; S250-T254 PolarHBondContact O-OG1 2.91Å; S250-T254 VanDerWaalsContact O-OG1 3.11Å; L251-T254 PolarHBondContact O-N 3.41Å; T254-R256 PolarHBondContact O-N 3.29Å; T254-L257 WeakPolarHBondContact O-CB 3.28Å; T254-L257 PolarHBondContact O-N 3.03Å; T254-V258 HydrophobicContact CG2-CG2 4.43Å; T254-V258 WeakPolarHBondContact O-CG2 3.34Å; T254-V258 PolarHBondContact O-N 3.07Å
255E92.9Very high92.3Very high72 Ų7257.2 Ų57.234%0.33627%0.272SS..Hα-helixtrans-59.8-47.1174.9-172.5-171.6162.500111.4L251 Y252 L257 V258 Q259 Y308L251-E255 PolarHBondContact O-N 2.6Å; Y252-E255 PolarHBondContact O-N 2.9Å; E255-L257 VanDerWaalsContact C-N 3.31Å; E255-L257 PolarHBondContact O-N 3.43Å; E255-V258 PolarHBondContact O-N 2.91Å; E255-Q259 WeakPolarHBondContact O-CG 3.31Å; E255-Q259 PolarHBondContact O-N 2.99Å; E255-Q259 PolarHBondContact OE1-NE2 2.92Å; E255-Y308 WeakPolarHBondContact CA-OH 3.45Å; E255-Y308 WeakPolarHBondContact CB-OH 3.5Å
256R92Very high92Very high133 Ų13357 Ų5750%0.50227%0.271SS..Hα-helixtrans-58.2-43.9174.7-175.3-179.4-179.4178.33.2111.9Y252 E253 T254 Q259 D260Y252-R256 PolarHBondContact O-N 3.04Å; Y252-R256 VanDerWaalsContact O-N 3.09Å; E253-R256 PolarHBondContact O-N 3.4Å; T254-R256 PolarHBondContact O-N 3.29Å; R256-Q259 PolarHBondContact O-N 3.44Å; R256-D260 WeakPolarHBondContact O-CB 3.4Å; R256-D260 PolarHBondContact O-N 2.65Å
257L92Very high91.9Very high2 Ų258 Ų581%0.0128%0.276CS..Hα-helixtrans-60.7-48.4177.5177.364000111.6T166 L170 F240 E253 T254 E255 Q259 D260 L261T166-L257 HydrophobicContact CG2-CB 4.24Å; T166-L257 HydrophobicContact CG2-CD1 4.28Å; T166-L257 HydrophobicContact CG2-CD2 3.86Å; T166-L257 HydrophobicContact CG2-CG 4.36Å; L170-L257 HydrophobicContact CD1-CD1 4.03Å; L170-L257 HydrophobicContact CD2-CD1 3.98Å; L170-L257 HydrophobicContact CG-CD1 3.96Å; F240-L257 HydrophobicContact CE1-CD2 3.75Å; F240-L257 HydrophobicContact CE1-CG 4.37Å; F240-L257 HydrophobicContact CZ-CD1 4.21Å; F240-L257 HydrophobicContact CZ-CD2 4.04Å; E253-L257 WeakPolarHBondContact O-CB 3.21Å; E253-L257 PolarHBondContact O-N 3.24Å; T254-L257 WeakPolarHBondContact O-CB 3.28Å; T254-L257 PolarHBondContact O-N 3.03Å; E255-L257 VanDerWaalsContact C-N 3.31Å; E255-L257 PolarHBondContact O-N 3.43Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 2.85Å; L257-D260 PolarHBondContact O-N 3.25Å; L257-L261 HydrophobicContact CD1-CD1 4.23Å; L257-L261 HydrophobicContact CD1-CG 4.28Å; L257-L261 HydrophobicContact CG-CD1 3.99Å; L257-L261 HydrophobicContact CG-CG 4.47Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.79Å
258V92.7Very high91.8Very high21 Ų2156 Ų5613%0.12727%0.268CS..Hα-helixtrans-60.5-43.9178.4171.70000110.9T254 E255 D260 L261 A262 T268 Y308 F311T254-V258 HydrophobicContact CG2-CG2 4.43Å; T254-V258 WeakPolarHBondContact O-CG2 3.34Å; T254-V258 PolarHBondContact O-N 3.07Å; E255-V258 PolarHBondContact O-N 2.91Å; V258-D260 VanDerWaalsContact C-N 3.33Å; V258-D260 PolarHBondContact O-N 3.2Å; V258-L261 PolarHBondContact O-N 3.28Å; V258-A262 PolarHBondContact O-N 3.14Å; V258-T268 HydrophobicContact CG1-CG2 4.17Å; V258-Y308 HydrophobicContact CG1-CE1 4.34Å; V258-Y308 HydrophobicContact CG2-CE1 4.31Å; V258-F311 HydrophobicContact CG1-CZ 4.06Å
259Q91.9Very high91.8Very high96 Ų9653.8 Ų53.845%0.44926%0.259SS..Hα-helixtrans-61.8-39.6175.9-71.117710.300112.6E255 R256 L257 K263E255-Q259 WeakPolarHBondContact O-CG 3.31Å; E255-Q259 PolarHBondContact O-N 2.99Å; E255-Q259 PolarHBondContact OE1-NE2 2.92Å; R256-Q259 PolarHBondContact O-N 3.44Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 2.85Å; Q259-K263 WeakPolarHBondContact O-CG 3.46Å; Q259-K263 PolarHBondContact O-N 3.11Å
260D89.9Confident92Very high37 Ų3748.8 Ų48.820%0.19823%0.233CC..Hα-helixtrans-72.8-36178.5-73.5-21.6000112L170 R256 L257 V258 K263 L264L170-D260 HydrophobicContact CD1-CB 3.48Å; L170-D260 VanDerWaalsContact CD1-CB 3.48Å; L170-D260 WeakPolarHBondContact CD1-OD2 3.38Å; L170-D260 HydrophobicContact CD2-CB 3.87Å; L170-D260 HydrophobicContact CG-CB 4.31Å; R256-D260 WeakPolarHBondContact O-CB 3.4Å; R256-D260 PolarHBondContact O-N 2.65Å; L257-D260 PolarHBondContact O-N 3.25Å; V258-D260 VanDerWaalsContact C-N 3.33Å; V258-D260 PolarHBondContact O-N 3.2Å; D260-K263 WeakPolarHBondContact O-CB 3.19Å; D260-K263 PolarHBondContact O-N 2.79Å; D260-K263 IonicContact OD1-NZ 3.76Å; D260-K263 PolarHBondContact OD1-NZ 3.21Å; D260-L264 WeakPolarHBondContact O-CG 3.35Å; D260-L264 PolarHBondContact O-N 2.78Å; D260-L264 VanDerWaalsContact O-N 3.14Å
261L91Very high92.1Very high0 Ų048.6 Ų48.60%023%0.232CC..Hα-helixtrans-62.5-40.9171.4-70.9168.7000111.9L170 L173 F240 L257 V258 K263 L264 E265 M266 T268L170-L261 HydrophobicContact CD2-CD2 4.16Å; L170-L261 HydrophobicContact CD2-CG 4.35Å; L173-L261 HydrophobicContact CD1-CD2 4.09Å; F240-L261 HydrophobicContact CB-CD1 3.95Å; F240-L261 HydrophobicContact CB-CD2 4.35Å; F240-L261 HydrophobicContact CD1-CD1 3.49Å; F240-L261 VanDerWaalsContact CD1-CD1 3.49Å; F240-L261 HydrophobicContact CD2-CD1 3.93Å; F240-L261 HydrophobicContact CD2-CD2 3.56Å; F240-L261 HydrophobicContact CD2-CG 4.41Å; F240-L261 HydrophobicContact CE1-CD1 3.93Å; F240-L261 HydrophobicContact CE2-CD1 4.31Å; F240-L261 HydrophobicContact CE2-CD2 3.95Å; F240-L261 HydrophobicContact CG-CD1 3.51Å; F240-L261 HydrophobicContact CG-CD2 3.95Å; F240-L261 HydrophobicContact CG-CG 4.4Å; F240-L261 HydrophobicContact CZ-CD1 4.3Å; L257-L261 HydrophobicContact CD1-CD1 4.23Å; L257-L261 HydrophobicContact CD1-CG 4.28Å; L257-L261 HydrophobicContact CG-CD1 3.99Å; L257-L261 HydrophobicContact CG-CG 4.47Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.79Å; V258-L261 PolarHBondContact O-N 3.28Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 2.82Å; L261-L264 CarbonylContact O-C 3.37Å; L261-L264 WeakPolarHBondContact O-CA 3.47Å; L261-L264 WeakPolarHBondContact O-CB 3.32Å; L261-L264 PolarHBondContact O-N 3.4Å; L261-E265 PolarHBondContact O-N 3.32Å; L261-E265 VanDerWaalsContact O-N 3.13Å; L261-M266 HydrophobicContact CD2-CB 4.2Å; L261-M266 HydrophobicContact CD2-SD 4.1Å; L261-M266 PolarHBondContact O-N 3.19Å; L261-M266 VanDerWaalsContact O-N 3.07Å; L261-T268 HydrophobicContact CB-CG2 4.29Å; L261-T268 HydrophobicContact CD1-CG2 4.14Å
262A91.3Very high92.3Very high65 Ų6548.2 Ų48.254%0.53723%0.23SC..Hα-helixtrans-61.7-39.6174.600000112.1V258 L264 E265V258-A262 PolarHBondContact O-N 3.14Å; A262-L264 PolarHBondContact O-N 3.37Å; A262-E265 PolarHBondContact O-N 2.86Å; A262-E265 VanDerWaalsContact O-N 3.07Å
263K89.4Confident92.6Very high132 Ų13242 Ų4257%0.57421%0.205SC*.Hα-helixtrans-66.2-24.5174-67.3168.4-159.8156.90113.2Q259 D260 L261 E265Q259-K263 WeakPolarHBondContact O-CG 3.46Å; Q259-K263 PolarHBondContact O-N 3.11Å; D260-K263 WeakPolarHBondContact O-CB 3.19Å; D260-K263 PolarHBondContact O-N 2.79Å; D260-K263 IonicContact OD1-NZ 3.76Å; D260-K263 PolarHBondContact OD1-NZ 3.21Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 2.82Å; K263-E265 VanDerWaalsContact C-N 3.33Å
