A0A087X924_POEFO Loading...

Glutamate receptor

Receptor for glutamate that functions as a ligand-gated ion channel in the central nervous system and plays an important role in excitatory synaptic transmission. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system.

AlphaFold DB , UniProt , Accession A0A087X924, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 782 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
1M38.5Very low78.6Confident225 Ų22553.1 Ų53.1100%1.10827%0.272SS*.  0115.40-156.6179.9-82.400105.9S3M1-S3 PolarHBondContact O-N 3.12Å
2R55.7Low79.7Confident88 Ų8854.3 Ų54.333%0.33227%0.271SS..  trans-72.1117.8-173.5-177.6171.7168.1173.3-2.9109.5T4 E181R2-T4 PolarHBondContact O-N 3.17Å; R2-E181 IonicContact CZ-OE1 3.51Å; R2-E181 IonicContact NE-OE1 2.89Å; R2-E181 IonicContact NH1-OE1 3.11Å; R2-E181 PolarHBondContact NH1-OE1 2.93Å
3S64.3Low80.5Confident54 Ų5451.5 Ų51.538%0.37826%0.256SS..  trans-76.7111.8176.3-1800000109.6M1 V5M1-S3 PolarHBondContact O-N 3.12Å; S3-V5 VanDerWaalsContact C-N 3.32Å; S3-V5 VanDerWaalsContact OG-CG2 3.29Å; S3-V5 WeakPolarHBondContact OG-CG2 3.34Å
4T77.4Confident81.1Confident61 Ų6147.9 Ų47.937%0.37424%0.238SC..  trans-96.823.1176.8570000112.7R2 E7 H8R2-T4 PolarHBondContact O-N 3.17Å; T4-E7 VanDerWaalsContact CA-OE2 3.27Å; T4-E7 WeakPolarHBondContact CA-OE2 3.43Å; T4-E7 PolarHBondContact O-N 3.48Å; T4-H8 WeakPolarHBondContact O-CB 3.3Å; T4-H8 PolarHBondContact O-N 3.22Å
5V84.3Confident81.7Confident56 Ų5645.1 Ų45.134%0.33922%0.224SC..Hα-helixtrans-64.7-50.5-172.4173.50000110.9S3 E7 H8 S9 P255 E256S3-V5 VanDerWaalsContact C-N 3.32Å; S3-V5 VanDerWaalsContact OG-CG2 3.29Å; S3-V5 WeakPolarHBondContact OG-CG2 3.34Å; V5-E7 VanDerWaalsContact C-N 3.34Å; V5-E7 PolarHBondContact O-N 3.45Å; V5-H8 PolarHBondContact O-N 3.23Å; V5-S9 PolarHBondContact O-N 3.1Å; V5-S9 PolarHBondContact O-OG 3.36Å; V5-P255 HydrophobicContact CG1-CB 3.65Å; V5-P255 HydrophobicContact CG1-CG 3.5Å; V5-P255 VanDerWaalsContact CG1-CG 3.5Å; V5-E256 HydrophobicContact CG1-CG 4.28Å
6Q87.5Confident82Confident1 Ų146.9 Ų46.91%0.00523%0.232CC..Hα-helixtrans-63.5-38.6177.1-162.6-174.766.600112.5H8 S9 A10 W246 E256 P261 K263 S266Q6-H8 VanDerWaalsContact C-N 3.32Å; Q6-H8 PolarHBondContact O-N 3.02Å; Q6-S9 WeakPolarHBondContact O-CB 3.15Å; Q6-S9 PolarHBondContact O-N 3.46Å; Q6-A10 WeakPolarHBondContact O-CB 3.35Å; Q6-A10 PolarHBondContact O-N 3.3Å; Q6-W246 HydrophobicContact CG-CZ2 4.07Å; Q6-E256 HydrophobicContact CB-CB 3.93Å; Q6-E256 WeakPolarHBondContact CB-OE2 3.37Å; Q6-E256 HydrophobicContact CG-CB 4.1Å; Q6-E256 PolarHBondContact NE2-O 3.26Å; Q6-E256 VanDerWaalsContact NE2-O 3.11Å; Q6-P261 PolarHBondContact NE2-O 3.47Å; Q6-P261 VanDerWaalsContact NE2-O 3.1Å; Q6-K263 VanDerWaalsContact OE1-CB 3.28Å; Q6-S266 PolarHBondContact OE1-OG 3.31Å
7E90.4Very high82.2Confident6 Ų645.6 Ų45.63%0.02823%0.226CC..Hα-helixtrans-63-39.4177.5-67.990.8155.500111.8T4 V5 A10 F11 F64 K263 T265T4-E7 VanDerWaalsContact CA-OE2 3.27Å; T4-E7 WeakPolarHBondContact CA-OE2 3.43Å; T4-E7 PolarHBondContact O-N 3.48Å; V5-E7 VanDerWaalsContact C-N 3.34Å; V5-E7 PolarHBondContact O-N 3.45Å; E7-A10 PolarHBondContact O-N 3.2Å; E7-F11 WeakPolarHBondContact O-CB 3.36Å; E7-F11 PolarHBondContact O-N 3.4Å; E7-F64 HydrophobicContact CB-CE2 4.23Å; E7-F64 HydrophobicContact CB-CZ 3.85Å; E7-F64 HydrophobicContact CG-CE1 4.47Å; E7-F64 HydrophobicContact CG-CZ 3.81Å; E7-K263 IonicContact OE2-NZ 2.71Å; E7-T265 WeakPolarHBondContact OE1-CB 3.47Å; E7-T265 PolarHBondContact OE1-OG1 2.81Å
8H91.3Very high82.2Confident65 Ų6545.2 Ų45.230%0.30122%0.222SC..Hα-helixtrans-67.4-41.3175.3-172.863.7000112.4T4 V5 Q6 A10 F11 R12T4-H8 WeakPolarHBondContact O-CB 3.3Å; T4-H8 PolarHBondContact O-N 3.22Å; V5-H8 PolarHBondContact O-N 3.23Å; Q6-H8 VanDerWaalsContact C-N 3.32Å; Q6-H8 PolarHBondContact O-N 3.02Å; H8-A10 VanDerWaalsContact C-N 3.34Å; H8-A10 PolarHBondContact O-N 3.4Å; H8-F11 WeakPolarHBondContact O-CB 3.06Å; H8-F11 PolarHBondContact O-N 3.17Å; H8-R12 WeakPolarHBondContact NE2-CD 3.3Å; H8-R12 PolarHBondContact O-N 3.49Å
9S91.1Very high82.2Confident2 Ų244.4 Ų44.41%0.01422%0.219CC..Hα-helixtrans-58.9-45.4172.3-640000111.4V5 Q6 F11 R12 F13 P255V5-S9 PolarHBondContact O-N 3.1Å; V5-S9 PolarHBondContact O-OG 3.36Å; Q6-S9 WeakPolarHBondContact O-CB 3.15Å; Q6-S9 PolarHBondContact O-N 3.46Å; S9-F11 PolarHBondContact O-N 2.98Å; S9-R12 PolarHBondContact O-N 3.42Å; S9-F13 WeakPolarHBondContact O-CB 3.2Å; S9-F13 PolarHBondContact O-N 3.44Å; S9-P255 VanDerWaalsContact OG-CD 3.29Å; S9-P255 WeakPolarHBondContact OG-CD 3.33Å; S9-P255 PolarHBondContact OG-O 3.2Å
10A91.3Very high81.6Confident0 Ų047.5 Ų47.50%024%0.24CC..Hα-helixtrans-64.1-39.4178.700000112.1Q6 E7 H8 A14 W246Q6-A10 WeakPolarHBondContact O-CB 3.35Å; Q6-A10 PolarHBondContact O-N 3.3Å; E7-A10 PolarHBondContact O-N 3.2Å; H8-A10 VanDerWaalsContact C-N 3.34Å; H8-A10 PolarHBondContact O-N 3.4Å; A10-A14 WeakPolarHBondContact O-CB 3.33Å; A10-A14 PolarHBondContact O-N 3.32Å; A10-W246 HydrophobicContact CB-CH2 4.06Å; A10-W246 HydrophobicContact CB-CZ3 4.31Å
11F93.1Very high80.7Confident26 Ų2649.8 Ų49.811%0.11425%0.253CS..Hα-helixtrans-59.3-52.1173.4174.3-89.1000111.8E7 H8 S9 F13 A14 V15 Y33 F62 T269 I273E7-F11 WeakPolarHBondContact O-CB 3.36Å; E7-F11 PolarHBondContact O-N 3.4Å; H8-F11 WeakPolarHBondContact O-CB 3.06Å; H8-F11 PolarHBondContact O-N 3.17Å; S9-F11 PolarHBondContact O-N 2.98Å; F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 PolarHBondContact O-N 3.37Å; F11-A14 PolarHBondContact O-N 2.91Å; F11-V15 HydrophobicContact CD1-CG2 4.44Å; F11-V15 HydrophobicContact CE1-CG2 4.06Å; F11-V15 HydrophobicContact CE2-CG2 4.46Å; F11-V15 HydrophobicContact CZ-CG2 4.07Å; F11-V15 WeakPolarHBondContact O-CG2 3.25Å; F11-V15 PolarHBondContact O-N 3.38Å; F11-Y33 HydrophobicContact CE1-CD1 4.36Å; F11-Y33 AromaticContact CE1-CD2 3.66Å; F11-Y33 HydrophobicContact CE1-CD2 3.66Å; F11-Y33 HydrophobicContact CE1-CE2 4.22Å; F11-Y33 AromaticContact CE1-CG 3.72Å; F11-Y33 HydrophobicContact CE1-CG 3.72Å; F11-Y33 HydrophobicContact CZ-CD2 4.4Å; F11-Y33 HydrophobicContact CZ-CG 4.16Å; F11-F62 AromaticContact CD2-CD1 3.69Å; F11-F62 HydrophobicContact CD2-CD1 3.69Å; F11-F62 AromaticContact CD2-CE1 3.83Å; F11-F62 HydrophobicContact CD2-CE1 3.83Å; F11-F62 AromaticContact CE2-CD1 3.75Å; F11-F62 HydrophobicContact CE2-CD1 3.75Å; F11-F62 HydrophobicContact CE2-CE1 4.37Å; F11-F62 HydrophobicContact CE2-CG 4.33Å; F11-T269 HydrophobicContact CB-CG2 3.72Å; F11-T269 HydrophobicContact CD2-CG2 4.41Å; F11-I273 HydrophobicContact CD2-CD1 3.52Å; F11-I273 HydrophobicContact CD2-CG1 3.92Å; F11-I273 HydrophobicContact CE2-CD1 3.35Å; F11-I273 HydrophobicContact CE2-CG1 4.2Å; F11-I273 HydrophobicContact CZ-CD1 4.39Å
12R91.6Very high81.5Confident67 Ų6743.8 Ų43.825%0.25322%0.223SC..Hα-helixtrans-61.3-43.1-179-73.3-17866.3-155.6-6.9111.5H8 S9 V15 Q16 Y33 E253 F254H8-R12 WeakPolarHBondContact NE2-CD 3.3Å; H8-R12 PolarHBondContact O-N 3.49Å; S9-R12 PolarHBondContact O-N 3.42Å; R12-V15 PolarHBondContact O-N 3.2Å; R12-Q16 WeakPolarHBondContact O-CG 3.39Å; R12-Q16 PolarHBondContact O-N 2.97Å; R12-Y33 HydrophobicContact CG-CE2 4.46Å; R12-E253 PolarHBondContact NH1-O 2.93Å; R12-E253 IonicContact NH2-OE1 2.88Å; R12-F254 HydrophobicContact CB-CE1 3.9Å
13F90.1Very high81.4Confident19 Ų1946.3 Ų46.38%0.08324%0.242CC..Hα-helixtrans-63.3-44.8177.5178-107.8000112S9 F11 V15 Q16 L17 F242 R245 W246 L249 F254S9-F13 WeakPolarHBondContact O-CB 3.2Å; S9-F13 PolarHBondContact O-N 3.44Å; F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 PolarHBondContact O-N 3.37Å; F13-V15 VanDerWaalsContact C-N 3.35Å; F13-V15 PolarHBondContact O-N 3Å; F13-Q16 PolarHBondContact O-N 3.41Å; F13-L17 WeakPolarHBondContact O-CB 3.3Å; F13-L17 PolarHBondContact O-N 3.05Å; F13-F242 HydrophobicContact CD1-CD2 4.39Å; F13-F242 AromaticContact CD1-CE2 3.55Å; F13-F242 HydrophobicContact CD1-CE2 3.55Å; F13-F242 HydrophobicContact CD1-CZ 4.21Å; F13-F242 AromaticContact CE1-CD2 3.78Å; F13-F242 HydrophobicContact CE1-CD2 3.78Å; F13-F242 AromaticContact CE1-CE2 3.39Å; F13-F242 HydrophobicContact CE1-CE2 3.39Å; F13-F242 HydrophobicContact CE1-CZ 4.3Å; F13-R245 HydrophobicContact CZ-CB 4.03Å; F13-W246 HydrophobicContact CB-CZ3 3.97Å; F13-W246 HydrophobicContact CD1-CE3 4.05Å; F13-W246 HydrophobicContact CD1-CZ3 4.21Å; F13-W246 HydrophobicContact CG-CE3 4.3Å; F13-W246 HydrophobicContact CG-CZ3 4.2Å; F13-L249 HydrophobicContact CB-CD1 4.43Å; F13-L249 HydrophobicContact CD2-CD1 3.58Å; F13-L249 HydrophobicContact CD2-CD2 3.86Å; F13-L249 HydrophobicContact CD2-CG 4.3Å; F13-L249 HydrophobicContact CE2-CD1 3.95Å; F13-L249 HydrophobicContact CE2-CD2 3.84Å; F13-L249 HydrophobicContact CE2-CG 4.32Å; F13-L249 HydrophobicContact CG-CD1 3.97Å; F13-F254 HydrophobicContact CB-CD1 4.38Å; F13-F254 HydrophobicContact CB-CE1 3.92Å
14A89.2Confident80.6Confident0 Ų050.6 Ų50.60%027%0.266CS..Hα-helixtrans-61.5-42177.400000112.1A10 F11 L17 Y18 H270 I273A10-A14 WeakPolarHBondContact O-CB 3.33Å; A10-A14 PolarHBondContact O-N 3.32Å; F11-A14 PolarHBondContact O-N 2.91Å; A14-L17 WeakPolarHBondContact O-CB 3.34Å; A14-L17 PolarHBondContact O-N 2.94Å; A14-Y18 HydrophobicContact CB-CE2 4.48Å; A14-Y18 WeakPolarHBondContact O-CD2 3.27Å; A14-Y18 PolarHBondContact O-N 3.17Å; A14-H270 HydrophobicContact CB-CB 4.43Å; A14-I273 HydrophobicContact CB-CB 3.89Å; A14-I273 HydrophobicContact CB-CG1 4.1Å; A14-I273 HydrophobicContact CB-CG2 4.1Å
15V89.5Confident79.4Confident6 Ų654.1 Ų54.14%0.03629%0.288CS..Hα-helixtrans-63.1-45176.41730000111.3F11 R12 F13 L17 Y18 N19 L31 Y33 I273F11-V15 HydrophobicContact CD1-CG2 4.44Å; F11-V15 HydrophobicContact CE1-CG2 4.06Å; F11-V15 HydrophobicContact CE2-CG2 4.46Å; F11-V15 HydrophobicContact CZ-CG2 4.07Å; F11-V15 WeakPolarHBondContact O-CG2 3.25Å; F11-V15 PolarHBondContact O-N 3.38Å; R12-V15 PolarHBondContact O-N 3.2Å; F13-V15 VanDerWaalsContact C-N 3.35Å; F13-V15 PolarHBondContact O-N 3Å; V15-L17 VanDerWaalsContact C-N 3.32Å; V15-L17 PolarHBondContact O-N 2.9Å; V15-Y18 PolarHBondContact O-N 2.86Å; V15-N19 WeakPolarHBondContact CG1-ND2 3.28Å; V15-N19 VanDerWaalsContact O-CB 3.26Å; V15-N19 WeakPolarHBondContact O-CB 2.98Å; V15-N19 VanDerWaalsContact O-CG 3.22Å; V15-N19 PolarHBondContact O-N 3.46Å; V15-N19 PolarHBondContact O-ND2 3.33Å; V15-L31 HydrophobicContact CG1-CB 4.32Å; V15-Y33 HydrophobicContact CB-CD1 4.5Å; V15-Y33 HydrophobicContact CG1-CD1 3.84Å; V15-Y33 HydrophobicContact CG1-CE1 4.08Å; V15-Y33 HydrophobicContact CG2-CD1 4.48Å; V15-I273 HydrophobicContact CG2-CG2 4Å
16Q87.2Confident78.1Confident75 Ų7555 Ų5535%0.3529%0.288SS..Hα-helixtrans-60.1-42.9175.3-73.8177.5-10.800111.5R12 F13 T20R12-Q16 WeakPolarHBondContact O-CG 3.39Å; R12-Q16 PolarHBondContact O-N 2.97Å; F13-Q16 PolarHBondContact O-N 3.41Å; Q16-T20 WeakPolarHBondContact O-CB 3.47Å; Q16-T20 WeakPolarHBondContact O-CG2 3.49Å; Q16-T20 PolarHBondContact O-N 3.36Å; Q16-T20 VanDerWaalsContact O-N 3.14Å; Q16-T20 PolarHBondContact O-OG1 2.72Å
17L85.2Confident76.7Confident25 Ų2562.6 Ų62.613%0.13132%0.321CS..Hα-helixtrans-61-49.2179.7-178.266.7000112F13 A14 V15 T20 N21F13-L17 WeakPolarHBondContact O-CB 3.3Å; F13-L17 PolarHBondContact O-N 3.05Å; A14-L17 WeakPolarHBondContact O-CB 3.34Å; A14-L17 PolarHBondContact O-N 2.94Å; V15-L17 VanDerWaalsContact C-N 3.32Å; V15-L17 PolarHBondContact O-N 2.9Å; L17-T20 PolarHBondContact O-N 2.75Å; L17-T20 PolarHBondContact O-OG1 3.46Å; L17-T20 VanDerWaalsContact O-OG1 3.09Å; L17-N21 WeakPolarHBondContact O-CB 3.33Å; L17-N21 PolarHBondContact O-N 3.37Å
18Y82.8Confident75.5Confident38 Ų3865.9 Ų65.915%0.14934%0.343CS..Hα-helixtrans-80.3-18.7-176.8-66.2-61.4000114.2A14 V15 H270 I273 L274 A277A14-Y18 HydrophobicContact CB-CE2 4.48Å; A14-Y18 WeakPolarHBondContact O-CD2 3.27Å; A14-Y18 PolarHBondContact O-N 3.17Å; V15-Y18 PolarHBondContact O-N 2.86Å; Y18-H270 PolarHBondContact OH-CE1 2.93Å; Y18-I273 HydrophobicContact CD2-CG2 4.05Å; Y18-L274 HydrophobicContact CE1-CD1 3.76Å; Y18-L274 HydrophobicContact CE2-CB 3.93Å; Y18-L274 WeakPolarHBondContact OH-CB 3.28Å; Y18-L274 WeakPolarHBondContact OH-CD1 3.38Å; Y18-A277 HydrophobicContact CG-CB 4.39Å
19N82.1Confident74.7Confident30 Ų3065.3 Ų65.316%0.1634%0.34CS..Hα-helixtrans-76.3-27.2169.7-76.9-17.4000112.6V15 L31V15-N19 WeakPolarHBondContact CG1-ND2 3.28Å; V15-N19 VanDerWaalsContact O-CB 3.26Å; V15-N19 WeakPolarHBondContact O-CB 2.98Å; V15-N19 VanDerWaalsContact O-CG 3.22Å; V15-N19 PolarHBondContact O-N 3.46Å; V15-N19 PolarHBondContact O-ND2 3.33Å; N19-L31 PolarHBondContact ND2-O 3.41Å; N19-L31 VanDerWaalsContact ND2-O 3.15Å; N19-L31 PolarHBondContact OD1-N 2.95Å
20T68.6Low74.4Confident106 Ų10670.7 Ų70.765%0.6536%0.364SS*.Hα-helixtrans-95.8-32.3-177.651.10000113.5Q16 L17 Q22Q16-T20 WeakPolarHBondContact O-CB 3.47Å; Q16-T20 WeakPolarHBondContact O-CG2 3.49Å; Q16-T20 PolarHBondContact O-N 3.36Å; Q16-T20 VanDerWaalsContact O-N 3.14Å; Q16-T20 PolarHBondContact O-OG1 2.72Å; L17-T20 PolarHBondContact O-N 2.75Å; L17-T20 PolarHBondContact O-OG1 3.46Å; L17-T20 VanDerWaalsContact O-OG1 3.09Å; T20-Q22 VanDerWaalsContact C-N 3.29Å; T20-Q22 PolarHBondContact O-N 3.34Å
21N62.8Low74.2Confident96 Ų9672 Ų7251%0.51337%0.372SS..  trans-7676.5173.4-101.7-13.3000111.4L17 N23L17-N21 WeakPolarHBondContact O-CB 3.33Å; L17-N21 PolarHBondContact O-N 3.37Å; N21-N23 PolarHBondContact O-N 2.92Å
22Q55.8Low74Confident99 Ų9978.1 Ų78.146%0.46341%0.405SS..  trans-85.797.8168.6-66.4178.86.600108.7T20 V24T20-Q22 VanDerWaalsContact C-N 3.29Å; T20-Q22 PolarHBondContact O-N 3.34Å; Q22-V24 PolarHBondContact O-N 2.57Å; Q22-V24 VanDerWaalsContact O-N 3.14Å
23N54.9Low74Confident140 Ų14079.8 Ų79.875%0.74941%0.412SS*.  trans-56.8120.6158.1-87.7-16.5000107.3N21 T25N21-N23 PolarHBondContact O-N 2.92Å; N23-T25 PolarHBondContact O-N 2.99Å
24V46.8Very low74Confident145 Ų14582.2 Ų82.288%0.87943%0.426SS*.THydrogen-bonded Turntrans-64.6-1.1-158.6178.10000114.7Q22Q22-V24 PolarHBondContact O-N 2.57Å; Q22-V24 VanDerWaalsContact O-N 3.14Å
25T51.7Low74.1Confident134 Ų13484.7 Ų84.782%0.82244%0.441SS*.THydrogen-bonded Turntrans-97-9.4-172.949.40000115.1N23N23-T25 PolarHBondContact O-N 2.99Å
26E57Low74.2Confident75 Ų7587.3 Ų87.335%0.3546%0.455SS..SBendtrans-118.5146.1-174.8-66-179.1178.400112.5R285E26-R285 IonicContact OE1-CZ 2.76Å; E26-R285 IonicContact OE1-NE 3.9Å; E26-R285 PolarHBondContact OE1-NE 2.81Å; E26-R285 IonicContact OE1-NH2 3.25Å; E26-R285 PolarHBondContact OE1-NH2 3.04Å; E26-R285 IonicContact OE2-NH2 3.96Å
27K57.6Low74.2Confident161 Ų16190.8 Ų90.870%0.748%0.476SS*.  trans-57131.2174.2-73.8-175.7177.5-178.60109.3R284K27-R284 PolarHBondContact O-NH1 3.12Å
28P65.2Low74.4Confident75 Ų7593.2 Ų93.249%0.48749%0.488SS..  trans-64.7140.2-17726.4-34.6000111.3R284P28-R284 PolarHBondContact O-NH1 3.48Å
29F75Confident74.4Confident52 Ų5296.8 Ų96.823%0.22851%0.507CS..  trans-127.9150162.870.5-75.3000108.6L31 A277 F280 R281F29-L31 HydrophobicContact CE2-CD2 4.09Å; F29-L31 HydrophobicContact CE2-CG 4.1Å; F29-A277 WeakPolarHBondContact CZ-O 3.33Å; F29-F280 HydrophobicContact CE2-CB 4.01Å; F29-F280 HydrophobicContact CZ-CB 4.36Å; F29-R281 HydrophobicContact CE1-CG 3.42Å; F29-R281 VanDerWaalsContact CE1-CG 3.42Å; F29-R281 HydrophobicContact CZ-CG 3.76Å
30H84.6Confident74.4Confident115 Ų11597.4 Ų97.453%0.53251%0.514SS..  trans-117.1131.3179-66.6-69.6000109.4N32H30-N32 PolarHBondContact O-N 3.36Å
31L86.9Confident75Confident29 Ų2994.1 Ų94.115%0.15250%0.495CS..  trans-81.2106.6169.8-66.4167.6000107.8V15 N19 F29 I273 I276 A277 F280V15-L31 HydrophobicContact CG1-CB 4.32Å; N19-L31 PolarHBondContact ND2-O 3.41Å; N19-L31 VanDerWaalsContact ND2-O 3.15Å; N19-L31 PolarHBondContact OD1-N 2.95Å; F29-L31 HydrophobicContact CE2-CD2 4.09Å; F29-L31 HydrophobicContact CE2-CG 4.1Å; L31-I273 HydrophobicContact CD1-CG2 4.31Å; L31-I276 HydrophobicContact CD2-CG2 4.29Å; L31-A277 HydrophobicContact CD1-CB 4.07Å; L31-F280 HydrophobicContact CD2-CD2 4.27Å
32N89.9Confident76.2Confident154 Ų15493.2 Ų93.282%0.82449%0.49SS*.  trans-91.6132.4169.1-66.7-18.2000108.2H30H30-N32 PolarHBondContact O-N 3.36Å
33Y90.7Very high77.8Confident102 Ų10290.2 Ų90.240%0.448%0.48SS..  trans-120.8152-178.866.1-85.7000110.7F11 R12 V15 V35F11-Y33 HydrophobicContact CE1-CD1 4.36Å; F11-Y33 AromaticContact CE1-CD2 3.66Å; F11-Y33 HydrophobicContact CE1-CD2 3.66Å; F11-Y33 HydrophobicContact CE1-CE2 4.22Å; F11-Y33 AromaticContact CE1-CG 3.72Å; F11-Y33 HydrophobicContact CE1-CG 3.72Å; F11-Y33 HydrophobicContact CZ-CD2 4.4Å; F11-Y33 HydrophobicContact CZ-CG 4.16Å; R12-Y33 HydrophobicContact CG-CE2 4.46Å; V15-Y33 HydrophobicContact CB-CD1 4.5Å; V15-Y33 HydrophobicContact CG1-CD1 3.84Å; V15-Y33 HydrophobicContact CG1-CE1 4.08Å; V15-Y33 HydrophobicContact CG2-CD1 4.48Å; Y33-V35 HydrophobicContact CD2-CG2 3.51Å; Y33-V35 HydrophobicContact CE2-CG2 3.67Å
34N91.3Very high79.6Confident69 Ų6991 Ų9137%0.36948%0.477SS..  trans-128.8136.4173.3-18037.2000107.7Q53 R56N34-Q53 VanDerWaalsContact ND2-CD 3.3Å; N34-Q53 PolarHBondContact ND2-NE2 3.25Å; N34-Q53 PolarHBondContact ND2-OE1 2.85Å; N34-R56 VanDerWaalsContact CG-NH1 3.3Å; N34-R56 WeakPolarHBondContact ND2-CD 3.49Å; N34-R56 VanDerWaalsContact ND2-CZ 3.32Å; N34-R56 PolarHBondContact ND2-NH1 3.36Å; N34-R56 PolarHBondContact OD1-NH1 3.32Å
35V91.1Very high81.7Confident52 Ų5285.4 Ų85.432%0.31544%0.444SS..  trans-117.7125.6-168.8-1730000109.5Y33Y33-V35 HydrophobicContact CD2-CG2 3.51Å; Y33-V35 HydrophobicContact CE2-CG2 3.67Å
36D90.5Very high83.6Confident62 Ų6279.6 Ų79.633%0.33241%0.408SS..  trans-111.6114.4168.9-65.4-30000109.4L38 A49 Q53D36-L38 HydrophobicContact CB-CD2 4.27Å; D36-A49 HydrophobicContact CB-CB 4.29Å; D36-Q53 PolarHBondContact OD1-NE2 2.86Å; D36-Q53 PolarHBondContact OD2-NE2 2.87Å
37N88.4Confident85.3Confident147 Ų14777.6 Ų77.679%0.78640%0.401SS*.  trans-88.7109.3173.5-67.7-34.5000108.9
38L88.6Confident86.9Confident76 Ų7676.1 Ų76.140%0.39840%0.397SS..  trans-143.2162.6-176.863.285.6000111.8D36 V46 A49D36-L38 HydrophobicContact CB-CD2 4.27Å; L38-V46 HydrophobicContact CD1-CG2 3.71Å; L38-A49 HydrophobicContact CD2-CB 3.15Å
39E83.4Confident88.2Confident113 Ų11373.1 Ų73.153%0.52838%0.378SS..  trans-80.5119171.9-163.1-176.3171.100110.4S41 N42 S45E39-S41 VanDerWaalsContact C-N 3.25Å; E39-S41 WeakPolarHBondContact CG-OG 3.17Å; E39-S41 PolarHBondContact O-N 2.89Å; E39-S41 PolarHBondContact OE1-OG 3.46Å; E39-N42 PolarHBondContact O-N 2.98Å; E39-S45 PolarHBondContact O-OG 2.96Å
40S80.6Confident89.1Confident44 Ų4471 Ų7131%0.30837%0.369SS..THydrogen-bonded Turntrans-72.2-16.5-177.457.80000114N42 S69S40-N42 VanDerWaalsContact C-N 3.33Å; S40-S69 VanDerWaalsContact O-CB 3.25Å; S40-S69 WeakPolarHBondContact O-CB 3.38Å; S40-S69 PolarHBondContact O-OG 2.87Å
41S81.1Confident89.4Confident36 Ų3666.5 Ų66.525%0.25235%0.35SS..THydrogen-bonded Turntrans-73-27.8179.875.50000112.2E39E39-S41 VanDerWaalsContact C-N 3.25Å; E39-S41 WeakPolarHBondContact CG-OG 3.17Å; E39-S41 PolarHBondContact O-N 2.89Å; E39-S41 PolarHBondContact OE1-OG 3.46Å
42N88.9Confident89.6Confident77 Ų7766.4 Ų66.441%0.41235%0.352SS..  trans-92.1108.8-178.2-177.8-4.4000110.1E39 S40 F44 S45 V46E39-N42 PolarHBondContact O-N 2.98Å; S40-N42 VanDerWaalsContact C-N 3.33Å; N42-F44 PolarHBondContact O-N 3.37Å; N42-F44 WeakPolarHBondContact OD1-CB 3.41Å; N42-F44 PolarHBondContact OD1-N 3.41Å; N42-S45 WeakPolarHBondContact CB-OG 3.23Å; N42-S45 PolarHBondContact O-N 3.31Å; N42-S45 PolarHBondContact O-OG 2.87Å; N42-V46 WeakPolarHBondContact O-CG2 3.39Å; N42-V46 PolarHBondContact O-N 2.97Å
43S90.6Very high89.7Confident36 Ų3659.8 Ų59.825%0.25232%0.316SS..Hα-helixtrans-64.4-26.8-178.6-68.70000113.2T47 K68S43-T47 WeakPolarHBondContact O-CB 3.49Å; S43-T47 PolarHBondContact O-N 3Å; S43-T47 PolarHBondContact O-OG1 3.01Å; S43-K68 PolarHBondContact OG-O 3.38Å
44F90.8Very high89.6Confident156 Ų15655.1 Ų55.168%0.68430%0.298SS*.Hα-helixtrans-71.8-44.1179.8-178.5-98.6000111.9N42 V46 T47 H48N42-F44 PolarHBondContact O-N 3.37Å; N42-F44 WeakPolarHBondContact OD1-CB 3.41Å; N42-F44 PolarHBondContact OD1-N 3.41Å; F44-V46 VanDerWaalsContact C-N 3.32Å; F44-V46 PolarHBondContact O-N 3.25Å; F44-T47 WeakPolarHBondContact O-CB 3.28Å; F44-T47 PolarHBondContact O-N 2.57Å; F44-H48 PolarHBondContact O-N 3.49Å
45S90.8Very high89.4Confident29 Ų2954.4 Ų54.420%0.20330%0.298CS..Hα-helixtrans-62.8-40.9175.151.10000111.3E39 N42 T47 H48 A49E39-S45 PolarHBondContact O-OG 2.96Å; N42-S45 WeakPolarHBondContact CB-OG 3.23Å; N42-S45 PolarHBondContact O-N 3.31Å; N42-S45 PolarHBondContact O-OG 2.87Å; S45-T47 VanDerWaalsContact C-N 3.33Å; S45-T47 PolarHBondContact O-N 3.36Å; S45-H48 PolarHBondContact O-N 3.11Å; S45-A49 WeakPolarHBondContact O-CB 3.34Å; S45-A49 PolarHBondContact O-N 2.84Å
46V92.3Very high89.2Confident11 Ų1159.1 Ų59.17%0.06731%0.31CS..Hα-helixtrans-60.8-42.9174.3174.40000111.1L38 N42 F44 A49 F50 L73L38-V46 HydrophobicContact CD1-CG2 3.71Å; N42-V46 WeakPolarHBondContact O-CG2 3.39Å; N42-V46 PolarHBondContact O-N 2.97Å; F44-V46 VanDerWaalsContact C-N 3.32Å; F44-V46 PolarHBondContact O-N 3.25Å; V46-A49 PolarHBondContact O-N 3.45Å; V46-F50 VanDerWaalsContact O-CB 3.28Å; V46-F50 WeakPolarHBondContact O-CB 3.25Å; V46-F50 PolarHBondContact O-N 3.06Å; V46-L73 HydrophobicContact CG1-CD1 3.85Å; V46-L73 HydrophobicContact CG1-CD2 3.71Å; V46-L73 HydrophobicContact CG1-CG 3.66Å
47T92.3Very high89.1Confident33 Ų3357 Ų5720%0.20230%0.303CS..Hα-helixtrans-62.4-48.6177.5-570000111.3S43 F44 S45 A49 F50 C51 T72 F76S43-T47 WeakPolarHBondContact O-CB 3.49Å; S43-T47 PolarHBondContact O-N 3Å; S43-T47 PolarHBondContact O-OG1 3.01Å; F44-T47 WeakPolarHBondContact O-CB 3.28Å; F44-T47 PolarHBondContact O-N 2.57Å; S45-T47 VanDerWaalsContact C-N 3.33Å; S45-T47 PolarHBondContact O-N 3.36Å; T47-A49 PolarHBondContact O-N 3.46Å; T47-F50 PolarHBondContact O-N 3.45Å; T47-C51 WeakPolarHBondContact O-CB 3.24Å; T47-C51 PolarHBondContact O-N 2.7Å; T47-C51 PolarHBondContact O-SG 3.16Å; T47-T72 WeakPolarHBondContact OG1-CG2 3.47Å; T47-F76 HydrophobicContact CG2-CE2 3.71Å; T47-F76 HydrophobicContact CG2-CZ 3.71Å
48H92.2Very high89.2Confident131 Ų13151.7 Ų51.761%0.60628%0.276SS*.Hα-helixtrans-61.1-44179.1-179-85.6000112F44 S45 C51 S52F44-H48 PolarHBondContact O-N 3.49Å; S45-H48 PolarHBondContact O-N 3.11Å; H48-C51 PolarHBondContact O-N 3.02Å; H48-S52 WeakPolarHBondContact O-CB 3.25Å; H48-S52 PolarHBondContact O-N 3.41Å
49A92.3Very high89.2Confident12 Ų1252.5 Ų52.510%0.09927%0.274CS..Hα-helixtrans-64.9-43.4176.700000112D36 L38 S45 V46 T47 C51 S52 Q53D36-A49 HydrophobicContact CB-CB 4.29Å; L38-A49 HydrophobicContact CD2-CB 3.15Å; S45-A49 WeakPolarHBondContact O-CB 3.34Å; S45-A49 PolarHBondContact O-N 2.84Å; V46-A49 PolarHBondContact O-N 3.45Å; T47-A49 PolarHBondContact O-N 3.46Å; A49-C51 PolarHBondContact O-N 3.48Å; A49-S52 WeakPolarHBondContact O-CB 3.48Å; A49-S52 PolarHBondContact O-N 3.31Å; A49-Q53 WeakPolarHBondContact O-CG 3.47Å; A49-Q53 PolarHBondContact O-N 2.85Å