264L85.3Confident92.8Very high30 Ų3040.6 Ų40.616%0.15720%0.199CC..THydrogen-bonded Turntrans-87-4174.8-66.3174.7000112.7L170 L173 D260 L261 A262 M266L170-L264 HydrophobicContact CD2-CD1 3.88Å; L173-L264 HydrophobicContact CB-CD1 3.88Å; D260-L264 WeakPolarHBondContact O-CG 3.35Å; D260-L264 PolarHBondContact O-N 2.78Å; D260-L264 VanDerWaalsContact O-N 3.14Å; L261-L264 CarbonylContact O-C 3.37Å; L261-L264 WeakPolarHBondContact O-CA 3.47Å; L261-L264 WeakPolarHBondContact O-CB 3.32Å; L261-L264 PolarHBondContact O-N 3.4Å; A262-L264 PolarHBondContact O-N 3.37Å; L264-M266 HydrophobicContact CB-CG 4.17Å; L264-M266 HydrophobicContact CB-SD 4.47Å; L264-M266 PolarHBondContact O-N 3.1Å
265E89.6Confident93Very high119 Ų11943.4 Ų43.456%0.55621%0.212SC*.THydrogen-bonded Turntrans59.434.5-174.4-59.4160.3-149.400112.4K233 L261 A262 K263K233-E265 HydrophobicContact CD-CB 4.41Å; K233-E265 WeakPolarHBondContact CE-OE2 3.42Å; K233-E265 HydrophobicContact CG-CB 4.23Å; K233-E265 VanDerWaalsContact NZ-CD 3.28Å; K233-E265 IonicContact NZ-OE1 3.47Å; K233-E265 PolarHBondContact NZ-OE1 3.23Å; K233-E265 IonicContact NZ-OE2 2.71Å; K233-E265 PolarHBondContact NZ-OE2 2.8Å; L261-E265 PolarHBondContact O-N 3.32Å; L261-E265 VanDerWaalsContact O-N 3.13Å; A262-E265 PolarHBondContact O-N 2.86Å; A262-E265 VanDerWaalsContact O-N 3.07Å; K263-E265 VanDerWaalsContact C-N 3.33Å
266M90.6Very high93.2Very high14 Ų1440.3 Ų40.37%0.06920%0.198CC..  trans-95.5137.6175.5-70.8-174.666.800111.2F18 L173 T238 F240 L261 L264 T268F18-M266 HydrophobicContact CD2-CE 3.9Å; F18-M266 HydrophobicContact CE2-CE 4.13Å; L173-M266 HydrophobicContact CB-SD 4.06Å; L173-M266 HydrophobicContact CD1-CE 3.92Å; L173-M266 HydrophobicContact CD1-SD 3.65Å; L173-M266 HydrophobicContact CD2-CE 3.77Å; L173-M266 HydrophobicContact CD2-SD 3.79Å; L173-M266 HydrophobicContact CG-CE 4.41Å; L173-M266 HydrophobicContact CG-SD 4.03Å; T238-M266 HydrophobicContact CG2-CE 4.1Å; F240-M266 HydrophobicContact CD2-CE 4.46Å; L261-M266 HydrophobicContact CD2-CB 4.2Å; L261-M266 HydrophobicContact CD2-SD 4.1Å; L261-M266 PolarHBondContact O-N 3.19Å; L261-M266 VanDerWaalsContact O-N 3.07Å; L264-M266 HydrophobicContact CB-CG 4.17Å; L264-M266 HydrophobicContact CB-SD 4.47Å; L264-M266 PolarHBondContact O-N 3.1Å; M266-T268 PolarHBondContact O-N 2.99Å
267D94Very high93.4Very high22 Ų2235.9 Ų35.912%0.11818%0.184CC..  trans-67.7126.6175.9-179.461.9000111.1R11 P235 T238 T239 F240 Q269R11-D267 IonicContact NH2-OD2 3.14Å; P235-D267 HydrophobicContact CB-CB 3.82Å; T238-D267 WeakPolarHBondContact O-CB 3.21Å; T239-D267 CarbonylContact C-O 3.57Å; T239-D267 WeakPolarHBondContact CA-O 3.41Å; T239-D267 VanDerWaalsContact CB-OD2 3.28Å; T239-D267 WeakPolarHBondContact CB-OD2 3.47Å; T239-D267 PolarHBondContact OG1-OD2 3.43Å; F240-D267 PolarHBondContact N-O 3.09Å; D267-Q269 PolarHBondContact OD1-NE2 3.44Å
268T94Very high93.3Very high18 Ų1838.9 Ų38.911%0.1120%0.197CC..EExtended strand (participates in β ladder)trans-142.4116.2169.6-172.30000108.5F240 V258 L261 M266 F311F240-T268 WeakPolarHBondContact O-CA 3.42Å; F240-T268 WeakPolarHBondContact O-CB 3.41Å; F240-T268 PolarHBondContact O-OG1 2.79Å; V258-T268 HydrophobicContact CG1-CG2 4.17Å; L261-T268 HydrophobicContact CB-CG2 4.29Å; L261-T268 HydrophobicContact CD1-CG2 4.14Å; M266-T268 PolarHBondContact O-N 2.99Å; T268-F311 HydrophobicContact CG2-CE1 4.09Å; T268-F311 HydrophobicContact CG2-CZ 4.28Å; T268-F311 WeakPolarHBondContact O-CE1 3.38Å; T268-F311 VanDerWaalsContact O-CZ 3.32Å; T268-F311 WeakPolarHBondContact O-CZ 3.44Å
269Q93.5Very high93Very high77 Ų7739.5 Ų39.536%0.3620%0.202SC..EExtended strand (participates in β ladder)trans-134.42.6-175.7-64.1-177.3-14.200112.1D267 F311 H312D267-Q269 PolarHBondContact OD1-NE2 3.44Å; Q269-F311 WeakPolarHBondContact O-CA 3.48Å; Q269-H312 PolarHBondContact O-N 3.31Å
270N96.3Very high92.5Very high3 Ų339.8 Ų39.82%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-130.4124.7-171-60.4-82.1000109.9L5 V241 C242 H312L5-N270 HydrophobicContact CD2-CB 3.74Å; L5-N270 WeakPolarHBondContact CD2-OD1 3.38Å; V241-N270 HydrophobicContact CG1-CB 4.21Å; V241-N270 HydrophobicContact CG2-CB 4.19Å; C242-N270 PolarHBondContact N-O 2.89Å; N270-H312 WeakPolarHBondContact OD1-CB 3.46Å
271I96.9Very high91.9Very high0 Ų044.2 Ų44.20%024%0.235CC..EExtended strand (participates in β ladder)trans-123.6123.9175.4-56.6-177.8000109C242 V273 Y308 F311 H312 I313 V314C242-I271 HydrophobicContact CB-CG1 4.21Å; C242-I271 CarbonylContact O-C 3.53Å; C242-I271 WeakPolarHBondContact O-CA 3.03Å; I271-V273 HydrophobicContact CG2-CG2 4.31Å; I271-Y308 HydrophobicContact CD1-CD1 3.85Å; I271-Y308 HydrophobicContact CD1-CD2 3.68Å; I271-Y308 HydrophobicContact CD1-CE1 4.18Å; I271-Y308 HydrophobicContact CD1-CE2 4.03Å; I271-Y308 HydrophobicContact CD1-CG 3.59Å; I271-F311 HydrophobicContact CD1-CD1 3.85Å; I271-F311 HydrophobicContact CD1-CE1 4.31Å; I271-F311 HydrophobicContact CD1-CG 4.24Å; I271-F311 HydrophobicContact CG1-CB 4.5Å; I271-F311 HydrophobicContact CG1-CD1 3.7Å; I271-F311 HydrophobicContact CG1-CE1 4.33Å; I271-F311 HydrophobicContact CG1-CG 4.37Å; I271-H312 PolarHBondContact N-O 2.87Å; I271-I313 WeakPolarHBondContact O-CA 3.24Å; I271-V314 PolarHBondContact O-N 3.14Å
272L97.8Very high91.5Very high1 Ų150.8 Ų50.81%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-96.9121.9171.3-56.8-176.7000109.1L5 C30 V241 C242 V243 C244 V314 L316 L336L5-L272 HydrophobicContact CD1-CD1 4.39Å; L5-L272 HydrophobicContact CD1-CD2 3.94Å; L5-L272 HydrophobicContact CD2-CD2 4Å; L5-L272 HydrophobicContact CG-CD2 4Å; C30-L272 HydrophobicContact CB-CD1 3.67Å; V241-L272 HydrophobicContact CG1-CD1 3.92Å; V241-L272 HydrophobicContact CG1-CG 3.83Å; C242-L272 PolarHBondContact O-N 2.84Å; V243-L272 WeakPolarHBondContact CA-O 3.44Å; V243-L272 HydrophobicContact CG1-CB 4.33Å; V243-L272 HydrophobicContact CG2-CB 4.32Å; V243-L272 HydrophobicContact CG2-CD1 4.22Å; C244-L272 PolarHBondContact N-O 3.23Å; L272-V314 HydrophobicContact CD2-CB 3.49Å; L272-V314 VanDerWaalsContact CD2-CB 3.49Å; L272-V314 HydrophobicContact CD2-CG1 4.11Å; L272-V314 HydrophobicContact CD2-CG2 3.73Å; L272-L316 HydrophobicContact CB-CD1 4.26Å; L272-L316 HydrophobicContact CD1-CD1 4.46Å; L272-L336 HydrophobicContact CD1-CD2 3.91Å; L272-L336 HydrophobicContact CD2-CD2 3.82Å
273V97.6Very high91Very high0 Ų051.3 Ų51.30%026%0.264CS..EExtended strand (participates in β ladder)trans-104.5102.7175-170.60000108.3C244 A246 I271 L276 I304 I313 V314 L315 L316C244-V273 CarbonylContact O-C 3.59Å; C244-V273 WeakPolarHBondContact O-CA 3.41Å; A246-V273 HydrophobicContact CB-CG1 4.1Å; I271-V273 HydrophobicContact CG2-CG2 4.31Å; V273-L276 HydrophobicContact CB-CD1 4.26Å; V273-L276 HydrophobicContact CG1-CD1 4.07Å; V273-L276 HydrophobicContact CG1-CD2 3.91Å; V273-L276 HydrophobicContact CG1-CG 4.11Å; V273-I304 HydrophobicContact CG1-CD1 4.41Å; V273-I304 HydrophobicContact CG2-CD1 4.19Å; V273-I304 HydrophobicContact CG2-CG2 4.32Å; V273-I313 HydrophobicContact CG2-CG2 3.87Å; V273-V314 PolarHBondContact N-O 2.85Å; V273-L315 HydrophobicContact CB-CD2 4.16Å; V273-L315 HydrophobicContact CG2-CD2 4.28Å; V273-L316 PolarHBondContact O-N 3.24Å
274N97.6Very high90.6Very high10 Ų1054.2 Ų54.25%0.05328%0.276CS..EExtended strand (participates in β ladder)trans-93.7168.4-174.2-16318.8000112.9V25 C244 L276V25-N274 WeakPolarHBondContact O-CB 3.44Å; V25-N274 PolarHBondContact O-ND2 3.31Å; C244-N274 PolarHBondContact O-N 3.03Å; N274-L276 VanDerWaalsContact C-N 3.26Å; N274-L276 PolarHBondContact O-N 2.98Å
275Q96.9Very high90.6Very high59 Ų5959.7 Ų59.728%0.27631%0.306SS..EExtended strand (participates in β ladder)trans59.933.1174.2-54.517616.100113.4G24 I245 Q297 L316 L318G24-Q275 PolarHBondContact O-NE2 2.97Å; G24-Q275 VanDerWaalsContact O-NE2 3.11Å; I245-Q275 HydrophobicContact CG2-CB 4.17Å; I245-Q275 HydrophobicContact CG2-CG 4.16Å; Q275-Q297 PolarHBondContact O-NE2 2.64Å; Q275-L316 PolarHBondContact N-O 3.06Å; Q275-L318 HydrophobicContact CB-CB 4.46Å; Q275-L318 HydrophobicContact CB-CD1 4.04Å; Q275-L318 HydrophobicContact CG-CD1 4.03Å
276L96.9Very high90.4Very high7 Ų756.5 Ų56.54%0.03730%0.295CS..EExtended strand (participates in β ladder)trans-76.1129.1176.3-67.1172.4000110.4A246 V273 N274 F278 Q297 L315 L316 P317 L318A246-L276 HydrophobicContact CB-CD2 3.73Å; V273-L276 HydrophobicContact CB-CD1 4.26Å; V273-L276 HydrophobicContact CG1-CD1 4.07Å; V273-L276 HydrophobicContact CG1-CD2 3.91Å; V273-L276 HydrophobicContact CG1-CG 4.11Å; N274-L276 VanDerWaalsContact C-N 3.26Å; N274-L276 PolarHBondContact O-N 2.98Å; L276-F278 HydrophobicContact CB-CD2 4.36Å; L276-F278 HydrophobicContact CB-CE2 3.62Å; L276-F278 HydrophobicContact CB-CZ 3.92Å; L276-F278 HydrophobicContact CD1-CZ 4.19Å; L276-Q297 HydrophobicContact CD2-CB 4.41Å; L276-L315 HydrophobicContact CD1-CB 3.61Å; L276-L315 HydrophobicContact CD1-CD2 3.87Å; L276-L315 HydrophobicContact CD1-CG 4.19Å; L276-L316 WeakPolarHBondContact CB-O 3.41Å; L276-L316 PolarHBondContact N-O 2.7Å; L276-L316 VanDerWaalsContact N-O 3.1Å; L276-P317 CarbonylContact O-C 3.58Å; L276-P317 WeakPolarHBondContact O-CA 3.42Å; L276-L318 PolarHBondContact O-N 3.22Å
277L95.2Very high90.3Very high41 Ų4158.7 Ų58.722%0.21531%0.311CS..  trans-84.4131.3171.2-70.6171.2000109.1P279 R293 H294 L318L277-P279 WeakPolarHBondContact O-CD 3.46Å; L277-R293 HydrophobicContact CD1-CB 3.78Å; L277-R293 HydrophobicContact CD1-CG 3.59Å; L277-H294 HydrophobicContact CB-CB 4.5Å; L277-H294 PolarHBondContact O-ND1 3.38Å; L277-L318 HydrophobicContact CD2-CB 4.28Å; L277-L318 HydrophobicContact CD2-CD2 3.71Å; L277-L318 HydrophobicContact CG-CD2 4.45Å
278F91.6Very high90.2Very high65 Ų6566.4 Ų66.429%0.28534%0.344SS..  trans-117.980.6170.8-63-84.3000108.3L276 P317 Y340 P342L276-F278 HydrophobicContact CB-CD2 4.36Å; L276-F278 HydrophobicContact CB-CE2 3.62Å; L276-F278 HydrophobicContact CB-CZ 3.92Å; L276-F278 HydrophobicContact CD1-CZ 4.19Å; F278-P317 HydrophobicContact CD2-CB 4.02Å; F278-P317 HydrophobicContact CE2-CB 4.01Å; F278-Y340 HydrophobicContact CB-CE1 4.24Å; F278-Y340 AromaticContact CD2-CD1 3.68Å; F278-Y340 HydrophobicContact CD2-CD1 3.68Å; F278-Y340 AromaticContact CD2-CE1 3.46Å; F278-Y340 HydrophobicContact CD2-CE1 3.46Å; F278-Y340 VanDerWaalsContact CD2-CE1 3.46Å; F278-Y340 AromaticContact CE2-CD1 3.62Å; F278-Y340 HydrophobicContact CE2-CD1 3.62Å; F278-Y340 AromaticContact CE2-CE1 3.93Å; F278-Y340 HydrophobicContact CE2-CE1 3.93Å; F278-Y340 HydrophobicContact CG-CD1 4.27Å; F278-Y340 AromaticContact CG-CE1 3.91Å; F278-Y340 HydrophobicContact CG-CE1 3.91Å; F278-Y340 HydrophobicContact CZ-CD1 4.19Å; F278-P342 HydrophobicContact CB-CB 3.62Å; F278-P342 HydrophobicContact CB-CG 4.06Å; F278-P342 HydrophobicContact CD1-CG 4.15Å; F278-P342 HydrophobicContact CG-CB 4.19Å; F278-P342 HydrophobicContact CG-CG 4.31Å
279P85.3Confident90.2Very high34 Ų3473.3 Ų73.322%0.22138%0.377CS..  trans-66.7136.817927.7-32.4000110.4L277 T281 L291 H294L277-P279 WeakPolarHBondContact O-CD 3.46Å; P279-T281 PolarHBondContact O-N 3Å; P279-L291 HydrophobicContact CB-CD2 3.93Å; P279-L291 HydrophobicContact CG-CD2 3.87Å; P279-H294 HydrophobicContact CG-CB 3.83Å
280D82.9Confident90.1Very high101 Ų10171.6 Ų71.654%0.5437%0.373SS..  trans-61.1119.6173.9-176.7-3000109.9D282 D283D280-D282 VanDerWaalsContact C-N 3.26Å; D280-D282 PolarHBondContact O-N 3.18Å; D280-D282 PolarHBondContact OD1-N 2.84Å; D280-D283 HydrophobicContact CB-CB 4.21Å
281T76.8Confident89.9Confident130 Ų13075.1 Ų75.180%0.79839%0.391SS*.THydrogen-bonded Turntrans-74.2-19.4179.950.80000112.9P279P279-T281 PolarHBondContact O-N 3Å
282D81.3Confident89.8Confident138 Ų13878 Ų7874%0.73842%0.415SS*.THydrogen-bonded Turntrans-94.8-4.2-177.9-66.5-24.3000112.8D280 K284D280-D282 VanDerWaalsContact C-N 3.26Å; D280-D282 PolarHBondContact O-N 3.18Å; D280-D282 PolarHBondContact OD1-N 2.84Å; D282-K284 PolarHBondContact O-N 3.14Å
283D82.2Confident89.7Confident77 Ų7782 Ų8241%0.41243%0.43SS..  trans-63.4126.7176.9-174.65.7000110.9D280 N285 P286D280-D283 HydrophobicContact CB-CB 4.21Å; D283-N285 VanDerWaalsContact C-N 3.27Å; D283-N285 PolarHBondContact O-N 3.4Å; D283-N285 PolarHBondContact OD1-N 2.91Å; D283-P286 WeakPolarHBondContact O-CD 3.38Å
284K80.3Confident89.5Confident192 Ų19285 Ų8584%0.83544%0.444SS*.SBendtrans-71.5-21.3179.1-66.7-179.1-179.1174.70112.6D282D282-K284 PolarHBondContact O-N 3.14Å
285N85.1Confident89.4Confident145 Ų14586.6 Ų86.678%0.77546%0.463SS*.SBendtrans-131.863.1-179.2-73.3-37000111.6D283D283-N285 VanDerWaalsContact C-N 3.27Å; D283-N285 PolarHBondContact O-N 3.4Å; D283-N285 PolarHBondContact OD1-N 2.91Å
286P84.8Confident89.4Confident52 Ų5287.6 Ų87.634%0.33847%0.469SS..  trans-67.6142.4-168.829.9-36000111.7D283 K288 L291D283-P286 WeakPolarHBondContact O-CD 3.38Å; P286-K288 PolarHBondContact O-N 3.47Å; P286-L291 HydrophobicContact CB-CD1 3.61Å; P286-L291 HydrophobicContact CB-CG 4.14Å; P286-L291 HydrophobicContact CG-CD1 3.71Å
287C89.8Confident89.4Confident60 Ų6087.7 Ų87.741%0.40547%0.47SS..  trans-58.6106.3173.8167.20000110.8M289 C290 L291C287-M289 VanDerWaalsContact C-N 3.28Å; C287-M289 PolarHBondContact O-N 3.49Å; C287-C290 HydrophobicContact CB-CB 3.58Å; C287-C290 WeakPolarHBondContact CB-SG 3.41Å; C287-C290 WeakPolarHBondContact O-CB 3.43Å; C287-C290 PolarHBondContact O-N 3.35Å; C287-C290 WeakPolarHBondContact SG-CB 3.44Å; C287-C290 PolarHBondContact SG-N 2.93Å; C287-C290 CovalentContact SG-SG 2.06Å; C287-C290 PolarHBondContact SG-SG 2.97Å; C287-L291 PolarHBondContact O-N 2.89Å