50F93Very high89.6Confident7 Ų748.3 Ų48.33%0.03126%0.259CS..Hα-helixtrans-58.9-47.2175.9-177.8-86.4000111.6V46 T47 S52 Q53 F54 I61 L73 F76 L80V46-F50 VanDerWaalsContact O-CB 3.28Å; V46-F50 WeakPolarHBondContact O-CB 3.25Å; V46-F50 PolarHBondContact O-N 3.06Å; T47-F50 PolarHBondContact O-N 3.45Å; F50-S52 PolarHBondContact O-N 3.4Å; F50-Q53 PolarHBondContact O-N 3.49Å; F50-F54 WeakPolarHBondContact O-CB 3.19Å; F50-F54 PolarHBondContact O-N 2.91Å; F50-I61 HydrophobicContact CD2-CD1 3.62Å; F50-I61 HydrophobicContact CE2-CD1 3.51Å; F50-I61 HydrophobicContact CZ-CD1 4.32Å; F50-L73 HydrophobicContact CD2-CD2 3.87Å; F50-F76 HydrophobicContact CD1-CB 3.96Å; F50-F76 HydrophobicContact CD1-CD1 4.19Å; F50-F76 HydrophobicContact CD1-CG 4.04Å; F50-F76 HydrophobicContact CE1-CB 3.53Å; F50-F76 HydrophobicContact CE1-CD1 4.02Å; F50-F76 AromaticContact CE1-CG 3.96Å; F50-F76 HydrophobicContact CE1-CG 3.96Å; F50-F76 HydrophobicContact CE2-CB 4.28Å; F50-F76 HydrophobicContact CZ-CB 3.71Å; F50-L80 HydrophobicContact CE1-CD1 3.73Å; F50-L80 HydrophobicContact CZ-CD1 4.4Å
51C91.1Very high90.3Very high20 Ų2047.3 Ų47.314%0.13525%0.25CC..Hα-helixtrans-63.1-38.3175.8-69.70000113.1T47 H48 A49 F54 S55 C299T47-C51 WeakPolarHBondContact O-CB 3.24Å; T47-C51 PolarHBondContact O-N 2.7Å; T47-C51 PolarHBondContact O-SG 3.16Å; H48-C51 PolarHBondContact O-N 3.02Å; A49-C51 PolarHBondContact O-N 3.48Å; C51-F54 PolarHBondContact O-N 3.47Å; C51-S55 WeakPolarHBondContact O-CB 3.31Å; C51-S55 PolarHBondContact O-N 3.49Å; C51-S55 PolarHBondContact O-OG 3.48Å; C51-C299 HydrophobicContact CB-CB 3.79Å; C51-C299 WeakPolarHBondContact CB-SG 3.49Å; C51-C299 WeakPolarHBondContact SG-CB 3.49Å; C51-C299 CovalentContact SG-SG 2.02Å; C51-C299 PolarHBondContact SG-SG 3.47Å
52S91.8Very high90.9Very high27 Ų2747.9 Ų47.919%0.18925%0.248CC..Hα-helixtrans-60.9-46.4172.9171.60000111.5H48 A49 F50 S55 R56H48-S52 WeakPolarHBondContact O-CB 3.25Å; H48-S52 PolarHBondContact O-N 3.41Å; A49-S52 WeakPolarHBondContact O-CB 3.48Å; A49-S52 PolarHBondContact O-N 3.31Å; F50-S52 PolarHBondContact O-N 3.4Å; S52-S55 PolarHBondContact O-OG 3.05Å; S52-R56 VanDerWaalsContact O-CG 3.25Å; S52-R56 WeakPolarHBondContact O-CG 3.44Å; S52-R56 PolarHBondContact O-N 3.11Å; S52-R56 VanDerWaalsContact O-N 3.17Å
53Q91Very high91.1Very high16 Ų1644.9 Ų44.98%0.07524%0.235CC..Hα-helixtrans-68.6-38.7177-63.1-61.6-13.500112.2N34 D36 A49 F50 R56 G57 V58 I61N34-Q53 VanDerWaalsContact ND2-CD 3.3Å; N34-Q53 PolarHBondContact ND2-NE2 3.25Å; N34-Q53 PolarHBondContact ND2-OE1 2.85Å; D36-Q53 PolarHBondContact OD1-NE2 2.86Å; D36-Q53 PolarHBondContact OD2-NE2 2.87Å; A49-Q53 WeakPolarHBondContact O-CG 3.47Å; A49-Q53 PolarHBondContact O-N 2.85Å; F50-Q53 PolarHBondContact O-N 3.49Å; Q53-R56 WeakPolarHBondContact O-CB 3.47Å; Q53-R56 PolarHBondContact O-N 3.5Å; Q53-G57 PolarHBondContact O-N 2.82Å; Q53-V58 HydrophobicContact CB-CG1 4.39Å; Q53-V58 HydrophobicContact CB-CG2 3.96Å; Q53-V58 WeakPolarHBondContact O-CG2 3.23Å; Q53-V58 PolarHBondContact O-N 3.09Å; Q53-I61 HydrophobicContact CB-CD1 4.26Å
54F89.4Confident91.1Very high4 Ų445.6 Ų45.62%0.01823%0.234CC..Hα-helixtrans-61.1-49.6176.8-176.8-99.9000111.3F50 C51 R56 G57 L80 A296 C299F50-F54 WeakPolarHBondContact O-CB 3.19Å; F50-F54 PolarHBondContact O-N 2.91Å; C51-F54 PolarHBondContact O-N 3.47Å; F54-R56 VanDerWaalsContact C-N 3.27Å; F54-R56 PolarHBondContact O-N 3.4Å; F54-G57 WeakPolarHBondContact O-CA 3.19Å; F54-G57 PolarHBondContact O-N 2.83Å; F54-L80 HydrophobicContact CD1-CD1 4.07Å; F54-L80 HydrophobicContact CD2-CB 4.32Å; F54-L80 HydrophobicContact CD2-CD1 3.68Å; F54-L80 HydrophobicContact CE1-CD1 4.08Å; F54-L80 HydrophobicContact CE2-CB 3.81Å; F54-L80 HydrophobicContact CE2-CD1 3.7Å; F54-L80 HydrophobicContact CE2-CG 4.25Å; F54-L80 HydrophobicContact CG-CD1 3.87Å; F54-L80 HydrophobicContact CZ-CB 4.33Å; F54-L80 HydrophobicContact CZ-CD1 3.89Å; F54-L80 HydrophobicContact CZ-CD2 4.28Å; F54-L80 HydrophobicContact CZ-CG 4.41Å; F54-A296 HydrophobicContact CD1-CB 4.09Å; F54-A296 HydrophobicContact CE1-CB 3.92Å; F54-A296 WeakPolarHBondContact CE1-O 3.09Å; F54-A296 HydrophobicContact CZ-CB 4.24Å; F54-A296 WeakPolarHBondContact O-CB 3.49Å; F54-C299 HydrophobicContact CD1-CB 4.16Å
55S87Confident91.1Very high53 Ų5338.5 Ų38.537%0.37120%0.203SC..Hα-helixtrans-61.7-32.117859.20000113.3C51 S52 G57C51-S55 WeakPolarHBondContact O-CB 3.31Å; C51-S55 PolarHBondContact O-N 3.49Å; C51-S55 PolarHBondContact O-OG 3.48Å; S52-S55 PolarHBondContact O-OG 3.05Å; S55-G57 PolarHBondContact O-N 2.99Å
56R88.1Confident91Very high152 Ų15238.8 Ų38.857%0.57420%0.202SC*.THydrogen-bonded Turntrans-68.1-13.9170.5-70.7172.7-168.8-134.31.5113.6N34 S52 Q53 F54N34-R56 VanDerWaalsContact CG-NH1 3.3Å; N34-R56 WeakPolarHBondContact ND2-CD 3.49Å; N34-R56 VanDerWaalsContact ND2-CZ 3.32Å; N34-R56 PolarHBondContact ND2-NH1 3.36Å; N34-R56 PolarHBondContact OD1-NH1 3.32Å; S52-R56 VanDerWaalsContact O-CG 3.25Å; S52-R56 WeakPolarHBondContact O-CG 3.44Å; S52-R56 PolarHBondContact O-N 3.11Å; S52-R56 VanDerWaalsContact O-N 3.17Å; Q53-R56 WeakPolarHBondContact O-CB 3.47Å; Q53-R56 PolarHBondContact O-N 3.5Å; F54-R56 VanDerWaalsContact C-N 3.27Å; F54-R56 PolarHBondContact O-N 3.4Å
57G86.9Confident90.6Very high17 Ų1742.9 Ų42.918%0.17522%0.216CC..THydrogen-bonded Turntrans76.235.3176.500000114Q53 F54 S55Q53-G57 PolarHBondContact O-N 2.82Å; F54-G57 WeakPolarHBondContact O-CA 3.19Å; F54-G57 PolarHBondContact O-N 2.83Å; S55-G57 PolarHBondContact O-N 2.99Å
58V90.1Very high90.4Very high35 Ų3548.2 Ų48.221%0.21224%0.237CC..  trans-64.3147.9176.4-57.80000112Q53 I61Q53-V58 HydrophobicContact CB-CG1 4.39Å; Q53-V58 HydrophobicContact CB-CG2 3.96Å; Q53-V58 WeakPolarHBondContact O-CG2 3.23Å; Q53-V58 PolarHBondContact O-N 3.09Å; V58-I61 HydrophobicContact CG2-CD1 4.25Å; V58-I61 HydrophobicContact CG2-CG1 3.71Å
59Y89.6Confident90.3Very high94 Ų9442 Ų4237%0.36921%0.208SC..SBendtrans-85.1-26.8-177.9-62.9-92.3000113.5V290 W307 I313Y59-V290 HydrophobicContact CE1-CG2 4.39Å; Y59-V290 VanDerWaalsContact CE1-O 3.32Å; Y59-V290 WeakPolarHBondContact CE1-O 3.49Å; Y59-W307 AromaticContact CD1-CH2 3.44Å; Y59-W307 HydrophobicContact CD1-CH2 3.44Å; Y59-W307 VanDerWaalsContact CD1-CH2 3.44Å; Y59-W307 AromaticContact CD1-CZ2 3.67Å; Y59-W307 HydrophobicContact CD1-CZ2 3.67Å; Y59-W307 HydrophobicContact CE1-CH2 4.29Å; Y59-W307 HydrophobicContact CE1-CZ2 4.08Å; Y59-W307 HydrophobicContact CG-CH2 4.05Å; Y59-W307 WeakPolarHBondContact O-CZ3 3.36Å; Y59-I313 HydrophobicContact CD1-CD1 4.47Å
60A92.1Very high90.1Very high25 Ų2542.9 Ų42.921%0.20721%0.21CC..  trans-153.8149.1178.100000108.8I85A60-I85 HydrophobicContact CB-CD1 3.91Å
61I94.6Very high90Very high22 Ų2247.7 Ų47.711%0.11324%0.236CC..EExtended strand (participates in β ladder)trans-114127176.4-61.5173.7000108F50 Q53 V58 T82 S83 F84 I85F50-I61 HydrophobicContact CD2-CD1 3.62Å; F50-I61 HydrophobicContact CE2-CD1 3.51Å; F50-I61 HydrophobicContact CZ-CD1 4.32Å; Q53-I61 HydrophobicContact CB-CD1 4.26Å; V58-I61 HydrophobicContact CG2-CD1 4.25Å; V58-I61 HydrophobicContact CG2-CG1 3.71Å; I61-T82 HydrophobicContact CD1-CG2 3.79Å; I61-T82 HydrophobicContact CG1-CG2 4.08Å; I61-S83 PolarHBondContact N-O 3.38Å; I61-F84 HydrophobicContact CB-CD2 3.95Å; I61-F84 HydrophobicContact CG2-CD2 3.64Å; I61-F84 HydrophobicContact CG2-CE2 3.87Å; I61-F84 CarbonylContact O-C 3.33Å; I61-F84 VanDerWaalsContact O-CA 3.27Å; I61-F84 WeakPolarHBondContact O-CA 3.16Å; I61-I85 PolarHBondContact O-N 2.88Å
62F94.9Very high90Very high48 Ų4848.3 Ų48.321%0.21124%0.239CC..EExtended strand (participates in β ladder)trans-109.3133172170.6-96.3000108.9F11 I85 P87 T269 A272 I276F11-F62 AromaticContact CD2-CD1 3.69Å; F11-F62 HydrophobicContact CD2-CD1 3.69Å; F11-F62 AromaticContact CD2-CE1 3.83Å; F11-F62 HydrophobicContact CD2-CE1 3.83Å; F11-F62 AromaticContact CE2-CD1 3.75Å; F11-F62 HydrophobicContact CE2-CD1 3.75Å; F11-F62 HydrophobicContact CE2-CE1 4.37Å; F11-F62 HydrophobicContact CE2-CG 4.33Å; F62-I85 WeakPolarHBondContact CA-O 3.31Å; F62-I85 HydrophobicContact CD2-CB 4.24Å; F62-I85 HydrophobicContact CD2-CG2 4.19Å; F62-I85 WeakPolarHBondContact CD2-O 3.29Å; F62-P87 HydrophobicContact CE2-CG 4.28Å; F62-P87 HydrophobicContact CZ-CG 4.09Å; F62-T269 HydrophobicContact CE1-CG2 3.77Å; F62-T269 HydrophobicContact CZ-CG2 3.5Å; F62-A272 HydrophobicContact CD2-CB 3.9Å; F62-A272 HydrophobicContact CE2-CB 3.5Å; F62-A272 HydrophobicContact CZ-CB 4.47Å; F62-I276 HydrophobicContact CB-CD1 4.48Å
63G92.6Very high90Very high15 Ų1547.5 Ų47.516%0.15523%0.233CC..  trans-176.3175.4177.800000115.2I85 T86G63-I85 PolarHBondContact N-O 3.3Å; G63-T86 WeakPolarHBondContact O-CA 3.49Å; G63-T86 WeakPolarHBondContact O-CB 3.47Å; G63-T86 PolarHBondContact O-OG1 3.36Å
64F91.1Very high90Very high50 Ų5047.8 Ų47.822%0.21924%0.236CC..  trans-98.8143.1172.5-61.5-97.2000108.9E7 P87E7-F64 HydrophobicContact CB-CE2 4.23Å; E7-F64 HydrophobicContact CB-CZ 3.85Å; E7-F64 HydrophobicContact CG-CE1 4.47Å; E7-F64 HydrophobicContact CG-CZ 3.81Å; F64-P87 HydrophobicContact CD1-CG 3.84Å; F64-P87 HydrophobicContact CE1-CB 4.37Å; F64-P87 HydrophobicContact CE1-CG 3.3Å; F64-P87 HydrophobicContact CE2-CG 4.29Å; F64-P87 HydrophobicContact CZ-CG 3.52Å
65Y89.9Confident90.1Very high8 Ų851.6 Ų51.63%0.03126%0.263CS..  trans-117.6158162.258.3-108.2000111M70 F84 T86 S88 F89 I91Y65-M70 HydrophobicContact CD2-CB 3.82Å; Y65-M70 HydrophobicContact CD2-CG 3.96Å; Y65-M70 HydrophobicContact CE2-CB 4.21Å; Y65-M70 HydrophobicContact CE2-CG 3.85Å; Y65-M70 HydrophobicContact CE2-SD 4.31Å; Y65-M70 HydrophobicContact CG-CB 4.34Å; Y65-F84 AromaticContact CD1-CE1 3.65Å; Y65-F84 HydrophobicContact CD1-CE1 3.65Å; Y65-F84 HydrophobicContact CD1-CZ 4.24Å; Y65-F84 HydrophobicContact CE1-CE1 4.06Å; Y65-T86 HydrophobicContact CD1-CG2 4.2Å; Y65-T86 HydrophobicContact CE1-CG2 3.39Å; Y65-S88 PolarHBondContact N-OG 3.37Å; Y65-S88 VanDerWaalsContact N-OG 3.11Å; Y65-S88 PolarHBondContact O-OG 2.72Å; Y65-F89 HydrophobicContact CD2-CE1 4.08Å; Y65-F89 AromaticContact CD2-CZ 3.98Å; Y65-F89 HydrophobicContact CD2-CZ 3.98Å; Y65-F89 HydrophobicContact CE2-CD1 4.4Å; Y65-F89 HydrophobicContact CE2-CD2 4.39Å; Y65-F89 AromaticContact CE2-CE1 3.95Å; Y65-F89 HydrophobicContact CE2-CE1 3.95Å; Y65-F89 AromaticContact CE2-CE2 3.94Å; Y65-F89 HydrophobicContact CE2-CE2 3.94Å; Y65-F89 AromaticContact CE2-CZ 3.69Å; Y65-F89 HydrophobicContact CE2-CZ 3.69Å; Y65-F89 PolarHBondContact OH-O 2.95Å; Y65-I91 HydrophobicContact CE1-CD1 4.37Å; Y65-I91 HydrophobicContact CE2-CD1 4.47Å; Y65-I91 HydrophobicContact CE2-CG1 4.47Å; Y65-I91 WeakPolarHBondContact OH-CD1 3.42Å; Y65-I91 VanDerWaalsContact OH-CG1 3.22Å; Y65-I91 WeakPolarHBondContact OH-CG1 3.26Å
66D88.1Confident90.3Very high35 Ų3550.9 Ų50.919%0.18725%0.253CS..  trans-102.4165.4166.9-17423.9000109.1K68 S69 M70D66-K68 PolarHBondContact O-N 2.96Å; D66-K68 VanDerWaalsContact O-N 3.14Å; D66-S69 PolarHBondContact N-OG 3.15Å; D66-S69 VanDerWaalsContact N-OG 3.1Å; D66-S69 PolarHBondContact O-N 3.25Å; D66-S69 VanDerWaalsContact O-N 3.1Å; D66-S69 PolarHBondContact O-OG 3.26Å; D66-M70 WeakPolarHBondContact O-CB 3.24Å; D66-M70 PolarHBondContact O-N 2.96Å
67R85.4Confident90.5Very high96 Ų9643.7 Ų43.736%0.36223%0.226SC..Hα-helixtrans-53.7-35.4177.5-179-178.4171.3157.44.9113F89 T127 F131R67-F89 HydrophobicContact CB-CZ 4.08Å; R67-T127 PolarHBondContact NH1-O 3.46Å; R67-F131 VanDerWaalsContact CZ-CE2 3.48Å; R67-F131 VanDerWaalsContact NH2-CD2 3.32Å
68K86.9Confident90.7Very high146 Ų14644.4 Ų44.464%0.63523%0.233SC*.Hα-helixtrans-71-37.2179.7-63.6-179.2-176.1174.60112.8S43 D66S43-K68 PolarHBondContact OG-O 3.38Å; D66-K68 PolarHBondContact O-N 2.96Å; D66-K68 VanDerWaalsContact O-N 3.14Å
69S89.9Confident90.7Very high0 Ų045.4 Ų45.40%025%0.245CC..Hα-helixtrans-94-12.8-17649.10000114.2S40 D66 N71 T72 L73S40-S69 VanDerWaalsContact O-CB 3.25Å; S40-S69 WeakPolarHBondContact O-CB 3.38Å; S40-S69 PolarHBondContact O-OG 2.87Å; D66-S69 PolarHBondContact N-OG 3.15Å; D66-S69 VanDerWaalsContact N-OG 3.1Å; D66-S69 PolarHBondContact O-N 3.25Å; D66-S69 VanDerWaalsContact O-N 3.1Å; D66-S69 PolarHBondContact O-OG 3.26Å; S69-N71 PolarHBondContact O-N 2.98Å; S69-T72 WeakPolarHBondContact O-CB 3.46Å; S69-T72 PolarHBondContact O-N 3.27Å; S69-L73 PolarHBondContact O-N 3.16Å; S69-L73 VanDerWaalsContact O-N 3.07Å
70M89.4Confident90.7Very high30 Ų3041.1 Ų41.115%0.14823%0.229CC..Hα-helixtrans-53.2-49.2179.2-177.1-167.17800113.1Y65 D66 T72 L73 T74 F89 I91Y65-M70 HydrophobicContact CD2-CB 3.82Å; Y65-M70 HydrophobicContact CD2-CG 3.96Å; Y65-M70 HydrophobicContact CE2-CB 4.21Å; Y65-M70 HydrophobicContact CE2-CG 3.85Å; Y65-M70 HydrophobicContact CE2-SD 4.31Å; Y65-M70 HydrophobicContact CG-CB 4.34Å; D66-M70 WeakPolarHBondContact O-CB 3.24Å; D66-M70 PolarHBondContact O-N 2.96Å; M70-T72 VanDerWaalsContact C-N 3.3Å; M70-T72 PolarHBondContact O-N 3.32Å; M70-L73 PolarHBondContact O-N 3.35Å; M70-T74 WeakPolarHBondContact O-CB 3.32Å; M70-T74 WeakPolarHBondContact O-CG2 3.49Å; M70-T74 PolarHBondContact O-N 3.3Å; M70-T74 PolarHBondContact O-OG1 2.89Å; M70-F89 HydrophobicContact SD-CE2 3.95Å; M70-F89 HydrophobicContact SD-CZ 4.27Å; M70-I91 HydrophobicContact CE-CG2 4.46Å; M70-I91 HydrophobicContact CG-CD1 3.48Å; M70-I91 VanDerWaalsContact CG-CD1 3.48Å; M70-I91 HydrophobicContact CG-CG1 4.14Å; M70-I91 HydrophobicContact SD-CB 4.5Å; M70-I91 HydrophobicContact SD-CD1 3.65Å; M70-I91 HydrophobicContact SD-CG1 3.66Å; M70-I91 HydrophobicContact SD-CG2 4.15Å
71N89.8Confident90.7Very high108 Ų10842.1 Ų42.158%0.57823%0.229SC*.Hα-helixtrans-64.5-36.5-178.8-70.6-12.9000111.9S69 T74 S75S69-N71 PolarHBondContact O-N 2.98Å; N71-T74 WeakPolarHBondContact CA-OG1 3.42Å; N71-T74 PolarHBondContact O-OG1 3.05Å; N71-S75 VanDerWaalsContact O-CB 3.26Å; N71-S75 WeakPolarHBondContact O-CB 3.34Å; N71-S75 PolarHBondContact O-N 3.42Å; N71-S75 VanDerWaalsContact O-N 3.08Å
72T91.8Very high90.6Very high33 Ų3341.1 Ų41.120%0.20222%0.224CC..Hα-helixtrans-63.4-52.1176.9-50.90000110.4T47 S69 M70 S75 F76T47-T72 WeakPolarHBondContact OG1-CG2 3.47Å; S69-T72 WeakPolarHBondContact O-CB 3.46Å; S69-T72 PolarHBondContact O-N 3.27Å; M70-T72 VanDerWaalsContact C-N 3.3Å; M70-T72 PolarHBondContact O-N 3.32Å; T72-S75 PolarHBondContact O-N 3.46Å; T72-F76 HydrophobicContact CG2-CD2 3.83Å; T72-F76 HydrophobicContact CG2-CE2 3.75Å; T72-F76 VanDerWaalsContact O-CD2 3.23Å; T72-F76 WeakPolarHBondContact O-CD2 3.24Å; T72-F76 PolarHBondContact O-N 3.49Å
73L91.1Very high90.5Very high10 Ų1038.8 Ų38.85%0.05221%0.214CC..Hα-helixtrans-64.7-45.2-178.6-76.2166.4000112.4V46 F50 S69 M70 S75 F76 C77 F84V46-L73 HydrophobicContact CG1-CD1 3.85Å; V46-L73 HydrophobicContact CG1-CD2 3.71Å; V46-L73 HydrophobicContact CG1-CG 3.66Å; F50-L73 HydrophobicContact CD2-CD2 3.87Å; S69-L73 PolarHBondContact O-N 3.16Å; S69-L73 VanDerWaalsContact O-N 3.07Å; M70-L73 PolarHBondContact O-N 3.35Å; L73-S75 VanDerWaalsContact C-N 3.31Å; L73-S75 PolarHBondContact O-N 3.38Å; L73-F76 PolarHBondContact O-N 3.12Å; L73-C77 WeakPolarHBondContact O-CB 3.44Å; L73-C77 PolarHBondContact O-N 3.45Å; L73-C77 PolarHBondContact O-SG 3.04Å; L73-F84 HydrophobicContact CD1-CE1 4.46Å; L73-F84 HydrophobicContact CD1-CE2 4.29Å; L73-F84 HydrophobicContact CD1-CZ 3.96Å; L73-F84 HydrophobicContact CD2-CE2 4.38Å
74T91.7Very high90.7Very high23 Ų2338.4 Ų38.414%0.14121%0.208CC..Hα-helixtrans-60.2-40.9177.848.80000112M70 N71 G78 I91 V95 V98M70-T74 WeakPolarHBondContact O-CB 3.32Å; M70-T74 WeakPolarHBondContact O-CG2 3.49Å; M70-T74 PolarHBondContact O-N 3.3Å; M70-T74 PolarHBondContact O-OG1 2.89Å; N71-T74 WeakPolarHBondContact CA-OG1 3.42Å; N71-T74 PolarHBondContact O-OG1 3.05Å; T74-G78 PolarHBondContact O-N 2.84Å; T74-G78 VanDerWaalsContact O-N 3.09Å; T74-I91 HydrophobicContact CG2-CD1 3.75Å; T74-V95 HydrophobicContact CG2-CB 4.41Å; T74-V95 HydrophobicContact CG2-CG1 3.98Å; T74-V95 HydrophobicContact CG2-CG2 4.33Å; T74-V98 HydrophobicContact CG2-CG2 4.22Å
75S91.4Very high90.9Very high83 Ų8336 Ų3658%0.5820%0.197SC*.Hα-helixtrans-64-47.3176.3-1780000112.5N71 T72 L73 A79N71-S75 VanDerWaalsContact O-CB 3.26Å; N71-S75 WeakPolarHBondContact O-CB 3.34Å; N71-S75 PolarHBondContact O-N 3.42Å; N71-S75 VanDerWaalsContact O-N 3.08Å; T72-S75 PolarHBondContact O-N 3.46Å; L73-S75 VanDerWaalsContact C-N 3.31Å; L73-S75 PolarHBondContact O-N 3.38Å; S75-A79 WeakPolarHBondContact O-CB 3.39Å; S75-A79 PolarHBondContact O-N 3.38Å
76F91.4Very high91.1Very high39 Ų3935.6 Ų35.617%0.17120%0.196CC..Hα-helixtrans-67-40.8178.7-85-70.1000113.2T47 F50 T72 L73 G78 A79 L80T47-F76 HydrophobicContact CG2-CE2 3.71Å; T47-F76 HydrophobicContact CG2-CZ 3.71Å; F50-F76 HydrophobicContact CD1-CB 3.96Å; F50-F76 HydrophobicContact CD1-CD1 4.19Å; F50-F76 HydrophobicContact CD1-CG 4.04Å; F50-F76 HydrophobicContact CE1-CB 3.53Å; F50-F76 HydrophobicContact CE1-CD1 4.02Å; F50-F76 AromaticContact CE1-CG 3.96Å; F50-F76 HydrophobicContact CE1-CG 3.96Å; F50-F76 HydrophobicContact CE2-CB 4.28Å; F50-F76 HydrophobicContact CZ-CB 3.71Å; T72-F76 HydrophobicContact CG2-CD2 3.83Å; T72-F76 HydrophobicContact CG2-CE2 3.75Å; T72-F76 VanDerWaalsContact O-CD2 3.23Å; T72-F76 WeakPolarHBondContact O-CD2 3.24Å; T72-F76 PolarHBondContact O-N 3.49Å; L73-F76 PolarHBondContact O-N 3.12Å; F76-G78 VanDerWaalsContact C-N 3.34Å; F76-G78 PolarHBondContact O-N 3.16Å; F76-A79 PolarHBondContact O-N 2.86Å; F76-L80 WeakPolarHBondContact O-CB 3.26Å; F76-L80 PolarHBondContact O-N 3.12Å
77C91.9Very high91.4Very high0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-64-41.8178.8-640000111.1L73 H81 T82 F84 F97 V98L73-C77 WeakPolarHBondContact O-CB 3.44Å; L73-C77 PolarHBondContact O-N 3.45Å; L73-C77 PolarHBondContact O-SG 3.04Å; C77-H81 WeakPolarHBondContact O-CA 3.33Å; C77-H81 PolarHBondContact O-N 3.29Å; C77-H81 VanDerWaalsContact O-N 3.08Å; C77-T82 WeakPolarHBondContact CB-O 3.41Å; C77-T82 PolarHBondContact O-N 3.38Å; C77-F84 WeakPolarHBondContact SG-CB 3.46Å; C77-F97 HydrophobicContact CB-CB 4.09Å; C77-V98 HydrophobicContact CB-CG2 4.44Å
78G90.7Very high91.6Very high32 Ų3229.4 Ų29.433%0.3317%0.17SC..Hα-helixtrans-65.4-40.6174.400000113.4T74 F76 H81T74-G78 PolarHBondContact O-N 2.84Å; T74-G78 VanDerWaalsContact O-N 3.09Å; F76-G78 VanDerWaalsContact C-N 3.34Å; F76-G78 PolarHBondContact O-N 3.16Å; G78-H81 PolarHBondContact O-CD2 3.15Å
79A90.5Very high91.6Very high56 Ų5623.7 Ų23.746%0.46315%0.145SC..Hα-helixtrans-73.6-39.7-178.600000113.5S75 F76S75-A79 WeakPolarHBondContact O-CB 3.39Å; S75-A79 PolarHBondContact O-N 3.38Å; F76-A79 PolarHBondContact O-N 2.86Å
80L90.6Very high91.6Very high4 Ų425.3 Ų25.32%0.02116%0.156CC..Hα-helixtrans-98.10.6-174.7-58.7-173.3000114F50 F54 F76 T82 C299 A304 W307F50-L80 HydrophobicContact CE1-CD1 3.73Å; F50-L80 HydrophobicContact CZ-CD1 4.4Å; F54-L80 HydrophobicContact CD1-CD1 4.07Å; F54-L80 HydrophobicContact CD2-CB 4.32Å; F54-L80 HydrophobicContact CD2-CD1 3.68Å; F54-L80 HydrophobicContact CE1-CD1 4.08Å; F54-L80 HydrophobicContact CE2-CB 3.81Å; F54-L80 HydrophobicContact CE2-CD1 3.7Å; F54-L80 HydrophobicContact CE2-CG 4.25Å; F54-L80 HydrophobicContact CG-CD1 3.87Å; F54-L80 HydrophobicContact CZ-CB 4.33Å; F54-L80 HydrophobicContact CZ-CD1 3.89Å; F54-L80 HydrophobicContact CZ-CD2 4.28Å; F54-L80 HydrophobicContact CZ-CG 4.41Å; F76-L80 WeakPolarHBondContact O-CB 3.26Å; F76-L80 PolarHBondContact O-N 3.12Å; L80-T82 VanDerWaalsContact C-N 3.27Å; L80-T82 PolarHBondContact O-N 3.4Å; L80-C299 HydrophobicContact CD1-CB 4.11Å; L80-A304 HydrophobicContact CD2-CB 3.55Å; L80-W307 PolarHBondContact O-N 3.38Å
81H91.6Very high91.4Very high46 Ų4624.6 Ų24.621%0.21315%0.152CC..THydrogen-bonded Turntrans5244.2-174.4-62.7175.9000112.6C77 G78 F97 P306 G310C77-H81 WeakPolarHBondContact O-CA 3.33Å; C77-H81 PolarHBondContact O-N 3.29Å; C77-H81 VanDerWaalsContact O-N 3.08Å; G78-H81 PolarHBondContact O-CD2 3.15Å; H81-F97 HydrophobicContact CB-CD1 4.29Å; H81-F97 HydrophobicContact CB-CE1 3.58Å; H81-F97 HydrophobicContact CB-CE2 4.2Å; H81-F97 HydrophobicContact CB-CZ 3.53Å; H81-F97 AromaticContact CD2-CE2 3.3Å; H81-F97 WeakPolarHBondContact CD2-CE2 3.45Å; H81-F97 AromaticContact CD2-CZ 3.32Å; H81-F97 WeakPolarHBondContact CD2-CZ 3.26Å; H81-F97 AromaticContact CG-CE1 3.99Å; H81-F97 AromaticContact CG-CE2 3.86Å; H81-F97 AromaticContact CG-CZ 3.38Å; H81-F97 AromaticContact NE2-CE2 3.98Å; H81-P306 HydrophobicContact CB-CB 4.24Å; H81-P306 WeakPolarHBondContact ND1-CB 3.44Å; H81-G310 WeakPolarHBondContact O-CA 3.33Å
82T91.3Very high90.7Very high1 Ų122.9 Ų22.91%0.00614%0.143CC..  trans-106.2117.6179.1-590000109.4I61 C77 L80 F84I61-T82 HydrophobicContact CD1-CG2 3.79Å; I61-T82 HydrophobicContact CG1-CG2 4.08Å; C77-T82 WeakPolarHBondContact CB-O 3.41Å; C77-T82 PolarHBondContact O-N 3.38Å; L80-T82 VanDerWaalsContact C-N 3.27Å; L80-T82 PolarHBondContact O-N 3.4Å; T82-F84 PolarHBondContact O-N 3Å
83S94.3Very high90.2Very high0 Ų024.1 Ų24.10%016%0.157CC..  trans-68.8123.9-178.8-61.60000111.7I61 F97I61-S83 PolarHBondContact N-O 3.38Å; S83-F97 WeakPolarHBondContact CA-O 3.23Å
84F95.2Very high90Very high6 Ų628.4 Ų28.43%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-114.2124.2178.7-178.9-96.7000111.2I61 Y65 L73 C77 T82 T86 F97 V98 I99I61-F84 HydrophobicContact CB-CD2 3.95Å; I61-F84 HydrophobicContact CG2-CD2 3.64Å; I61-F84 HydrophobicContact CG2-CE2 3.87Å; I61-F84 CarbonylContact O-C 3.33Å; I61-F84 VanDerWaalsContact O-CA 3.27Å; I61-F84 WeakPolarHBondContact O-CA 3.16Å; Y65-F84 AromaticContact CD1-CE1 3.65Å; Y65-F84 HydrophobicContact CD1-CE1 3.65Å; Y65-F84 HydrophobicContact CD1-CZ 4.24Å; Y65-F84 HydrophobicContact CE1-CE1 4.06Å; L73-F84 HydrophobicContact CD1-CE1 4.46Å; L73-F84 HydrophobicContact CD1-CE2 4.29Å; L73-F84 HydrophobicContact CD1-CZ 3.96Å; L73-F84 HydrophobicContact CD2-CE2 4.38Å; C77-F84 WeakPolarHBondContact SG-CB 3.46Å; T82-F84 PolarHBondContact O-N 3Å; F84-T86 HydrophobicContact CD1-CG2 4.38Å; F84-T86 HydrophobicContact CE1-CG2 3.99Å; F84-F97 PolarHBondContact N-O 3.17Å; F84-V98 HydrophobicContact CD1-CG1 4.38Å; F84-V98 CarbonylContact O-C 3.58Å; F84-V98 WeakPolarHBondContact O-CA 3.21Å; F84-I99 PolarHBondContact O-N 3.19Å
85I96.1Very high89.9Confident0 Ų028.8 Ų28.80%018%0.182CC..EExtended strand (participates in β ladder)trans-112131.9-177.4-55.689000109.2A60 I61 F62 G63 I99 M101 A272 I276 L317A60-I85 HydrophobicContact CB-CD1 3.91Å; I61-I85 PolarHBondContact O-N 2.88Å; F62-I85 WeakPolarHBondContact CA-O 3.31Å; F62-I85 HydrophobicContact CD2-CB 4.24Å; F62-I85 HydrophobicContact CD2-CG2 4.19Å; F62-I85 WeakPolarHBondContact CD2-O 3.29Å; G63-I85 PolarHBondContact N-O 3.3Å; I85-I99 WeakPolarHBondContact CA-O 3.42Å; I85-I99 HydrophobicContact CB-CB 4.49Å; I85-I99 HydrophobicContact CG1-CB 4.06Å; I85-I99 HydrophobicContact CG1-CG1 4.32Å; I85-I99 HydrophobicContact CG2-CB 4.39Å; I85-M101 HydrophobicContact CG2-CG 4.06Å; I85-M101 HydrophobicContact CG2-SD 4.19Å; I85-A272 HydrophobicContact CG2-CB 3.97Å; I85-I276 HydrophobicContact CB-CD1 4.38Å; I85-I276 HydrophobicContact CD1-CD1 3.92Å; I85-I276 HydrophobicContact CD1-CG1 4.07Å; I85-I276 HydrophobicContact CG1-CD1 4.18Å; I85-I276 HydrophobicContact CG1-CG1 4.2Å; I85-L317 HydrophobicContact CD1-CD1 4.17Å; I85-L317 HydrophobicContact CG1-CD1 4.42Å