288K91.7Very high89.4Confident184 Ų18488 Ų8880%0.848%0.475SS*.Hα-helixtrans-54.6-41-178.5-68.8-175.6179.8179.40113.3P286 A292P286-K288 PolarHBondContact O-N 3.47Å; K288-A292 WeakPolarHBondContact O-CB 3.32Å; K288-A292 PolarHBondContact O-N 3.35Å; K288-A292 VanDerWaalsContact O-N 3.09Å
289M93.2Very high89.6Confident163 Ų16391 Ų9180%0.80349%0.488SS*.Hα-helixtrans-67.8-40.7178.5-72.4-177.6157.500111.8C287 A292 R293C287-M289 VanDerWaalsContact C-N 3.28Å; C287-M289 PolarHBondContact O-N 3.49Å; M289-A292 PolarHBondContact O-N 2.91Å; M289-R293 VanDerWaalsContact O-CB 3.29Å; M289-R293 WeakPolarHBondContact O-CB 3.29Å; M289-R293 PolarHBondContact O-N 3.09Å
290C92.2Very high90.1Very high42 Ų4291.5 Ų91.528%0.28449%0.486SS..Hα-helixtrans-67-42.9-179.6-48.80000110.9C287 R293 H294C287-C290 HydrophobicContact CB-CB 3.58Å; C287-C290 WeakPolarHBondContact CB-SG 3.41Å; C287-C290 WeakPolarHBondContact O-CB 3.43Å; C287-C290 PolarHBondContact O-N 3.35Å; C287-C290 WeakPolarHBondContact SG-CB 3.44Å; C287-C290 PolarHBondContact SG-N 2.93Å; C287-C290 CovalentContact SG-SG 2.06Å; C287-C290 PolarHBondContact SG-SG 2.97Å; C290-R293 PolarHBondContact O-N 3.2Å; C290-H294 VanDerWaalsContact O-CB 3.3Å; C290-H294 WeakPolarHBondContact O-CB 3.48Å; C290-H294 PolarHBondContact O-N 3.2Å
291L92.3Very high90.8Very high76 Ų7687.9 Ų87.940%0.39847%0.466SS..Hα-helixtrans-61.7-46.2173.3-72.8178.9000112.3P279 P286 C287 R293 H294 G295P279-L291 HydrophobicContact CB-CD2 3.93Å; P279-L291 HydrophobicContact CG-CD2 3.87Å; P286-L291 HydrophobicContact CB-CD1 3.61Å; P286-L291 HydrophobicContact CB-CG 4.14Å; P286-L291 HydrophobicContact CG-CD1 3.71Å; C287-L291 PolarHBondContact O-N 2.89Å; L291-R293 VanDerWaalsContact C-N 3.31Å; L291-R293 PolarHBondContact O-N 3.15Å; L291-H294 PolarHBondContact O-N 3.01Å; L291-G295 PolarHBondContact O-N 3.21Å
292A93.9Very high91.6Very high61 Ų6184.3 Ų84.350%0.50445%0.451SS..Hα-helixtrans-61.9-41.7177.700000111.5K288 M289 G295 I296K288-A292 WeakPolarHBondContact O-CB 3.32Å; K288-A292 PolarHBondContact O-N 3.35Å; K288-A292 VanDerWaalsContact O-N 3.09Å; M289-A292 PolarHBondContact O-N 2.91Å; A292-G295 PolarHBondContact O-N 3.43Å; A292-I296 WeakPolarHBondContact O-CG1 3.28Å; A292-I296 PolarHBondContact O-N 3.41Å; A292-I296 VanDerWaalsContact O-N 3.15Å
293R95.6Very high92.3Very high86 Ų8681.4 Ų81.433%0.32543%0.433SS..Hα-helixtrans-67.7-44.2177.8-174.960.5169.7-174.1-7.1112E247 L277 M289 C290 L291 G295 I296 Q297E247-R293 IonicContact OE1-CZ 3.54Å; E247-R293 IonicContact OE1-NH1 2.88Å; E247-R293 IonicContact OE1-NH2 3.8Å; E247-R293 PolarHBondContact OE1-NH2 3.37Å; E247-R293 IonicContact OE2-CZ 3.93Å; E247-R293 IonicContact OE2-NH1 3.75Å; E247-R293 PolarHBondContact OE2-NH1 3.34Å; E247-R293 IonicContact OE2-NH2 3.97Å; L277-R293 HydrophobicContact CD1-CB 3.78Å; L277-R293 HydrophobicContact CD1-CG 3.59Å; M289-R293 VanDerWaalsContact O-CB 3.29Å; M289-R293 WeakPolarHBondContact O-CB 3.29Å; M289-R293 PolarHBondContact O-N 3.09Å; C290-R293 PolarHBondContact O-N 3.2Å; L291-R293 VanDerWaalsContact C-N 3.31Å; L291-R293 PolarHBondContact O-N 3.15Å; R293-G295 VanDerWaalsContact C-N 3.3Å; R293-G295 PolarHBondContact O-N 2.9Å; R293-I296 WeakPolarHBondContact O-CB 3.36Å; R293-I296 PolarHBondContact O-N 3.15Å; R293-I296 VanDerWaalsContact O-N 3.14Å; R293-Q297 WeakPolarHBondContact O-CG 3.47Å; R293-Q297 PolarHBondContact O-N 2.86Å
294H94.7Very high92.9Very high61 Ų6177.8 Ų77.828%0.28241%0.413SS..Hα-helixtrans-57-44.6172.4177.576.8000110.7L277 P279 C290 L291 I296 Q297 S298L277-H294 HydrophobicContact CB-CB 4.5Å; L277-H294 PolarHBondContact O-ND1 3.38Å; P279-H294 HydrophobicContact CG-CB 3.83Å; C290-H294 VanDerWaalsContact O-CB 3.3Å; C290-H294 WeakPolarHBondContact O-CB 3.48Å; C290-H294 PolarHBondContact O-N 3.2Å; L291-H294 PolarHBondContact O-N 3.01Å; H294-I296 VanDerWaalsContact C-N 3.29Å; H294-I296 PolarHBondContact O-N 2.96Å; H294-Q297 CarbonylContact O-C 3.57Å; H294-Q297 PolarHBondContact O-N 3.15Å; H294-Q297 VanDerWaalsContact O-N 3.07Å; H294-S298 PolarHBondContact CE1-OG 2.89Å; H294-S298 PolarHBondContact NE2-OG 3.44Å; H294-S298 WeakPolarHBondContact O-CB 3.46Å; H294-S298 PolarHBondContact O-N 2.98Å; H294-S298 PolarHBondContact O-OG 3.48Å
295G95Very high93.5Very high44 Ų4473.3 Ų73.345%0.45440%0.395SS..Hα-helixtrans-57.9-37.9175.400000114L291 A292 R293 K299L291-G295 PolarHBondContact O-N 3.21Å; A292-G295 PolarHBondContact O-N 3.43Å; R293-G295 VanDerWaalsContact C-N 3.3Å; R293-G295 PolarHBondContact O-N 2.9Å; G295-K299 PolarHBondContact O-N 3.36Å
296I95.7Very high93.9Very high80 Ų8072 Ų7241%0.4139%0.388SS..Hα-helixtrans-67.6-46.4172.8-65168.6000110.8A292 R293 H294 K299 Y300A292-I296 WeakPolarHBondContact O-CG1 3.28Å; A292-I296 PolarHBondContact O-N 3.41Å; A292-I296 VanDerWaalsContact O-N 3.15Å; R293-I296 WeakPolarHBondContact O-CB 3.36Å; R293-I296 PolarHBondContact O-N 3.15Å; R293-I296 VanDerWaalsContact O-N 3.14Å; H294-I296 VanDerWaalsContact C-N 3.29Å; H294-I296 PolarHBondContact O-N 2.96Å; I296-K299 PolarHBondContact O-N 3.38Å; I296-Y300 HydrophobicContact CG2-CD2 3.93Å; I296-Y300 HydrophobicContact CG2-CE2 3.61Å; I296-Y300 VanDerWaalsContact O-CD2 3.25Å; I296-Y300 WeakPolarHBondContact O-CD2 3.29Å; I296-Y300 PolarHBondContact O-N 3.41Å
297Q97.3Very high94.3Very high9 Ų973.9 Ų73.94%0.04240%0.395CS..Hα-helixtrans-61.3-44.9179.5-71.6-179-33.100111.4A246 Q275 L276 R293 H294 K299 Y300 L301A246-Q297 HydrophobicContact CB-CB 3.84Å; A246-Q297 HydrophobicContact CB-CG 3.98Å; Q275-Q297 PolarHBondContact O-NE2 2.64Å; L276-Q297 HydrophobicContact CD2-CB 4.41Å; R293-Q297 WeakPolarHBondContact O-CG 3.47Å; R293-Q297 PolarHBondContact O-N 2.86Å; H294-Q297 CarbonylContact O-C 3.57Å; H294-Q297 PolarHBondContact O-N 3.15Å; H294-Q297 VanDerWaalsContact O-N 3.07Å; Q297-K299 VanDerWaalsContact C-N 3.28Å; Q297-K299 PolarHBondContact O-N 3.15Å; Q297-Y300 PolarHBondContact O-N 2.81Å; Q297-Y300 VanDerWaalsContact O-N 3.1Å; Q297-L301 WeakPolarHBondContact O-CB 3.39Å; Q297-L301 PolarHBondContact O-N 3.28Å
298S95.5Very high94.5Very high47 Ų4771.7 Ų71.733%0.32938%0.378SS..Hα-helixtrans-60.5-36.3179.3-59.20000112.5H294 A302H294-S298 PolarHBondContact CE1-OG 2.89Å; H294-S298 PolarHBondContact NE2-OG 3.44Å; H294-S298 WeakPolarHBondContact O-CB 3.46Å; H294-S298 PolarHBondContact O-N 2.98Å; H294-S298 PolarHBondContact O-OG 3.48Å; S298-A302 PolarHBondContact O-N 3.42Å
299K96.3Very high94.5Very high130 Ų13069.6 Ų69.657%0.56537%0.371SS*.Hα-helixtrans-61.7-47.2173.1-179.6-174.8174.2-1750111.9G295 I296 Q297 Q303G295-K299 PolarHBondContact O-N 3.36Å; I296-K299 PolarHBondContact O-N 3.38Å; Q297-K299 VanDerWaalsContact C-N 3.28Å; Q297-K299 PolarHBondContact O-N 3.15Å; K299-Q303 PolarHBondContact O-N 2.91Å