86T94.4Very high89.8Confident0 Ų030.4 Ų30.40%018%0.18CC..EExtended strand (participates in β ladder)trans-145.2138.8-172.8-169.70000115.4G63 Y65 F84 S88 V98 I99 Q100 M101G63-T86 WeakPolarHBondContact O-CA 3.49Å; G63-T86 WeakPolarHBondContact O-CB 3.47Å; G63-T86 PolarHBondContact O-OG1 3.36Å; Y65-T86 HydrophobicContact CD1-CG2 4.2Å; Y65-T86 HydrophobicContact CE1-CG2 3.39Å; F84-T86 HydrophobicContact CD1-CG2 4.38Å; F84-T86 HydrophobicContact CE1-CG2 3.99Å; T86-S88 WeakPolarHBondContact OG1-CB 3.39Å; T86-S88 PolarHBondContact OG1-N 3.44Å; T86-V98 HydrophobicContact CG2-CG1 4.4Å; T86-I99 PolarHBondContact N-O 3.27Å; T86-Q100 HydrophobicContact CG2-CG 4.44Å; T86-M101 PolarHBondContact O-N 3.26Å
87P93Very high89.9Confident0 Ų028.7 Ų28.70%017%0.173CC..  trans-94.49.6169.339.4-36.8000113.3F62 F64 M101 R102 L268F62-P87 HydrophobicContact CE2-CG 4.28Å; F62-P87 HydrophobicContact CZ-CG 4.09Å; F64-P87 HydrophobicContact CD1-CG 3.84Å; F64-P87 HydrophobicContact CE1-CB 4.37Å; F64-P87 HydrophobicContact CE1-CG 3.3Å; F64-P87 HydrophobicContact CE2-CG 4.29Å; F64-P87 HydrophobicContact CZ-CG 3.52Å; P87-M101 HydrophobicContact CB-CB 4.46Å; P87-R102 PolarHBondContact O-NE 2.98Å; P87-R102 VanDerWaalsContact O-NE 3.13Å; P87-R102 PolarHBondContact O-NH2 3.44Å; P87-L268 HydrophobicContact CB-CB 3.7Å; P87-L268 HydrophobicContact CB-CD1 4.29Å
88S90Very high90Very high1 Ų128.8 Ų28.81%0.00717%0.173CC..SBendtrans-64.5177.9174.6-78.80000112.7Y65 T86 R102Y65-S88 PolarHBondContact N-OG 3.37Å; Y65-S88 VanDerWaalsContact N-OG 3.11Å; Y65-S88 PolarHBondContact O-OG 2.72Å; T86-S88 WeakPolarHBondContact OG1-CB 3.39Å; T86-S88 PolarHBondContact OG1-N 3.44Å; S88-R102 WeakPolarHBondContact O-CB 3.4Å; S88-R102 PolarHBondContact O-NE 3Å
89F88Confident90.2Very high25 Ų2527.2 Ų27.211%0.1116%0.158CC..  trans-61.1147.2177.461.3-92.2000111.1Y65 R67 M70Y65-F89 HydrophobicContact CD2-CE1 4.08Å; Y65-F89 AromaticContact CD2-CZ 3.98Å; Y65-F89 HydrophobicContact CD2-CZ 3.98Å; Y65-F89 HydrophobicContact CE2-CD1 4.4Å; Y65-F89 HydrophobicContact CE2-CD2 4.39Å; Y65-F89 AromaticContact CE2-CE1 3.95Å; Y65-F89 HydrophobicContact CE2-CE1 3.95Å; Y65-F89 AromaticContact CE2-CE2 3.94Å; Y65-F89 HydrophobicContact CE2-CE2 3.94Å; Y65-F89 AromaticContact CE2-CZ 3.69Å; Y65-F89 HydrophobicContact CE2-CZ 3.69Å; Y65-F89 PolarHBondContact OH-O 2.95Å; R67-F89 HydrophobicContact CB-CZ 4.08Å; M70-F89 HydrophobicContact SD-CE2 3.95Å; M70-F89 HydrophobicContact SD-CZ 4.27Å
90P89Confident90.4Very high35 Ų3524.7 Ų24.723%0.22714%0.136CC..  trans-72.5151.9-175.829.1-35.2000113Q100P90-Q100 VanDerWaalsContact CB-OE1 3.32Å
91I84.8Confident90.6Very high14 Ų1424.5 Ų24.57%0.07214%0.135CC..  trans-105.9127.8175-44.5176.8000108.1Y65 M70 T74 A93 V95 Q100Y65-I91 HydrophobicContact CE1-CD1 4.37Å; Y65-I91 HydrophobicContact CE2-CD1 4.47Å; Y65-I91 HydrophobicContact CE2-CG1 4.47Å; Y65-I91 WeakPolarHBondContact OH-CD1 3.42Å; Y65-I91 VanDerWaalsContact OH-CG1 3.22Å; Y65-I91 WeakPolarHBondContact OH-CG1 3.26Å; M70-I91 HydrophobicContact CE-CG2 4.46Å; M70-I91 HydrophobicContact CG-CD1 3.48Å; M70-I91 VanDerWaalsContact CG-CD1 3.48Å; M70-I91 HydrophobicContact CG-CG1 4.14Å; M70-I91 HydrophobicContact SD-CB 4.5Å; M70-I91 HydrophobicContact SD-CD1 3.65Å; M70-I91 HydrophobicContact SD-CG1 3.66Å; M70-I91 HydrophobicContact SD-CG2 4.15Å; T74-I91 HydrophobicContact CG2-CD1 3.75Å; I91-A93 HydrophobicContact CG2-CB 3.97Å; I91-V95 HydrophobicContact CD1-CG2 4.39Å; I91-Q100 PolarHBondContact O-NE2 3.15Å
92D75.3Confident90.6Very high72 Ų7222.8 Ų22.839%0.38513%0.127SC..  trans-78.9-20.2177.8-73.9-50.3000113.1K106 A132 R336D92-K106 IonicContact OD1-NZ 2.63Å; D92-K106 PolarHBondContact OD1-NZ 3.29Å; D92-A132 WeakPolarHBondContact OD2-CB 3.36Å; D92-R336 PolarHBondContact O-NH1 3.05Å
93A82.3Confident90.6Very high59 Ų5922.8 Ų22.849%0.48813%0.127SC..SBendtrans-67.1144.2176.200000112.1I91 V95I91-A93 HydrophobicContact CG2-CB 3.97Å; A93-V95 VanDerWaalsContact C-N 3.31Å; A93-V95 WeakPolarHBondContact O-CG2 3.35Å; A93-V95 PolarHBondContact O-N 3.04Å
94D87.1Confident90.4Very high101 Ų10124 Ų2454%0.5414%0.135SC..  trans-78.279179.4-68.4-20.9000110.6F334 R336D94-F334 HydrophobicContact CB-CD1 3.69Å; D94-F334 HydrophobicContact CB-CE1 3.6Å; D94-F334 HydrophobicContact CB-CG 4.28Å; D94-F334 HydrophobicContact CB-CZ 4.09Å; D94-R336 IonicContact OD1-CZ 2.78Å; D94-R336 IonicContact OD1-NH1 2.64Å; D94-R336 PolarHBondContact OD1-NH1 3.38Å; D94-R336 IonicContact OD1-NH2 3.1Å
95V88.8Confident90.2Very high30 Ų3024.1 Ų24.118%0.18214%0.136CC..  trans-95.6139.5177-86.80000111.8T74 I91 A93 V98T74-V95 HydrophobicContact CG2-CB 4.41Å; T74-V95 HydrophobicContact CG2-CG1 3.98Å; T74-V95 HydrophobicContact CG2-CG2 4.33Å; I91-V95 HydrophobicContact CD1-CG2 4.39Å; A93-V95 VanDerWaalsContact C-N 3.31Å; A93-V95 WeakPolarHBondContact O-CG2 3.35Å; A93-V95 PolarHBondContact O-N 3.04Å; V95-V98 HydrophobicContact CG2-CB 4.49Å
96Q89.2Confident90Very high117 Ų11728 Ų2855%0.54715%0.153SC..SBendtrans-94.6161.9173.7-64.7-176.4-15.100111V98Q96-V98 PolarHBondContact O-N 2.98Å
97F93Very high89.8Confident4 Ų428.9 Ų28.92%0.01816%0.163CC..SBendtrans61.417.3-178.2-57.9-84.4000115.2C77 H81 S83 F84 I311 E314C77-F97 HydrophobicContact CB-CB 4.09Å; H81-F97 HydrophobicContact CB-CD1 4.29Å; H81-F97 HydrophobicContact CB-CE1 3.58Å; H81-F97 HydrophobicContact CB-CE2 4.2Å; H81-F97 HydrophobicContact CB-CZ 3.53Å; H81-F97 AromaticContact CD2-CE2 3.3Å; H81-F97 WeakPolarHBondContact CD2-CE2 3.45Å; H81-F97 AromaticContact CD2-CZ 3.32Å; H81-F97 WeakPolarHBondContact CD2-CZ 3.26Å; H81-F97 AromaticContact CG-CE1 3.99Å; H81-F97 AromaticContact CG-CE2 3.86Å; H81-F97 AromaticContact CG-CZ 3.38Å; H81-F97 AromaticContact NE2-CE2 3.98Å; S83-F97 WeakPolarHBondContact CA-O 3.23Å; F84-F97 PolarHBondContact N-O 3.17Å; F97-I311 HydrophobicContact CE1-CG1 4.26Å; F97-I311 HydrophobicContact CZ-CG1 3.94Å; F97-E314 WeakPolarHBondContact CA-OE1 3.29Å; F97-E314 HydrophobicContact CD1-CB 4.05Å; F97-E314 HydrophobicContact CD1-CG 4.3Å; F97-E314 WeakPolarHBondContact CD1-OE2 3.43Å; F97-E314 HydrophobicContact CE1-CB 4.2Å; F97-E314 WeakPolarHBondContact CE1-OE2 3.45Å; F97-E314 PolarHBondContact N-OE1 3.01Å
98V94.8Very high89.7Confident1 Ų129 Ų291%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-122.6121.2176.9179.70000110.2T74 C77 F84 T86 V95 Q96 Q100T74-V98 HydrophobicContact CG2-CG2 4.22Å; C77-V98 HydrophobicContact CB-CG2 4.44Å; F84-V98 HydrophobicContact CD1-CG1 4.38Å; F84-V98 CarbonylContact O-C 3.58Å; F84-V98 WeakPolarHBondContact O-CA 3.21Å; T86-V98 HydrophobicContact CG2-CG1 4.4Å; V95-V98 HydrophobicContact CG2-CB 4.49Å; Q96-V98 PolarHBondContact O-N 2.98Å; V98-Q100 HydrophobicContact CG1-CG 4.05Å
99I95.3Very high89.8Confident0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-107.4116.2177.3-51.9-65.8000108.6F84 I85 T86 L317 K318 F331F84-I99 PolarHBondContact O-N 3.19Å; I85-I99 WeakPolarHBondContact CA-O 3.42Å; I85-I99 HydrophobicContact CB-CB 4.49Å; I85-I99 HydrophobicContact CG1-CB 4.06Å; I85-I99 HydrophobicContact CG1-CG1 4.32Å; I85-I99 HydrophobicContact CG2-CB 4.39Å; T86-I99 PolarHBondContact N-O 3.27Å; I99-L317 HydrophobicContact CD1-CB 4.11Å; I99-L317 HydrophobicContact CG1-CB 4.12Å; I99-L317 HydrophobicContact CG1-CD1 4.2Å; I99-K318 HydrophobicContact CD1-CG 3.84Å; I99-F331 HydrophobicContact CG2-CD1 3.87Å; I99-F331 HydrophobicContact CG2-CD2 4.5Å; I99-F331 HydrophobicContact CG2-CE1 3.41Å; I99-F331 VanDerWaalsContact CG2-CE1 3.41Å; I99-F331 HydrophobicContact CG2-CE2 4.1Å; I99-F331 HydrophobicContact CG2-CG 4.4Å; I99-F331 HydrophobicContact CG2-CZ 3.54Å
100Q94.2Very high90.1Very high3 Ų329.5 Ų29.51%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-102.4115.2-174.7-56.1176.72400109.4T86 P90 I91 V98 G335 R337T86-Q100 HydrophobicContact CG2-CG 4.44Å; P90-Q100 VanDerWaalsContact CB-OE1 3.32Å; I91-Q100 PolarHBondContact O-NE2 3.15Å; V98-Q100 HydrophobicContact CG1-CG 4.05Å; Q100-G335 PolarHBondContact N-O 3.4Å; Q100-R337 VanDerWaalsContact O-CG 3.32Å; Q100-R337 WeakPolarHBondContact O-CG 3.5Å
101M94.4Very high90.2Very high0 Ų028.8 Ų28.80%016%0.163CC..  trans-80.3-26.7-178.8-60.5-62.4-59.100112.4I85 T86 P87 L268 D271 A272 V275 I329 F331 R337I85-M101 HydrophobicContact CG2-CG 4.06Å; I85-M101 HydrophobicContact CG2-SD 4.19Å; T86-M101 PolarHBondContact O-N 3.26Å; P87-M101 HydrophobicContact CB-CB 4.46Å; M101-L268 HydrophobicContact CB-CB 4.38Å; M101-L268 HydrophobicContact CB-CD2 4.1Å; M101-L268 VanDerWaalsContact O-CD2 3.27Å; M101-L268 WeakPolarHBondContact O-CD2 3.38Å; M101-D271 HydrophobicContact CE-CB 3.85Å; M101-A272 HydrophobicContact CE-CB 4.25Å; M101-A272 HydrophobicContact CG-CB 3.88Å; M101-A272 HydrophobicContact SD-CB 4.13Å; M101-V275 HydrophobicContact CE-CG2 4.13Å; M101-I329 HydrophobicContact CE-CG2 4.49Å; M101-F331 HydrophobicContact SD-CE1 4.2Å; M101-F331 HydrophobicContact SD-CZ 3.81Å; M101-R337 WeakPolarHBondContact O-CD 3.48Å; M101-R337 WeakPolarHBondContact O-CG 3.26Å
102R92.5Very high90.5Very high9 Ų928.1 Ų28.13%0.03416%0.16CC..SBendtrans-81.2124.1-179.2-167.1-176.5-56.6-164.6-2.9110.4P87 S88 L209 Y264 L268P87-R102 PolarHBondContact O-NE 2.98Å; P87-R102 VanDerWaalsContact O-NE 3.13Å; P87-R102 PolarHBondContact O-NH2 3.44Å; S88-R102 WeakPolarHBondContact O-CB 3.4Å; S88-R102 PolarHBondContact O-NE 3Å; R102-L209 HydrophobicContact CG-CD1 3.8Å; R102-Y264 PolarHBondContact NH1-OH 3.48Å; R102-L268 HydrophobicContact CB-CD1 4.08Å; R102-L268 HydrophobicContact CG-CD1 4.24Å
103P91.8Very high91.3Very high2 Ų224.7 Ų24.71%0.01314%0.141CC..PPolyproline II helixtrans-71.8162.3174.129.1-33.1000112.3L209 I231 R337 Y340P103-L209 HydrophobicContact CG-CD1 4.27Å; P103-I231 HydrophobicContact CG-CD1 3.51Å; P103-R337 HydrophobicContact CB-CB 4.33Å; P103-Y340 HydrophobicContact CB-CD1 3.62Å; P103-Y340 HydrophobicContact CB-CD2 3.47Å; P103-Y340 VanDerWaalsContact CB-CD2 3.47Å; P103-Y340 HydrophobicContact CB-CE1 3.6Å; P103-Y340 HydrophobicContact CB-CE2 3.44Å; P103-Y340 VanDerWaalsContact CB-CE2 3.44Å; P103-Y340 HydrophobicContact CB-CG 3.55Å; P103-Y340 HydrophobicContact CG-CD2 4.07Å; P103-Y340 HydrophobicContact CG-CE2 4.28Å; P103-Y340 HydrophobicContact CG-CG 4.35Å
104S89.9Confident91.7Very high24 Ų2426 Ų2617%0.16814%0.14CC..PPolyproline II helixtrans-77132.6176.8-1650000111.7K106 Y340S104-K106 WeakPolarHBondContact OG-CD 3.14Å; S104-K106 VanDerWaalsContact OG-CG 3.3Å; S104-K106 WeakPolarHBondContact OG-CG 3.34Å; S104-Y340 PolarHBondContact N-OH 2.98Å; S104-Y340 PolarHBondContact O-OH 3.33Å
105L90.8Very high91.8Very high10 Ų1025 Ų255%0.05213%0.132CC..  trans-92.4-8.1178-164.662.1000112.7G107 A108 I109 I133 A207 L209 F229 I342L105-G107 PolarHBondContact O-N 3.07Å; L105-A108 HydrophobicContact CD1-CB 4.05Å; L105-A108 PolarHBondContact O-N 2.9Å; L105-I109 HydrophobicContact CB-CD1 4.33Å; L105-I109 HydrophobicContact CD2-CD1 3.86Å; L105-I109 HydrophobicContact CD2-CG1 4.32Å; L105-I109 HydrophobicContact CG-CD1 3.74Å; L105-I109 HydrophobicContact CG-CG1 3.94Å; L105-I109 WeakPolarHBondContact O-CG1 3.39Å; L105-I109 PolarHBondContact O-N 3.35Å; L105-I109 VanDerWaalsContact O-N 3.08Å; L105-I133 HydrophobicContact CB-CD1 4.48Å; L105-A207 HydrophobicContact CD2-CB 4.03Å; L105-L209 HydrophobicContact CD1-CD2 3.89Å; L105-F229 HydrophobicContact CD1-CB 4.14Å; L105-F229 HydrophobicContact CD1-CD1 4.1Å; L105-F229 HydrophobicContact CD1-CD2 4.08Å; L105-F229 HydrophobicContact CD1-CG 3.85Å; L105-F229 HydrophobicContact CD2-CD2 4.2Å; L105-I342 HydrophobicContact CD1-CD1 3.79Å
106K90.6Very high91.8Very high80 Ų8026 Ų2635%0.34813%0.133SC..Hα-helixtrans-56.9-49.9-172.769.9-167.2174.1-176.90112.7D92 S104 A108 I109 L110D92-K106 IonicContact OD1-NZ 2.63Å; D92-K106 PolarHBondContact OD1-NZ 3.29Å; S104-K106 WeakPolarHBondContact OG-CD 3.14Å; S104-K106 VanDerWaalsContact OG-CG 3.3Å; S104-K106 WeakPolarHBondContact OG-CG 3.34Å; K106-A108 PolarHBondContact O-N 3.41Å; K106-I109 PolarHBondContact O-N 3.09Å; K106-L110 WeakPolarHBondContact O-CG 3.31Å; K106-L110 PolarHBondContact O-N 3.18Å; K106-L110 VanDerWaalsContact O-N 3.17Å
107G90Very high91.7Very high20 Ų2028.7 Ų28.721%0.20614%0.142CC..Hα-helixtrans-67-36.5-178.100000113.2L105 S111 W358L105-G107 PolarHBondContact O-N 3.07Å; G107-S111 WeakPolarHBondContact O-CB 3.48Å; G107-S111 PolarHBondContact O-N 3.05Å; G107-S111 PolarHBondContact O-OG 3.41Å; G107-W358 VanDerWaalsContact C-CE2 3.47Å; G107-W358 VanDerWaalsContact C-CZ2 3.44Å; G107-W358 PolarHBondContact O-NE1 3.38Å
108A91.8Very high91.6Very high2 Ų228.8 Ų28.82%0.01714%0.143CC..Hα-helixtrans-67.1-43.8178.700000111.9L105 K106 S111 L112 F229 I342 W358L105-A108 HydrophobicContact CD1-CB 4.05Å; L105-A108 PolarHBondContact O-N 2.9Å; K106-A108 PolarHBondContact O-N 3.41Å; A108-S111 PolarHBondContact O-N 3.42Å; A108-L112 WeakPolarHBondContact O-CB 3.4Å; A108-L112 PolarHBondContact O-N 2.87Å; A108-F229 HydrophobicContact CB-CD1 4.38Å; A108-F229 HydrophobicContact CB-CE1 4Å; A108-I342 HydrophobicContact CB-CD1 4.35Å; A108-W358 HydrophobicContact CB-CB 4.17Å; A108-W358 HydrophobicContact CB-CD2 3.75Å; A108-W358 HydrophobicContact CB-CE3 4.1Å; A108-W358 HydrophobicContact CB-CG 3.77Å
109I93Very high91.2Very high2 Ų235.4 Ų35.41%0.0117%0.174CC..Hα-helixtrans-63.3-48.2177.4-69.2163.4000110.8L105 K106 S111 L112 L113 I133 I137 L177 A207 F229L105-I109 HydrophobicContact CB-CD1 4.33Å; L105-I109 HydrophobicContact CD2-CD1 3.86Å; L105-I109 HydrophobicContact CD2-CG1 4.32Å; L105-I109 HydrophobicContact CG-CD1 3.74Å; L105-I109 HydrophobicContact CG-CG1 3.94Å; L105-I109 WeakPolarHBondContact O-CG1 3.39Å; L105-I109 PolarHBondContact O-N 3.35Å; L105-I109 VanDerWaalsContact O-N 3.08Å; K106-I109 PolarHBondContact O-N 3.09Å; I109-S111 VanDerWaalsContact C-N 3.35Å; I109-S111 PolarHBondContact O-N 3.12Å; I109-L112 PolarHBondContact O-N 3.28Å; I109-L113 HydrophobicContact CG2-CD1 3.98Å; I109-L113 HydrophobicContact CG2-CG 4.33Å; I109-L113 WeakPolarHBondContact O-CG 3.45Å; I109-L113 PolarHBondContact O-N 3.49Å; I109-I133 HydrophobicContact CD1-CD1 4.29Å; I109-I133 HydrophobicContact CD1-CG2 3.91Å; I109-I137 HydrophobicContact CG2-CD1 4.47Å; I109-L177 HydrophobicContact CG2-CD1 4.28Å; I109-L177 HydrophobicContact CG2-CD2 3.84Å; I109-A207 HydrophobicContact CD1-CB 3.63Å; I109-A207 HydrophobicContact CG1-CB 4.37Å; I109-F229 HydrophobicContact CG1-CE2 3.94Å; I109-F229 HydrophobicContact CG1-CZ 3.96Å
110L92.7Very high90.9Very high34 Ų3440.6 Ų40.618%0.17819%0.193CC..Hα-helixtrans-61.1-44.6-179.6-67.8176.5000111.6K106 L112 L113 D114 A136 I137 S140 W146K106-L110 WeakPolarHBondContact O-CG 3.31Å; K106-L110 PolarHBondContact O-N 3.18Å; K106-L110 VanDerWaalsContact O-N 3.17Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 3.48Å; L110-L113 PolarHBondContact O-N 2.73Å; L110-D114 PolarHBondContact O-N 2.92Å; L110-A136 HydrophobicContact CD1-CB 4.4Å; L110-I137 HydrophobicContact CD2-CG1 4.33Å; L110-S140 WeakPolarHBondContact CD2-OG 3.31Å; L110-W146 HydrophobicContact CD2-CZ3 4.25Å
111S91.7Very high90.9Very high20 Ų2040.4 Ų40.414%0.1419%0.192CC..Hα-helixtrans-63.3-34.2177.4-54.70000112.2G107 A108 I109 H115 W358G107-S111 WeakPolarHBondContact O-CB 3.48Å; G107-S111 PolarHBondContact O-N 3.05Å; G107-S111 PolarHBondContact O-OG 3.41Å; A108-S111 PolarHBondContact O-N 3.42Å; I109-S111 VanDerWaalsContact C-N 3.35Å; I109-S111 PolarHBondContact O-N 3.12Å; S111-H115 WeakPolarHBondContact O-CB 3.23Å; S111-H115 PolarHBondContact O-N 2.99Å; S111-W358 PolarHBondContact OG-NE1 3.23Å
112L91.7Very high90.9Very high1 Ų140.4 Ų40.41%0.00519%0.192CC..Hα-helixtrans-73.3-39.2177.4-168.466.5000112.2A108 I109 L110 D114 H115 Y116 I205 F229 V344 F364A108-L112 WeakPolarHBondContact O-CB 3.4Å; A108-L112 PolarHBondContact O-N 2.87Å; I109-L112 PolarHBondContact O-N 3.28Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 3.48Å; L112-D114 VanDerWaalsContact C-N 3.32Å; L112-H115 PolarHBondContact O-N 3Å; L112-Y116 HydrophobicContact CD1-CD2 4.02Å; L112-Y116 HydrophobicContact CD1-CE2 3.5Å; L112-Y116 HydrophobicContact CD2-CE2 4.17Å; L112-Y116 HydrophobicContact CG-CD2 3.86Å; L112-Y116 HydrophobicContact CG-CE2 3.67Å; L112-Y116 WeakPolarHBondContact O-CD2 3.22Å; L112-Y116 PolarHBondContact O-N 3.31Å; L112-I205 HydrophobicContact CD2-CD1 4.37Å; L112-I205 HydrophobicContact CD2-CG2 3.96Å; L112-F229 HydrophobicContact CB-CZ 4.38Å; L112-F229 HydrophobicContact CD2-CE1 3.95Å; L112-F229 HydrophobicContact CD2-CE2 4.33Å; L112-F229 HydrophobicContact CD2-CZ 3.5Å; L112-V344 HydrophobicContact CD1-CG1 4.12Å; L112-V344 HydrophobicContact CD2-CG1 4.34Å; L112-F364 HydrophobicContact CD1-CE1 4.34Å; L112-F364 HydrophobicContact CD1-CE2 4.45Å; L112-F364 HydrophobicContact CD1-CZ 4.17Å
113L92.4Very high90.9Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-61.8-41.6174-71.2173.1000111.3I109 L110 K117 W118 F121 W146 L177 I205I109-L113 HydrophobicContact CG2-CD1 3.98Å; I109-L113 HydrophobicContact CG2-CG 4.33Å; I109-L113 WeakPolarHBondContact O-CG 3.45Å; I109-L113 PolarHBondContact O-N 3.49Å; L110-L113 PolarHBondContact O-N 2.73Å; L113-K117 PolarHBondContact O-N 3.45Å; L113-W118 HydrophobicContact CD2-CB 4.15Å; L113-W118 HydrophobicContact CD2-CD2 4.11Å; L113-W118 HydrophobicContact CD2-CE3 3.55Å; L113-W118 HydrophobicContact CD2-CG 4.4Å; L113-W118 HydrophobicContact CD2-CZ3 4.29Å; L113-W118 PolarHBondContact O-N 3.17Å; L113-W118 VanDerWaalsContact O-N 3.11Å; L113-F121 HydrophobicContact CD1-CE1 4.44Å; L113-F121 HydrophobicContact CD1-CE2 4.44Å; L113-F121 HydrophobicContact CD1-CZ 3.89Å; L113-F121 HydrophobicContact CD2-CE1 4.26Å; L113-F121 HydrophobicContact CD2-CZ 4.24Å; L113-W146 HydrophobicContact CB-CH2 4.03Å; L113-W146 HydrophobicContact CD1-CH2 4.33Å; L113-W146 HydrophobicContact CD1-CZ3 4.02Å; L113-L177 HydrophobicContact CD1-CD2 4.42Å; L113-I205 HydrophobicContact CD2-CD1 4.07Å
114D89.2Confident90.9Very high86 Ų8640.3 Ų40.346%0.4619%0.192SC..Hα-helixtrans-64.1-44.1174-73.3-20.4000111.6L110 L112 Y116 K117 W146L110-D114 PolarHBondContact O-N 2.92Å; L112-D114 VanDerWaalsContact C-N 3.32Å; D114-Y116 PolarHBondContact O-N 3.25Å; D114-K117 PolarHBondContact O-N 3.3Å; D114-W146 VanDerWaalsContact OD1-CZ2 3.29Å; D114-W146 WeakPolarHBondContact OD1-CZ2 3.33Å
115H89.3Confident90.9Very high79 Ų7941.1 Ų41.137%0.36619%0.192SC..Hα-helixtrans-58.6-45.5177.5178.376.2000112.1S111 L112 K117 F364 Y366S111-H115 WeakPolarHBondContact O-CB 3.23Å; S111-H115 PolarHBondContact O-N 2.99Å; L112-H115 PolarHBondContact O-N 3Å; H115-K117 VanDerWaalsContact C-N 3.27Å; H115-K117 PolarHBondContact O-N 2.95Å; H115-F364 HydrophobicContact CB-CD1 3.93Å; H115-F364 HydrophobicContact CB-CE1 4.13Å; H115-F364 AromaticContact CD2-CE1 3.76Å; H115-F364 AromaticContact CE1-CE1 3.94Å; H115-F364 AromaticContact CG-CD1 3.84Å; H115-F364 AromaticContact CG-CE1 3.61Å; H115-F364 AromaticContact ND1-CD1 3.94Å; H115-F364 AromaticContact ND1-CE1 3.73Å; H115-F364 AromaticContact NE2-CE1 3.97Å; H115-Y366 AromaticContact CE1-CD2 3.93Å; H115-Y366 AromaticContact NE2-CD2 3.9Å
116Y88.8Confident90.7Very high53 Ų5340.7 Ų40.721%0.20819%0.19CC..THydrogen-bonded Turntrans-79.3-5.4176.9-71.8-58.9000114.3L112 D114 W118 H203 I205 T227L112-Y116 HydrophobicContact CD1-CD2 4.02Å; L112-Y116 HydrophobicContact CD1-CE2 3.5Å; L112-Y116 HydrophobicContact CD2-CE2 4.17Å; L112-Y116 HydrophobicContact CG-CD2 3.86Å; L112-Y116 HydrophobicContact CG-CE2 3.67Å; L112-Y116 WeakPolarHBondContact O-CD2 3.22Å; L112-Y116 PolarHBondContact O-N 3.31Å; D114-Y116 PolarHBondContact O-N 3.25Å; Y116-W118 VanDerWaalsContact C-N 3.32Å; Y116-W118 VanDerWaalsContact CB-CD1 3.41Å; Y116-W118 PolarHBondContact O-N 3.06Å; Y116-H203 AromaticContact CE1-CE1 3.98Å; Y116-H203 AromaticContact CE2-CE1 3.95Å; Y116-H203 AromaticContact CZ-CE1 3.92Å; Y116-I205 HydrophobicContact CD2-CD1 4.39Å; Y116-T227 HydrophobicContact CE2-CG2 3.97Å; Y116-T227 WeakPolarHBondContact OH-CG2 3.49Å
117K88.4Confident90.4Very high172 Ų17238.6 Ų38.675%0.74818%0.184SC*.THydrogen-bonded Turntrans52.748.4-176.8-55.9-178.7-179.1-178.70112L113 D114 H115 E119L113-K117 PolarHBondContact O-N 3.45Å; D114-K117 PolarHBondContact O-N 3.3Å; H115-K117 VanDerWaalsContact C-N 3.27Å; H115-K117 PolarHBondContact O-N 2.95Å; K117-E119 PolarHBondContact O-N 2.92Å
118W90.4Very high89.9Confident7 Ų740.4 Ų40.43%0.02719%0.188CC..  trans-79.9110.5179-82.823000111.6L113 Y116 F121 W146 R175 H203 I205L113-W118 HydrophobicContact CD2-CB 4.15Å; L113-W118 HydrophobicContact CD2-CD2 4.11Å; L113-W118 HydrophobicContact CD2-CE3 3.55Å; L113-W118 HydrophobicContact CD2-CG 4.4Å; L113-W118 HydrophobicContact CD2-CZ3 4.29Å; L113-W118 PolarHBondContact O-N 3.17Å; L113-W118 VanDerWaalsContact O-N 3.11Å; Y116-W118 VanDerWaalsContact C-N 3.32Å; Y116-W118 VanDerWaalsContact CB-CD1 3.41Å; Y116-W118 PolarHBondContact O-N 3.06Å; W118-F121 HydrophobicContact CB-CD1 4.1Å; W118-F121 HydrophobicContact CE3-CB 3.66Å; W118-F121 HydrophobicContact CE3-CD1 4.08Å; W118-F121 HydrophobicContact CE3-CD2 4.49Å; W118-F121 AromaticContact CE3-CG 3.85Å; W118-F121 HydrophobicContact CE3-CG 3.85Å; W118-F121 HydrophobicContact CZ3-CB 3.95Å; W118-F121 HydrophobicContact CZ3-CG 4.37Å; W118-W146 PolarHBondContact O-NE1 3.43Å; W118-R175 HydrophobicContact CD2-CB 4.32Å; W118-R175 HydrophobicContact CD2-CG 4.43Å; W118-R175 HydrophobicContact CE3-CB 4.12Å; W118-R175 HydrophobicContact CH2-CB 3.77Å; W118-R175 HydrophobicContact CH2-CG 4.29Å; W118-R175 HydrophobicContact CZ2-CB 4Å; W118-R175 HydrophobicContact CZ2-CG 4Å; W118-R175 HydrophobicContact CZ3-CB 3.85Å; W118-H203 HydrophobicContact CH2-CB 4.48Å; W118-H203 HydrophobicContact CZ2-CB 3.89Å; W118-H203 AromaticContact CZ2-CE1 3.84Å; W118-H203 AromaticContact CZ2-CG 3.57Å; W118-H203 AromaticContact CZ2-ND1 3.42Å; W118-H203 WeakPolarHBondContact CZ2-ND1 3.29Å; W118-H203 AromaticContact NE1-ND1 3.98Å; W118-I205 HydrophobicContact CD2-CD1 4.32Å; W118-I205 HydrophobicContact CE3-CD1 3.99Å; W118-I205 HydrophobicContact CH2-CD1 3.56Å; W118-I205 HydrophobicContact CH2-CG1 3.49Å; W118-I205 VanDerWaalsContact CH2-CG1 3.49Å; W118-I205 HydrophobicContact CZ2-CD1 3.88Å; W118-I205 HydrophobicContact CZ2-CG1 3.99Å; W118-I205 HydrophobicContact CZ3-CD1 3.59Å; W118-I205 HydrophobicContact CZ3-CG1 3.91Å
119E86.5Confident89.2Confident140 Ų14041.9 Ų41.965%0.65419%0.194SC*.  trans-93.4-28.1176-64.1175.2-177.300113.5K117 W146 Q147K117-E119 PolarHBondContact O-N 2.92Å; E119-W146 CarbonylContact O-C 3.56Å; E119-W146 VanDerWaalsContact O-CA 3.26Å; E119-W146 WeakPolarHBondContact O-CA 3.45Å; E119-Q147 PolarHBondContact O-N 3.13Å
120R89.3Confident88.5Confident108 Ų10842.7 Ų42.741%0.40820%0.202SC..EExtended strand (participates in β ladder)trans-137125.4-177.3-178.4174.5175.8148.1-10110.6Q147 E173 R175R120-Q147 WeakPolarHBondContact CA-O 3.23Å; R120-Q147 HydrophobicContact CB-CB 4.14Å; R120-Q147 HydrophobicContact CG-CB 3.96Å; R120-E173 IonicContact CZ-OE1 3.7Å; R120-E173 IonicContact NE-OE1 2.63Å; R120-E173 PolarHBondContact NE-OE1 3.31Å; R120-E173 IonicContact NE-OE2 3.44Å; R120-E173 PolarHBondContact NE-OE2 2.82Å; R120-E173 IonicContact NH2-OE1 3.59Å; R120-E173 PolarHBondContact NH2-OE1 2.57Å; R120-R175 WeakPolarHBondContact O-CD 3.39Å