300Y96.7Very high94.5Very high43 Ų4367 Ų6717%0.16936%0.36CS..Hα-helixtrans-74.6-31.4-180-68.8-61.8000112.4F248 L251 I296 Q297 Q303 I304F248-Y300 HydrophobicContact CB-CE1 3.78Å; F248-Y300 HydrophobicContact CB-CE2 4.44Å; F248-Y300 HydrophobicContact CD2-CE1 4.21Å; L251-Y300 HydrophobicContact CD2-CD1 4.43Å; I296-Y300 HydrophobicContact CG2-CD2 3.93Å; I296-Y300 HydrophobicContact CG2-CE2 3.61Å; I296-Y300 VanDerWaalsContact O-CD2 3.25Å; I296-Y300 WeakPolarHBondContact O-CD2 3.29Å; I296-Y300 PolarHBondContact O-N 3.41Å; Q297-Y300 PolarHBondContact O-N 2.81Å; Q297-Y300 VanDerWaalsContact O-N 3.1Å; Y300-Q303 WeakPolarHBondContact O-CB 3.34Å; Y300-Q303 PolarHBondContact O-N 3.26Å; Y300-I304 WeakPolarHBondContact O-CG1 3.45Å; Y300-I304 PolarHBondContact O-N 2.76Å
301L95.7Very high94.6Very high25 Ų2565.7 Ų65.713%0.13135%0.35CS..Hα-helixtrans-63.4-42.7175.1-178.161.2000111.3Q297 Q303 I304 Q305 L315Q297-L301 WeakPolarHBondContact O-CB 3.39Å; Q297-L301 PolarHBondContact O-N 3.28Å; L301-Q303 VanDerWaalsContact C-N 3.28Å; L301-Q303 PolarHBondContact O-N 3.01Å; L301-I304 PolarHBondContact O-N 2.83Å; L301-Q305 WeakPolarHBondContact O-CG 3.41Å; L301-Q305 PolarHBondContact O-N 3.1Å; L301-L315 HydrophobicContact CD1-CD2 3.47Å; L301-L315 VanDerWaalsContact CD1-CD2 3.47Å; L301-L315 HydrophobicContact CD2-CD1 4.08Å; L301-L315 HydrophobicContact CD2-CD2 4.36Å
302A95.2Very high94.8Very high56 Ų5662.8 Ų62.846%0.46333%0.334SS..Hα-helixtrans-59.7-39.3173.400000112.1S298 Q305 D306S298-A302 PolarHBondContact O-N 3.42Å; A302-Q305 PolarHBondContact O-N 3.49Å; A302-D306 WeakPolarHBondContact O-CB 3.4Å; A302-D306 PolarHBondContact O-N 2.94Å; A302-D306 VanDerWaalsContact O-N 3.08Å
303Q94.5Very high94.9Very high77 Ų7760.7 Ų60.736%0.3632%0.315SS..Hα-helixtrans-66.8-40174.8-67.6-179.5-11.300112.5L251 K299 Y300 L301 Q305 D306 L307L251-Q303 HydrophobicContact CD2-CB 4.22Å; K299-Q303 PolarHBondContact O-N 2.91Å; Y300-Q303 WeakPolarHBondContact O-CB 3.34Å; Y300-Q303 PolarHBondContact O-N 3.26Å; L301-Q303 VanDerWaalsContact C-N 3.28Å; L301-Q303 PolarHBondContact O-N 3.01Å; Q303-Q305 VanDerWaalsContact C-N 3.32Å; Q303-Q305 PolarHBondContact O-N 3.29Å; Q303-D306 PolarHBondContact O-N 3.49Å; Q303-L307 WeakPolarHBondContact O-CB 3.37Å; Q303-L307 VanDerWaalsContact O-CG 3.25Å; Q303-L307 WeakPolarHBondContact O-CG 3.42Å; Q303-L307 PolarHBondContact O-N 3.03Å
304I94.6Very high95Very high0 Ų056.6 Ų56.60%030%0.299CS..Hα-helixtrans-61.1-44.1175.5-70.3163.9000110.2L251 V273 Y300 L301 L307 Y308 I313L251-I304 HydrophobicContact CD1-CD1 4.18Å; L251-I304 HydrophobicContact CD1-CG1 3.44Å; L251-I304 VanDerWaalsContact CD1-CG1 3.44Å; L251-I304 HydrophobicContact CD2-CG1 4.17Å; L251-I304 HydrophobicContact CG-CG1 4.38Å; V273-I304 HydrophobicContact CG1-CD1 4.41Å; V273-I304 HydrophobicContact CG2-CD1 4.19Å; V273-I304 HydrophobicContact CG2-CG2 4.32Å; Y300-I304 WeakPolarHBondContact O-CG1 3.45Å; Y300-I304 PolarHBondContact O-N 2.76Å; L301-I304 PolarHBondContact O-N 2.83Å; I304-L307 PolarHBondContact O-N 3.07Å; I304-Y308 HydrophobicContact CG2-CD2 4.1Å; I304-Y308 WeakPolarHBondContact O-CB 3.26Å; I304-Y308 WeakPolarHBondContact O-CD2 3.3Å; I304-Y308 PolarHBondContact O-N 3.47Å; I304-I313 HydrophobicContact CG2-CD1 4.01Å; I304-I313 HydrophobicContact CG2-CG1 4.34Å; I304-I313 HydrophobicContact CG2-CG2 4.11Å
305Q93.5Very high95.1Very high98 Ų9855.8 Ų55.846%0.45830%0.297SS..Hα-helixtrans-64.9-38.3179.7-72.1174.4-23.800112.7L301 A302 Q303 E309 I313L301-Q305 WeakPolarHBondContact O-CG 3.41Å; L301-Q305 PolarHBondContact O-N 3.1Å; A302-Q305 PolarHBondContact O-N 3.49Å; Q303-Q305 VanDerWaalsContact C-N 3.32Å; Q303-Q305 PolarHBondContact O-N 3.29Å; Q305-E309 WeakPolarHBondContact O-CG 3.32Å; Q305-E309 PolarHBondContact O-N 3.42Å; Q305-I313 HydrophobicContact CB-CD1 4.46Å; Q305-I313 HydrophobicContact CG-CD1 4.11Å
306D93.6Very high95.2Very high117 Ų11753.7 Ų53.763%0.62628%0.275SS*.Hα-helixtrans-72.5-38.6177.4-170.954.6000112.5A302 Q303A302-D306 WeakPolarHBondContact O-CB 3.4Å; A302-D306 PolarHBondContact O-N 2.94Å; A302-D306 VanDerWaalsContact O-N 3.08Å; Q303-D306 PolarHBondContact O-N 3.49Å
307L92.8Very high95.3Very high92 Ų9250 Ų5048%0.48226%0.256SS..Hα-helixtrans-76.1-29.2-179.1-72.2172000113.7Q303 I304Q303-L307 WeakPolarHBondContact O-CB 3.37Å; Q303-L307 VanDerWaalsContact O-CG 3.25Å; Q303-L307 WeakPolarHBondContact O-CG 3.42Å; Q303-L307 PolarHBondContact O-N 3.03Å; I304-L307 PolarHBondContact O-N 3.07Å
308Y93.8Very high95.2Very high14 Ų1453.8 Ų53.86%0.05528%0.276CS..THydrogen-bonded Turntrans-126.545.3-170.8-55.4-72.7000111.8L251 E255 V258 I271 I304 D310 F311L251-Y308 HydrophobicContact CD1-CE2 4.11Å; E255-Y308 WeakPolarHBondContact CA-OH 3.45Å; E255-Y308 WeakPolarHBondContact CB-OH 3.5Å; V258-Y308 HydrophobicContact CG1-CE1 4.34Å; V258-Y308 HydrophobicContact CG2-CE1 4.31Å; I271-Y308 HydrophobicContact CD1-CD1 3.85Å; I271-Y308 HydrophobicContact CD1-CD2 3.68Å; I271-Y308 HydrophobicContact CD1-CE1 4.18Å; I271-Y308 HydrophobicContact CD1-CE2 4.03Å; I271-Y308 HydrophobicContact CD1-CG 3.59Å; I304-Y308 HydrophobicContact CG2-CD2 4.1Å; I304-Y308 WeakPolarHBondContact O-CB 3.26Å; I304-Y308 WeakPolarHBondContact O-CD2 3.3Å; I304-Y308 PolarHBondContact O-N 3.47Å; Y308-D310 PolarHBondContact O-N 3.43Å; Y308-F311 AromaticContact CD1-CD2 3.89Å; Y308-F311 HydrophobicContact CD1-CD2 3.89Å; Y308-F311 AromaticContact CD1-CE2 3.82Å; Y308-F311 HydrophobicContact CD1-CE2 3.82Å; Y308-F311 HydrophobicContact CD1-CG 4.36Å; Y308-F311 HydrophobicContact CD1-CZ 4.19Å; Y308-F311 HydrophobicContact CG-CD2 4.28Å; Y308-F311 WeakPolarHBondContact O-CB 3.29Å; Y308-F311 PolarHBondContact O-N 2.85Å
309E91.9Very high95.2Very high141 Ų14153.7 Ų53.766%0.65927%0.272SS*.THydrogen-bonded Turntrans-56.2-32.2178.6-65.9-173.4160.300112.9M1 Q305 F311M1-E309 PolarHBondContact N-O 3.47Å; Q305-E309 WeakPolarHBondContact O-CG 3.32Å; Q305-E309 PolarHBondContact O-N 3.42Å; E309-F311 VanDerWaalsContact C-N 3.28Å; E309-F311 PolarHBondContact O-N 2.87Å
310D93.2Very high94.9Very high107 Ų10755 Ų5557%0.57229%0.285SS*.THydrogen-bonded Turntrans-83.44.8178.262.6-35.9000114Y308Y308-D310 PolarHBondContact O-N 3.43Å