121F93.3Very high88.1Confident0 Ų045 Ų450%021%0.211CC..EExtended strand (participates in β ladder)trans-162162.4-178.558.8-87.8000112.7L113 W118 I137 W146 Q147 V148 T149 R175 L177L113-F121 HydrophobicContact CD1-CE1 4.44Å; L113-F121 HydrophobicContact CD1-CE2 4.44Å; L113-F121 HydrophobicContact CD1-CZ 3.89Å; L113-F121 HydrophobicContact CD2-CE1 4.26Å; L113-F121 HydrophobicContact CD2-CZ 4.24Å; W118-F121 HydrophobicContact CB-CD1 4.1Å; W118-F121 HydrophobicContact CE3-CB 3.66Å; W118-F121 HydrophobicContact CE3-CD1 4.08Å; W118-F121 HydrophobicContact CE3-CD2 4.49Å; W118-F121 AromaticContact CE3-CG 3.85Å; W118-F121 HydrophobicContact CE3-CG 3.85Å; W118-F121 HydrophobicContact CZ3-CB 3.95Å; W118-F121 HydrophobicContact CZ3-CG 4.37Å; F121-I137 HydrophobicContact CE2-CG2 4.28Å; F121-I137 HydrophobicContact CZ-CG2 4.13Å; F121-W146 HydrophobicContact CE1-CD2 4.35Å; F121-W146 HydrophobicContact CE1-CE3 4.13Å; F121-W146 HydrophobicContact CZ-CE3 4.19Å; F121-Q147 PolarHBondContact N-O 3.23Å; F121-V148 HydrophobicContact CD2-CG1 4.36Å; F121-V148 HydrophobicContact CE1-CG2 3.88Å; F121-V148 HydrophobicContact CE2-CG1 3.87Å; F121-V148 HydrophobicContact CE2-CG2 3.94Å; F121-V148 HydrophobicContact CZ-CG1 4.31Å; F121-V148 HydrophobicContact CZ-CG2 3.52Å; F121-V148 WeakPolarHBondContact O-CA 3.22Å; F121-T149 PolarHBondContact O-N 3.34Å; F121-R175 HydrophobicContact CB-CB 3.85Å; F121-L177 HydrophobicContact CD2-CB 4.4Å; F121-L177 HydrophobicContact CE2-CD2 4.33Å
122V93.9Very high87.9Confident0 Ų045.8 Ų45.80%022%0.219CC..EExtended strand (participates in β ladder)trans-98130.6175.2-179.80000109.1L124 T149 M168 E173 R175 F176 L177V122-L124 HydrophobicContact CG1-CD2 3.91Å; V122-L124 HydrophobicContact CG1-CG 4.32Å; V122-T149 WeakPolarHBondContact CA-O 3.37Å; V122-M168 HydrophobicContact CG1-CG 4.2Å; V122-M168 HydrophobicContact CG1-SD 4.23Å; V122-M168 HydrophobicContact CG2-CB 4.44Å; V122-M168 HydrophobicContact CG2-CG 4.03Å; V122-M168 HydrophobicContact CG2-SD 3.78Å; V122-E173 HydrophobicContact CG2-CB 3.7Å; V122-E173 HydrophobicContact CG2-CG 3.81Å; V122-R175 PolarHBondContact N-O 3.17Å; V122-F176 HydrophobicContact CB-CD1 3.74Å; V122-F176 HydrophobicContact CB-CE1 3.89Å; V122-F176 HydrophobicContact CB-CG 4.46Å; V122-F176 HydrophobicContact CG1-CD1 3.91Å; V122-F176 HydrophobicContact CG1-CE1 3.96Å; V122-F176 HydrophobicContact CG2-CD1 4.39Å; V122-F176 HydrophobicContact CG2-CE1 4.07Å; V122-F176 HydrophobicContact CG2-CZ 4.49Å; V122-F176 WeakPolarHBondContact O-CA 3.35Å; V122-L177 PolarHBondContact O-N 3.44Å
123Y94.3Very high87.8Confident1 Ų147 Ų470%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-109.7111.2176.1178.4-119.2000109.9Y125 I133 L134 I137 T149 A150 R151 L177 D179Y123-Y125 AromaticContact CD1-CD1 3.83Å; Y123-Y125 HydrophobicContact CD1-CD1 3.83Å; Y123-Y125 HydrophobicContact CD1-CG 4.36Å; Y123-Y125 VanDerWaalsContact CE1-CB 3.47Å; Y123-Y125 AromaticContact CE1-CD1 3.81Å; Y123-Y125 HydrophobicContact CE1-CD1 3.81Å; Y123-Y125 AromaticContact CE1-CG 3.89Å; Y123-Y125 HydrophobicContact CE1-CG 3.89Å; Y123-I133 HydrophobicContact CE2-CG2 4.5Å; Y123-L134 HydrophobicContact CD1-CD1 3.59Å; Y123-L134 HydrophobicContact CE1-CB 3.8Å; Y123-L134 HydrophobicContact CE1-CD1 3.48Å; Y123-L134 VanDerWaalsContact CE1-CD1 3.48Å; Y123-L134 HydrophobicContact CE1-CG 4.17Å; Y123-I137 HydrophobicContact CD2-CD1 3.92Å; Y123-I137 HydrophobicContact CE1-CD1 4.38Å; Y123-I137 HydrophobicContact CE2-CD1 3.66Å; Y123-I137 HydrophobicContact CG-CD1 4.38Å; Y123-T149 PolarHBondContact N-O 3.13Å; Y123-A150 HydrophobicContact CD1-CB 4.26Å; Y123-A150 CarbonylContact O-C 3.55Å; Y123-A150 WeakPolarHBondContact O-CA 3.45Å; Y123-R151 PolarHBondContact O-N 3.48Å; Y123-L177 HydrophobicContact CD2-CB 4.05Å; Y123-L177 HydrophobicContact CD2-CD2 3.55Å; Y123-L177 HydrophobicContact CD2-CG 3.67Å; Y123-L177 HydrophobicContact CE2-CD2 3.88Å; Y123-L177 HydrophobicContact CE2-CG 4.04Å; Y123-D179 HydrophobicContact CE2-CB 3.67Å; Y123-D179 PolarHBondContact OH-OD2 3.01Å
124L91.6Very high87.7Confident7 Ų748.2 Ų48.24%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-97.2120.1175.7-61-174.6000108.2V122 R151 V153 I164 F176 L177 I178 D179 I188V122-L124 HydrophobicContact CG1-CD2 3.91Å; V122-L124 HydrophobicContact CG1-CG 4.32Å; L124-R151 HydrophobicContact CD2-CB 3.91Å; L124-V153 HydrophobicContact CB-CG2 4.04Å; L124-V153 HydrophobicContact CD2-CG2 4.24Å; L124-I164 HydrophobicContact CD2-CG2 4.2Å; L124-F176 HydrophobicContact CD1-CD1 4.37Å; L124-L177 PolarHBondContact N-O 3.48Å; L124-I178 HydrophobicContact CD1-CG1 4.38Å; L124-D179 PolarHBondContact O-N 3.04Å; L124-I188 HydrophobicContact CD1-CG2 4.49Å
125Y89.9Confident87.8Confident41 Ų4149.6 Ų49.616%0.16124%0.235CC..EExtended strand (participates in β ladder)trans-131.1152.2-175.870.4-88.5000113.3Y123 T127 F131 L134 A150 R151 V153 D179Y123-Y125 AromaticContact CD1-CD1 3.83Å; Y123-Y125 HydrophobicContact CD1-CD1 3.83Å; Y123-Y125 HydrophobicContact CD1-CG 4.36Å; Y123-Y125 VanDerWaalsContact CE1-CB 3.47Å; Y123-Y125 AromaticContact CE1-CD1 3.81Å; Y123-Y125 HydrophobicContact CE1-CD1 3.81Å; Y123-Y125 AromaticContact CE1-CG 3.89Å; Y123-Y125 HydrophobicContact CE1-CG 3.89Å; Y125-T127 HydrophobicContact CE2-CG2 4.36Å; Y125-F131 HydrophobicContact CD2-CD1 4.47Å; Y125-F131 HydrophobicContact CD2-CE1 4.31Å; Y125-F131 HydrophobicContact CE2-CD1 4.24Å; Y125-F131 AromaticContact CE2-CE1 3.8Å; Y125-F131 HydrophobicContact CE2-CE1 3.8Å; Y125-L134 HydrophobicContact CD1-CD1 4.5Å; Y125-L134 HydrophobicContact CD1-CD2 4.44Å; Y125-L134 HydrophobicContact CD2-CD2 4.47Å; Y125-L134 HydrophobicContact CE1-CD2 4.11Å; Y125-L134 HydrophobicContact CE2-CD2 4.18Å; Y125-A150 HydrophobicContact CD1-CB 4.4Å; Y125-A150 HydrophobicContact CE1-CB 4.03Å; Y125-R151 WeakPolarHBondContact CD1-O 3.29Å; Y125-R151 PolarHBondContact N-O 2.94Å; Y125-R151 VanDerWaalsContact N-O 3.13Å; Y125-V153 PolarHBondContact O-N 2.96Å; Y125-D179 WeakPolarHBondContact CA-O 3.28Å
126D86.4Confident87.9Confident2 Ų246.6 Ų46.61%0.01122%0.224CC..  trans-95.8137172.7-159.6-17.7000111.8D128 G154 D179 R184D126-D128 VanDerWaalsContact C-N 3.29Å; D126-D128 PolarHBondContact OD1-N 3.35Å; D126-G154 WeakPolarHBondContact OD1-CA 3.46Å; D126-D179 PolarHBondContact N-O 3.19Å; D126-R184 IonicContact OD1-CZ 2.7Å; D126-R184 IonicContact OD1-NH1 3.72Å; D126-R184 PolarHBondContact OD1-NH1 2.78Å; D126-R184 IonicContact OD1-NH2 2.72Å; D126-R184 WeakPolarHBondContact OD2-CD 3.47Å; D126-R184 IonicContact OD2-CZ 3.32Å; D126-R184 IonicContact OD2-NE 3.47Å; D126-R184 PolarHBondContact OD2-NE 2.91Å; D126-R184 IonicContact OD2-NH1 2.76Å; D126-R184 PolarHBondContact OD2-NH1 2.76Å; D126-R184 IonicContact OD2-NH2 2.78Å
127T83.8Confident88.1Confident36 Ų3644.1 Ų44.122%0.22121%0.214CC..SBendtrans-72.6-25.6177.247.40000112.9R67 Y125 G130 F131 S152R67-T127 PolarHBondContact NH1-O 3.46Å; Y125-T127 HydrophobicContact CE2-CG2 4.36Å; T127-G130 PolarHBondContact O-N 3.1Å; T127-F131 HydrophobicContact CG2-CE1 4.19Å; T127-F131 HydrophobicContact CG2-CZ 4.33Å; T127-S152 WeakPolarHBondContact CG2-OG 3.37Å
128D79.2Confident88.3Confident57 Ų5739.5 Ų39.531%0.30520%0.196SC..THydrogen-bonded Turntrans-73.8-28.8-171.5-59.8-15.5000111.6D126 G130 R184D126-D128 VanDerWaalsContact C-N 3.29Å; D126-D128 PolarHBondContact OD1-N 3.35Å; D128-G130 VanDerWaalsContact C-N 3.34Å; D128-G130 PolarHBondContact O-N 3.46Å; D128-R184 IonicContact OD2-CZ 2.91Å; D128-R184 IonicContact OD2-NH1 3.81Å; D128-R184 IonicContact OD2-NH2 3.89Å; D128-R184 PolarHBondContact OD2-NH2 3.48Å
129R77.4Confident88.4Confident34 Ų3444.6 Ų44.613%0.12822%0.22CC..THydrogen-bonded Turntrans-84.2-4.2-179.9-63.1-176.964.6-171.4-8.3114.4D179 C180 E181 A207R129-D179 IonicContact CZ-OD1 3.96Å; R129-D179 VanDerWaalsContact CZ-OD1 3.28Å; R129-D179 IonicContact NE-OD1 3.6Å; R129-D179 IonicContact NH1-OD1 3.41Å; R129-D179 PolarHBondContact NH1-OD1 3.33Å; R129-D179 IonicContact NH2-OD1 3.39Å; R129-C180 PolarHBondContact NH1-O 3.37Å; R129-E181 HydrophobicContact CG-CG 4.25Å; R129-A207 PolarHBondContact NH1-O 2.72Å; R129-A207 VanDerWaalsContact NH1-O 3.11Å
130G78.1Confident88.6Confident18 Ų1839.1 Ų39.119%0.18620%0.197CC..  trans90179.2-175.800000114T127 D128T127-G130 PolarHBondContact O-N 3.1Å; D128-G130 VanDerWaalsContact C-N 3.34Å; D128-G130 PolarHBondContact O-N 3.46Å
131F85.2Confident88.7Confident82 Ų8234.4 Ų34.436%0.3618%0.182SC..SBendtrans-1137.9-172.9-57.8-50.1000114.3R67 Y125 T127 I133 L134 Q135R67-F131 VanDerWaalsContact CZ-CE2 3.48Å; R67-F131 VanDerWaalsContact NH2-CD2 3.32Å; Y125-F131 HydrophobicContact CD2-CD1 4.47Å; Y125-F131 HydrophobicContact CD2-CE1 4.31Å; Y125-F131 HydrophobicContact CE2-CD1 4.24Å; Y125-F131 AromaticContact CE2-CE1 3.8Å; Y125-F131 HydrophobicContact CE2-CE1 3.8Å; T127-F131 HydrophobicContact CG2-CE1 4.19Å; T127-F131 HydrophobicContact CG2-CZ 4.33Å; F131-I133 PolarHBondContact O-N 2.97Å; F131-L134 HydrophobicContact CD1-CD2 4.14Å; F131-L134 WeakPolarHBondContact O-CB 3.44Å; F131-L134 PolarHBondContact O-N 2.88Å; F131-Q135 WeakPolarHBondContact O-CB 3.45Å; F131-Q135 PolarHBondContact O-N 2.85Å
132A86.4Confident88.6Confident37 Ų3740.1 Ų40.131%0.30622%0.216SC..Hα-helixtrans-57.5-45.5-176.400000112.8D92 Q135 A136D92-A132 WeakPolarHBondContact OD2-CB 3.36Å; A132-Q135 PolarHBondContact O-N 2.98Å; A132-A136 PolarHBondContact O-N 3.2Å; A132-A136 VanDerWaalsContact O-N 3.11Å
133I90.1Very high88.5Confident26 Ų2643.8 Ų43.813%0.13325%0.247CC..Hα-helixtrans-68-43.7178.4-62.5172.7000110.6L105 I109 Y123 F131 Q135 A136 I137 D179L105-I133 HydrophobicContact CB-CD1 4.48Å; I109-I133 HydrophobicContact CD1-CD1 4.29Å; I109-I133 HydrophobicContact CD1-CG2 3.91Å; Y123-I133 HydrophobicContact CE2-CG2 4.5Å; F131-I133 PolarHBondContact O-N 2.97Å; I133-Q135 VanDerWaalsContact C-N 3.34Å; I133-Q135 PolarHBondContact O-N 3.14Å; I133-A136 PolarHBondContact O-N 3.3Å; I133-I137 HydrophobicContact CG2-CD1 3.76Å; I133-I137 HydrophobicContact CG2-CG1 4.4Å; I133-I137 VanDerWaalsContact O-CG1 3.32Å; I133-I137 WeakPolarHBondContact O-CG1 3.42Å; I133-I137 PolarHBondContact O-N 3.45Å; I133-D179 WeakPolarHBondContact CD1-OD2 3.05Å
134L91.2Very high88.2Confident26 Ų2647.4 Ų47.414%0.13627%0.266CS..Hα-helixtrans-57.4-46.3176.4176.260.7000111.6Y123 Y125 F131 I137 M138 A150Y123-L134 HydrophobicContact CD1-CD1 3.59Å; Y123-L134 HydrophobicContact CE1-CB 3.8Å; Y123-L134 HydrophobicContact CE1-CD1 3.48Å; Y123-L134 VanDerWaalsContact CE1-CD1 3.48Å; Y123-L134 HydrophobicContact CE1-CG 4.17Å; Y125-L134 HydrophobicContact CD1-CD1 4.5Å; Y125-L134 HydrophobicContact CD1-CD2 4.44Å; Y125-L134 HydrophobicContact CD2-CD2 4.47Å; Y125-L134 HydrophobicContact CE1-CD2 4.11Å; Y125-L134 HydrophobicContact CE2-CD2 4.18Å; F131-L134 HydrophobicContact CD1-CD2 4.14Å; F131-L134 WeakPolarHBondContact O-CB 3.44Å; F131-L134 PolarHBondContact O-N 2.88Å; L134-I137 PolarHBondContact O-N 2.97Å; L134-M138 HydrophobicContact CD1-CE 3.73Å; L134-M138 HydrophobicContact CD1-CG 4.13Å; L134-M138 VanDerWaalsContact O-CG 3.28Å; L134-M138 WeakPolarHBondContact O-CG 3.48Å; L134-M138 PolarHBondContact O-N 2.84Å; L134-A150 HydrophobicContact CD1-CB 4.02Å
135Q90.8Very high88.1Confident116 Ų11654 Ų5454%0.54230%0.301SS..Hα-helixtrans-61.6-47.9179-177.8177.9-17.300111F131 A132 I133 I137 M138 E139F131-Q135 WeakPolarHBondContact O-CB 3.45Å; F131-Q135 PolarHBondContact O-N 2.85Å; A132-Q135 PolarHBondContact O-N 2.98Å; I133-Q135 VanDerWaalsContact C-N 3.34Å; I133-Q135 PolarHBondContact O-N 3.14Å; Q135-I137 VanDerWaalsContact C-N 3.32Å; Q135-I137 PolarHBondContact O-N 3.1Å; Q135-M138 PolarHBondContact O-N 3.47Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.46Å; Q135-E139 PolarHBondContact NE2-OE1 3.38Å; Q135-E139 WeakPolarHBondContact O-CG 3.38Å; Q135-E139 PolarHBondContact O-N 3.48Å
136A90.8Very high88.3Confident16 Ų1653.4 Ų53.413%0.13230%0.299CS..Hα-helixtrans-61-39.7178.400000112.6L110 A132 I133 S140L110-A136 HydrophobicContact CD1-CB 4.4Å; A132-A136 PolarHBondContact O-N 3.2Å; A132-A136 VanDerWaalsContact O-N 3.11Å; I133-A136 PolarHBondContact O-N 3.3Å; A136-S140 WeakPolarHBondContact O-CB 3.34Å; A136-S140 PolarHBondContact O-N 3.09Å; A136-S140 PolarHBondContact O-OG 3.26Å
137I92.7Very high88.4Confident1 Ų158.8 Ų58.81%0.00532%0.324CS..Hα-helixtrans-65.2-42.9175.5-69.5168.1000111I109 L110 F121 Y123 I133 L134 Q135 S140 A141 V148 L177I109-I137 HydrophobicContact CG2-CD1 4.47Å; L110-I137 HydrophobicContact CD2-CG1 4.33Å; F121-I137 HydrophobicContact CE2-CG2 4.28Å; F121-I137 HydrophobicContact CZ-CG2 4.13Å; Y123-I137 HydrophobicContact CD2-CD1 3.92Å; Y123-I137 HydrophobicContact CE1-CD1 4.38Å; Y123-I137 HydrophobicContact CE2-CD1 3.66Å; Y123-I137 HydrophobicContact CG-CD1 4.38Å; I133-I137 HydrophobicContact CG2-CD1 3.76Å; I133-I137 HydrophobicContact CG2-CG1 4.4Å; I133-I137 VanDerWaalsContact O-CG1 3.32Å; I133-I137 WeakPolarHBondContact O-CG1 3.42Å; I133-I137 PolarHBondContact O-N 3.45Å; L134-I137 PolarHBondContact O-N 2.97Å; Q135-I137 VanDerWaalsContact C-N 3.32Å; Q135-I137 PolarHBondContact O-N 3.1Å; I137-S140 PolarHBondContact O-N 3.05Å; I137-A141 VanDerWaalsContact O-CB 3.23Å; I137-A141 WeakPolarHBondContact O-CB 3.32Å; I137-A141 PolarHBondContact O-N 3.01Å; I137-V148 HydrophobicContact CG2-CG1 4.27Å; I137-V148 HydrophobicContact CG2-CG2 4.28Å; I137-L177 HydrophobicContact CD1-CD2 3.61Å
138M92.3Very high88.9Confident74 Ų7458.4 Ų58.437%0.36532%0.321SS..Hα-helixtrans-67.1-40.8179.8-70.8-65.5178.300112.3L134 Q135 S140 A141 V142 V148 A150L134-M138 HydrophobicContact CD1-CE 3.73Å; L134-M138 HydrophobicContact CD1-CG 4.13Å; L134-M138 VanDerWaalsContact O-CG 3.28Å; L134-M138 WeakPolarHBondContact O-CG 3.48Å; L134-M138 PolarHBondContact O-N 2.84Å; Q135-M138 PolarHBondContact O-N 3.47Å; M138-S140 VanDerWaalsContact C-N 3.34Å; M138-A141 PolarHBondContact O-N 2.83Å; M138-V142 WeakPolarHBondContact O-CG2 3.44Å; M138-V142 PolarHBondContact O-N 3.2Å; M138-V142 VanDerWaalsContact O-N 3.12Å; M138-V148 HydrophobicContact CE-CG1 4.43Å; M138-A150 HydrophobicContact CE-CB 3.59Å
139E92.6Very high89.5Confident114 Ų11457.3 Ų57.353%0.53332%0.317SS..Hα-helixtrans-60.5-45173.7-72.5171.6-170.700111.1Q135 A141 V142 A143Q135-E139 WeakPolarHBondContact CG-OE1 3.46Å; Q135-E139 PolarHBondContact NE2-OE1 3.38Å; Q135-E139 WeakPolarHBondContact O-CG 3.38Å; Q135-E139 PolarHBondContact O-N 3.48Å; E139-A141 VanDerWaalsContact C-N 3.34Å; E139-A141 PolarHBondContact O-N 3.09Å; E139-V142 PolarHBondContact O-N 3.45Å; E139-A143 PolarHBondContact O-N 3.3Å
140S90.8Very high90.1Very high25 Ų2557.2 Ų57.218%0.17532%0.323CS..Hα-helixtrans-68.2-34.1177.4-570000112.2L110 A136 I137 M138 V142 A143 N144L110-S140 WeakPolarHBondContact CD2-OG 3.31Å; A136-S140 WeakPolarHBondContact O-CB 3.34Å; A136-S140 PolarHBondContact O-N 3.09Å; A136-S140 PolarHBondContact O-OG 3.26Å; I137-S140 PolarHBondContact O-N 3.05Å; M138-S140 VanDerWaalsContact C-N 3.34Å; S140-V142 VanDerWaalsContact C-N 3.34Å; S140-V142 PolarHBondContact O-N 3.47Å; S140-A143 PolarHBondContact O-N 3.18Å; S140-N144 WeakPolarHBondContact O-CB 3.5Å; S140-N144 PolarHBondContact O-N 2.86Å
141A91.6Very high90.7Very high9 Ų960.6 Ų60.67%0.07433%0.331CS..Hα-helixtrans-65.4-36.7177.300000112.2I137 M138 E139 N145 W146 V148I137-A141 VanDerWaalsContact O-CB 3.23Å; I137-A141 WeakPolarHBondContact O-CB 3.32Å; I137-A141 PolarHBondContact O-N 3.01Å; M138-A141 PolarHBondContact O-N 2.83Å; E139-A141 VanDerWaalsContact C-N 3.34Å; E139-A141 PolarHBondContact O-N 3.09Å; A141-N145 CarbonylContact O-C 3.48Å; A141-N145 VanDerWaalsContact O-CA 3.28Å; A141-N145 WeakPolarHBondContact O-CA 3.33Å; A141-N145 PolarHBondContact O-N 3.27Å; A141-W146 HydrophobicContact CB-CB 3.87Å; A141-W146 HydrophobicContact CB-CE3 4.28Å; A141-W146 PolarHBondContact O-N 3.41Å; A141-V148 HydrophobicContact CB-CG2 3.84Å
142V91.4Very high90.8Very high120 Ų12058.7 Ų58.773%0.72733%0.327SS*.Hα-helixtrans-68.4-43.5173.7175.30000110.9M138 E139 S140M138-V142 WeakPolarHBondContact O-CG2 3.44Å; M138-V142 PolarHBondContact O-N 3.2Å; M138-V142 VanDerWaalsContact O-N 3.12Å; E139-V142 PolarHBondContact O-N 3.45Å; S140-V142 VanDerWaalsContact C-N 3.34Å; S140-V142 PolarHBondContact O-N 3.47Å
143A91.4Very high90.6Very high78 Ų7857 Ų5765%0.64531%0.313SS*.Hα-helixtrans-64.7-40.4179.600000112.8E139 S140E139-A143 PolarHBondContact O-N 3.3Å; S140-A143 PolarHBondContact O-N 3.18Å
144N89.4Confident89.3Confident77 Ų7756 Ų5641%0.41231%0.31SS..Hα-helixtrans-1026.9-173.6-63.8-27.3000113.9S140 W146S140-N144 WeakPolarHBondContact O-CB 3.5Å; S140-N144 PolarHBondContact O-N 2.86Å; N144-W146 VanDerWaalsContact C-N 3.33Å; N144-W146 HydrophobicContact CB-CD2 4.05Å; N144-W146 HydrophobicContact CB-CG 4.16Å; N144-W146 HydrophobicContact CB-CZ2 4.04Å; N144-W146 VanDerWaalsContact CB-NE1 3.3Å; N144-W146 WeakPolarHBondContact ND2-CZ2 3.37Å; N144-W146 PolarHBondContact O-N 2.89Å
145N89.5Confident87.9Confident145 Ų14561 Ų6178%0.77534%0.341SS*.THydrogen-bonded Turntrans5440.5-175.2-71.3-45.1000114.4A141A141-N145 CarbonylContact O-C 3.48Å; A141-N145 VanDerWaalsContact O-CA 3.28Å; A141-N145 WeakPolarHBondContact O-CA 3.33Å; A141-N145 PolarHBondContact O-N 3.27Å
146W92.3Very high86.6Confident29 Ų2957.3 Ų57.311%0.1133%0.327CS..  trans-78.1142.5177.5-59.7-20000112.8L110 L113 D114 W118 E119 F121 A141 N144 V148L110-W146 HydrophobicContact CD2-CZ3 4.25Å; L113-W146 HydrophobicContact CB-CH2 4.03Å; L113-W146 HydrophobicContact CD1-CH2 4.33Å; L113-W146 HydrophobicContact CD1-CZ3 4.02Å; D114-W146 VanDerWaalsContact OD1-CZ2 3.29Å; D114-W146 WeakPolarHBondContact OD1-CZ2 3.33Å; W118-W146 PolarHBondContact O-NE1 3.43Å; E119-W146 CarbonylContact O-C 3.56Å; E119-W146 VanDerWaalsContact O-CA 3.26Å; E119-W146 WeakPolarHBondContact O-CA 3.45Å; F121-W146 HydrophobicContact CE1-CD2 4.35Å; F121-W146 HydrophobicContact CE1-CE3 4.13Å; F121-W146 HydrophobicContact CZ-CE3 4.19Å; A141-W146 HydrophobicContact CB-CB 3.87Å; A141-W146 HydrophobicContact CB-CE3 4.28Å; A141-W146 PolarHBondContact O-N 3.41Å; N144-W146 VanDerWaalsContact C-N 3.33Å; N144-W146 HydrophobicContact CB-CD2 4.05Å; N144-W146 HydrophobicContact CB-CG 4.16Å; N144-W146 HydrophobicContact CB-CZ2 4.04Å; N144-W146 VanDerWaalsContact CB-NE1 3.3Å; N144-W146 WeakPolarHBondContact ND2-CZ2 3.37Å; N144-W146 PolarHBondContact O-N 2.89Å; W146-V148 HydrophobicContact CB-CG2 4.04Å
147Q89.8Confident85.7Confident114 Ų11462.4 Ų62.453%0.53335%0.352SS..EExtended strand (participates in β ladder)trans-95.192.5171.8-67.2-175-1.100110.1E119 R120 F121E119-Q147 PolarHBondContact O-N 3.13Å; R120-Q147 WeakPolarHBondContact CA-O 3.23Å; R120-Q147 HydrophobicContact CB-CB 4.14Å; R120-Q147 HydrophobicContact CG-CB 3.96Å; F121-Q147 PolarHBondContact N-O 3.23Å
148V93.1Very high84.7Confident28 Ų2866 Ų6617%0.1737%0.373CS..EExtended strand (participates in β ladder)trans-102.6123.1-178.1-173.60000110.9F121 I137 M138 A141 W146F121-V148 HydrophobicContact CD2-CG1 4.36Å; F121-V148 HydrophobicContact CE1-CG2 3.88Å; F121-V148 HydrophobicContact CE2-CG1 3.87Å; F121-V148 HydrophobicContact CE2-CG2 3.94Å; F121-V148 HydrophobicContact CZ-CG1 4.31Å; F121-V148 HydrophobicContact CZ-CG2 3.52Å; F121-V148 WeakPolarHBondContact O-CA 3.22Å; I137-V148 HydrophobicContact CG2-CG1 4.27Å; I137-V148 HydrophobicContact CG2-CG2 4.28Å; M138-V148 HydrophobicContact CE-CG1 4.43Å; A141-V148 HydrophobicContact CB-CG2 3.84Å; W146-V148 HydrophobicContact CB-CG2 4.04Å
149T91.8Very high83.9Confident34 Ų3466.3 Ų66.321%0.20938%0.383CS..EExtended strand (participates in β ladder)trans-99.8100.5170.3-58.60000109.5F121 V122 Y123 R151 M168F121-T149 PolarHBondContact O-N 3.34Å; V122-T149 WeakPolarHBondContact CA-O 3.37Å; Y123-T149 PolarHBondContact N-O 3.13Å; T149-R151 HydrophobicContact CG2-CG 4.49Å; T149-M168 HydrophobicContact CG2-CE 4.46Å; T149-M168 HydrophobicContact CG2-SD 3.98Å
150A91.5Very high83.3Confident32 Ų3263 Ų6326%0.26437%0.371SS..EExtended strand (participates in β ladder)trans-87.4128.2178.900000111.7Y123 Y125 L134 M138Y123-A150 HydrophobicContact CD1-CB 4.26Å; Y123-A150 CarbonylContact O-C 3.55Å; Y123-A150 WeakPolarHBondContact O-CA 3.45Å; Y125-A150 HydrophobicContact CD1-CB 4.4Å; Y125-A150 HydrophobicContact CE1-CB 4.03Å; L134-A150 HydrophobicContact CD1-CB 4.02Å; M138-A150 HydrophobicContact CE-CB 3.59Å
151R89.3Confident82.8Confident89 Ų8962.7 Ų62.734%0.33637%0.366SS..EExtended strand (participates in β ladder)trans-129.2129175.6-67.4-63.5-161.2-175.66.5110.5Y123 L124 Y125 T149 I164 E167Y123-R151 PolarHBondContact O-N 3.48Å; L124-R151 HydrophobicContact CD2-CB 3.91Å; Y125-R151 WeakPolarHBondContact CD1-O 3.29Å; Y125-R151 PolarHBondContact N-O 2.94Å; Y125-R151 VanDerWaalsContact N-O 3.13Å; T149-R151 HydrophobicContact CG2-CG 4.49Å; R151-I164 HydrophobicContact CG-CG2 4.37Å; R151-E167 IonicContact CZ-OE2 2.62Å; R151-E167 IonicContact NH2-OE1 2.79Å; R151-E167 PolarHBondContact NH2-OE1 3.29Å; R151-E167 IonicContact NH2-OE2 3.9Å; R151-E167 PolarHBondContact NH2-OE2 2.97Å
152S87.9Confident82.4Confident42 Ų4263.3 Ų63.329%0.29437%0.368SS..EExtended strand (participates in β ladder)trans-76.9137174.3178.20000110.5T127T127-S152 WeakPolarHBondContact CG2-OG 3.37Å
153V81.5Confident82.1Confident2 Ų263.8 Ų63.81%0.01236%0.363CS..  trans-116.8-3.2-177.6173.50000111.6L124 Y125 T155 Y161 I188L124-V153 HydrophobicContact CB-CG2 4.04Å; L124-V153 HydrophobicContact CD2-CG2 4.24Å; Y125-V153 PolarHBondContact O-N 2.96Å; V153-T155 PolarHBondContact O-N 3.48Å; V153-Y161 HydrophobicContact CB-CE1 4.37Å; V153-Y161 HydrophobicContact CG1-CD1 4.17Å; V153-Y161 HydrophobicContact CG1-CE1 3.12Å; V153-Y161 VanDerWaalsContact CG1-CZ 3.48Å; V153-Y161 WeakPolarHBondContact CG1-OH 3.45Å; V153-Y161 HydrophobicContact CG2-CE1 4.49Å; V153-I188 HydrophobicContact CG1-CD1 4.17Å
154G63.5Low81.8Confident5 Ų561 Ų615%0.05234%0.337CS..THydrogen-bonded Turntrans-52.7-37.6-166.200000118.5D126 R184D126-G154 WeakPolarHBondContact OD1-CA 3.46Å; G154-R184 VanDerWaalsContact C-NH1 3.3Å; G154-R184 PolarHBondContact O-NH1 2.81Å; G154-R184 PolarHBondContact O-NH2 3.14Å
155T62.9Low81.6Confident130 Ų13057.8 Ų57.880%0.79832%0.32SS*.THydrogen-bonded Turntrans-132.327.4-164.141.10000112.9V153V153-T155 PolarHBondContact O-N 3.48Å
156V62.5Low81.5Confident40 Ų4057.7 Ų57.724%0.24231%0.308CS..  trans-117.2134.5-153.9-171.40000112.6T160 Y161V156-T160 HydrophobicContact CG1-CG2 3.43Å; V156-T160 VanDerWaalsContact CG1-CG2 3.43Å; V156-T160 WeakPolarHBondContact CG1-OG1 3.36Å; V156-Y161 VanDerWaalsContact O-CE2 3.3Å; V156-Y161 WeakPolarHBondContact O-CE2 3.48Å
157N71.6Confident81.2Confident122 Ų12258.9 Ų58.965%0.65232%0.315SS*.  trans-68.2153.8174.5-74-14.6000112.3S159 T160 Y161N157-S159 PolarHBondContact O-N 2.94Å; N157-S159 VanDerWaalsContact O-N 3.09Å; N157-T160 WeakPolarHBondContact O-CB 3.34Å; N157-T160 PolarHBondContact O-N 3Å; N157-T160 PolarHBondContact O-OG1 2.81Å; N157-Y161 WeakPolarHBondContact O-CD2 3.2Å
158V72.3Confident81.1Confident77 Ų7753.5 Ų53.547%0.46729%0.29SS..Hα-helixtrans-44.6-43.8176.5-176.90000112.5T160 Y161 T162 E191V158-T160 PolarHBondContact O-N 3.5Å; V158-T160 VanDerWaalsContact O-N 3.17Å; V158-Y161 WeakPolarHBondContact O-CB 3.17Å; V158-Y161 PolarHBondContact O-N 3.41Å; V158-Y161 VanDerWaalsContact O-N 3.09Å; V158-T162 PolarHBondContact O-N 3.11Å; V158-T162 PolarHBondContact O-OG1 3.14Å; V158-E191 HydrophobicContact CG1-CG 4.04Å; V158-E191 WeakPolarHBondContact CG1-OE1 3.28Å
159S76.1Confident80.7Confident80 Ų8053.8 Ų53.856%0.55929%0.29SS*.Hα-helixtrans-58.1-31.4-18053.70000114.8N157 T162 Q163N157-S159 PolarHBondContact O-N 2.94Å; N157-S159 VanDerWaalsContact O-N 3.09Å; S159-T162 WeakPolarHBondContact O-CB 3.41Å; S159-Q163 PolarHBondContact O-N 2.89Å; S159-Q163 VanDerWaalsContact O-N 3.14Å
160T79.8Confident80.4Confident45 Ų4558.2 Ų58.228%0.27631%0.313SS..Hα-helixtrans-80.2-29.7-179.1-31.50000111V156 N157 V158 T162 Q163 I164V156-T160 HydrophobicContact CG1-CG2 3.43Å; V156-T160 VanDerWaalsContact CG1-CG2 3.43Å; V156-T160 WeakPolarHBondContact CG1-OG1 3.36Å; N157-T160 WeakPolarHBondContact O-CB 3.34Å; N157-T160 PolarHBondContact O-N 3Å; N157-T160 PolarHBondContact O-OG1 2.81Å; V158-T160 PolarHBondContact O-N 3.5Å; V158-T160 VanDerWaalsContact O-N 3.17Å; T160-T162 VanDerWaalsContact C-N 3.29Å; T160-T162 PolarHBondContact O-N 2.91Å; T160-Q163 WeakPolarHBondContact O-CB 3.09Å; T160-Q163 PolarHBondContact O-N 3.29Å; T160-I164 HydrophobicContact CG2-CD1 4.37Å; T160-I164 VanDerWaalsContact O-CG1 3.28Å; T160-I164 WeakPolarHBondContact O-CG1 3.35Å; T160-I164 PolarHBondContact O-N 3.38Å
161Y79.7Confident80Confident18 Ų1862 Ų627%0.07132%0.32CS..Hα-helixtrans-60.1-45.8170.8-67.3-90000110.1V153 V156 N157 V158 Q163 I164 I165 I188V153-Y161 HydrophobicContact CB-CE1 4.37Å; V153-Y161 HydrophobicContact CG1-CD1 4.17Å; V153-Y161 HydrophobicContact CG1-CE1 3.12Å; V153-Y161 VanDerWaalsContact CG1-CZ 3.48Å; V153-Y161 WeakPolarHBondContact CG1-OH 3.45Å; V153-Y161 HydrophobicContact CG2-CE1 4.49Å; V156-Y161 VanDerWaalsContact O-CE2 3.3Å; V156-Y161 WeakPolarHBondContact O-CE2 3.48Å; N157-Y161 WeakPolarHBondContact O-CD2 3.2Å; V158-Y161 WeakPolarHBondContact O-CB 3.17Å; V158-Y161 PolarHBondContact O-N 3.41Å; V158-Y161 VanDerWaalsContact O-N 3.09Å; Y161-Q163 VanDerWaalsContact C-N 3.28Å; Y161-Q163 PolarHBondContact O-N 3.33Å; Y161-I164 PolarHBondContact O-N 3.4Å; Y161-I165 WeakPolarHBondContact O-CB 3.36Å; Y161-I165 VanDerWaalsContact O-CG1 3.29Å; Y161-I165 WeakPolarHBondContact O-CG1 3.33Å; Y161-I165 PolarHBondContact O-N 3.4Å; Y161-I188 HydrophobicContact CD1-CD1 4.49Å; Y161-I188 HydrophobicContact CD1-CG1 3.69Å; Y161-I188 HydrophobicContact CE1-CD1 3.94Å; Y161-I188 HydrophobicContact CE1-CG1 3.41Å; Y161-I188 VanDerWaalsContact CE1-CG1 3.41Å
162T82.7Confident79.6Confident22 Ų2259.8 Ų59.814%0.13531%0.314CS..Hα-helixtrans-57-43.3174.2-46.40000111.5V158 S159 T160 R166 E191 L195V158-T162 PolarHBondContact O-N 3.11Å; V158-T162 PolarHBondContact O-OG1 3.14Å; S159-T162 WeakPolarHBondContact O-CB 3.41Å; T160-T162 VanDerWaalsContact C-N 3.29Å; T160-T162 PolarHBondContact O-N 2.91Å; T162-R166 WeakPolarHBondContact O-CB 3.44Å; T162-R166 VanDerWaalsContact O-CG 3.24Å; T162-R166 WeakPolarHBondContact O-CG 3.48Å; T162-R166 PolarHBondContact O-N 2.84Å; T162-E191 PolarHBondContact OG1-OE2 3.18Å; T162-L195 HydrophobicContact CG2-CD1 3.97Å; T162-L195 HydrophobicContact CG2-CD2 3.77Å; T162-L195 HydrophobicContact CG2-CG 4.42Å
163Q85.6Confident79.5Confident130 Ų13058.2 Ų58.261%0.60730%0.302SS*.Hα-helixtrans-65-45.1177.5-174.9177.5-11.100112.4S159 T160 Y161 R166 E167S159-Q163 PolarHBondContact O-N 2.89Å; S159-Q163 VanDerWaalsContact O-N 3.14Å; T160-Q163 WeakPolarHBondContact O-CB 3.09Å; T160-Q163 PolarHBondContact O-N 3.29Å; Y161-Q163 VanDerWaalsContact C-N 3.28Å; Y161-Q163 PolarHBondContact O-N 3.33Å; Q163-R166 PolarHBondContact O-N 3.11Å; Q163-E167 WeakPolarHBondContact O-CB 3.47Å; Q163-E167 PolarHBondContact O-N 3.4Å
164I85.6Confident79.8Confident19 Ų1959.1 Ų59.110%0.09731%0.306CS..Hα-helixtrans-61-49.9177.8-68.5164.6000109.6L124 R151 T160 Y161 R166 E167 M168L124-I164 HydrophobicContact CD2-CG2 4.2Å; R151-I164 HydrophobicContact CG-CG2 4.37Å; T160-I164 HydrophobicContact CG2-CD1 4.37Å; T160-I164 VanDerWaalsContact O-CG1 3.28Å; T160-I164 WeakPolarHBondContact O-CG1 3.35Å; T160-I164 PolarHBondContact O-N 3.38Å; Y161-I164 PolarHBondContact O-N 3.4Å; I164-R166 VanDerWaalsContact C-N 3.32Å; I164-R166 PolarHBondContact O-N 3.01Å; I164-E167 PolarHBondContact O-N 3.39Å; I164-M168 HydrophobicContact CG2-CG 4.28Å; I164-M168 WeakPolarHBondContact O-CB 3.36Å; I164-M168 VanDerWaalsContact O-CG 3.25Å; I164-M168 WeakPolarHBondContact O-CG 3.3Å; I164-M168 PolarHBondContact O-N 3.43Å
165I85.5Confident81.1Confident10 Ų1063.6 Ų63.65%0.05132%0.321CS..Hα-helixtrans-61-41.7-179.7-66.6167.5000110.7Y161 M168 D169 E191 V192 L195 K197Y161-I165 WeakPolarHBondContact O-CB 3.36Å; Y161-I165 VanDerWaalsContact O-CG1 3.29Å; Y161-I165 WeakPolarHBondContact O-CG1 3.33Å; Y161-I165 PolarHBondContact O-N 3.4Å; I165-M168 PolarHBondContact O-N 3.02Å; I165-D169 WeakPolarHBondContact O-CB 3.45Å; I165-D169 PolarHBondContact O-N 3.23Å; I165-E191 HydrophobicContact CD1-CB 4.32Å; I165-V192 HydrophobicContact CD1-CG2 3.87Å; I165-L195 HydrophobicContact CB-CD1 3.97Å; I165-L195 HydrophobicContact CD1-CD1 4.15Å; I165-L195 HydrophobicContact CG2-CD1 3.77Å; I165-K197 HydrophobicContact CG2-CB 4.33Å; I165-K197 HydrophobicContact CG2-CG 3.77Å
166R86Confident82.6Confident144 Ų14457.7 Ų57.754%0.54328%0.284SS..Hα-helixtrans-65.4-42.4175.1-74.2177.2-173.4175.14.7112.8T162 Q163 I164 M168 D169 N170T162-R166 WeakPolarHBondContact O-CB 3.44Å; T162-R166 VanDerWaalsContact O-CG 3.24Å; T162-R166 WeakPolarHBondContact O-CG 3.48Å; T162-R166 PolarHBondContact O-N 2.84Å; Q163-R166 PolarHBondContact O-N 3.11Å; I164-R166 VanDerWaalsContact C-N 3.32Å; I164-R166 PolarHBondContact O-N 3.01Å; R166-M168 VanDerWaalsContact C-N 3.32Å; R166-M168 PolarHBondContact O-N 3.38Å; R166-D169 PolarHBondContact O-N 2.92Å; R166-N170 VanDerWaalsContact O-CG 3.23Å; R166-N170 PolarHBondContact O-N 3.26Å; R166-N170 PolarHBondContact O-ND2 2.86Å
167E87.3Confident84.1Confident54 Ų5455.8 Ų55.825%0.25227%0.273SS..Hα-helixtrans-61.6-42.6176.7-169.4-163.3161.500110.9R151 Q163 I164 N170 R171R151-E167 IonicContact CZ-OE2 2.62Å; R151-E167 IonicContact NH2-OE1 2.79Å; R151-E167 PolarHBondContact NH2-OE1 3.29Å; R151-E167 IonicContact NH2-OE2 3.9Å; R151-E167 PolarHBondContact NH2-OE2 2.97Å; Q163-E167 WeakPolarHBondContact O-CB 3.47Å; Q163-E167 PolarHBondContact O-N 3.4Å; I164-E167 PolarHBondContact O-N 3.39Å; E167-N170 PolarHBondContact O-N 2.98Å; E167-R171 PolarHBondContact O-N 3.22Å; E167-R171 IonicContact OE1-CZ 3.56Å; E167-R171 IonicContact OE1-NH1 2.65Å; E167-R171 IonicContact OE1-NH2 3.65Å; E167-R171 PolarHBondContact OE1-NH2 2.94Å
168M87.8Confident85.1Confident0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-69.8-39178.7-64.8-51.2103.200111.8V122 T149 I164 I165 R166 R171 Q172 E173 F176V122-M168 HydrophobicContact CG1-CG 4.2Å; V122-M168 HydrophobicContact CG1-SD 4.23Å; V122-M168 HydrophobicContact CG2-CB 4.44Å; V122-M168 HydrophobicContact CG2-CG 4.03Å; V122-M168 HydrophobicContact CG2-SD 3.78Å; T149-M168 HydrophobicContact CG2-CE 4.46Å; T149-M168 HydrophobicContact CG2-SD 3.98Å; I164-M168 HydrophobicContact CG2-CG 4.28Å; I164-M168 WeakPolarHBondContact O-CB 3.36Å; I164-M168 VanDerWaalsContact O-CG 3.25Å; I164-M168 WeakPolarHBondContact O-CG 3.3Å; I164-M168 PolarHBondContact O-N 3.43Å; I165-M168 PolarHBondContact O-N 3.02Å; R166-M168 VanDerWaalsContact C-N 3.32Å; R166-M168 PolarHBondContact O-N 3.38Å; M168-R171 CarbonylContact O-C 3.36Å; M168-R171 WeakPolarHBondContact O-CA 3.49Å; M168-R171 WeakPolarHBondContact O-CB 3.42Å; M168-R171 PolarHBondContact O-N 2.89Å; M168-R171 VanDerWaalsContact O-N 3.1Å; M168-Q172 PolarHBondContact O-N 3.33Å; M168-E173 HydrophobicContact CB-CB 4.16Å; M168-E173 WeakPolarHBondContact O-CB 3.29Å; M168-E173 PolarHBondContact O-N 3.45Å; M168-F176 HydrophobicContact CB-CE1 4.1Å; M168-F176 HydrophobicContact CB-CZ 3.96Å; M168-F176 HydrophobicContact CG-CE1 4.24Å
169D84.5Confident86Confident34 Ų3446.6 Ų46.618%0.18222%0.221CC..Hα-helixtrans-64.9-37.5174.418075.6000112.3I165 R166 R171 Q172 K197 Y202I165-D169 WeakPolarHBondContact O-CB 3.45Å; I165-D169 PolarHBondContact O-N 3.23Å; R166-D169 PolarHBondContact O-N 2.92Å; D169-R171 PolarHBondContact O-N 3.31Å; D169-Q172 WeakPolarHBondContact O-CA 3.4Å; D169-Q172 PolarHBondContact O-N 2.81Å; D169-Q172 PolarHBondContact O-NE2 3.04Å; D169-K197 IonicContact OD1-NZ 3.05Å; D169-K197 PolarHBondContact OD1-NZ 3.47Å; D169-K197 WeakPolarHBondContact OD2-CE 3.38Å; D169-K197 IonicContact OD2-NZ 3.58Å; D169-K197 PolarHBondContact OD2-NZ 3.35Å; D169-Y202 PolarHBondContact OD1-OH 2.87Å
170N84.9Confident86.5Confident128 Ų12842.8 Ų42.868%0.68420%0.195SC*.Hα-helixtrans-60.1-32.5172.2-73.4-17.8000112R166 E167 Q172R166-N170 VanDerWaalsContact O-CG 3.23Å; R166-N170 PolarHBondContact O-N 3.26Å; R166-N170 PolarHBondContact O-ND2 2.86Å; E167-N170 PolarHBondContact O-N 2.98Å; N170-Q172 PolarHBondContact O-N 3.3Å
171R83.3Confident86.6Confident111 Ų11142.9 Ų42.942%0.41919%0.192SC..THydrogen-bonded Turntrans-82.71.9173.7-65.3-179.2-176.4171.89.4113.6E167 M168 D169 E173E167-R171 PolarHBondContact O-N 3.22Å; E167-R171 IonicContact OE1-CZ 3.56Å; E167-R171 IonicContact OE1-NH1 2.65Å; E167-R171 IonicContact OE1-NH2 3.65Å; E167-R171 PolarHBondContact OE1-NH2 2.94Å; M168-R171 CarbonylContact O-C 3.36Å; M168-R171 WeakPolarHBondContact O-CA 3.49Å; M168-R171 WeakPolarHBondContact O-CB 3.42Å; M168-R171 PolarHBondContact O-N 2.89Å; M168-R171 VanDerWaalsContact O-N 3.1Å; D169-R171 PolarHBondContact O-N 3.31Å; R171-E173 HydrophobicContact CB-CG 4.05Å; R171-E173 PolarHBondContact O-N 3.47Å
172Q81Confident86.6Confident43 Ų4343.8 Ų43.820%0.20120%0.199CC..THydrogen-bonded Turntrans58.231.2-174.5-60.6-64.3-61.800113.6M168 D169 N170 Y458M168-Q172 PolarHBondContact O-N 3.33Å; D169-Q172 WeakPolarHBondContact O-CA 3.4Å; D169-Q172 PolarHBondContact O-N 2.81Å; D169-Q172 PolarHBondContact O-NE2 3.04Å; N170-Q172 PolarHBondContact O-N 3.3Å; Q172-Y458 HydrophobicContact CB-CD1 4.07Å; Q172-Y458 HydrophobicContact CB-CE1 3.65Å; Q172-Y458 HydrophobicContact CB-CE2 4.23Å; Q172-Y458 HydrophobicContact CG-CD2 4.5Å; Q172-Y458 HydrophobicContact CG-CE1 4.27Å; Q172-Y458 HydrophobicContact CG-CE2 3.96Å
173E86Confident86.5Confident9 Ų947.4 Ų47.44%0.04222%0.217CC..  trans-77.2123.9172.9-60.6-63.8167.500110.5R120 V122 M168 R171 F176R120-E173 IonicContact CZ-OE1 3.7Å; R120-E173 IonicContact NE-OE1 2.63Å; R120-E173 PolarHBondContact NE-OE1 3.31Å; R120-E173 IonicContact NE-OE2 3.44Å; R120-E173 PolarHBondContact NE-OE2 2.82Å; R120-E173 IonicContact NH2-OE1 3.59Å; R120-E173 PolarHBondContact NH2-OE1 2.57Å; V122-E173 HydrophobicContact CG2-CB 3.7Å; V122-E173 HydrophobicContact CG2-CG 3.81Å; M168-E173 HydrophobicContact CB-CB 4.16Å; M168-E173 WeakPolarHBondContact O-CB 3.29Å; M168-E173 PolarHBondContact O-N 3.45Å; R171-E173 HydrophobicContact CB-CG 4.05Å; R171-E173 PolarHBondContact O-N 3.47Å; E173-F176 WeakPolarHBondContact O-CE2 3.27Å
174K86.5Confident86.4Confident21 Ų2143.7 Ų43.79%0.09120%0.198CC..  trans-121.3-3.8-176.7-63.1-168.5174.9-169.90114.4G201 Y202 H203 Y458K174-G201 WeakPolarHBondContact CB-O 3.3Å; K174-Y202 HydrophobicContact CB-CD1 4.1Å; K174-Y202 HydrophobicContact CB-CE1 4.27Å; K174-Y202 HydrophobicContact CB-CG 4.47Å; K174-Y202 HydrophobicContact CG-CD1 4.37Å; K174-Y202 HydrophobicContact CG-CE1 4.13Å; K174-Y202 WeakPolarHBondContact O-CA 3.49Å; K174-H203 PolarHBondContact O-N 3.11Å; K174-Y458 WeakPolarHBondContact CD-O 3.18Å; K174-Y458 PolarHBondContact NZ-O 2.84Å
175R92.4Very high86.4Confident99 Ų9942.9 Ų42.937%0.37419%0.194SC..EExtended strand (participates in β ladder)trans-113.1117.8-175.5-65.7175.8-173.6179.91108.7W118 R120 F121 V122 H203W118-R175 HydrophobicContact CD2-CB 4.32Å; W118-R175 HydrophobicContact CD2-CG 4.43Å; W118-R175 HydrophobicContact CE3-CB 4.12Å; W118-R175 HydrophobicContact CH2-CB 3.77Å; W118-R175 HydrophobicContact CH2-CG 4.29Å; W118-R175 HydrophobicContact CZ2-CB 4Å; W118-R175 HydrophobicContact CZ2-CG 4Å; W118-R175 HydrophobicContact CZ3-CB 3.85Å; R120-R175 WeakPolarHBondContact O-CD 3.39Å; F121-R175 HydrophobicContact CB-CB 3.85Å; V122-R175 PolarHBondContact N-O 3.17Å; R175-H203 WeakPolarHBondContact CA-O 3.48Å
176F93.5Very high86.4Confident6 Ų644.1 Ų44.13%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-126.9128.3-174.8-68-95.6000110.1V122 L124 M168 E173 Y202 H203 Y204 I205V122-F176 HydrophobicContact CB-CD1 3.74Å; V122-F176 HydrophobicContact CB-CE1 3.89Å; V122-F176 HydrophobicContact CB-CG 4.46Å; V122-F176 HydrophobicContact CG1-CD1 3.91Å; V122-F176 HydrophobicContact CG1-CE1 3.96Å; V122-F176 HydrophobicContact CG2-CD1 4.39Å; V122-F176 HydrophobicContact CG2-CE1 4.07Å; V122-F176 HydrophobicContact CG2-CZ 4.49Å; V122-F176 WeakPolarHBondContact O-CA 3.35Å; L124-F176 HydrophobicContact CD1-CD1 4.37Å; M168-F176 HydrophobicContact CB-CE1 4.1Å; M168-F176 HydrophobicContact CB-CZ 3.96Å; M168-F176 HydrophobicContact CG-CE1 4.24Å; E173-F176 WeakPolarHBondContact O-CE2 3.27Å; F176-Y202 HydrophobicContact CD2-CD1 4.38Å; F176-Y202 AromaticContact CE2-CD1 3.98Å; F176-Y202 HydrophobicContact CE2-CD1 3.98Å; F176-Y202 AromaticContact CE2-CE1 3.88Å; F176-Y202 HydrophobicContact CE2-CE1 3.88Å; F176-H203 PolarHBondContact N-O 2.63Å; F176-Y204 HydrophobicContact CB-CD1 3.57Å; F176-Y204 HydrophobicContact CB-CE1 3.8Å; F176-Y204 HydrophobicContact CD2-CD1 4.17Å; F176-Y204 AromaticContact CD2-CE1 3.59Å; F176-Y204 HydrophobicContact CD2-CE1 3.59Å; F176-Y204 HydrophobicContact CE2-CE1 4.37Å; F176-Y204 HydrophobicContact CG-CD1 4.09Å; F176-Y204 AromaticContact CG-CE1 3.77Å; F176-Y204 HydrophobicContact CG-CE1 3.77Å; F176-Y204 CarbonylContact O-C 3.49Å; F176-Y204 WeakPolarHBondContact O-CA 3.32Å; F176-I205 PolarHBondContact O-N 2.88Å
177L94.4Very high86.3Confident0 Ų041.2 Ų41.20%020%0.195CC..EExtended strand (participates in β ladder)trans-106.6117.6168.217663.7000107.9I109 L113 F121 V122 Y123 L124 I137 I205 A207I109-L177 HydrophobicContact CG2-CD1 4.28Å; I109-L177 HydrophobicContact CG2-CD2 3.84Å; L113-L177 HydrophobicContact CD1-CD2 4.42Å; F121-L177 HydrophobicContact CD2-CB 4.4Å; F121-L177 HydrophobicContact CE2-CD2 4.33Å; V122-L177 PolarHBondContact O-N 3.44Å; Y123-L177 HydrophobicContact CD2-CB 4.05Å; Y123-L177 HydrophobicContact CD2-CD2 3.55Å; Y123-L177 HydrophobicContact CD2-CG 3.67Å; Y123-L177 HydrophobicContact CE2-CD2 3.88Å; Y123-L177 HydrophobicContact CE2-CG 4.04Å; L124-L177 PolarHBondContact N-O 3.48Å; I137-L177 HydrophobicContact CD1-CD2 3.61Å; L177-I205 CarbonylContact C-O 3.56Å; L177-I205 WeakPolarHBondContact CA-O 3.41Å; L177-I205 HydrophobicContact CD1-CB 3.69Å; L177-I205 HydrophobicContact CD1-CG2 3.56Å; L177-A207 HydrophobicContact CD1-CB 4.25Å
178I92Very high86.3Confident1 Ų138.7 Ų38.71%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-110112.8-173.9-53.7176.1000109.6L124 C180 I185 I188 L189 Y204 I205 A207L124-I178 HydrophobicContact CD1-CG1 4.38Å; I178-C180 HydrophobicContact CG2-CB 4.44Å; I178-I185 HydrophobicContact CG2-CG1 4.11Å; I178-I188 HydrophobicContact CD1-CG2 4.01Å; I178-I188 HydrophobicContact CG2-CD1 3.91Å; I178-L189 HydrophobicContact CD1-CD2 4.3Å; I178-Y204 HydrophobicContact CD1-CD1 4.08Å; I178-I205 PolarHBondContact N-O 3.1Å; I178-A207 WeakPolarHBondContact O-CB 3.35Å; I178-A207 PolarHBondContact O-N 3.09Å
179D91Very high86.3Confident5 Ų538.8 Ų38.83%0.02718%0.184CC..EExtended strand (participates in β ladder)trans-116.880.2178.4-175.814000111.1Y123 L124 Y125 D126 R129 I133 A207Y123-D179 HydrophobicContact CE2-CB 3.67Å; Y123-D179 PolarHBondContact OH-OD2 3.01Å; L124-D179 PolarHBondContact O-N 3.04Å; Y125-D179 WeakPolarHBondContact CA-O 3.28Å; D126-D179 PolarHBondContact N-O 3.19Å; R129-D179 IonicContact CZ-OD1 3.96Å; R129-D179 VanDerWaalsContact CZ-OD1 3.28Å; R129-D179 IonicContact NE-OD1 3.6Å; R129-D179 IonicContact NH1-OD1 3.41Å; R129-D179 PolarHBondContact NH1-OD1 3.33Å; R129-D179 IonicContact NH2-OD1 3.39Å; I133-D179 WeakPolarHBondContact CD1-OD2 3.05Å; D179-A207 HydrophobicContact CB-CB 3.96Å
180C86.9Confident86.4Confident0 Ų042.5 Ų42.50%020%0.2CC..  trans-134.6167.4-178.9-63.30000111.1R129 I178 R184 I185 N208R129-C180 PolarHBondContact NH1-O 3.37Å; I178-C180 HydrophobicContact CG2-CB 4.44Å; C180-R184 HydrophobicContact CB-CB 3.96Å; C180-I185 HydrophobicContact CB-CG1 3.98Å; C180-I185 VanDerWaalsContact O-CD1 3.23Å; C180-I185 WeakPolarHBondContact O-CD1 3.48Å; C180-N208 PolarHBondContact O-ND2 3.3Å
181E81.2Confident86.5Confident46 Ų4638.4 Ų38.422%0.21518%0.177CC..  trans-65159.1166.7-69.1-160.3141.800111.8R2 R129 D183 R184 I185R2-E181 IonicContact CZ-OE1 3.51Å; R2-E181 IonicContact NE-OE1 2.89Å; R2-E181 IonicContact NH1-OE1 3.11Å; R2-E181 PolarHBondContact NH1-OE1 2.93Å; R129-E181 HydrophobicContact CG-CG 4.25Å; E181-D183 VanDerWaalsContact C-N 3.35Å; E181-D183 PolarHBondContact O-N 3.01Å; E181-R184 PolarHBondContact O-N 3.41Å; E181-R184 VanDerWaalsContact O-N 3.09Å; E181-I185 WeakPolarHBondContact O-CG1 3.33Å; E181-I185 PolarHBondContact O-N 3.46Å
182V81.3Confident86.7Confident37 Ų3733.3 Ų33.322%0.22416%0.158CC..Hα-helixtrans-56.3-47.3-172.4-177.90000111.6R184 I185 D186 N208 Y264V182-R184 PolarHBondContact O-N 3.34Å; V182-I185 WeakPolarHBondContact O-CB 3.41Å; V182-I185 PolarHBondContact O-N 3.25Å; V182-I185 VanDerWaalsContact O-N 3.13Å; V182-D186 PolarHBondContact O-N 3.35Å; V182-N208 WeakPolarHBondContact CG2-ND2 3.48Å; V182-Y264 HydrophobicContact CG2-CE1 4.38Å
183D80Confident87.1Confident98 Ų9833.7 Ų33.752%0.52416%0.163SC..Hα-helixtrans-58.4-36.4-179.7-56.6-18.3000112.2E181 L187E181-D183 VanDerWaalsContact C-N 3.35Å; E181-D183 PolarHBondContact O-N 3.01Å; D183-L187 WeakPolarHBondContact O-CG 3.29Å; D183-L187 PolarHBondContact O-N 3.05Å
184R83.1Confident87.2Confident53 Ų5337 Ų3720%0.219%0.192CC..Hα-helixtrans-78.6-36.1179.3-65-178.3-177.2-151.80.1112.1D126 D128 G154 C180 E181 V182 D186 L187 I188D126-R184 IonicContact OD1-CZ 2.7Å; D126-R184 IonicContact OD1-NH1 3.72Å; D126-R184 PolarHBondContact OD1-NH1 2.78Å; D126-R184 IonicContact OD1-NH2 2.72Å; D126-R184 WeakPolarHBondContact OD2-CD 3.47Å; D126-R184 IonicContact OD2-CZ 3.32Å; D126-R184 IonicContact OD2-NE 3.47Å; D126-R184 PolarHBondContact OD2-NE 2.91Å; D126-R184 IonicContact OD2-NH1 2.76Å; D126-R184 PolarHBondContact OD2-NH1 2.76Å; D126-R184 IonicContact OD2-NH2 2.78Å; D128-R184 IonicContact OD2-CZ 2.91Å; D128-R184 IonicContact OD2-NH1 3.81Å; D128-R184 IonicContact OD2-NH2 3.89Å; D128-R184 PolarHBondContact OD2-NH2 3.48Å; G154-R184 VanDerWaalsContact C-NH1 3.3Å; G154-R184 PolarHBondContact O-NH1 2.81Å; G154-R184 PolarHBondContact O-NH2 3.14Å; C180-R184 HydrophobicContact CB-CB 3.96Å; E181-R184 PolarHBondContact O-N 3.41Å; E181-R184 VanDerWaalsContact O-N 3.09Å; V182-R184 PolarHBondContact O-N 3.34Å; R184-D186 VanDerWaalsContact C-N 3.28Å; R184-D186 PolarHBondContact O-N 3.32Å; R184-L187 PolarHBondContact O-N 2.97Å; R184-I188 VanDerWaalsContact O-CG1 3.28Å; R184-I188 WeakPolarHBondContact O-CG1 2.84Å; R184-I188 PolarHBondContact O-N 2.91Å
185I85.9Confident87.2Confident1 Ų138 Ų381%0.00520%0.198CC..Hα-helixtrans-57-47.5172.6-70.3162.1000109.1I178 C180 E181 V182 L187 I188 L189 V206 N208I178-I185 HydrophobicContact CG2-CG1 4.11Å; C180-I185 HydrophobicContact CB-CG1 3.98Å; C180-I185 VanDerWaalsContact O-CD1 3.23Å; C180-I185 WeakPolarHBondContact O-CD1 3.48Å; E181-I185 WeakPolarHBondContact O-CG1 3.33Å; E181-I185 PolarHBondContact O-N 3.46Å; V182-I185 WeakPolarHBondContact O-CB 3.41Å; V182-I185 PolarHBondContact O-N 3.25Å; V182-I185 VanDerWaalsContact O-N 3.13Å; I185-L187 VanDerWaalsContact C-N 3.3Å; I185-L187 PolarHBondContact O-N 3.06Å; I185-I188 PolarHBondContact O-N 3.36Å; I185-I188 VanDerWaalsContact O-N 3.15Å; I185-L189 HydrophobicContact CG2-CD1 3.74Å; I185-L189 HydrophobicContact CG2-CG 4.05Å; I185-L189 WeakPolarHBondContact O-CB 3.36Å; I185-L189 VanDerWaalsContact O-CG 3.29Å; I185-L189 WeakPolarHBondContact O-CG 3.47Å; I185-L189 PolarHBondContact O-N 3.45Å; I185-V206 HydrophobicContact CD1-CG1 3.44Å; I185-V206 VanDerWaalsContact CD1-CG1 3.44Å; I185-V206 HydrophobicContact CG1-CG1 3.92Å; I185-V206 HydrophobicContact CG2-CG1 3.82Å; I185-N208 HydrophobicContact CD1-CB 3.84Å
186D85Confident86.8Confident36 Ų3634.8 Ų34.819%0.19320%0.196CC..Hα-helixtrans-60.5-39.3-179.6-74.5-19.7000112.2V182 R184 Q190 S215V182-D186 PolarHBondContact O-N 3.35Å; R184-D186 VanDerWaalsContact C-N 3.28Å; R184-D186 PolarHBondContact O-N 3.32Å; D186-Q190 WeakPolarHBondContact O-CB 3.33Å; D186-Q190 WeakPolarHBondContact O-CG 3.31Å; D186-Q190 PolarHBondContact O-N 3.03Å; D186-S215 WeakPolarHBondContact OD1-CB 3.44Å; D186-S215 PolarHBondContact OD1-OG 3.29Å
187L85.1Confident86.5Confident83 Ų8336.4 Ų36.444%0.43520%0.203SC..Hα-helixtrans-63.7-46173.4-68.1172.4000112.4D183 R184 I185 L189 Q190 E191D183-L187 WeakPolarHBondContact O-CG 3.29Å; D183-L187 PolarHBondContact O-N 3.05Å; R184-L187 PolarHBondContact O-N 2.97Å; I185-L187 VanDerWaalsContact C-N 3.3Å; I185-L187 PolarHBondContact O-N 3.06Å; L187-L189 VanDerWaalsContact C-N 3.34Å; L187-L189 PolarHBondContact O-N 3.39Å; L187-Q190 PolarHBondContact O-N 3.37Å; L187-E191 PolarHBondContact O-N 2.89Å; L187-E191 VanDerWaalsContact O-N 3.11Å
188I87.4Confident86.2Confident2 Ų237.2 Ų37.21%0.0121%0.208CC..Hα-helixtrans-61.4-45.1178.3-66.1163.8000110.5L124 V153 Y161 I178 R184 I185 Q190 E191 V192L124-I188 HydrophobicContact CD1-CG2 4.49Å; V153-I188 HydrophobicContact CG1-CD1 4.17Å; Y161-I188 HydrophobicContact CD1-CD1 4.49Å; Y161-I188 HydrophobicContact CD1-CG1 3.69Å; Y161-I188 HydrophobicContact CE1-CD1 3.94Å; Y161-I188 HydrophobicContact CE1-CG1 3.41Å; Y161-I188 VanDerWaalsContact CE1-CG1 3.41Å; I178-I188 HydrophobicContact CD1-CG2 4.01Å; I178-I188 HydrophobicContact CG2-CD1 3.91Å; R184-I188 VanDerWaalsContact O-CG1 3.28Å; R184-I188 WeakPolarHBondContact O-CG1 2.84Å; R184-I188 PolarHBondContact O-N 2.91Å; I185-I188 PolarHBondContact O-N 3.36Å; I185-I188 VanDerWaalsContact O-N 3.15Å; I188-Q190 VanDerWaalsContact C-N 3.34Å; I188-Q190 PolarHBondContact O-N 2.93Å; I188-E191 PolarHBondContact O-N 2.88Å; I188-V192 HydrophobicContact CG2-CG2 4.44Å; I188-V192 WeakPolarHBondContact O-CG2 3.46Å; I188-V192 PolarHBondContact O-N 2.73Å
189L87.1Confident85.8Confident2 Ų240.3 Ų40.31%0.0123%0.227CC..Hα-helixtrans-66.1-36.7-179.3-69-176.3000111.9I178 I185 L187 V192 V193 L216 V219I178-L189 HydrophobicContact CD1-CD2 4.3Å; I185-L189 HydrophobicContact CG2-CD1 3.74Å; I185-L189 HydrophobicContact CG2-CG 4.05Å; I185-L189 WeakPolarHBondContact O-CB 3.36Å; I185-L189 VanDerWaalsContact O-CG 3.29Å; I185-L189 WeakPolarHBondContact O-CG 3.47Å; I185-L189 PolarHBondContact O-N 3.45Å; L187-L189 VanDerWaalsContact C-N 3.34Å; L187-L189 PolarHBondContact O-N 3.39Å; L189-V192 PolarHBondContact O-N 3.35Å; L189-V193 WeakPolarHBondContact O-CG2 3.18Å; L189-V193 PolarHBondContact O-N 2.89Å; L189-V193 VanDerWaalsContact O-N 3.11Å; L189-L216 HydrophobicContact CD1-CD2 3.99Å; L189-V219 HydrophobicContact CB-CG2 3.79Å; L189-V219 HydrophobicContact CD1-CG2 4.36Å; L189-V219 HydrophobicContact CD2-CG2 4.01Å; L189-V219 HydrophobicContact CG-CG2 4.24Å