311F95.7Very high94.8Very high15 Ų1557 Ų577%0.06630%0.296CS..SBendtrans-105.8157.7175.8-70.7-117.5000111.9M1 V258 T268 Q269 I271 Y308 E309 I313M1-F311 WeakPolarHBondContact CB-O 3.35Å; M1-F311 PolarHBondContact N-O 3.01Å; V258-F311 HydrophobicContact CG1-CZ 4.06Å; T268-F311 HydrophobicContact CG2-CE1 4.09Å; T268-F311 HydrophobicContact CG2-CZ 4.28Å; T268-F311 WeakPolarHBondContact O-CE1 3.38Å; T268-F311 VanDerWaalsContact O-CZ 3.32Å; T268-F311 WeakPolarHBondContact O-CZ 3.44Å; Q269-F311 WeakPolarHBondContact O-CA 3.48Å; I271-F311 HydrophobicContact CD1-CD1 3.85Å; I271-F311 HydrophobicContact CD1-CE1 4.31Å; I271-F311 HydrophobicContact CD1-CG 4.24Å; I271-F311 HydrophobicContact CG1-CB 4.5Å; I271-F311 HydrophobicContact CG1-CD1 3.7Å; I271-F311 HydrophobicContact CG1-CE1 4.33Å; I271-F311 HydrophobicContact CG1-CG 4.37Å; Y308-F311 AromaticContact CD1-CD2 3.89Å; Y308-F311 HydrophobicContact CD1-CD2 3.89Å; Y308-F311 AromaticContact CD1-CE2 3.82Å; Y308-F311 HydrophobicContact CD1-CE2 3.82Å; Y308-F311 HydrophobicContact CD1-CG 4.36Å; Y308-F311 HydrophobicContact CD1-CZ 4.19Å; Y308-F311 HydrophobicContact CG-CD2 4.28Å; Y308-F311 WeakPolarHBondContact O-CB 3.29Å; Y308-F311 PolarHBondContact O-N 2.85Å; E309-F311 VanDerWaalsContact C-N 3.28Å; E309-F311 PolarHBondContact O-N 2.87Å; F311-I313 HydrophobicContact CB-CG1 4.41Å; F311-I313 PolarHBondContact O-N 2.99Å
312H96.1Very high94.8Very high16 Ų1662.1 Ų62.17%0.07432%0.319CS..EExtended strand (participates in β ladder)trans-81.2105.5160.5-66.1-80.6000108.8M1 D2 S7 Q269 N270 I271M1-H312 WeakPolarHBondContact CB-ND1 3.48Å; M1-H312 VanDerWaalsContact SD-CD2 3.52Å; M1-H312 PolarHBondContact SD-NE2 3.1Å; M1-H312 VanDerWaalsContact SD-NE2 3.43Å; D2-H312 PolarHBondContact O-ND1 3.43Å; S7-H312 PolarHBondContact OG-CE1 3.15Å; S7-H312 PolarHBondContact OG-NE2 2.88Å; Q269-H312 PolarHBondContact O-N 3.31Å; N270-H312 WeakPolarHBondContact OD1-CB 3.46Å; I271-H312 PolarHBondContact N-O 2.87Å
313I96.3Very high94.8Very high17 Ų1760.4 Ų60.49%0.08730%0.303CS..EExtended strand (participates in β ladder)trans-99.1110.1178.1-58.6162.4000108.2P3 I271 V273 I304 Q305 F311 L315P3-I313 VanDerWaalsContact CA-O 3.27Å; P3-I313 WeakPolarHBondContact CA-O 3.3Å; P3-I313 WeakPolarHBondContact CB-O 3.1Å; I271-I313 WeakPolarHBondContact O-CA 3.24Å; V273-I313 HydrophobicContact CG2-CG2 3.87Å; I304-I313 HydrophobicContact CG2-CD1 4.01Å; I304-I313 HydrophobicContact CG2-CG1 4.34Å; I304-I313 HydrophobicContact CG2-CG2 4.11Å; Q305-I313 HydrophobicContact CB-CD1 4.46Å; Q305-I313 HydrophobicContact CG-CD1 4.11Å; F311-I313 HydrophobicContact CB-CG1 4.41Å; F311-I313 PolarHBondContact O-N 2.99Å; I313-L315 HydrophobicContact CG2-CD2 3.9Å
314V96.9Very high94.8Very high0 Ų062 Ų620%031%0.305CS..EExtended strand (participates in β ladder)trans-101.7129.8179.5-172.40000109.6L5 I271 L272 V273 L316L5-V314 HydrophobicContact CD2-CG2 3.81Å; L5-V314 HydrophobicContact CG-CG2 3.99Å; I271-V314 PolarHBondContact O-N 3.14Å; L272-V314 HydrophobicContact CD2-CB 3.49Å; L272-V314 VanDerWaalsContact CD2-CB 3.49Å; L272-V314 HydrophobicContact CD2-CG1 4.11Å; L272-V314 HydrophobicContact CD2-CG2 3.73Å; V273-V314 PolarHBondContact N-O 2.85Å; V314-L316 HydrophobicContact CG1-CD2 4.18Å; V314-L316 HydrophobicContact CG1-CG 4.48Å
315L96.8Very high94.8Very high44 Ų4462.5 Ų62.523%0.2331%0.311CS..EExtended strand (participates in β ladder)trans-100.3117-176.6-52.8-172.9000109.4V273 L276 L301 I313V273-L315 HydrophobicContact CB-CD2 4.16Å; V273-L315 HydrophobicContact CG2-CD2 4.28Å; L276-L315 HydrophobicContact CD1-CB 3.61Å; L276-L315 HydrophobicContact CD1-CD2 3.87Å; L276-L315 HydrophobicContact CD1-CG 4.19Å; L301-L315 HydrophobicContact CD1-CD2 3.47Å; L301-L315 VanDerWaalsContact CD1-CD2 3.47Å; L301-L315 HydrophobicContact CD2-CD1 4.08Å; L301-L315 HydrophobicContact CD2-CD2 4.36Å; I313-L315 HydrophobicContact CG2-CD2 3.9Å
316L97.5Very high95Very high0 Ų058.7 Ų58.70%029%0.294CS..EExtended strand (participates in β ladder)trans-111.7129.3-178-60.8174000110.9L272 V273 Q275 L276 V314 F332 L336L272-L316 HydrophobicContact CB-CD1 4.26Å; L272-L316 HydrophobicContact CD1-CD1 4.46Å; V273-L316 PolarHBondContact O-N 3.24Å; Q275-L316 PolarHBondContact N-O 3.06Å; L276-L316 WeakPolarHBondContact CB-O 3.41Å; L276-L316 PolarHBondContact N-O 2.7Å; L276-L316 VanDerWaalsContact N-O 3.1Å; V314-L316 HydrophobicContact CG1-CD2 4.18Å; V314-L316 HydrophobicContact CG1-CG 4.48Å; L316-F332 HydrophobicContact CB-CZ 4.05Å; L316-F332 HydrophobicContact CD1-CE1 4.14Å; L316-F332 HydrophobicContact CD1-CZ 4.06Å; L316-F332 HydrophobicContact CD2-CZ 4.45Å; L316-F332 HydrophobicContact CG-CZ 4.43Å; L316-L336 HydrophobicContact CD1-CD2 3.98Å; L316-L336 HydrophobicContact CD2-CD2 4.01Å
317P96.7Very high95.1Very high2 Ų258.3 Ų58.31%0.01329%0.289CS..EExtended strand (participates in β ladder)trans-71.1150.3-178.230.6-35.9000111.9L276 F278 L319 Y335 Y340L276-P317 CarbonylContact O-C 3.58Å; L276-P317 WeakPolarHBondContact O-CA 3.42Å; F278-P317 HydrophobicContact CD2-CB 4.02Å; F278-P317 HydrophobicContact CE2-CB 4.01Å; P317-L319 HydrophobicContact CG-CD2 4.2Å; P317-L319 PolarHBondContact O-N 3.07Å; P317-Y335 HydrophobicContact CG-CD2 4.06Å; P317-Y335 HydrophobicContact CG-CE2 4.05Å; P317-Y340 HydrophobicContact CB-CD1 3.75Å; P317-Y340 HydrophobicContact CB-CD2 4.43Å; P317-Y340 HydrophobicContact CB-CE1 3.67Å; P317-Y340 HydrophobicContact CB-CE2 4.38Å; P317-Y340 HydrophobicContact CB-CG 4.12Å; P317-Y340 HydrophobicContact CG-CD1 3.92Å; P317-Y340 HydrophobicContact CG-CD2 3.84Å; P317-Y340 HydrophobicContact CG-CE1 4.14Å; P317-Y340 HydrophobicContact CG-CE2 4.08Å; P317-Y340 HydrophobicContact CG-CG 3.74Å
318L96.3Very high95.2Very high88 Ų8856.3 Ų56.346%0.46128%0.277SS..PPolyproline II helixtrans-72.3120.6159.4-176.766.1000108.7Q275 L276 L277Q275-L318 HydrophobicContact CB-CB 4.46Å; Q275-L318 HydrophobicContact CB-CD1 4.04Å; Q275-L318 HydrophobicContact CG-CD1 4.03Å; L276-L318 PolarHBondContact O-N 3.22Å; L277-L318 HydrophobicContact CD2-CB 4.28Å; L277-L318 HydrophobicContact CD2-CD2 3.71Å; L277-L318 HydrophobicContact CG-CD2 4.45Å
319L94.8Very high95.4Very high46 Ų4655.7 Ų55.724%0.24127%0.274CS..PPolyproline II helixtrans-85.1155.7171.8-59.7-174.1000111.1P317 H321 V323 F332P317-L319 HydrophobicContact CG-CD2 4.2Å; P317-L319 PolarHBondContact O-N 3.07Å; L319-H321 PolarHBondContact O-N 3.49Å; L319-V323 HydrophobicContact CD1-CG2 3.73Å; L319-F332 HydrophobicContact CD1-CD2 3.68Å; L319-F332 HydrophobicContact CD1-CE2 4.3Å; L319-F332 HydrophobicContact CG-CD2 4.2Å; L319-F332 HydrophobicContact CG-CE2 4.37Å
320D91.3Very high95.6Very high156 Ų15651.8 Ų51.883%0.83426%0.255SS*.SBendtrans-80.3-0.3178.464.8-15.4000113.7
321H94.5Very high95.8Very high87 Ų8751.8 Ų51.840%0.40325%0.25SS..SBendtrans-140.3162.1177.159.4-79.5000110.4L319 E328L319-H321 PolarHBondContact O-N 3.49Å; H321-E328 IonicContact NE2-OE2 3.66Å; H321-E328 PolarHBondContact NE2-OE2 3.37Å
322E94.1Very high95.8Very high131 Ų13151.4 Ų51.461%0.61225%0.249SC*.  trans-73.8135.9174.2-64-175169.500110.9R324E322-R324 HydrophobicContact CB-CG 4.22Å; E322-R324 PolarHBondContact O-N 2.96Å; E322-R324 IonicContact OE2-CZ 3.96Å; E322-R324 IonicContact OE2-NE 3.38Å; E322-R324 PolarHBondContact OE2-NE 3.15Å; E322-R324 IonicContact OE2-NH2 3.55Å; E322-R324 PolarHBondContact OE2-NH2 3.35Å