190Q87.2Confident85.3Confident111 Ų11143.5 Ų43.552%0.51924%0.238SC..Hα-helixtrans-62-44.2172.8-75.2173.322.600111.9D186 L187 I188 V193 A194D186-Q190 WeakPolarHBondContact O-CB 3.33Å; D186-Q190 WeakPolarHBondContact O-CG 3.31Å; D186-Q190 PolarHBondContact O-N 3.03Å; L187-Q190 PolarHBondContact O-N 3.37Å; I188-Q190 VanDerWaalsContact C-N 3.34Å; I188-Q190 PolarHBondContact O-N 2.93Å; Q190-V193 PolarHBondContact O-N 2.89Å; Q190-A194 WeakPolarHBondContact O-CB 3.18Å; Q190-A194 PolarHBondContact O-N 3.03Å
191E86.4Confident85Confident43 Ų4345 Ų4520%0.20125%0.254CS..Hα-helixtrans-64.6-39176.2-74.1-61.7131.100112.6V158 T162 I165 L187 I188 V193 A194 L195V158-E191 HydrophobicContact CG1-CG 4.04Å; V158-E191 WeakPolarHBondContact CG1-OE1 3.28Å; T162-E191 PolarHBondContact OG1-OE2 3.18Å; I165-E191 HydrophobicContact CD1-CB 4.32Å; L187-E191 PolarHBondContact O-N 2.89Å; L187-E191 VanDerWaalsContact O-N 3.11Å; I188-E191 PolarHBondContact O-N 2.88Å; E191-V193 VanDerWaalsContact C-N 3.3Å; E191-V193 PolarHBondContact O-N 3.47Å; E191-A194 PolarHBondContact O-N 3.35Å; E191-L195 WeakPolarHBondContact O-CB 3.47Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 3.39Å
192V88.4Confident85.4Confident3 Ų343.2 Ų43.22%0.01825%0.245CC..Hα-helixtrans-58.9-42.3174.6165.60000111.2I165 I188 L189 G196 K197 N198 Y204 V219I165-V192 HydrophobicContact CD1-CG2 3.87Å; I188-V192 HydrophobicContact CG2-CG2 4.44Å; I188-V192 WeakPolarHBondContact O-CG2 3.46Å; I188-V192 PolarHBondContact O-N 2.73Å; L189-V192 PolarHBondContact O-N 3.35Å; V192-G196 PolarHBondContact O-N 3.15Å; V192-K197 HydrophobicContact CG1-CB 4.17Å; V192-K197 PolarHBondContact O-N 3.43Å; V192-N198 HydrophobicContact CG1-CB 4.28Å; V192-Y204 HydrophobicContact CG1-CE1 4.33Å; V192-Y204 HydrophobicContact CG1-CE2 4.05Å; V192-Y204 WeakPolarHBondContact CG1-OH 2.96Å; V192-Y204 HydrophobicContact CG2-CE1 4.17Å; V192-V219 HydrophobicContact CG1-CG1 4.45Å
193V88.6Confident85.9Confident51 Ų5142.4 Ų42.431%0.30924%0.239SC..Hα-helixtrans-69-44.5176.2175.10000111L189 Q190 E191 L195 G196 N198 V219L189-V193 WeakPolarHBondContact O-CG2 3.18Å; L189-V193 PolarHBondContact O-N 2.89Å; L189-V193 VanDerWaalsContact O-N 3.11Å; Q190-V193 PolarHBondContact O-N 2.89Å; E191-V193 VanDerWaalsContact C-N 3.3Å; E191-V193 PolarHBondContact O-N 3.47Å; V193-L195 PolarHBondContact O-N 2.78Å; V193-G196 PolarHBondContact O-N 3.36Å; V193-N198 HydrophobicContact CG2-CB 4.39Å; V193-V219 HydrophobicContact CG2-CB 4.32Å; V193-V219 HydrophobicContact CG2-CG2 3.71Å
194A86.9Confident86.5Confident78 Ų7837.9 Ų37.965%0.64522%0.215SC*.Hα-helixtrans-59.6-34.6179.100000112.7Q190 E191 G196Q190-A194 WeakPolarHBondContact O-CB 3.18Å; Q190-A194 PolarHBondContact O-N 3.03Å; E191-A194 PolarHBondContact O-N 3.35Å; A194-G196 VanDerWaalsContact C-N 3.34Å
195L86.5Confident87Confident42 Ų4235.4 Ų35.422%0.2221%0.205CC..THydrogen-bonded Turntrans-86.60.1177.3-63.8170000114T162 I165 E191 V193 K197T162-L195 HydrophobicContact CG2-CD1 3.97Å; T162-L195 HydrophobicContact CG2-CD2 3.77Å; T162-L195 HydrophobicContact CG2-CG 4.42Å; I165-L195 HydrophobicContact CB-CD1 3.97Å; I165-L195 HydrophobicContact CD1-CD1 4.15Å; I165-L195 HydrophobicContact CG2-CD1 3.77Å; E191-L195 WeakPolarHBondContact O-CB 3.47Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 3.39Å; V193-L195 PolarHBondContact O-N 2.78Å; L195-K197 HydrophobicContact CB-CG 3.84Å; L195-K197 PolarHBondContact O-N 3.38Å
196G84.9Confident87.3Confident33 Ų3335.4 Ų35.434%0.3421%0.205SC..THydrogen-bonded Turntrans64.125.7-176.600000113.6V192 V193 A194 N198 T199V192-G196 PolarHBondContact O-N 3.15Å; V193-G196 PolarHBondContact O-N 3.36Å; A194-G196 VanDerWaalsContact C-N 3.34Å; G196-N198 PolarHBondContact O-N 3.26Å; G196-T199 WeakPolarHBondContact O-CG2 3.34Å
197K88.4Confident87.5Confident39 Ų3933.7 Ų33.717%0.1720%0.196CC..THydrogen-bonded Turntrans-9117.1178.5-53.8-51.6-176.7176.90112.6I165 D169 V192 L195 Y202 Y204I165-K197 HydrophobicContact CG2-CB 4.33Å; I165-K197 HydrophobicContact CG2-CG 3.77Å; D169-K197 IonicContact OD1-NZ 3.05Å; D169-K197 PolarHBondContact OD1-NZ 3.47Å; D169-K197 WeakPolarHBondContact OD2-CE 3.38Å; D169-K197 IonicContact OD2-NZ 3.58Å; D169-K197 PolarHBondContact OD2-NZ 3.35Å; V192-K197 HydrophobicContact CG1-CB 4.17Å; V192-K197 PolarHBondContact O-N 3.43Å; L195-K197 HydrophobicContact CB-CG 3.84Å; L195-K197 PolarHBondContact O-N 3.38Å; K197-Y202 HydrophobicContact CB-CE1 4.37Å; K197-Y202 HydrophobicContact CD-CE2 4.49Å; K197-Y202 WeakPolarHBondContact O-CD2 3.44Å; K197-Y202 VanDerWaalsContact O-CG 3.28Å; K197-Y204 PolarHBondContact O-OH 3.39Å
198N87.2Confident87.7Confident18 Ų1829.8 Ų29.810%0.09618%0.175CC..THydrogen-bonded Turntrans-96.313.3171.164.5-24.9000112.6V192 V193 G196 V219 G222 G223 A224V192-N198 HydrophobicContact CG1-CB 4.28Å; V193-N198 HydrophobicContact CG2-CB 4.39Å; G196-N198 PolarHBondContact O-N 3.26Å; N198-V219 HydrophobicContact CB-CG1 4Å; N198-V219 WeakPolarHBondContact CB-O 3.46Å; N198-G222 CarbonylContact O-C 3.5Å; N198-G222 WeakPolarHBondContact O-CA 3.46Å; N198-G222 VanDerWaalsContact O-O 3.07Å; N198-G223 PolarHBondContact O-N 2.74Å; N198-A224 WeakPolarHBondContact O-CB 3.3Å; N198-A224 PolarHBondContact O-N 3.37Å
199T83.7Confident87.6Confident66 Ų6630 Ų3041%0.40518%0.177SC..BIsolated β-bridgetrans-75.3165.2-178.147.10000113.3G196 G201 Y202 G222G196-T199 WeakPolarHBondContact O-CG2 3.34Å; T199-G201 PolarHBondContact O-N 3.13Å; T199-Y202 WeakPolarHBondContact O-CD2 3.48Å; T199-Y202 PolarHBondContact O-N 3.09Å; T199-G222 WeakPolarHBondContact CA-O 3.45Å
200R80.1Confident86.8Confident71 Ų7130.9 Ų30.927%0.26819%0.186SC..THydrogen-bonded Turntrans-53.6132.2175.8-172.9177.4175.7168.11.2112.1G223 D462R200-G223 WeakPolarHBondContact CA-O 3.15Å; R200-D462 IonicContact CZ-OD1 3.74Å; R200-D462 IonicContact CZ-OD2 2.75Å; R200-D462 IonicContact NH1-OD2 3.84Å; R200-D462 IonicContact NH2-OD1 2.7Å; R200-D462 PolarHBondContact NH2-OD1 2.86Å; R200-D462 IonicContact NH2-OD2 3.78Å; R200-D462 PolarHBondContact NH2-OD2 3.2Å
201G81.7Confident85.9Confident31 Ų3126.5 Ų26.532%0.3217%0.166SC..THydrogen-bonded Turntrans104.8-15.7-178.300000113.7K174 T199K174-G201 WeakPolarHBondContact CB-O 3.3Å; T199-G201 PolarHBondContact O-N 3.13Å
202Y89.6Confident84.8Confident9 Ų925.8 Ų25.84%0.03517%0.166CC..  trans-80.3143.5168.7-77-89.1000111.6D169 K174 F176 K197 T199 Y204 A224 N225D169-Y202 PolarHBondContact OD1-OH 2.87Å; K174-Y202 HydrophobicContact CB-CD1 4.1Å; K174-Y202 HydrophobicContact CB-CE1 4.27Å; K174-Y202 HydrophobicContact CB-CG 4.47Å; K174-Y202 HydrophobicContact CG-CD1 4.37Å; K174-Y202 HydrophobicContact CG-CE1 4.13Å; K174-Y202 WeakPolarHBondContact O-CA 3.49Å; F176-Y202 HydrophobicContact CD2-CD1 4.38Å; F176-Y202 AromaticContact CE2-CD1 3.98Å; F176-Y202 HydrophobicContact CE2-CD1 3.98Å; F176-Y202 AromaticContact CE2-CE1 3.88Å; F176-Y202 HydrophobicContact CE2-CE1 3.88Å; K197-Y202 HydrophobicContact CB-CE1 4.37Å; K197-Y202 HydrophobicContact CD-CE2 4.49Å; K197-Y202 WeakPolarHBondContact O-CD2 3.44Å; K197-Y202 VanDerWaalsContact O-CG 3.28Å; T199-Y202 WeakPolarHBondContact O-CD2 3.48Å; T199-Y202 PolarHBondContact O-N 3.09Å; Y202-Y204 HydrophobicContact CD1-CE2 4.34Å; Y202-Y204 AromaticContact CD1-CZ 3.98Å; Y202-Y204 WeakPolarHBondContact CD1-OH 3.26Å; Y202-Y204 HydrophobicContact CG-CE2 4.34Å; Y202-A224 WeakPolarHBondContact O-CA 3.47Å; Y202-N225 PolarHBondContact O-N 2.98Å
203H91.2Very high83.5Confident21 Ų2129.2 Ų29.210%0.09718%0.184CC..EExtended strand (participates in β ladder)trans-137.6121173.8-169.2179.5000110.1Y116 W118 K174 R175 F176 N225Y116-H203 AromaticContact CE1-CE1 3.98Å; Y116-H203 AromaticContact CE2-CE1 3.95Å; Y116-H203 AromaticContact CZ-CE1 3.92Å; W118-H203 HydrophobicContact CH2-CB 4.48Å; W118-H203 HydrophobicContact CZ2-CB 3.89Å; W118-H203 AromaticContact CZ2-CE1 3.84Å; W118-H203 AromaticContact CZ2-CG 3.57Å; W118-H203 AromaticContact CZ2-ND1 3.42Å; W118-H203 WeakPolarHBondContact CZ2-ND1 3.29Å; W118-H203 AromaticContact NE1-ND1 3.98Å; K174-H203 PolarHBondContact O-N 3.11Å; R175-H203 WeakPolarHBondContact CA-O 3.48Å; F176-H203 PolarHBondContact N-O 2.63Å; H203-N225 VanDerWaalsContact CA-O 3.32Å; H203-N225 WeakPolarHBondContact CA-O 3.43Å; H203-N225 HydrophobicContact CB-CB 4.25Å; H203-N225 PolarHBondContact CD2-O 2.92Å
204Y92.4Very high82.1Confident3 Ų331.6 Ų31.61%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-109.7127.5179.2-60.8-84.9000110.6F176 I178 V192 K197 Y202 V219 A224 N225 I226 T227F176-Y204 HydrophobicContact CB-CD1 3.57Å; F176-Y204 HydrophobicContact CB-CE1 3.8Å; F176-Y204 HydrophobicContact CD2-CD1 4.17Å; F176-Y204 AromaticContact CD2-CE1 3.59Å; F176-Y204 HydrophobicContact CD2-CE1 3.59Å; F176-Y204 HydrophobicContact CE2-CE1 4.37Å; F176-Y204 HydrophobicContact CG-CD1 4.09Å; F176-Y204 AromaticContact CG-CE1 3.77Å; F176-Y204 HydrophobicContact CG-CE1 3.77Å; F176-Y204 CarbonylContact O-C 3.49Å; F176-Y204 WeakPolarHBondContact O-CA 3.32Å; I178-Y204 HydrophobicContact CD1-CD1 4.08Å; V192-Y204 HydrophobicContact CG1-CE1 4.33Å; V192-Y204 HydrophobicContact CG1-CE2 4.05Å; V192-Y204 WeakPolarHBondContact CG1-OH 2.96Å; V192-Y204 HydrophobicContact CG2-CE1 4.17Å; K197-Y204 PolarHBondContact O-OH 3.39Å; Y202-Y204 HydrophobicContact CD1-CE2 4.34Å; Y202-Y204 AromaticContact CD1-CZ 3.98Å; Y202-Y204 WeakPolarHBondContact CD1-OH 3.26Å; Y202-Y204 HydrophobicContact CG-CE2 4.34Å; Y204-V219 HydrophobicContact CD2-CG1 4.4Å; Y204-A224 HydrophobicContact CD2-CB 4.14Å; Y204-A224 HydrophobicContact CE2-CB 4.01Å; Y204-N225 PolarHBondContact N-O 3.3Å; Y204-I226 VanDerWaalsContact O-CA 3.3Å; Y204-I226 WeakPolarHBondContact O-CA 3Å; Y204-T227 PolarHBondContact O-N 3.09Å
205I93.4Very high81.1Confident1 Ų128.7 Ų28.71%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-107.4125.1168.3-53.5-177.2000107L112 L113 Y116 W118 F176 L177 I178 T227 F229L112-I205 HydrophobicContact CD2-CD1 4.37Å; L112-I205 HydrophobicContact CD2-CG2 3.96Å; L113-I205 HydrophobicContact CD2-CD1 4.07Å; Y116-I205 HydrophobicContact CD2-CD1 4.39Å; W118-I205 HydrophobicContact CD2-CD1 4.32Å; W118-I205 HydrophobicContact CE3-CD1 3.99Å; W118-I205 HydrophobicContact CH2-CD1 3.56Å; W118-I205 HydrophobicContact CH2-CG1 3.49Å; W118-I205 VanDerWaalsContact CH2-CG1 3.49Å; W118-I205 HydrophobicContact CZ2-CD1 3.88Å; W118-I205 HydrophobicContact CZ2-CG1 3.99Å; W118-I205 HydrophobicContact CZ3-CD1 3.59Å; W118-I205 HydrophobicContact CZ3-CG1 3.91Å; F176-I205 PolarHBondContact O-N 2.88Å; L177-I205 CarbonylContact C-O 3.56Å; L177-I205 WeakPolarHBondContact CA-O 3.41Å; L177-I205 HydrophobicContact CD1-CB 3.69Å; L177-I205 HydrophobicContact CD1-CG2 3.56Å; I178-I205 PolarHBondContact N-O 3.1Å; I205-T227 WeakPolarHBondContact CG1-OG1 3.18Å; I205-F229 HydrophobicContact CG2-CE2 4.1Å; I205-F229 HydrophobicContact CG2-CZ 4.5Å
206V91.9Very high80.3Confident0 Ų026.8 Ų26.80%016%0.164CC..EExtended strand (participates in β ladder)trans-107.5112.7179.4-164.20000110.6I185 N208 I211 I226 T227 F229I185-V206 HydrophobicContact CD1-CG1 3.44Å; I185-V206 VanDerWaalsContact CD1-CG1 3.44Å; I185-V206 HydrophobicContact CG1-CG1 3.92Å; I185-V206 HydrophobicContact CG2-CG1 3.82Å; V206-N208 VanDerWaalsContact C-N 3.3Å; V206-N208 PolarHBondContact O-N 2.62Å; V206-I211 HydrophobicContact CB-CD1 3.4Å; V206-I211 HydrophobicContact CG1-CD1 3.24Å; V206-I211 HydrophobicContact CG1-CG1 4.36Å; V206-I211 HydrophobicContact CG2-CD1 4.1Å; V206-I226 HydrophobicContact CG2-CG2 4.3Å; V206-T227 PolarHBondContact N-O 3.18Å; V206-F229 WeakPolarHBondContact O-CD2 3.46Å
207A90.1Very high79.8Confident0 Ų028.9 Ų28.90%017%0.167CC..  trans-83.366-176.600000112L105 I109 R129 L177 I178 D179L105-A207 HydrophobicContact CD2-CB 4.03Å; I109-A207 HydrophobicContact CD1-CB 3.63Å; I109-A207 HydrophobicContact CG1-CB 4.37Å; R129-A207 PolarHBondContact NH1-O 2.72Å; R129-A207 VanDerWaalsContact NH1-O 3.11Å; L177-A207 HydrophobicContact CD1-CB 4.25Å; I178-A207 WeakPolarHBondContact O-CB 3.35Å; I178-A207 PolarHBondContact O-N 3.09Å; D179-A207 HydrophobicContact CB-CB 3.96Å
208N88.7Confident79.2Confident1 Ų133 Ų331%0.00519%0.185CC..  trans-146.1156.1174.4-152.9-23.5000110.8C180 V182 I185 V206 I211 F229 Y264C180-N208 PolarHBondContact O-ND2 3.3Å; V182-N208 WeakPolarHBondContact CG2-ND2 3.48Å; I185-N208 HydrophobicContact CD1-CB 3.84Å; V206-N208 VanDerWaalsContact C-N 3.3Å; V206-N208 PolarHBondContact O-N 2.62Å; N208-I211 HydrophobicContact CB-CG1 4.35Å; N208-F229 CarbonylContact O-C 3.58Å; N208-F229 WeakPolarHBondContact O-CB 3.41Å; N208-Y264 WeakPolarHBondContact OD1-CE1 3.13Å; N208-Y264 PolarHBondContact OD1-OH 2.74Å
209L85.5Confident78.6Confident6 Ų632.2 Ų32.23%0.03118%0.181CC..SBendtrans-92.2-1.8-169.7-67.4173.5000114.8R102 P103 L105 F229 Q230 I231 Y264 I342R102-L209 HydrophobicContact CG-CD1 3.8Å; P103-L209 HydrophobicContact CG-CD1 4.27Å; L105-L209 HydrophobicContact CD1-CD2 3.89Å; L209-F229 CarbonylContact C-O 3.5Å; L209-Q230 WeakPolarHBondContact O-CA 3.48Å; L209-I231 HydrophobicContact CB-CB 4.36Å; L209-I231 HydrophobicContact CB-CG2 4.1Å; L209-I231 HydrophobicContact CD1-CD1 4.48Å; L209-I231 HydrophobicContact CD2-CB 4.39Å; L209-I231 PolarHBondContact O-N 2.9Å; L209-I231 VanDerWaalsContact O-N 3.14Å; L209-Y264 HydrophobicContact CB-CD1 4.37Å; L209-Y264 HydrophobicContact CB-CD2 3.91Å; L209-Y264 HydrophobicContact CB-CE2 4.15Å; L209-Y264 HydrophobicContact CB-CG 4.03Å; L209-Y264 HydrophobicContact CD1-CD2 4.36Å; L209-Y264 HydrophobicContact CD1-CE2 4.27Å; L209-I342 HydrophobicContact CD2-CD1 3.95Å; L209-I342 HydrophobicContact CD2-CG1 4.41Å; L209-I342 HydrophobicContact CD2-CG2 4.25Å
210G71.1Confident78.3Confident21 Ų2131 Ų3122%0.21617%0.17CC..  trans-167.692.2-179.200000111.9
211I67Low78.1Confident19 Ų1932.2 Ų32.210%0.09719%0.19CC..  trans-100.3140.8175.5-65.5164000109.3V206 N208 L216V206-I211 HydrophobicContact CB-CD1 3.4Å; V206-I211 HydrophobicContact CG1-CD1 3.24Å; V206-I211 HydrophobicContact CG1-CG1 4.36Å; V206-I211 HydrophobicContact CG2-CD1 4.1Å; N208-I211 HydrophobicContact CB-CG1 4.35Å; I211-L216 HydrophobicContact CB-CD1 4.14Å; I211-L216 HydrophobicContact CG2-CD1 3.53Å; I211-L216 HydrophobicContact CG2-CD2 3.89Å; I211-L216 HydrophobicContact CG2-CG 3.57Å
212S63.1Low77.6Confident28 Ų2832 Ų3220%0.19619%0.188CC..  trans-71.2132.6172.754.90000110.6T214S212-T214 PolarHBondContact O-N 3.17Å; S212-T214 VanDerWaalsContact O-N 3.13Å
213N62.3Low77.1Confident76 Ų7633.2 Ų33.241%0.40620%0.203SC..Hα-helixtrans-60-28.6-177.1-64.8-12.5000112.8S215 L216 D217N213-S215 PolarHBondContact O-N 2.82Å; N213-L216 PolarHBondContact O-N 3.47Å; N213-D217 VanDerWaalsContact O-CG 3.32Å; N213-D217 PolarHBondContact O-N 3.39Å
214T59.6Low76.9Confident101 Ų10132.2 Ų32.262%0.6220%0.199SC*.Hα-helixtrans-63.5-36-171.5-42.90000114.6S212S212-T214 PolarHBondContact O-N 3.17Å; S212-T214 VanDerWaalsContact O-N 3.13Å
215S64.3Low76.7Confident17 Ų1735.4 Ų35.412%0.11922%0.216CC..Hα-helixtrans-80.8-31.3177.957.30000112D186 N213D186-S215 WeakPolarHBondContact OD1-CB 3.44Å; D186-S215 PolarHBondContact OD1-OG 3.29Å; N213-S215 PolarHBondContact O-N 2.82Å
216L70.7Confident76.6Confident2 Ų235.4 Ų35.41%0.0122%0.216CC..Hα-helixtrans-67.8-38.4177.4-62.6178.8000112.4L189 I211 N213 K218 V219 F220 I226 M347L189-L216 HydrophobicContact CD1-CD2 3.99Å; I211-L216 HydrophobicContact CB-CD1 4.14Å; I211-L216 HydrophobicContact CG2-CD1 3.53Å; I211-L216 HydrophobicContact CG2-CD2 3.89Å; I211-L216 HydrophobicContact CG2-CG 3.57Å; N213-L216 PolarHBondContact O-N 3.47Å; L216-K218 VanDerWaalsContact C-N 3.32Å; L216-K218 PolarHBondContact O-N 2.92Å; L216-V219 PolarHBondContact O-N 3.24Å; L216-F220 WeakPolarHBondContact O-CB 3.29Å; L216-F220 PolarHBondContact O-N 2.69Å; L216-I226 HydrophobicContact CD2-CG2 3.9Å; L216-M347 HydrophobicContact CB-CE 4.2Å; L216-M347 HydrophobicContact CB-CG 4.18Å; L216-M347 HydrophobicContact CB-SD 4.05Å; L216-M347 HydrophobicContact CD1-SD 4.26Å
217D74.9Confident76.5Confident76 Ų7635.4 Ų35.441%0.40622%0.216SC..Hα-helixtrans-60-40.5179.1-71.8-26000112.5N213 V219 F220 S221 M347N213-D217 VanDerWaalsContact O-CG 3.32Å; N213-D217 PolarHBondContact O-N 3.39Å; D217-V219 VanDerWaalsContact C-N 3.34Å; D217-V219 PolarHBondContact O-N 2.79Å; D217-F220 PolarHBondContact O-N 3.43Å; D217-S221 WeakPolarHBondContact O-CB 3.43Å; D217-S221 PolarHBondContact O-N 3.37Å; D217-M347 WeakPolarHBondContact OD1-CE 3.47Å
218K75.7Confident76.5Confident126 Ų12635.8 Ų35.855%0.54822%0.219SC..Hα-helixtrans-63.8-40.2179.2-68.9-180-179178.20111.8L216 S221L216-K218 VanDerWaalsContact C-N 3.32Å; L216-K218 PolarHBondContact O-N 2.92Å; K218-S221 PolarHBondContact O-OG 3.08Å
219V74.4Confident76.6Confident1 Ų135.8 Ų35.81%0.00622%0.219CC..Hα-helixtrans-74.4-42.8179.4-176.90000109.7L189 V192 V193 N198 Y204 L216 D217 S221 G222 I226L189-V219 HydrophobicContact CB-CG2 3.79Å; L189-V219 HydrophobicContact CD1-CG2 4.36Å; L189-V219 HydrophobicContact CD2-CG2 4.01Å; L189-V219 HydrophobicContact CG-CG2 4.24Å; V192-V219 HydrophobicContact CG1-CG1 4.45Å; V193-V219 HydrophobicContact CG2-CB 4.32Å; V193-V219 HydrophobicContact CG2-CG2 3.71Å; N198-V219 HydrophobicContact CB-CG1 4Å; N198-V219 WeakPolarHBondContact CB-O 3.46Å; Y204-V219 HydrophobicContact CD2-CG1 4.4Å; L216-V219 PolarHBondContact O-N 3.24Å; D217-V219 VanDerWaalsContact C-N 3.34Å; D217-V219 PolarHBondContact O-N 2.79Å; V219-S221 VanDerWaalsContact C-N 3.31Å; V219-S221 PolarHBondContact O-N 3.33Å; V219-G222 PolarHBondContact O-N 2.86Å; V219-G222 VanDerWaalsContact O-N 3.17Å; V219-I226 HydrophobicContact CB-CD1 3.5Å; V219-I226 VanDerWaalsContact CB-CD1 3.5Å; V219-I226 HydrophobicContact CG1-CD1 3.47Å; V219-I226 VanDerWaalsContact CG1-CD1 3.47Å; V219-I226 HydrophobicContact CG1-CG1 4.25Å
220F76.8Confident76.8Confident41 Ų4137.5 Ų37.518%0.1823%0.226CC..Hα-helixtrans-63.2-35.3179.1-177.4-98.7000112.8L216 D217 G222 G223 A224 I226 M347 K348 P349L216-F220 WeakPolarHBondContact O-CB 3.29Å; L216-F220 PolarHBondContact O-N 2.69Å; D217-F220 PolarHBondContact O-N 3.43Å; F220-G222 PolarHBondContact O-N 2.65Å; F220-G223 PolarHBondContact O-N 2.81Å; F220-A224 WeakPolarHBondContact CD2-O 3.5Å; F220-I226 HydrophobicContact CB-CD1 4.26Å; F220-M347 HydrophobicContact CB-CB 4.16Å; F220-M347 HydrophobicContact CD2-CB 3.52Å; F220-M347 HydrophobicContact CE2-CB 4.12Å; F220-M347 WeakPolarHBondContact CE2-O 3.29Å; F220-M347 HydrophobicContact CG-CB 3.87Å; F220-K348 VanDerWaalsContact CE1-C 3.49Å; F220-K348 VanDerWaalsContact CZ-C 3.48Å; F220-P349 HydrophobicContact CE1-CB 4.46Å; F220-P349 HydrophobicContact CE1-CG 4.19Å; F220-P349 HydrophobicContact CZ-CG 4.1Å
221S75.4Confident77.7Confident96 Ų9636.9 Ų36.967%0.67122%0.218SC*.THydrogen-bonded Turntrans-58-20.417768.40000114.2D217 K218 V219D217-S221 WeakPolarHBondContact O-CB 3.43Å; D217-S221 PolarHBondContact O-N 3.37Å; K218-S221 PolarHBondContact O-OG 3.08Å; V219-S221 VanDerWaalsContact C-N 3.31Å; V219-S221 PolarHBondContact O-N 3.33Å
222G71.3Confident78.8Confident28 Ų2836.8 Ų36.829%0.28922%0.217SC..THydrogen-bonded Turntrans-78.1-14.8172.600000115.1N198 T199 V219 F220N198-G222 CarbonylContact O-C 3.5Å; N198-G222 WeakPolarHBondContact O-CA 3.46Å; N198-G222 VanDerWaalsContact O-O 3.07Å; T199-G222 WeakPolarHBondContact CA-O 3.45Å; V219-G222 PolarHBondContact O-N 2.86Å; V219-G222 VanDerWaalsContact O-N 3.17Å; F220-G222 PolarHBondContact O-N 2.65Å
223G79.9Confident79.9Confident34 Ų3437.5 Ų37.535%0.35122%0.219SC..BIsolated β-bridgetrans97.68.8179.800000115.9N198 R200 F220N198-G223 PolarHBondContact O-N 2.74Å; R200-G223 WeakPolarHBondContact CA-O 3.15Å; F220-G223 PolarHBondContact O-N 2.81Å
224A86.8Confident80.8Confident0 Ų036.5 Ų36.50%022%0.217CC..  trans-76.5145.117000000111.8N198 Y202 Y204 F220N198-A224 WeakPolarHBondContact O-CB 3.3Å; N198-A224 PolarHBondContact O-N 3.37Å; Y202-A224 WeakPolarHBondContact O-CA 3.47Å; Y204-A224 HydrophobicContact CD2-CB 4.14Å; Y204-A224 HydrophobicContact CE2-CB 4.01Å; F220-A224 WeakPolarHBondContact CD2-O 3.5Å
225N88.9Confident82Confident69 Ų6937.4 Ų37.437%0.36922%0.218SC..EExtended strand (participates in β ladder)trans-79.5138.5172.6-73.52.4000109.7Y202 H203 Y204Y202-N225 PolarHBondContact O-N 2.98Å; H203-N225 VanDerWaalsContact CA-O 3.32Å; H203-N225 WeakPolarHBondContact CA-O 3.43Å; H203-N225 HydrophobicContact CB-CB 4.25Å; H203-N225 PolarHBondContact CD2-O 2.92Å; Y204-N225 PolarHBondContact N-O 3.3Å
226I90.1Very high83.1Confident1 Ų138 Ų381%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-135.1129.7177.8-48.3170.4000109.6Y204 V206 L216 V219 F220 E346 M347Y204-I226 VanDerWaalsContact O-CA 3.3Å; Y204-I226 WeakPolarHBondContact O-CA 3Å; V206-I226 HydrophobicContact CG2-CG2 4.3Å; L216-I226 HydrophobicContact CD2-CG2 3.9Å; V219-I226 HydrophobicContact CB-CD1 3.5Å; V219-I226 VanDerWaalsContact CB-CD1 3.5Å; V219-I226 HydrophobicContact CG1-CD1 3.47Å; V219-I226 VanDerWaalsContact CG1-CD1 3.47Å; V219-I226 HydrophobicContact CG1-CG1 4.25Å; F220-I226 HydrophobicContact CB-CD1 4.26Å; I226-E346 WeakPolarHBondContact O-CA 3.47Å; I226-M347 HydrophobicContact CB-CB 4.4Å; I226-M347 HydrophobicContact CB-CG 4.14Å; I226-M347 PolarHBondContact O-N 3.11Å
227T90.6Very high84Confident0 Ų041.9 Ų41.90%025%0.247CC..EExtended strand (participates in β ladder)trans-120.4139.2174.754.60000110Y116 Y204 I205 V206 Y345 E346Y116-T227 HydrophobicContact CE2-CG2 3.97Å; Y116-T227 WeakPolarHBondContact OH-CG2 3.49Å; Y204-T227 PolarHBondContact O-N 3.09Å; I205-T227 WeakPolarHBondContact CG1-OG1 3.18Å; V206-T227 PolarHBondContact N-O 3.18Å; T227-Y345 WeakPolarHBondContact CA-O 3.49Å; T227-E346 HydrophobicContact CG2-CB 4.36Å; T227-E346 HydrophobicContact CG2-CG 3.98Å
228S90Very high84.6Confident9 Ų941.5 Ų41.56%0.06324%0.244CC..EExtended strand (participates in β ladder)trans-137.5161-178.660.40000110.8Y345S228-Y345 PolarHBondContact N-O 2.9Å; S228-Y345 PolarHBondContact O-N 3.4Å
229F90.4Very high85.3Confident1 Ų135.6 Ų35.60%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-106.2142.9174.1-55.9-86000109.7L105 A108 I109 L112 I205 V206 N208 L209 I342 D343 V344L105-F229 HydrophobicContact CD1-CB 4.14Å; L105-F229 HydrophobicContact CD1-CD1 4.1Å; L105-F229 HydrophobicContact CD1-CD2 4.08Å; L105-F229 HydrophobicContact CD1-CG 3.85Å; L105-F229 HydrophobicContact CD2-CD2 4.2Å; A108-F229 HydrophobicContact CB-CD1 4.38Å; A108-F229 HydrophobicContact CB-CE1 4Å; I109-F229 HydrophobicContact CG1-CE2 3.94Å; I109-F229 HydrophobicContact CG1-CZ 3.96Å; L112-F229 HydrophobicContact CB-CZ 4.38Å; L112-F229 HydrophobicContact CD2-CE1 3.95Å; L112-F229 HydrophobicContact CD2-CE2 4.33Å; L112-F229 HydrophobicContact CD2-CZ 3.5Å; I205-F229 HydrophobicContact CG2-CE2 4.1Å; I205-F229 HydrophobicContact CG2-CZ 4.5Å; V206-F229 WeakPolarHBondContact O-CD2 3.46Å; N208-F229 CarbonylContact O-C 3.58Å; N208-F229 WeakPolarHBondContact O-CB 3.41Å; L209-F229 CarbonylContact C-O 3.5Å; F229-I342 HydrophobicContact CB-CG2 3.82Å; F229-I342 HydrophobicContact CD1-CG2 3.97Å; F229-I342 HydrophobicContact CG-CG2 4.34Å; F229-D343 WeakPolarHBondContact CA-O 3.43Å; F229-V344 HydrophobicContact CD1-CG2 3.92Å; F229-V344 HydrophobicContact CE1-CG2 3.98Å