323V95.4Very high95.9Very high20 Ų2050.7 Ų50.712%0.12125%0.246CC..  trans-76.592.6174.7-176.10000108.9T29 L319 E328 I329 F332T29-V323 HydrophobicContact CG2-CB 3.74Å; T29-V323 HydrophobicContact CG2-CG1 3.84Å; T29-V323 HydrophobicContact CG2-CG2 4.11Å; L319-V323 HydrophobicContact CD1-CG2 3.73Å; V323-E328 HydrophobicContact CG1-CB 4.15Å; V323-I329 HydrophobicContact CG1-CG1 4.03Å; V323-F332 HydrophobicContact CG1-CB 3.94Å; V323-F332 HydrophobicContact CG1-CG 4.4Å; V323-F332 HydrophobicContact CG2-CB 4.18Å; V323-F332 HydrophobicContact CG2-CD2 4.02Å; V323-F332 HydrophobicContact CG2-CG 4.04Å
324R95Very high95.9Very high110 Ų11055.1 Ų55.142%0.41527%0.266SS..  trans-129.5143.7176.7-63.2-166.5-168.7-144.40.6112.3E322 E328E322-R324 HydrophobicContact CB-CG 4.22Å; E322-R324 PolarHBondContact O-N 2.96Å; E322-R324 IonicContact OE2-CZ 3.96Å; E322-R324 IonicContact OE2-NE 3.38Å; E322-R324 PolarHBondContact OE2-NE 3.15Å; E322-R324 IonicContact OE2-NH2 3.55Å; E322-R324 PolarHBondContact OE2-NH2 3.35Å; R324-E328 WeakPolarHBondContact O-CB 3.42Å; R324-E328 WeakPolarHBondContact O-CG 3.17Å
325G95.3Very high95.9Very high12 Ų1258.3 Ų58.312%0.12428%0.278CS..SBendtrans84.8153.7-176.700000112.6A59 E327 E328 I329A59-G325 PolarHBondContact O-N 3.39Å; G325-E327 VanDerWaalsContact C-N 3.27Å; G325-E327 PolarHBondContact O-N 3.09Å; G325-E328 PolarHBondContact O-N 2.96Å; G325-I329 PolarHBondContact O-N 2.75Å; G325-I329 VanDerWaalsContact O-N 3.07Å
326T96.1Very high95.8Very high17 Ų1756.2 Ų56.210%0.10427%0.267CS..Hα-helixtrans-53.9-39.8-175.4-65.60000113.8E72 F74 I329 K330E72-T326 WeakPolarHBondContact O-CB 3.33Å; E72-T326 WeakPolarHBondContact O-CG2 3.45Å; E72-T326 PolarHBondContact O-OG1 3.23Å; F74-T326 HydrophobicContact CD2-CG2 3.91Å; F74-T326 HydrophobicContact CE2-CG2 3.37Å; F74-T326 HydrophobicContact CZ-CG2 4.04Å; T326-I329 PolarHBondContact O-N 2.73Å; T326-K330 HydrophobicContact CG2-CD 4.09Å; T326-K330 VanDerWaalsContact CG2-CE 3.45Å; T326-K330 HydrophobicContact CG2-CG 4.48Å; T326-K330 WeakPolarHBondContact O-CB 3.5Å; T326-K330 VanDerWaalsContact O-CG 3.28Å; T326-K330 WeakPolarHBondContact O-CG 3.03Å; T326-K330 PolarHBondContact O-N 3.02Å
327E96.3Very high95.6Very high110 Ų11057.1 Ų57.151%0.51427%0.274SS..Hα-helixtrans-70.6-39-177.5-64.9-55.611700112.8G325 K330 K331G325-E327 VanDerWaalsContact C-N 3.27Å; G325-E327 PolarHBondContact O-N 3.09Å; E327-K330 PolarHBondContact O-N 2.78Å; E327-K330 IonicContact OE1-NZ 3.73Å; E327-K330 PolarHBondContact OE1-NZ 3.42Å; E327-K331 WeakPolarHBondContact O-CG 3.49Å; E327-K331 PolarHBondContact O-N 3.39Å
328E96.3Very high95.5Very high50 Ų5061.3 Ų61.323%0.23430%0.3CS..Hα-helixtrans-70.8-37.5175.7-63.4-50.5132.600111.6H321 V323 R324 G325 K330 K331 F332H321-E328 IonicContact NE2-OE2 3.66Å; H321-E328 PolarHBondContact NE2-OE2 3.37Å; V323-E328 HydrophobicContact CG1-CB 4.15Å; R324-E328 WeakPolarHBondContact O-CB 3.42Å; R324-E328 WeakPolarHBondContact O-CG 3.17Å; G325-E328 PolarHBondContact O-N 2.96Å; E328-K330 VanDerWaalsContact C-N 3.32Å; E328-K330 PolarHBondContact O-N 3.06Å; E328-K331 PolarHBondContact O-N 3.17Å; E328-K331 IonicContact OE1-NZ 2.72Å; E328-K331 PolarHBondContact OE1-NZ 2.06Å; E328-K331 IonicContact OE2-NZ 3.47Å; E328-F332 WeakPolarHBondContact O-CB 3.49Å; E328-F332 PolarHBondContact O-N 3.26Å
329I97.1Very high95.4Very high0 Ų059.9 Ų59.90%030%0.296CS..Hα-helixtrans-59.9-44.5172.3-70.2169.7000110.6C32 S33 A36 A59 F60 V323 G325 T326 S333C32-I329 HydrophobicContact CB-CD1 4.03Å; C32-I329 HydrophobicContact CB-CG2 4.13Å; S33-I329 PolarHBondContact OG-O 3.5Å; A36-I329 HydrophobicContact CB-CG2 4.05Å; A59-I329 HydrophobicContact CB-CD1 4.12Å; A59-I329 VanDerWaalsContact O-CD1 3.25Å; A59-I329 WeakPolarHBondContact O-CD1 3.43Å; F60-I329 HydrophobicContact CD1-CD1 3.42Å; F60-I329 VanDerWaalsContact CD1-CD1 3.42Å; F60-I329 HydrophobicContact CD2-CD1 4.42Å; F60-I329 HydrophobicContact CE1-CD1 3.43Å; F60-I329 VanDerWaalsContact CE1-CD1 3.43Å; F60-I329 HydrophobicContact CE1-CG2 4.16Å; F60-I329 HydrophobicContact CE2-CD1 4.44Å; F60-I329 HydrophobicContact CG-CD1 3.95Å; F60-I329 HydrophobicContact CZ-CD1 3.97Å; V323-I329 HydrophobicContact CG1-CG1 4.03Å; G325-I329 PolarHBondContact O-N 2.75Å; G325-I329 VanDerWaalsContact O-N 3.07Å; T326-I329 PolarHBondContact O-N 2.73Å; I329-S333 WeakPolarHBondContact O-CB 3.28Å; I329-S333 PolarHBondContact O-N 3.25Å; I329-S333 PolarHBondContact O-OG 3.41Å
330K96.7Very high95.1Very high59 Ų5960.8 Ų60.826%0.25730%0.296SS..Hα-helixtrans-60.6-44.7176.7-77171.1-176.4168.30111.5G73 F74 T326 E327 E328 S333G73-K330 PolarHBondContact O-NZ 3.38Å; F74-K330 HydrophobicContact CE1-CG 4.26Å; F74-K330 HydrophobicContact CZ-CD 4.31Å; F74-K330 HydrophobicContact CZ-CG 3.8Å; T326-K330 HydrophobicContact CG2-CD 4.09Å; T326-K330 VanDerWaalsContact CG2-CE 3.45Å; T326-K330 HydrophobicContact CG2-CG 4.48Å; T326-K330 WeakPolarHBondContact O-CB 3.5Å; T326-K330 VanDerWaalsContact O-CG 3.28Å; T326-K330 WeakPolarHBondContact O-CG 3.03Å; T326-K330 PolarHBondContact O-N 3.02Å; E327-K330 PolarHBondContact O-N 2.78Å; E327-K330 IonicContact OE1-NZ 3.73Å; E327-K330 PolarHBondContact OE1-NZ 3.42Å; E328-K330 VanDerWaalsContact C-N 3.32Å; E328-K330 PolarHBondContact O-N 3.06Å; K330-S333 PolarHBondContact O-N 3.44Å; K330-S333 PolarHBondContact O-OG 2.78Å
331K96.2Very high94.8Very high107 Ų10761.5 Ų61.547%0.46530%0.295SS..Hα-helixtrans-62.7-54.7176.9-71.6172.7-171.5167.90111.5E327 E328 S333 Q334E327-K331 WeakPolarHBondContact O-CG 3.49Å; E327-K331 PolarHBondContact O-N 3.39Å; E328-K331 PolarHBondContact O-N 3.17Å; E328-K331 IonicContact OE1-NZ 2.72Å; E328-K331 PolarHBondContact OE1-NZ 2.06Å; E328-K331 IonicContact OE2-NZ 3.47Å; K331-S333 PolarHBondContact O-N 3.07Å; K331-Q334 WeakPolarHBondContact O-CB 3.38Å; K331-Q334 WeakPolarHBondContact O-CG 3.1Å; K331-Q334 PolarHBondContact O-N 3.01Å
332F96.9Very high94.1Very high7 Ų763.8 Ų63.83%0.03132%0.317CS..Hα-helixtrans-58.9-35.6179.8-173.3-101.8000111.9T29 S33 L316 L319 V323 E328 Q334 Y335T29-F332 HydrophobicContact CG2-CD1 3.87Å; T29-F332 HydrophobicContact CG2-CE1 3.92Å; S33-F332 WeakPolarHBondContact OG-CD1 3.25Å; L316-F332 HydrophobicContact CB-CZ 4.05Å; L316-F332 HydrophobicContact CD1-CE1 4.14Å; L316-F332 HydrophobicContact CD1-CZ 4.06Å; L316-F332 HydrophobicContact CD2-CZ 4.45Å; L316-F332 HydrophobicContact CG-CZ 4.43Å; L319-F332 HydrophobicContact CD1-CD2 3.68Å; L319-F332 HydrophobicContact CD1-CE2 4.3Å; L319-F332 HydrophobicContact CG-CD2 4.2Å; L319-F332 HydrophobicContact CG-CE2 4.37Å; V323-F332 HydrophobicContact CG1-CB 3.94Å; V323-F332 HydrophobicContact CG1-CG 4.4Å; V323-F332 HydrophobicContact CG2-CB 4.18Å; V323-F332 HydrophobicContact CG2-CD2 4.02Å; V323-F332 HydrophobicContact CG2-CG 4.04Å; E328-F332 WeakPolarHBondContact O-CB 3.49Å; E328-F332 PolarHBondContact O-N 3.26Å; F332-Q334 PolarHBondContact O-N 2.91Å; F332-Q334 VanDerWaalsContact O-N 3.14Å; F332-Y335 AromaticContact CD2-CD2 4Å; F332-Y335 HydrophobicContact CD2-CD2 4Å; F332-Y335 HydrophobicContact CD2-CE2 4.36Å; F332-Y335 HydrophobicContact CE2-CD2 4.41Å; F332-Y335 WeakPolarHBondContact O-CD2 3.48Å; F332-Y335 PolarHBondContact O-N 3.41Å; F332-Y335 VanDerWaalsContact O-N 3.15Å
333S96.8Very high94.1Very high2 Ų260.5 Ų60.51%0.01430%0.303CS..Hα-helixtrans-62.8-21179.180.70000114.4S33 Q37 I329 K330 K331 Y335 L336S33-S333 VanDerWaalsContact O-CB 3.26Å; S33-S333 WeakPolarHBondContact O-CB 3.27Å; Q37-S333 WeakPolarHBondContact CG-O 3.49Å; Q37-S333 PolarHBondContact NE2-O 3.49Å; Q37-S333 PolarHBondContact NE2-OG 3.2Å; I329-S333 WeakPolarHBondContact O-CB 3.28Å; I329-S333 PolarHBondContact O-N 3.25Å; I329-S333 PolarHBondContact O-OG 3.41Å; K330-S333 PolarHBondContact O-N 3.44Å; K330-S333 PolarHBondContact O-OG 2.78Å; K331-S333 PolarHBondContact O-N 3.07Å; S333-Y335 PolarHBondContact O-N 3.22Å; S333-L336 WeakPolarHBondContact O-CB 3.42Å; S333-L336 PolarHBondContact O-N 3.47Å; S333-L336 VanDerWaalsContact O-N 3.15Å
334Q96.6Very high94Very high110 Ų11062.6 Ų62.651%0.51431%0.312SS..Hα-helixtrans-63.2-30.9177.8-63.2179.83.500111.4K331 F332 L336 S337 T338K331-Q334 WeakPolarHBondContact O-CB 3.38Å; K331-Q334 WeakPolarHBondContact O-CG 3.1Å; K331-Q334 PolarHBondContact O-N 3.01Å; F332-Q334 PolarHBondContact O-N 2.91Å; F332-Q334 VanDerWaalsContact O-N 3.14Å; Q334-L336 PolarHBondContact O-N 2.85Å; Q334-S337 PolarHBondContact O-N 2.72Å; Q334-S337 VanDerWaalsContact O-N 3.09Å; Q334-S337 PolarHBondContact O-OG 2.95Å; Q334-T338 PolarHBondContact O-N 2.98Å
335Y96.5Very high94Very high66 Ų6659.9 Ų59.926%0.25931%0.306SS..Hα-helixtrans-68.5-12.7177.8-54.8-45.9000113.8P317 F332 S333 T338 Y340P317-Y335 HydrophobicContact CG-CD2 4.06Å; P317-Y335 HydrophobicContact CG-CE2 4.05Å; F332-Y335 AromaticContact CD2-CD2 4Å; F332-Y335 HydrophobicContact CD2-CD2 4Å; F332-Y335 HydrophobicContact CD2-CE2 4.36Å; F332-Y335 HydrophobicContact CE2-CD2 4.41Å; F332-Y335 WeakPolarHBondContact O-CD2 3.48Å; F332-Y335 PolarHBondContact O-N 3.41Å; F332-Y335 VanDerWaalsContact O-N 3.15Å; S333-Y335 PolarHBondContact O-N 3.22Å; Y335-T338 CarbonylContact C-O 3.52Å; Y335-T338 VanDerWaalsContact CA-O 3.28Å; Y335-T338 WeakPolarHBondContact CA-O 3.48Å; Y335-Y340 AromaticContact CD1-CD2 3.9Å; Y335-Y340 HydrophobicContact CD1-CD2 3.9Å; Y335-Y340 HydrophobicContact CD1-CG 4.41Å; Y335-Y340 AromaticContact CE1-CD2 3.47Å; Y335-Y340 HydrophobicContact CE1-CD2 3.47Å; Y335-Y340 VanDerWaalsContact CE1-CD2 3.47Å; Y335-Y340 HydrophobicContact CE1-CE2 4.23Å; Y335-Y340 HydrophobicContact CE1-CG 4.4Å; Y335-Y340 HydrophobicContact CE2-CD2 4.45Å; Y335-Y340 AromaticContact CZ-CD2 3.76Å
336L96.3Very high93.9Very high0 Ų062.8 Ų62.80%032%0.317CS..Hα-helixtrans-77.7-31.6171.9-60.5176.5000112.3L5 L34 L272 L316 S333 Q334L5-L336 HydrophobicContact CD1-CB 4.39Å; L5-L336 HydrophobicContact CD1-CD1 4.47Å; L5-L336 HydrophobicContact CD1-CD2 4.1Å; L5-L336 PolarHBondContact N-O 3.19Å; L34-L336 HydrophobicContact CB-CD1 4.18Å; L272-L336 HydrophobicContact CD1-CD2 3.91Å; L272-L336 HydrophobicContact CD2-CD2 3.82Å; L316-L336 HydrophobicContact CD1-CD2 3.98Å; L316-L336 HydrophobicContact CD2-CD2 4.01Å; S333-L336 WeakPolarHBondContact O-CB 3.42Å; S333-L336 PolarHBondContact O-N 3.47Å; S333-L336 VanDerWaalsContact O-N 3.15Å; Q334-L336 PolarHBondContact O-N 2.85Å
337S93.5Very high93.8Very high20 Ų2065.6 Ų65.614%0.1433%0.33CS..Hα-helixtrans-98.3-29.6-178.353.30000113.1T4 N6 Q334T4-S337 WeakPolarHBondContact CG2-O 3.32Å; N6-S337 PolarHBondContact ND2-O 3.39Å; N6-S337 VanDerWaalsContact OD1-CA 3.28Å; N6-S337 WeakPolarHBondContact OD1-CA 3.49Å; N6-S337 WeakPolarHBondContact OD1-CB 3.42Å; N6-S337 PolarHBondContact OD1-O 3.37Å; Q334-S337 PolarHBondContact O-N 2.72Å; Q334-S337 VanDerWaalsContact O-N 3.09Å; Q334-S337 PolarHBondContact O-OG 2.95Å
338T94.4Very high93.6Very high90 Ų9062.7 Ų62.755%0.55232%0.318SS*.SBendtrans-126.2120.3-177.6-54.60000108.3Q334 Y335 Y340Q334-T338 PolarHBondContact O-N 2.98Å; Y335-T338 CarbonylContact C-O 3.52Å; Y335-T338 VanDerWaalsContact CA-O 3.28Å; Y335-T338 WeakPolarHBondContact CA-O 3.48Å; T338-Y340 PolarHBondContact O-N 2.95Å
339P92.7Very high93.4Very high58 Ų5863.6 Ų63.638%0.37732%0.324SS..  trans-54.4137.4179.9-26.536.4000111.5P3 T4 E341P3-P339 HydrophobicContact CG-CG 4.07Å; T4-P339 HydrophobicContact CG2-CG 3.77Å; P339-E341 PolarHBondContact O-N 3.33Å
340Y90.2Very high93.1Very high65 Ų6568.5 Ų68.526%0.25535%0.349SS..  trans-68127.6174.9176.3-107.9000110.2F278 P317 Y335 T338 P342F278-Y340 HydrophobicContact CB-CE1 4.24Å; F278-Y340 AromaticContact CD2-CD1 3.68Å; F278-Y340 HydrophobicContact CD2-CD1 3.68Å; F278-Y340 AromaticContact CD2-CE1 3.46Å; F278-Y340 HydrophobicContact CD2-CE1 3.46Å; F278-Y340 VanDerWaalsContact CD2-CE1 3.46Å; F278-Y340 AromaticContact CE2-CD1 3.62Å; F278-Y340 HydrophobicContact CE2-CD1 3.62Å; F278-Y340 AromaticContact CE2-CE1 3.93Å; F278-Y340 HydrophobicContact CE2-CE1 3.93Å; F278-Y340 HydrophobicContact CG-CD1 4.27Å; F278-Y340 AromaticContact CG-CE1 3.91Å; F278-Y340 HydrophobicContact CG-CE1 3.91Å; F278-Y340 HydrophobicContact CZ-CD1 4.19Å; P317-Y340 HydrophobicContact CB-CD1 3.75Å; P317-Y340 HydrophobicContact CB-CD2 4.43Å; P317-Y340 HydrophobicContact CB-CE1 3.67Å; P317-Y340 HydrophobicContact CB-CE2 4.38Å; P317-Y340 HydrophobicContact CB-CG 4.12Å; P317-Y340 HydrophobicContact CG-CD1 3.92Å; P317-Y340 HydrophobicContact CG-CD2 3.84Å; P317-Y340 HydrophobicContact CG-CE1 4.14Å; P317-Y340 HydrophobicContact CG-CE2 4.08Å; P317-Y340 HydrophobicContact CG-CG 3.74Å; Y335-Y340 AromaticContact CD1-CD2 3.9Å; Y335-Y340 HydrophobicContact CD1-CD2 3.9Å; Y335-Y340 HydrophobicContact CD1-CG 4.41Å; Y335-Y340 AromaticContact CE1-CD2 3.47Å; Y335-Y340 HydrophobicContact CE1-CD2 3.47Å; Y335-Y340 VanDerWaalsContact CE1-CD2 3.47Å; Y335-Y340 HydrophobicContact CE1-CE2 4.23Å; Y335-Y340 HydrophobicContact CE1-CG 4.4Å; Y335-Y340 HydrophobicContact CE2-CD2 4.45Å; Y335-Y340 AromaticContact CZ-CD2 3.76Å; T338-Y340 PolarHBondContact O-N 2.95Å; Y340-P342 HydrophobicContact CE1-CB 3.81Å
341E84.4Confident92.8Very high171 Ų17169.3 Ų69.380%0.79936%0.357SS*.  trans-112.8116.2171.1-67.2-177.1177.800107.5P339P339-E341 PolarHBondContact O-N 3.33Å
342P79.5Confident92.5Very high135 Ų13565.8 Ų65.888%0.87735%0.347SS*.  trans-690-176.427.4-34.1000114.6F278 Y340F278-P342 HydrophobicContact CB-CB 3.62Å; F278-P342 HydrophobicContact CB-CG 4.06Å; F278-P342 HydrophobicContact CD1-CG 4.15Å; F278-P342 HydrophobicContact CG-CB 4.19Å; F278-P342 HydrophobicContact CG-CG 4.31Å; Y340-P342 HydrophobicContact CE1-CB 3.81Å

Retrieved 342 of 342 residues in 378.6 ms (Link to these results)