230Q89.1Confident86Confident41 Ų4139.9 Ų39.919%0.19224%0.239CC..EExtended strand (participates in β ladder)trans-137.7127.1178.5-172.2166.3-11.700109.8L209 I232 D343 Y345L209-Q230 WeakPolarHBondContact O-CA 3.48Å; Q230-I232 VanDerWaalsContact CG-O 3.26Å; Q230-I232 WeakPolarHBondContact CG-O 3.45Å; Q230-I232 PolarHBondContact NE2-O 3.39Å; Q230-D343 PolarHBondContact N-O 2.97Å; Q230-D343 WeakPolarHBondContact O-CB 3.39Å; Q230-D343 PolarHBondContact O-N 2.82Å; Q230-Y345 HydrophobicContact CB-CD2 3.63Å; Q230-Y345 HydrophobicContact CB-CE2 3.66Å; Q230-Y345 HydrophobicContact CG-CE2 4.19Å
231I90.2Very high86.6Confident8 Ų843.5 Ų43.54%0.04126%0.256CS..SBendtrans-94.2-26.5176.8-164.3173.2000112.7P103 L209 T326P103-I231 HydrophobicContact CG-CD1 3.51Å; L209-I231 HydrophobicContact CB-CB 4.36Å; L209-I231 HydrophobicContact CB-CG2 4.1Å; L209-I231 HydrophobicContact CD1-CD1 4.48Å; L209-I231 HydrophobicContact CD2-CB 4.39Å; L209-I231 PolarHBondContact O-N 2.9Å; L209-I231 VanDerWaalsContact O-N 3.14Å; I231-T326 HydrophobicContact CD1-CG2 3.96Å; I231-T326 HydrophobicContact CG1-CG2 4.12Å; I231-T326 HydrophobicContact CG2-CG2 4.2Å
232I89.4Confident87.2Confident17 Ų1739.4 Ų39.49%0.08723%0.226CC..SBendtrans-91.4115179.2-59.9164000108.4Q230 P234 V239 A267Q230-I232 VanDerWaalsContact CG-O 3.26Å; Q230-I232 WeakPolarHBondContact CG-O 3.45Å; Q230-I232 PolarHBondContact NE2-O 3.39Å; I232-P234 WeakPolarHBondContact O-CD 3.39Å; I232-V239 HydrophobicContact CG2-CG1 3.76Å; I232-V239 HydrophobicContact CG2-CG2 3.99Å; I232-A267 HydrophobicContact CD1-CB 3.62Å; I232-A267 HydrophobicContact CG1-CB 4Å
233N86.6Confident88Confident43 Ų4340.5 Ų40.523%0.2323%0.225CC..  trans-83.3113170.5-177-4.3000110.2D235 S236N233-D235 PolarHBondContact O-N 3.18Å; N233-D235 WeakPolarHBondContact OD1-CB 3.37Å; N233-D235 PolarHBondContact OD1-N 3.23Å; N233-S236 WeakPolarHBondContact O-CB 3.41Å; N233-S236 PolarHBondContact O-N 3.09Å
234P81.8Confident88.4Confident55 Ų5543.9 Ų43.936%0.35723%0.232SC..THydrogen-bonded Turntrans-66.3-19.8179.429.2-35.3000113.4I232 S236 Q240I232-P234 WeakPolarHBondContact O-CD 3.39Å; P234-S236 VanDerWaalsContact C-N 3.28Å; P234-S236 PolarHBondContact O-N 3.44Å; P234-Q240 WeakPolarHBondContact O-CG 3.3Å; P234-Q240 PolarHBondContact O-NE2 3.35Å
235D84Confident88.4Confident120 Ų12049.7 Ų49.764%0.64225%0.254SS*.THydrogen-bonded Turntrans-82-8.2179.1-56.9-37.3000112.4N233N233-D235 PolarHBondContact O-N 3.18Å; N233-D235 WeakPolarHBondContact OD1-CB 3.37Å; N233-D235 PolarHBondContact OD1-N 3.23Å
236S87.7Confident88.4Confident30 Ų3046.7 Ų46.721%0.2124%0.238CC..  trans-69.5133.7179.3176.40000111.5N233 P234 I238 V239 Q240N233-S236 WeakPolarHBondContact O-CB 3.41Å; N233-S236 PolarHBondContact O-N 3.09Å; P234-S236 VanDerWaalsContact C-N 3.28Å; P234-S236 PolarHBondContact O-N 3.44Å; S236-I238 VanDerWaalsContact C-N 3.26Å; S236-I238 PolarHBondContact O-N 3.28Å; S236-V239 PolarHBondContact O-N 2.99Å; S236-V239 VanDerWaalsContact O-N 3.12Å; S236-Q240 WeakPolarHBondContact O-CG 3.48Å; S236-Q240 PolarHBondContact O-N 2.91Å
237P89.2Confident88.2Confident84 Ų8452.7 Ų52.755%0.54527%0.266SS..Hα-helixtrans-63.3-32.3-179.826-34.4000112.3V239 Q240 Q241P237-V239 VanDerWaalsContact C-N 3.34Å; P237-Q240 PolarHBondContact O-N 3.06Å; P237-Q241 WeakPolarHBondContact O-CB 3.31Å; P237-Q241 VanDerWaalsContact O-CG 3.23Å; P237-Q241 WeakPolarHBondContact O-CG 3.41Å; P237-Q241 PolarHBondContact O-N 3.22Å
238I89.1Confident88Confident67 Ų6762.2 Ų62.234%0.34430%0.302SS..Hα-helixtrans-63.6-44.1176.9-61.1174000109.9S236 F242 P323S236-I238 VanDerWaalsContact C-N 3.26Å; S236-I238 PolarHBondContact O-N 3.28Å; I238-F242 WeakPolarHBondContact O-CB 3.11Å; I238-F242 PolarHBondContact O-N 3.49Å; I238-P323 HydrophobicContact CD1-CB 4.16Å
239V89.4Confident87.8Confident2 Ų263.3 Ų63.31%0.01231%0.307CS..Hα-helixtrans-68.9-44.2-179.8177.50000110.3I232 S236 P237 Q241 F242 L243 M325I232-V239 HydrophobicContact CG2-CG1 3.76Å; I232-V239 HydrophobicContact CG2-CG2 3.99Å; S236-V239 PolarHBondContact O-N 2.99Å; S236-V239 VanDerWaalsContact O-N 3.12Å; P237-V239 VanDerWaalsContact C-N 3.34Å; V239-Q241 PolarHBondContact O-N 2.93Å; V239-F242 PolarHBondContact O-N 2.98Å; V239-L243 HydrophobicContact CG1-CD1 3.88Å; V239-L243 HydrophobicContact CG1-CG 4.24Å; V239-L243 WeakPolarHBondContact O-CB 3.5Å; V239-L243 VanDerWaalsContact O-CG 3.32Å; V239-L243 WeakPolarHBondContact O-CG 3.48Å; V239-L243 PolarHBondContact O-N 3.23Å; V239-M325 HydrophobicContact CG2-CB 4.17Å; V239-M325 HydrophobicContact CG2-CG 4.35Å
240Q89.8Confident87.5Confident92 Ų9267.8 Ų67.843%0.4333%0.33SS..Hα-helixtrans-61.7-44177.3-69.8-177.1-5.300112.5P234 S236 P237 F242 L243 Q244P234-Q240 WeakPolarHBondContact O-CG 3.3Å; P234-Q240 PolarHBondContact O-NE2 3.35Å; S236-Q240 WeakPolarHBondContact O-CG 3.48Å; S236-Q240 PolarHBondContact O-N 2.91Å; P237-Q240 PolarHBondContact O-N 3.06Å; Q240-F242 VanDerWaalsContact C-N 3.31Å; Q240-F242 PolarHBondContact O-N 3.46Å; Q240-L243 PolarHBondContact O-N 3.47Å; Q240-Q244 WeakPolarHBondContact O-CB 3.35Å; Q240-Q244 VanDerWaalsContact O-CG 3.27Å; Q240-Q244 WeakPolarHBondContact O-CG 3.13Å; Q240-Q244 PolarHBondContact O-N 3.05Å
241Q88.8Confident87.2Confident116 Ų11670.4 Ų70.454%0.54234%0.343SS..Hα-helixtrans-63.4-38.9176.2-74.3177.213.400112P237 V239 R245P237-Q241 WeakPolarHBondContact O-CB 3.31Å; P237-Q241 VanDerWaalsContact O-CG 3.23Å; P237-Q241 WeakPolarHBondContact O-CG 3.41Å; P237-Q241 PolarHBondContact O-N 3.22Å; V239-Q241 PolarHBondContact O-N 2.93Å; Q241-R245 WeakPolarHBondContact O-CG 3.38Å; Q241-R245 PolarHBondContact O-N 2.96Å
242F88.9Confident86.9Confident10 Ų1081.1 Ų81.14%0.04438%0.383CS..Hα-helixtrans-64.5-50.9174.5176.9-97.2000111.5F13 I238 V239 Q240 Q244 R245 W246 L262 H270 M325F13-F242 HydrophobicContact CD1-CD2 4.39Å; F13-F242 AromaticContact CD1-CE2 3.55Å; F13-F242 HydrophobicContact CD1-CE2 3.55Å; F13-F242 HydrophobicContact CD1-CZ 4.21Å; F13-F242 AromaticContact CE1-CD2 3.78Å; F13-F242 HydrophobicContact CE1-CD2 3.78Å; F13-F242 AromaticContact CE1-CE2 3.39Å; F13-F242 HydrophobicContact CE1-CE2 3.39Å; F13-F242 HydrophobicContact CE1-CZ 4.3Å; I238-F242 WeakPolarHBondContact O-CB 3.11Å; I238-F242 PolarHBondContact O-N 3.49Å; V239-F242 PolarHBondContact O-N 2.98Å; Q240-F242 VanDerWaalsContact C-N 3.31Å; Q240-F242 PolarHBondContact O-N 3.46Å; F242-Q244 VanDerWaalsContact C-N 3.31Å; F242-Q244 PolarHBondContact O-N 3.07Å; F242-R245 CarbonylContact O-C 3.59Å; F242-R245 PolarHBondContact O-N 3.35Å; F242-W246 HydrophobicContact CD1-CB 4.28Å; F242-W246 HydrophobicContact CE1-CB 4.02Å; F242-W246 HydrophobicContact CE1-CD2 4.04Å; F242-W246 HydrophobicContact CE1-CE3 4.13Å; F242-W246 HydrophobicContact CE1-CG 4.01Å; F242-W246 HydrophobicContact CE2-CE3 4.31Å; F242-W246 HydrophobicContact CZ-CB 4.42Å; F242-W246 AromaticContact CZ-CD2 3.98Å; F242-W246 HydrophobicContact CZ-CD2 3.98Å; F242-W246 AromaticContact CZ-CE3 3.59Å; F242-W246 HydrophobicContact CZ-CE3 3.59Å; F242-W246 HydrophobicContact CZ-CG 4.36Å; F242-W246 HydrophobicContact CZ-CZ3 4.23Å; F242-W246 VanDerWaalsContact O-CB 3.29Å; F242-W246 WeakPolarHBondContact O-CB 3.12Å; F242-W246 PolarHBondContact O-N 3.37Å; F242-L262 HydrophobicContact CD1-CD2 4.08Å; F242-L262 HydrophobicContact CE1-CD1 4Å; F242-L262 HydrophobicContact CE1-CD2 3.76Å; F242-H270 AromaticContact CE2-CD2 3.55Å; F242-M325 HydrophobicContact CB-CE 3.74Å; F242-M325 HydrophobicContact CD1-CE 3.57Å; F242-M325 HydrophobicContact CD1-SD 3.91Å; F242-M325 HydrophobicContact CD2-CE 3.06Å; F242-M325 HydrophobicContact CD2-SD 4.41Å; F242-M325 HydrophobicContact CE1-CE 3.86Å; F242-M325 HydrophobicContact CE1-SD 4.16Å; F242-M325 HydrophobicContact CE2-CE 3.35Å; F242-M325 HydrophobicContact CG-CE 3.15Å; F242-M325 HydrophobicContact CG-SD 4.05Å; F242-M325 HydrophobicContact CZ-CE 3.76Å; F242-M325 HydrophobicContact CZ-SD 4.49Å
243L87.6Confident86.6Confident51 Ų5184.5 Ų84.527%0.26740%0.398SS..Hα-helixtrans-58.3-42.3-179.6-71.6173.5000111.7V239 Q240 R245 W246 E247 L262V239-L243 HydrophobicContact CG1-CD1 3.88Å; V239-L243 HydrophobicContact CG1-CG 4.24Å; V239-L243 WeakPolarHBondContact O-CB 3.5Å; V239-L243 VanDerWaalsContact O-CG 3.32Å; V239-L243 WeakPolarHBondContact O-CG 3.48Å; V239-L243 PolarHBondContact O-N 3.23Å; Q240-L243 PolarHBondContact O-N 3.47Å; L243-R245 VanDerWaalsContact C-N 3.26Å; L243-R245 PolarHBondContact O-N 3.48Å; L243-W246 PolarHBondContact O-N 2.77Å; L243-E247 WeakPolarHBondContact O-CB 3.46Å; L243-E247 WeakPolarHBondContact O-CG 3.48Å; L243-E247 PolarHBondContact O-N 3.19Å; L243-L262 HydrophobicContact CD2-CB 4.25Å; L243-L262 HydrophobicContact CD2-CD2 4.18Å
244Q88Confident86.5Confident105 Ų10582.6 Ų82.649%0.49139%0.388SS..Hα-helixtrans-59.6-34175.1-75.4176.59.600113.5Q240 F242 R248Q240-Q244 WeakPolarHBondContact O-CB 3.35Å; Q240-Q244 VanDerWaalsContact O-CG 3.27Å; Q240-Q244 WeakPolarHBondContact O-CG 3.13Å; Q240-Q244 PolarHBondContact O-N 3.05Å; F242-Q244 VanDerWaalsContact C-N 3.31Å; F242-Q244 PolarHBondContact O-N 3.07Å; Q244-R248 VanDerWaalsContact O-CD 3.31Å; Q244-R248 WeakPolarHBondContact O-CD 3.33Å; Q244-R248 VanDerWaalsContact O-CG 3.27Å; Q244-R248 WeakPolarHBondContact O-CG 3.48Å; Q244-R248 PolarHBondContact O-NE 2.01Å
245R87.8Confident86.6Confident123 Ų12382.5 Ų82.546%0.46439%0.387SS..Hα-helixtrans-81-39.8176.2-68.9177.3-177.1-163.10.3111.3F13 Q241 F242 L243 R248F13-R245 HydrophobicContact CZ-CB 4.03Å; Q241-R245 WeakPolarHBondContact O-CG 3.38Å; Q241-R245 PolarHBondContact O-N 2.96Å; F242-R245 CarbonylContact O-C 3.59Å; F242-R245 PolarHBondContact O-N 3.35Å; L243-R245 VanDerWaalsContact C-N 3.26Å; L243-R245 PolarHBondContact O-N 3.48Å; R245-R248 PolarHBondContact O-N 3.14Å
246W87.6Confident86.5Confident5 Ų579.5 Ų79.52%0.01937%0.369CS..Hα-helixtrans-60.3-45.4179.7-173.8-104.2000111.8Q6 A10 F13 F242 L243 R248 L249 A257Q6-W246 HydrophobicContact CG-CZ2 4.07Å; A10-W246 HydrophobicContact CB-CH2 4.06Å; A10-W246 HydrophobicContact CB-CZ3 4.31Å; F13-W246 HydrophobicContact CB-CZ3 3.97Å; F13-W246 HydrophobicContact CD1-CE3 4.05Å; F13-W246 HydrophobicContact CD1-CZ3 4.21Å; F13-W246 HydrophobicContact CG-CE3 4.3Å; F13-W246 HydrophobicContact CG-CZ3 4.2Å; F242-W246 HydrophobicContact CD1-CB 4.28Å; F242-W246 HydrophobicContact CE1-CB 4.02Å; F242-W246 HydrophobicContact CE1-CD2 4.04Å; F242-W246 HydrophobicContact CE1-CE3 4.13Å; F242-W246 HydrophobicContact CE1-CG 4.01Å; F242-W246 HydrophobicContact CE2-CE3 4.31Å; F242-W246 HydrophobicContact CZ-CB 4.42Å; F242-W246 AromaticContact CZ-CD2 3.98Å; F242-W246 HydrophobicContact CZ-CD2 3.98Å; F242-W246 AromaticContact CZ-CE3 3.59Å; F242-W246 HydrophobicContact CZ-CE3 3.59Å; F242-W246 HydrophobicContact CZ-CG 4.36Å; F242-W246 HydrophobicContact CZ-CZ3 4.23Å; F242-W246 VanDerWaalsContact O-CB 3.29Å; F242-W246 WeakPolarHBondContact O-CB 3.12Å; F242-W246 PolarHBondContact O-N 3.37Å; L243-W246 PolarHBondContact O-N 2.77Å; W246-R248 PolarHBondContact O-N 2.71Å; W246-L249 HydrophobicContact CD2-CD1 4.29Å; W246-L249 HydrophobicContact CE3-CD1 3.61Å; W246-L249 HydrophobicContact CZ3-CD1 3.92Å; W246-L249 WeakPolarHBondContact O-CB 3.4Å; W246-L249 PolarHBondContact O-N 3.29Å; W246-A257 VanDerWaalsContact CD1-O 3.22Å; W246-A257 HydrophobicContact CD2-CB 4.39Å; W246-A257 HydrophobicContact CH2-CB 4.37Å; W246-A257 HydrophobicContact CZ2-CB 3.86Å; W246-A257 PolarHBondContact NE1-O 3.33Å
247E85.4Confident86.1Confident127 Ų12778.1 Ų78.159%0.59336%0.36SS*.THydrogen-bonded Turntrans-66.7-19.9178-72.7178.2179.300114.1L243L243-E247 WeakPolarHBondContact O-CB 3.46Å; L243-E247 WeakPolarHBondContact O-CG 3.48Å; L243-E247 PolarHBondContact O-N 3.19Å
248R86.5Confident85.4Confident200 Ų20078.9 Ų78.976%0.75536%0.355SS*.THydrogen-bonded Turntrans-86.8-9.8178.5-68.9174.7-172177.73.9113.3Q244 R245 W246Q244-R248 VanDerWaalsContact O-CD 3.31Å; Q244-R248 WeakPolarHBondContact O-CD 3.33Å; Q244-R248 VanDerWaalsContact O-CG 3.27Å; Q244-R248 WeakPolarHBondContact O-CG 3.48Å; Q244-R248 PolarHBondContact O-NE 2.01Å; R245-R248 PolarHBondContact O-N 3.14Å; W246-R248 PolarHBondContact O-N 2.71Å
249L86.3Confident84.7Confident33 Ų3382.9 Ų82.917%0.17338%0.377CS..SBendtrans-68.4147.9179.4-64.8173.6000111.2F13 W246 E251 F254 A257F13-L249 HydrophobicContact CB-CD1 4.43Å; F13-L249 HydrophobicContact CD2-CD1 3.58Å; F13-L249 HydrophobicContact CD2-CD2 3.86Å; F13-L249 HydrophobicContact CD2-CG 4.3Å; F13-L249 HydrophobicContact CE2-CD1 3.95Å; F13-L249 HydrophobicContact CE2-CD2 3.84Å; F13-L249 HydrophobicContact CE2-CG 4.32Å; F13-L249 HydrophobicContact CG-CD1 3.97Å; W246-L249 HydrophobicContact CD2-CD1 4.29Å; W246-L249 HydrophobicContact CE3-CD1 3.61Å; W246-L249 HydrophobicContact CZ3-CD1 3.92Å; W246-L249 WeakPolarHBondContact O-CB 3.4Å; W246-L249 PolarHBondContact O-N 3.29Å; L249-E251 PolarHBondContact O-N 3.45Å; L249-F254 HydrophobicContact CB-CB 4.34Å; L249-F254 HydrophobicContact CB-CD2 4.01Å; L249-F254 HydrophobicContact CB-CG 4.4Å; L249-F254 HydrophobicContact CD1-CB 4.39Å; L249-F254 HydrophobicContact CD1-CD1 4.45Å; L249-F254 HydrophobicContact CD1-CD2 4.14Å; L249-F254 HydrophobicContact CD1-CG 4.07Å; L249-F254 HydrophobicContact CD2-CD2 4.09Å; L249-F254 HydrophobicContact CD2-CE2 4.07Å; L249-F254 HydrophobicContact CG-CD2 4.3Å; L249-A257 HydrophobicContact CB-CB 4.31Å
250D84.4Confident84Confident94 Ų9485.6 Ų85.650%0.50339%0.393SS..  trans-73.7125.1173.3-172.22.3000109.7R252 E253 F254D250-R252 PolarHBondContact O-N 2.88Å; D250-R252 PolarHBondContact OD1-N 2.87Å; D250-E253 PolarHBondContact O-N 2.78Å; D250-E253 VanDerWaalsContact O-N 3.09Å; D250-F254 PolarHBondContact O-N 3.24Å
251E83.6Confident83.5Confident97 Ų9785.5 Ų85.545%0.45340%0.401SS..THydrogen-bonded Turntrans-63-23.8-179.7-169.9173.6-172.100112.2L249 F254L249-E251 PolarHBondContact O-N 3.45Å; E251-F254 CarbonylContact O-C 3.41Å
252R82.8Confident83.3Confident233 Ų23381.5 Ų81.588%0.87938%0.383SS*.THydrogen-bonded Turntrans-69.4-35.2174.7-66.1-179.7174.7-177.5-0.2112.9D250D250-R252 PolarHBondContact O-N 2.88Å; D250-R252 PolarHBondContact OD1-N 2.87Å
253E83.4Confident83.3Confident87 Ų8784.1 Ų84.141%0.40739%0.394SS..THydrogen-bonded Turntrans-88.5-36.5179.2-169.2-179.2176.600111.4R12 D250R12-E253 PolarHBondContact NH1-O 2.93Å; R12-E253 IonicContact NH2-OE1 2.88Å; D250-E253 PolarHBondContact O-N 2.78Å; D250-E253 VanDerWaalsContact O-N 3.09Å
254F85.4Confident83.4Confident3 Ų382.4 Ų82.41%0.01338%0.384CS..SBendtrans-122.987.3-179.4-62.6-84.7000110.3R12 F13 L249 D250 E251 A257R12-F254 HydrophobicContact CB-CE1 3.9Å; F13-F254 HydrophobicContact CB-CD1 4.38Å; F13-F254 HydrophobicContact CB-CE1 3.92Å; L249-F254 HydrophobicContact CB-CB 4.34Å; L249-F254 HydrophobicContact CB-CD2 4.01Å; L249-F254 HydrophobicContact CB-CG 4.4Å; L249-F254 HydrophobicContact CD1-CB 4.39Å; L249-F254 HydrophobicContact CD1-CD1 4.45Å; L249-F254 HydrophobicContact CD1-CD2 4.14Å; L249-F254 HydrophobicContact CD1-CG 4.07Å; L249-F254 HydrophobicContact CD2-CD2 4.09Å; L249-F254 HydrophobicContact CD2-CE2 4.07Å; L249-F254 HydrophobicContact CG-CD2 4.3Å; D250-F254 PolarHBondContact O-N 3.24Å; E251-F254 CarbonylContact O-C 3.41Å; F254-A257 HydrophobicContact CB-CB 3.81Å; F254-A257 WeakPolarHBondContact O-CB 3.25Å; F254-A257 PolarHBondContact O-N 3.27Å
255P83.9Confident83.5Confident53 Ų5377.7 Ų77.734%0.34436%0.363SS..THydrogen-bonded Turntrans-62.3147176.726.3-35.4000111.1V5 S9 A257V5-P255 HydrophobicContact CG1-CB 3.65Å; V5-P255 HydrophobicContact CG1-CG 3.5Å; V5-P255 VanDerWaalsContact CG1-CG 3.5Å; S9-P255 VanDerWaalsContact OG-CD 3.29Å; S9-P255 WeakPolarHBondContact OG-CD 3.33Å; S9-P255 PolarHBondContact OG-O 3.2Å; P255-A257 PolarHBondContact O-N 3.03Å
256E81.6Confident83.7Confident57 Ų5771.8 Ų71.827%0.26634%0.341SS..THydrogen-bonded Turntrans5922.1-175-59-179.1-166.200113.9V5 Q6 T260 K263V5-E256 HydrophobicContact CG1-CG 4.28Å; Q6-E256 HydrophobicContact CB-CB 3.93Å; Q6-E256 WeakPolarHBondContact CB-OE2 3.37Å; Q6-E256 HydrophobicContact CG-CB 4.1Å; Q6-E256 PolarHBondContact NE2-O 3.26Å; Q6-E256 VanDerWaalsContact NE2-O 3.11Å; E256-T260 PolarHBondContact O-OG1 3.04Å; E256-K263 IonicContact OE2-NZ 3.87Å; E256-K263 PolarHBondContact OE2-NZ 3.09Å
257A77.8Confident83.9Confident2 Ų271.6 Ų71.62%0.01734%0.34CS..SBendtrans-82.7-33.9172.100000113W246 L249 F254 P255W246-A257 VanDerWaalsContact CD1-O 3.22Å; W246-A257 HydrophobicContact CD2-CB 4.39Å; W246-A257 HydrophobicContact CH2-CB 4.37Å; W246-A257 HydrophobicContact CZ2-CB 3.86Å; W246-A257 PolarHBondContact NE1-O 3.33Å; L249-A257 HydrophobicContact CB-CB 4.31Å; F254-A257 HydrophobicContact CB-CB 3.81Å; F254-A257 WeakPolarHBondContact O-CB 3.25Å; F254-A257 PolarHBondContact O-N 3.27Å; P255-A257 PolarHBondContact O-N 3.03Å
258K76.3Confident84.3Confident100 Ų10065.5 Ų65.544%0.43531%0.311SS..SBendtrans-106.9148.2-177.8-158172.3-176.91750110.9T260K258-T260 PolarHBondContact O-N 3.23Å
259N72.6Confident84.7Confident150 Ų15056 Ų5680%0.80228%0.276SS*.SBendtrans60.111.1175-56.7-35.1000117
260T75.4Confident85Confident59 Ų5954.9 Ų54.936%0.36227%0.269SS..SBendtrans-127.3140.7176.152.20000110.1E256 K258E256-T260 PolarHBondContact O-OG1 3.04Å; K258-T260 PolarHBondContact O-N 3.23Å
261P79.8Confident85.5Confident90 Ų9050.4 Ų50.458%0.58425%0.246SC*.PPolyproline II helixtrans-66145177.727.8-33.5000110.4Q6 K263Q6-P261 PolarHBondContact NE2-O 3.47Å; Q6-P261 VanDerWaalsContact NE2-O 3.1Å; P261-K263 PolarHBondContact O-N 2.96Å
262L85Confident86Confident32 Ų3245.8 Ų45.817%0.16822%0.224CC..PPolyproline II helixtrans-67119.9176.8-176.767.6000110.1F242 L243 A267 M325F242-L262 HydrophobicContact CD1-CD2 4.08Å; F242-L262 HydrophobicContact CE1-CD1 4Å; F242-L262 HydrophobicContact CE1-CD2 3.76Å; L243-L262 HydrophobicContact CD2-CB 4.25Å; L243-L262 HydrophobicContact CD2-CD2 4.18Å; L262-A267 HydrophobicContact CD2-CB 4.38Å; L262-M325 HydrophobicContact CD2-SD 4.36Å
263K87.4Confident86.6Confident66 Ų6635 Ų3529%0.28718%0.184SC..PPolyproline II helixtrans-69.6145.1173.2-63.8170.9-167.7168.90110.3Q6 E7 E256 P261 T265 S266 A267Q6-K263 VanDerWaalsContact OE1-CB 3.28Å; E7-K263 IonicContact OE2-NZ 2.71Å; E256-K263 IonicContact OE2-NZ 3.87Å; E256-K263 PolarHBondContact OE2-NZ 3.09Å; P261-K263 PolarHBondContact O-N 2.96Å; K263-T265 WeakPolarHBondContact CB-OG1 3.23Å; K263-T265 PolarHBondContact O-N 2.76Å; K263-S266 WeakPolarHBondContact O-CB 3.38Å; K263-S266 PolarHBondContact O-N 3.13Å; K263-S266 VanDerWaalsContact O-N 3.08Å; K263-A267 PolarHBondContact O-N 3.3Å; K263-A267 VanDerWaalsContact O-N 3.13Å
264Y89.4Confident87Confident14 Ų1431.8 Ų31.86%0.05517%0.169CC..Hα-helixtrans-61.9-28.9173.878.3-89.1000112.6R102 V182 N208 L209 A267 L268R102-Y264 PolarHBondContact NH1-OH 3.48Å; V182-Y264 HydrophobicContact CG2-CE1 4.38Å; N208-Y264 WeakPolarHBondContact OD1-CE1 3.13Å; N208-Y264 PolarHBondContact OD1-OH 2.74Å; L209-Y264 HydrophobicContact CB-CD1 4.37Å; L209-Y264 HydrophobicContact CB-CD2 3.91Å; L209-Y264 HydrophobicContact CB-CE2 4.15Å; L209-Y264 HydrophobicContact CB-CG 4.03Å; L209-Y264 HydrophobicContact CD1-CD2 4.36Å; L209-Y264 HydrophobicContact CD1-CE2 4.27Å; Y264-A267 PolarHBondContact O-N 3.4Å; Y264-L268 HydrophobicContact CD2-CD1 3.86Å; Y264-L268 HydrophobicContact CE2-CD1 4.17Å; Y264-L268 VanDerWaalsContact O-CG 3.29Å; Y264-L268 WeakPolarHBondContact O-CG 3.26Å; Y264-L268 PolarHBondContact O-N 2.96Å
265T90.7Very high87.4Confident6 Ų631.7 Ų31.74%0.03717%0.169CC..Hα-helixtrans-66.1-37.3174.647.70000112.1E7 K263 T269E7-T265 WeakPolarHBondContact OE1-CB 3.47Å; E7-T265 PolarHBondContact OE1-OG1 2.81Å; K263-T265 WeakPolarHBondContact CB-OG1 3.23Å; K263-T265 PolarHBondContact O-N 2.76Å; T265-T269 WeakPolarHBondContact O-CB 3.28Å; T265-T269 PolarHBondContact O-N 3.5Å; T265-T269 PolarHBondContact O-OG1 2.83Å
266S91.3Very high87.8Confident0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-67.4-41.6174-54.30000111.2Q6 K263 T269 H270Q6-S266 PolarHBondContact OE1-OG 3.31Å; K263-S266 WeakPolarHBondContact O-CB 3.38Å; K263-S266 PolarHBondContact O-N 3.13Å; K263-S266 VanDerWaalsContact O-N 3.08Å; S266-T269 WeakPolarHBondContact O-CB 3.33Å; S266-T269 PolarHBondContact O-N 3.14Å; S266-H270 PolarHBondContact O-N 3.2Å
267A92.1Very high88.2Confident0 Ų027.1 Ų27.10%014%0.143CC..Hα-helixtrans-64-43.6174.100000112.4I232 L262 K263 Y264 T269 H270 D271 M325I232-A267 HydrophobicContact CD1-CB 3.62Å; I232-A267 HydrophobicContact CG1-CB 4Å; L262-A267 HydrophobicContact CD2-CB 4.38Å; K263-A267 PolarHBondContact O-N 3.3Å; K263-A267 VanDerWaalsContact O-N 3.13Å; Y264-A267 PolarHBondContact O-N 3.4Å; A267-T269 VanDerWaalsContact C-N 3.26Å; A267-T269 PolarHBondContact O-N 3.17Å; A267-H270 PolarHBondContact O-N 2.68Å; A267-D271 WeakPolarHBondContact O-CB 3.31Å; A267-D271 PolarHBondContact O-N 3.42Å; A267-M325 HydrophobicContact CB-CB 4.22Å; A267-M325 HydrophobicContact CB-SD 3.97Å
268L94.3Very high88.8Confident0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-61.7-34.8173.3-72.1173.8000112.3P87 M101 R102 Y264 D271 A272 T326P87-L268 HydrophobicContact CB-CB 3.7Å; P87-L268 HydrophobicContact CB-CD1 4.29Å; M101-L268 HydrophobicContact CB-CB 4.38Å; M101-L268 HydrophobicContact CB-CD2 4.1Å; M101-L268 VanDerWaalsContact O-CD2 3.27Å; M101-L268 WeakPolarHBondContact O-CD2 3.38Å; R102-L268 HydrophobicContact CB-CD1 4.08Å; R102-L268 HydrophobicContact CG-CD1 4.24Å; Y264-L268 HydrophobicContact CD2-CD1 3.86Å; Y264-L268 HydrophobicContact CE2-CD1 4.17Å; Y264-L268 VanDerWaalsContact O-CG 3.29Å; Y264-L268 WeakPolarHBondContact O-CG 3.26Å; Y264-L268 PolarHBondContact O-N 2.96Å; L268-D271 PolarHBondContact O-N 3.41Å; L268-A272 WeakPolarHBondContact O-CB 3.49Å; L268-A272 PolarHBondContact O-N 3.1Å; L268-T326 HydrophobicContact CD2-CG2 3.72Å; L268-T326 HydrophobicContact CG-CG2 4.29Å
269T94.8Very high89.6Confident1 Ų124.3 Ų24.31%0.00613%0.131CC..Hα-helixtrans-66.6-44.4176.1-62.10000111.1F11 F62 T265 S266 A267 A272 I273F11-T269 HydrophobicContact CB-CG2 3.72Å; F11-T269 HydrophobicContact CD2-CG2 4.41Å; F62-T269 HydrophobicContact CE1-CG2 3.77Å; F62-T269 HydrophobicContact CZ-CG2 3.5Å; T265-T269 WeakPolarHBondContact O-CB 3.28Å; T265-T269 PolarHBondContact O-N 3.5Å; T265-T269 PolarHBondContact O-OG1 2.83Å; S266-T269 WeakPolarHBondContact O-CB 3.33Å; S266-T269 PolarHBondContact O-N 3.14Å; A267-T269 VanDerWaalsContact C-N 3.26Å; A267-T269 PolarHBondContact O-N 3.17Å; T269-A272 WeakPolarHBondContact O-CB 3.45Å; T269-A272 PolarHBondContact O-N 3.12Å; T269-I273 PolarHBondContact O-N 3.26Å
270H93.3Very high90.4Very high9 Ų918.7 Ų18.74%0.04210%0.1CC..Hα-helixtrans-59.9-49.2173.2173.8-75.7000111.7A14 Y18 F242 S266 A267 A272 I273 L274 M325A14-H270 HydrophobicContact CB-CB 4.43Å; Y18-H270 PolarHBondContact OH-CE1 2.93Å; F242-H270 AromaticContact CE2-CD2 3.55Å; S266-H270 PolarHBondContact O-N 3.2Å; A267-H270 PolarHBondContact O-N 2.68Å; H270-A272 PolarHBondContact O-N 2.83Å; H270-I273 PolarHBondContact O-N 2.55Å; H270-I273 VanDerWaalsContact O-N 3.12Å; H270-L274 PolarHBondContact O-N 3.35Å; H270-L274 VanDerWaalsContact O-N 3.1Å; H270-M325 HydrophobicContact CB-CE 3.91Å; H270-M325 VanDerWaalsContact CE1-CE 3.47Å; H270-M325 WeakPolarHBondContact CE1-CE 3.31Å; H270-M325 VanDerWaalsContact ND1-CE 3.25Å; H270-M325 WeakPolarHBondContact ND1-CE 3.08Å
271D94.5Very high90.9Very high0 Ų017.5 Ų17.50%09%0.089CC..Hα-helixtrans-61.4-32.1178.6-76.9-5.3000111.9M101 A267 L268 I273 L274 V275 G324 M325 T326 I329M101-D271 HydrophobicContact CE-CB 3.85Å; A267-D271 WeakPolarHBondContact O-CB 3.31Å; A267-D271 PolarHBondContact O-N 3.42Å; L268-D271 PolarHBondContact O-N 3.41Å; D271-I273 PolarHBondContact O-N 3.02Å; D271-L274 WeakPolarHBondContact O-CB 3.49Å; D271-L274 PolarHBondContact O-N 3.16Å; D271-V275 WeakPolarHBondContact O-CG2 3.28Å; D271-V275 PolarHBondContact O-N 2.92Å; D271-G324 WeakPolarHBondContact OD1-CA 3.5Å; D271-M325 PolarHBondContact OD1-N 3.4Å; D271-M325 PolarHBondContact OD2-N 3.29Å; D271-M325 VanDerWaalsContact OD2-N 3.15Å; D271-T326 WeakPolarHBondContact OD2-CB 3.37Å; D271-T326 WeakPolarHBondContact OD2-CG2 3.43Å; D271-T326 PolarHBondContact OD2-N 2.91Å; D271-T326 PolarHBondContact OD2-OG1 3.37Å; D271-I329 HydrophobicContact CB-CD1 3.72Å
272A95Very high91.3Very high0 Ų017.3 Ų17.30%08%0.077CC..Hα-helixtrans-62.6-41.9174.700000111.9F62 I85 M101 L268 T269 H270 V275 I276F62-A272 HydrophobicContact CD2-CB 3.9Å; F62-A272 HydrophobicContact CE2-CB 3.5Å; F62-A272 HydrophobicContact CZ-CB 4.47Å; I85-A272 HydrophobicContact CG2-CB 3.97Å; M101-A272 HydrophobicContact CE-CB 4.25Å; M101-A272 HydrophobicContact CG-CB 3.88Å; M101-A272 HydrophobicContact SD-CB 4.13Å; L268-A272 WeakPolarHBondContact O-CB 3.49Å; L268-A272 PolarHBondContact O-N 3.1Å; T269-A272 WeakPolarHBondContact O-CB 3.45Å; T269-A272 PolarHBondContact O-N 3.12Å; H270-A272 PolarHBondContact O-N 2.83Å; A272-V275 PolarHBondContact O-N 3.05Å; A272-I276 VanDerWaalsContact O-CG1 3.29Å; A272-I276 WeakPolarHBondContact O-CG1 3.43Å; A272-I276 PolarHBondContact O-N 3.11Å
273I93.6Very high91.5Very high6 Ų616.1 Ų16.13%0.0317%0.071CC..Hα-helixtrans-70.2-35.9177.9-55.7-50000111.2F11 A14 V15 Y18 L31 T269 H270 D271 V275 I276 A277F11-I273 HydrophobicContact CD2-CD1 3.52Å; F11-I273 HydrophobicContact CD2-CG1 3.92Å; F11-I273 HydrophobicContact CE2-CD1 3.35Å; F11-I273 HydrophobicContact CE2-CG1 4.2Å; F11-I273 HydrophobicContact CZ-CD1 4.39Å; A14-I273 HydrophobicContact CB-CB 3.89Å; A14-I273 HydrophobicContact CB-CG1 4.1Å; A14-I273 HydrophobicContact CB-CG2 4.1Å; V15-I273 HydrophobicContact CG2-CG2 4Å; Y18-I273 HydrophobicContact CD2-CG2 4.05Å; L31-I273 HydrophobicContact CD1-CG2 4.31Å; T269-I273 PolarHBondContact O-N 3.26Å; H270-I273 PolarHBondContact O-N 2.55Å; H270-I273 VanDerWaalsContact O-N 3.12Å; D271-I273 PolarHBondContact O-N 3.02Å; I273-V275 VanDerWaalsContact C-N 3.34Å; I273-I276 HydrophobicContact CD1-CD1 4.19Å; I273-I276 PolarHBondContact O-N 3.05Å; I273-A277 VanDerWaalsContact O-CB 3.29Å; I273-A277 WeakPolarHBondContact O-CB 3.4Å; I273-A277 PolarHBondContact O-N 2.91Å
274L92.1Very high91.3Very high20 Ų2018.4 Ų18.411%0.1058%0.078CC..Hα-helixtrans-57.5-47.7170.5171.859.7000111.1Y18 H270 D271 A277 E278 V322Y18-L274 HydrophobicContact CE1-CD1 3.76Å; Y18-L274 HydrophobicContact CE2-CB 3.93Å; Y18-L274 WeakPolarHBondContact OH-CB 3.28Å; Y18-L274 WeakPolarHBondContact OH-CD1 3.38Å; H270-L274 PolarHBondContact O-N 3.35Å; H270-L274 VanDerWaalsContact O-N 3.1Å; D271-L274 WeakPolarHBondContact O-CB 3.49Å; D271-L274 PolarHBondContact O-N 3.16Å; L274-A277 PolarHBondContact O-N 2.7Å; L274-E278 PolarHBondContact O-N 3.1Å; L274-V322 HydrophobicContact CD2-CG2 3.94Å; L274-V322 HydrophobicContact CG-CG2 4.02Å
275V94.1Very high91.1Very high0 Ų024.1 Ų24.10%010%0.099CC..Hα-helixtrans-62-45.8178.1169.70000111.4M101 D271 A272 I273 A277 E278 A279 L317 V320 V322 I329 F331M101-V275 HydrophobicContact CE-CG2 4.13Å; D271-V275 WeakPolarHBondContact O-CG2 3.28Å; D271-V275 PolarHBondContact O-N 2.92Å; A272-V275 PolarHBondContact O-N 3.05Å; I273-V275 VanDerWaalsContact C-N 3.34Å; V275-A277 PolarHBondContact O-N 3.09Å; V275-E278 PolarHBondContact O-N 2.85Å; V275-A279 WeakPolarHBondContact O-CB 3.45Å; V275-A279 PolarHBondContact O-N 3.47Å; V275-L317 HydrophobicContact CG1-CD2 4.04Å; V275-V320 HydrophobicContact CB-CG1 4.49Å; V275-V320 HydrophobicContact CG1-CB 4.21Å; V275-V320 HydrophobicContact CG1-CG1 4.27Å; V275-V320 HydrophobicContact CG1-CG2 4.29Å; V275-V320 HydrophobicContact CG2-CG1 4.27Å; V275-V322 HydrophobicContact CG2-CG2 4.44Å; V275-I329 HydrophobicContact CG2-CD1 4.41Å; V275-I329 HydrophobicContact CG2-CG2 3.95Å; V275-F331 HydrophobicContact CG1-CE2 3.86Å; V275-F331 HydrophobicContact CG1-CZ 4.23Å; V275-F331 HydrophobicContact CG2-CE2 4.21Å; V275-F331 HydrophobicContact CG2-CZ 4.28Å
276I93.3Very high90.9Very high15 Ų1529.1 Ų29.18%0.07712%0.122CC..Hα-helixtrans-61.1-46.1177.6-69.2169.2000110.8L31 F62 I85 A272 I273 E278 A279 F280 L317L31-I276 HydrophobicContact CD2-CG2 4.29Å; F62-I276 HydrophobicContact CB-CD1 4.48Å; I85-I276 HydrophobicContact CB-CD1 4.38Å; I85-I276 HydrophobicContact CD1-CD1 3.92Å; I85-I276 HydrophobicContact CD1-CG1 4.07Å; I85-I276 HydrophobicContact CG1-CD1 4.18Å; I85-I276 HydrophobicContact CG1-CG1 4.2Å; A272-I276 VanDerWaalsContact O-CG1 3.29Å; A272-I276 WeakPolarHBondContact O-CG1 3.43Å; A272-I276 PolarHBondContact O-N 3.11Å; I273-I276 HydrophobicContact CD1-CD1 4.19Å; I273-I276 PolarHBondContact O-N 3.05Å; I276-E278 PolarHBondContact O-N 3.31Å; I276-A279 PolarHBondContact O-N 2.8Å; I276-F280 HydrophobicContact CG2-CD2 3.76Å; I276-F280 HydrophobicContact CG2-CE2 3.65Å; I276-F280 WeakPolarHBondContact O-CD2 2.95Å; I276-F280 PolarHBondContact O-N 3.01Å; I276-F280 VanDerWaalsContact O-N 3.12Å; I276-L317 HydrophobicContact CG1-CD2 4.25Å
277A90.4Very high90.5Very high0 Ų040 Ų400%016%0.163CC..Hα-helixtrans-61.5-43.717900000111.6Y18 F29 L31 I273 L274 V275 F280 R281Y18-A277 HydrophobicContact CG-CB 4.39Å; F29-A277 WeakPolarHBondContact CZ-O 3.33Å; L31-A277 HydrophobicContact CD1-CB 4.07Å; I273-A277 VanDerWaalsContact O-CB 3.29Å; I273-A277 WeakPolarHBondContact O-CB 3.4Å; I273-A277 PolarHBondContact O-N 2.91Å; L274-A277 PolarHBondContact O-N 2.7Å; V275-A277 PolarHBondContact O-N 3.09Å; A277-F280 PolarHBondContact O-N 3.32Å; A277-R281 WeakPolarHBondContact O-CG 3.38Å; A277-R281 PolarHBondContact O-N 2.76Å
278E90Very high90.2Very high42 Ų4242.6 Ų42.620%0.19618%0.179CC..Hα-helixtrans-71.1-36-179.9-162.160.1-155.900112.6L274 V275 I276 F280 R281 Y282 R285 V320 V322L274-E278 PolarHBondContact O-N 3.1Å; V275-E278 PolarHBondContact O-N 2.85Å; I276-E278 PolarHBondContact O-N 3.31Å; E278-F280 PolarHBondContact O-N 3.07Å; E278-R281 WeakPolarHBondContact O-CB 3.4Å; E278-R281 PolarHBondContact O-N 3.45Å; E278-R281 WeakPolarHBondContact OE2-CD 3.24Å; E278-R281 IonicContact OE2-CZ 2.71Å; E278-R281 IonicContact OE2-NH1 3.77Å; E278-R281 PolarHBondContact OE2-NH1 3.28Å; E278-Y282 WeakPolarHBondContact O-CB 3.25Å; E278-Y282 PolarHBondContact O-N 3.38Å; E278-R285 IonicContact OE1-NH1 3.7Å; E278-R285 PolarHBondContact OE1-NH1 3.37Å; E278-V320 HydrophobicContact CB-CG1 4.13Å; E278-V320 HydrophobicContact CB-CG2 4.45Å; E278-V320 HydrophobicContact CG-CG1 4.37Å; E278-V322 HydrophobicContact CB-CG1 4.39Å; E278-V322 HydrophobicContact CG-CG1 3.93Å
279A91.5Very high89.6Confident1 Ų146.9 Ų46.91%0.00820%0.202CC..Hα-helixtrans-60.5-44.4173.800000111.8V275 I276 Y282 L283 A316 L317 V320V275-A279 WeakPolarHBondContact O-CB 3.45Å; V275-A279 PolarHBondContact O-N 3.47Å; I276-A279 PolarHBondContact O-N 2.8Å; A279-Y282 WeakPolarHBondContact O-CB 3.49Å; A279-Y282 PolarHBondContact O-N 3.3Å; A279-L283 WeakPolarHBondContact O-CG 3.41Å; A279-L283 PolarHBondContact O-N 3.2Å; A279-A316 HydrophobicContact CB-CB 4.28Å; A279-L317 HydrophobicContact CB-CD2 3.62Å; A279-L317 HydrophobicContact CB-CG 3.97Å; A279-V320 HydrophobicContact CB-CG2 3.84Å
280F89.6Confident89Confident32 Ų3248.2 Ų48.214%0.1421%0.209CC..Hα-helixtrans-70.2-33.1176.4-75.7-62.2000113F29 L31 I276 A277 E278 L283 R284 I313F29-F280 HydrophobicContact CE2-CB 4.01Å; F29-F280 HydrophobicContact CZ-CB 4.36Å; L31-F280 HydrophobicContact CD2-CD2 4.27Å; I276-F280 HydrophobicContact CG2-CD2 3.76Å; I276-F280 HydrophobicContact CG2-CE2 3.65Å; I276-F280 WeakPolarHBondContact O-CD2 2.95Å; I276-F280 PolarHBondContact O-N 3.01Å; I276-F280 VanDerWaalsContact O-N 3.12Å; A277-F280 PolarHBondContact O-N 3.32Å; E278-F280 PolarHBondContact O-N 3.07Å; F280-L283 HydrophobicContact CD1-CD1 4.03Å; F280-L283 HydrophobicContact CE1-CD1 4.33Å; F280-R284 WeakPolarHBondContact O-CB 3.48Å; F280-R284 PolarHBondContact O-N 2.97Å; F280-R284 VanDerWaalsContact O-N 3.1Å; F280-I313 HydrophobicContact CE1-CD1 4.34Å; F280-I313 HydrophobicContact CE1-CG1 4.39Å
281R87.1Confident88.5Confident33 Ų3350.2 Ų50.213%0.12523%0.225CC..Hα-helixtrans-60.4-46.3168.8-75.1-177.8-163111.85.9111.2F29 A277 E278 R284 R285F29-R281 HydrophobicContact CE1-CG 3.42Å; F29-R281 VanDerWaalsContact CE1-CG 3.42Å; F29-R281 HydrophobicContact CZ-CG 3.76Å; A277-R281 WeakPolarHBondContact O-CG 3.38Å; A277-R281 PolarHBondContact O-N 2.76Å; E278-R281 WeakPolarHBondContact O-CB 3.4Å; E278-R281 PolarHBondContact O-N 3.45Å; E278-R281 WeakPolarHBondContact OE2-CD 3.24Å; E278-R281 IonicContact OE2-CZ 2.71Å; E278-R281 IonicContact OE2-NH1 3.77Å; E278-R281 PolarHBondContact OE2-NH1 3.28Å; R281-R284 PolarHBondContact O-N 3.39Å; R281-R285 WeakPolarHBondContact O-CG 3.38Å; R281-R285 PolarHBondContact O-N 3.38Å
282Y88Confident87.7Confident86 Ų8652.7 Ų52.734%0.33723%0.234SC..Hα-helixtrans-59.7-48.9178.5178.2-95.7000112.1E278 A279 R284 R285 Q286 A316 M319E278-Y282 WeakPolarHBondContact O-CB 3.25Å; E278-Y282 PolarHBondContact O-N 3.38Å; A279-Y282 WeakPolarHBondContact O-CB 3.49Å; A279-Y282 PolarHBondContact O-N 3.3Å; Y282-R284 VanDerWaalsContact C-N 3.26Å; Y282-R284 PolarHBondContact O-N 3.29Å; Y282-R285 WeakPolarHBondContact O-CB 3.49Å; Y282-R285 PolarHBondContact O-N 2.86Å; Y282-R285 VanDerWaalsContact O-N 3.15Å; Y282-Q286 HydrophobicContact CD1-CG 4.27Å; Y282-Q286 HydrophobicContact CE1-CG 3.82Å; Y282-Q286 HydrophobicContact CE2-CG 4.18Å; Y282-Q286 WeakPolarHBondContact O-CG 3.28Å; Y282-Q286 PolarHBondContact O-N 3.03Å; Y282-A316 HydrophobicContact CD1-CB 4.07Å; Y282-M319 HydrophobicContact CE1-SD 4.15Å
283L88.3Confident86.4Confident8 Ų863.5 Ų63.54%0.04228%0.275CS..Hα-helixtrans-58-39.4176.9-73.1166.4000112.3A279 F280 Q286 R287 V288 V290 D312 I313 A316A279-L283 WeakPolarHBondContact O-CG 3.41Å; A279-L283 PolarHBondContact O-N 3.2Å; F280-L283 HydrophobicContact CD1-CD1 4.03Å; F280-L283 HydrophobicContact CE1-CD1 4.33Å; L283-Q286 CarbonylContact O-C 3.6Å; L283-Q286 PolarHBondContact O-N 3.25Å; L283-R287 PolarHBondContact O-N 3.39Å; L283-V288 HydrophobicContact CD2-CB 4.14Å; L283-V288 HydrophobicContact CD2-CG1 4.25Å; L283-V288 HydrophobicContact CD2-CG2 4.36Å; L283-V288 PolarHBondContact O-N 3.19Å; L283-V290 HydrophobicContact CD1-CG1 4.15Å; L283-D312 HydrophobicContact CD2-CB 4.46Å; L283-I313 HydrophobicContact CD1-CG1 3.84Å; L283-A316 HydrophobicContact CD1-CB 3.88Å; L283-A316 HydrophobicContact CD2-CB 3.77Å; L283-A316 HydrophobicContact CG-CB 3.59Å
284R84.6Confident85.3Confident114 Ų11465.8 Ų65.843%0.4330%0.3SS..Hα-helixtrans-70.1-38.4177.8-160.9171.9-166.5174.56.9112.5K27 P28 F280 R281 Y282 Q286 R287K27-R284 PolarHBondContact O-NH1 3.12Å; P28-R284 PolarHBondContact O-NH1 3.48Å; F280-R284 WeakPolarHBondContact O-CB 3.48Å; F280-R284 PolarHBondContact O-N 2.97Å; F280-R284 VanDerWaalsContact O-N 3.1Å; R281-R284 PolarHBondContact O-N 3.39Å; Y282-R284 VanDerWaalsContact C-N 3.26Å; Y282-R284 PolarHBondContact O-N 3.29Å; R284-Q286 VanDerWaalsContact C-N 3.31Å; R284-R287 PolarHBondContact O-N 2.89Å; R284-R287 VanDerWaalsContact O-N 3.11Å
285R84.6Confident84.4Confident134 Ų13469.9 Ų69.951%0.50633%0.33SS..Hα-helixtrans-60.9-40.9172.5-73.4176-1791514.9111.3E26 E278 R281 Y282 R287E26-R285 IonicContact OE1-CZ 2.76Å; E26-R285 IonicContact OE1-NE 3.9Å; E26-R285 PolarHBondContact OE1-NE 2.81Å; E26-R285 IonicContact OE1-NH2 3.25Å; E26-R285 PolarHBondContact OE1-NH2 3.04Å; E26-R285 IonicContact OE2-NH2 3.96Å; E278-R285 IonicContact OE1-NH1 3.7Å; E278-R285 PolarHBondContact OE1-NH1 3.37Å; R281-R285 WeakPolarHBondContact O-CG 3.38Å; R281-R285 PolarHBondContact O-N 3.38Å; Y282-R285 WeakPolarHBondContact O-CB 3.49Å; Y282-R285 PolarHBondContact O-N 2.86Å; Y282-R285 VanDerWaalsContact O-N 3.15Å; R285-R287 PolarHBondContact O-N 2.95Å
286Q85.8Confident83.4Confident110 Ų11070.7 Ų70.751%0.51434%0.337SS..THydrogen-bonded Turntrans-75.3-2.2175.9-64.6-63-20.500113.9Y282 L283 R284 V288Y282-Q286 HydrophobicContact CD1-CG 4.27Å; Y282-Q286 HydrophobicContact CE1-CG 3.82Å; Y282-Q286 HydrophobicContact CE2-CG 4.18Å; Y282-Q286 WeakPolarHBondContact O-CG 3.28Å; Y282-Q286 PolarHBondContact O-N 3.03Å; L283-Q286 CarbonylContact O-C 3.6Å; L283-Q286 PolarHBondContact O-N 3.25Å; R284-Q286 VanDerWaalsContact C-N 3.31Å; Q286-V288 HydrophobicContact CB-CG2 3.94Å; Q286-V288 PolarHBondContact O-N 2.93Å
287R84.4Confident82.7Confident230 Ų23071.9 Ų71.987%0.86835%0.353SS*.THydrogen-bonded Turntrans55.632.1-177.1-55.2-178-178.5178.20.9113.7L283 R284 R285 D289L283-R287 PolarHBondContact O-N 3.39Å; R284-R287 PolarHBondContact O-N 2.89Å; R284-R287 VanDerWaalsContact O-N 3.11Å; R285-R287 PolarHBondContact O-N 2.95Å; R287-D289 PolarHBondContact O-N 2.77Å
288V84.3Confident82.3Confident54 Ų5476.5 Ų76.533%0.32738%0.377SS..  trans-77.11201741800000108.8L283 Q286 V290 D312L283-V288 HydrophobicContact CD2-CB 4.14Å; L283-V288 HydrophobicContact CD2-CG1 4.25Å; L283-V288 HydrophobicContact CD2-CG2 4.36Å; L283-V288 PolarHBondContact O-N 3.19Å; Q286-V288 HydrophobicContact CB-CG2 3.94Å; Q286-V288 PolarHBondContact O-N 2.93Å; V288-V290 HydrophobicContact CG1-CG1 4.26Å; V288-V290 PolarHBondContact O-N 2.78Å; V288-D312 HydrophobicContact CG1-CB 4.43Å
289D81.8Confident82.1Confident90 Ų9074.9 Ų74.948%0.48137%0.371SS..  trans-79.4103.6175-175.613.2000109.9R287 S291 R293R287-D289 PolarHBondContact O-N 2.77Å; D289-S291 VanDerWaalsContact C-N 3.35Å; D289-S291 VanDerWaalsContact CG-OG 3.27Å; D289-S291 WeakPolarHBondContact OD1-CB 3.32Å; D289-S291 PolarHBondContact OD1-N 3.43Å; D289-S291 PolarHBondContact OD1-OG 2.93Å; D289-S291 PolarHBondContact OD2-OG 2.95Å; D289-R293 IonicContact OD2-NH2 3.2Å
290V83.1Confident81.9Confident28 Ų2880.8 Ų80.817%0.1740%0.402CS..  trans-89.4-0.4175.7-66.50000112.8Y59 L283 V288 R292 I313Y59-V290 HydrophobicContact CE1-CG2 4.39Å; Y59-V290 VanDerWaalsContact CE1-O 3.32Å; Y59-V290 WeakPolarHBondContact CE1-O 3.49Å; L283-V290 HydrophobicContact CD1-CG1 4.15Å; V288-V290 HydrophobicContact CG1-CG1 4.26Å; V288-V290 PolarHBondContact O-N 2.78Å; V290-R292 PolarHBondContact O-N 2.96Å; V290-I313 HydrophobicContact CG1-CD1 4.38Å; V290-I313 HydrophobicContact CG1-CG1 4.2Å
291S82.2Confident81.7Confident52 Ų5281.4 Ų81.436%0.36441%0.413SS..  trans-60.6127-174.566.70000112D289 R293D289-S291 VanDerWaalsContact C-N 3.35Å; D289-S291 VanDerWaalsContact CG-OG 3.27Å; D289-S291 WeakPolarHBondContact OD1-CB 3.32Å; D289-S291 PolarHBondContact OD1-N 3.43Å; D289-S291 PolarHBondContact OD1-OG 2.93Å; D289-S291 PolarHBondContact OD2-OG 2.95Å; S291-R293 PolarHBondContact O-N 3.27Å
292R78.2Confident81.6Confident51 Ų5187.7 Ų87.719%0.19245%0.449CS..  trans-80.6112.3-179.5-157170.5-173.4163.60.6109.4V290 G294 A296V290-R292 PolarHBondContact O-N 2.96Å; R292-G294 VanDerWaalsContact C-N 3.3Å; R292-G294 PolarHBondContact O-N 2.87Å; R292-A296 VanDerWaalsContact NH2-CA 3.33Å
293R68.5Low81.1Confident227 Ų22788.8 Ų88.886%0.85747%0.467SS*.  trans-82.870.3178.1-60.6-176.4-174-176.32.4110.5D289 S291D289-R293 IonicContact OD2-NH2 3.2Å; S291-R293 PolarHBondContact O-N 3.27Å
294G69.5Low80.6Confident54 Ų5490 Ų9056%0.55748%0.477SS*.SBendtrans134.2171.617700000114.4R292R292-G294 VanDerWaalsContact C-N 3.3Å; R292-G294 PolarHBondContact O-N 2.87Å
295S72.4Confident80.4Confident106 Ų10690.2 Ų90.274%0.74149%0.491SS*.  trans-69.9145.6170-1800000110G297S295-G297 PolarHBondContact O-N 3.05Å
296A73.4Confident80.3Confident18 Ų1886.6 Ų86.615%0.14949%0.485CS..  trans-62.8-19.9-178.100000114.7F54 R292F54-A296 HydrophobicContact CD1-CB 4.09Å; F54-A296 HydrophobicContact CE1-CB 3.92Å; F54-A296 WeakPolarHBondContact CE1-O 3.09Å; F54-A296 HydrophobicContact CZ-CB 4.24Å; F54-A296 WeakPolarHBondContact O-CB 3.49Å; R292-A296 VanDerWaalsContact NH2-CA 3.33Å
297G78.2Confident80.1Confident39 Ų3981.8 Ų81.840%0.40246%0.462SS..  trans77.6-168.9-170.300000112.5S295S295-G297 PolarHBondContact O-N 3.05Å
298D83.4Confident79.9Confident97 Ų9774.3 Ų74.352%0.51945%0.445SS..  trans-81.5142.1176.2-168.41000110.6L300 A301D298-L300 PolarHBondContact O-N 2.71Å; D298-L300 PolarHBondContact OD1-N 2.95Å; D298-A301 WeakPolarHBondContact O-CB 3.24Å; D298-A301 PolarHBondContact O-N 3.42Å
299C85.8Confident80Confident9 Ų974.4 Ų74.46%0.06144%0.442CS..THydrogen-bonded Turntrans-65.3-22.9174.566.30000112C51 F54 L80C51-C299 HydrophobicContact CB-CB 3.79Å; C51-C299 WeakPolarHBondContact CB-SG 3.49Å; C51-C299 WeakPolarHBondContact SG-CB 3.49Å; C51-C299 CovalentContact SG-SG 2.02Å; C51-C299 PolarHBondContact SG-SG 3.47Å; F54-C299 HydrophobicContact CD1-CB 4.16Å; L80-C299 HydrophobicContact CD1-CB 4.11Å
300L87.6Confident80.3Confident125 Ų12570.1 Ų70.165%0.65442%0.419SS*.THydrogen-bonded Turntrans-96.213.7178.4-58.8179.9000113.3D298 N302D298-L300 PolarHBondContact O-N 2.71Å; D298-L300 PolarHBondContact OD1-N 2.95Å; L300-N302 PolarHBondContact O-N 3.4Å
301A85.2Confident80.6Confident45 Ų4572 Ų7237%0.37243%0.427SS..  trans-55.4141.1173.400000110.7D298 P303 A304D298-A301 WeakPolarHBondContact O-CB 3.24Å; D298-A301 PolarHBondContact O-N 3.42Å; A301-P303 CarbonylContact O-C 3.57Å; A301-A304 WeakPolarHBondContact O-CA 3.37Å; A301-A304 WeakPolarHBondContact O-CB 3.24Å; A301-A304 PolarHBondContact O-N 3.25Å
302N83.7Confident81.1Confident164 Ų16471.8 Ų71.888%0.87742%0.422SS*.SBendtrans-128.3105.2-177.9-170.310.1000111.1L300L300-N302 PolarHBondContact O-N 3.4Å
303P78.8Confident81.7Confident110 Ų11069.4 Ų69.471%0.71441%0.413SS*.SBendcis-76.9143.3-2.931.8-33.3000111.9A301 V305A301-P303 CarbonylContact O-C 3.57Å; P303-V305 PolarHBondContact O-N 3.41Å
304A78Confident82.9Confident33 Ų3359.1 Ų59.127%0.27338%0.375SS..  trans-68.7133173.900000109.3L80 A301 P306L80-A304 HydrophobicContact CD2-CB 3.55Å; A301-A304 WeakPolarHBondContact O-CA 3.37Å; A301-A304 WeakPolarHBondContact O-CB 3.24Å; A301-A304 PolarHBondContact O-N 3.25Å; A304-P306 VanDerWaalsContact O-CD 3.24Å; A304-P306 WeakPolarHBondContact O-CD 3.35Å
305V80.1Confident84Confident119 Ų11962.5 Ų62.572%0.72137%0.371SS*.  trans-86.3110.9178.1-179.20000108.2P303P303-V305 PolarHBondContact O-N 3.41Å
306P82.1Confident85Confident57 Ų5757.6 Ų57.637%0.3734%0.336SS..  trans-66.3147.8179.5-17.232.2000110.3H81 A304 S308H81-P306 HydrophobicContact CB-CB 4.24Å; H81-P306 WeakPolarHBondContact ND1-CB 3.44Å; A304-P306 VanDerWaalsContact O-CD 3.24Å; A304-P306 WeakPolarHBondContact O-CD 3.35Å; P306-S308 PolarHBondContact O-N 3.12Å
307W81.3Confident85.9Confident10 Ų1056.8 Ų56.84%0.03833%0.33CS..  trans-78.2109.4178.4-177.534.1000110.8Y59 L80 Q309 G310 I313Y59-W307 AromaticContact CD1-CH2 3.44Å; Y59-W307 HydrophobicContact CD1-CH2 3.44Å; Y59-W307 VanDerWaalsContact CD1-CH2 3.44Å; Y59-W307 AromaticContact CD1-CZ2 3.67Å; Y59-W307 HydrophobicContact CD1-CZ2 3.67Å; Y59-W307 HydrophobicContact CE1-CH2 4.29Å; Y59-W307 HydrophobicContact CE1-CZ2 4.08Å; Y59-W307 HydrophobicContact CG-CH2 4.05Å; Y59-W307 WeakPolarHBondContact O-CZ3 3.36Å; L80-W307 PolarHBondContact O-N 3.38Å; W307-Q309 VanDerWaalsContact C-N 3.31Å; W307-Q309 HydrophobicContact CZ2-CB 4.09Å; W307-Q309 PolarHBondContact O-N 3.15Å; W307-G310 PolarHBondContact O-N 3.5Å; W307-I313 HydrophobicContact CH2-CD1 3.04Å; W307-I313 HydrophobicContact CZ2-CD1 3.79Å; W307-I313 HydrophobicContact CZ3-CD1 3.51Å
308S80.9Confident86.7Confident72 Ų7257 Ų5750%0.50332%0.32SS..THydrogen-bonded Turntrans-58.7-38.9-175.447.90000113.5P306 G310P306-S308 PolarHBondContact O-N 3.12Å; S308-G310 PolarHBondContact O-N 3.27Å
309Q86.4Confident87.1Confident56 Ų5657.4 Ų57.426%0.26232%0.32SS..THydrogen-bonded Turntrans-75.8-11.5178.8-62.973.119.300112.6W307 I311 D312 I313W307-Q309 VanDerWaalsContact C-N 3.31Å; W307-Q309 HydrophobicContact CZ2-CB 4.09Å; W307-Q309 PolarHBondContact O-N 3.15Å; Q309-I311 PolarHBondContact O-N 3.32Å; Q309-D312 PolarHBondContact O-N 3.25Å; Q309-I313 PolarHBondContact O-N 2.93Å; Q309-I313 VanDerWaalsContact O-N 3.16Å
310G87.4Confident87.5Confident0 Ų057.4 Ų57.40%032%0.319CS..Hα-helixtrans-60.6-33.9174.200000112.6H81 W307 S308 I313 E314H81-G310 WeakPolarHBondContact O-CA 3.33Å; W307-G310 PolarHBondContact O-N 3.5Å; S308-G310 PolarHBondContact O-N 3.27Å; G310-I313 PolarHBondContact O-N 2.94Å; G310-E314 PolarHBondContact O-N 2.99Å
311I90.4Very high87.8Confident68 Ų6857.6 Ų57.635%0.34932%0.317SS..Hα-helixtrans-64.2-41.2176.3-62.6162.1000111F97 Q309 I313 E314 R315F97-I311 HydrophobicContact CE1-CG1 4.26Å; F97-I311 HydrophobicContact CZ-CG1 3.94Å; Q309-I311 PolarHBondContact O-N 3.32Å; I311-I313 VanDerWaalsContact C-N 3.32Å; I311-E314 PolarHBondContact O-N 3.24Å; I311-R315 WeakPolarHBondContact O-CB 3.46Å; I311-R315 PolarHBondContact O-N 3.25Å
312D91.1Very high88.1Confident47 Ų4756.3 Ų56.325%0.25131%0.305SS..Hα-helixtrans-68.9-34.5178.5-64.9-45.6000111.4L283 V288 Q309 R315 A316L283-D312 HydrophobicContact CD2-CB 4.46Å; V288-D312 HydrophobicContact CG1-CB 4.43Å; Q309-D312 PolarHBondContact O-N 3.25Å; D312-R315 PolarHBondContact O-N 2.87Å; D312-R315 IonicContact OD1-CZ 3.57Å; D312-R315 IonicContact OD1-NH1 3.59Å; D312-R315 PolarHBondContact OD1-NH1 3.23Å; D312-R315 IonicContact OD1-NH2 3.1Å; D312-A316 WeakPolarHBondContact O-CB 3.4Å; D312-A316 PolarHBondContact O-N 2.83Å
313I91.8Very high88.5Confident1 Ų152.8 Ų52.81%0.00529%0.29CS..Hα-helixtrans-68.4-46174.9-67.5165.4000111.3Y59 F280 L283 V290 W307 Q309 G310 I311 R315 A316 L317Y59-I313 HydrophobicContact CD1-CD1 4.47Å; F280-I313 HydrophobicContact CE1-CD1 4.34Å; F280-I313 HydrophobicContact CE1-CG1 4.39Å; L283-I313 HydrophobicContact CD1-CG1 3.84Å; V290-I313 HydrophobicContact CG1-CD1 4.38Å; V290-I313 HydrophobicContact CG1-CG1 4.2Å; W307-I313 HydrophobicContact CH2-CD1 3.04Å; W307-I313 HydrophobicContact CZ2-CD1 3.79Å; W307-I313 HydrophobicContact CZ3-CD1 3.51Å; Q309-I313 PolarHBondContact O-N 2.93Å; Q309-I313 VanDerWaalsContact O-N 3.16Å; G310-I313 PolarHBondContact O-N 2.94Å; I311-I313 VanDerWaalsContact C-N 3.32Å; I313-R315 VanDerWaalsContact C-N 3.31Å; I313-R315 PolarHBondContact O-N 3.38Å; I313-A316 PolarHBondContact O-N 2.99Å; I313-L317 HydrophobicContact CG2-CD1 3.93Å; I313-L317 HydrophobicContact CG2-CG 4.45Å; I313-L317 VanDerWaalsContact O-CG 3.32Å; I313-L317 WeakPolarHBondContact O-CG 3.38Å; I313-L317 PolarHBondContact O-N 3.02Å
314E93.2Very high89Confident12 Ų1247.7 Ų47.76%0.05626%0.258CS..Hα-helixtrans-58.8-45.2174.6-172-167.7-174.600111F97 G310 I311 A316 L317 K318F97-E314 WeakPolarHBondContact CA-OE1 3.29Å; F97-E314 HydrophobicContact CD1-CB 4.05Å; F97-E314 HydrophobicContact CD1-CG 4.3Å; F97-E314 WeakPolarHBondContact CD1-OE2 3.43Å; F97-E314 HydrophobicContact CE1-CB 4.2Å; F97-E314 WeakPolarHBondContact CE1-OE2 3.45Å; F97-E314 PolarHBondContact N-OE1 3.01Å; G310-E314 PolarHBondContact O-N 2.99Å; I311-E314 PolarHBondContact O-N 3.24Å; E314-A316 VanDerWaalsContact C-N 3.34Å; E314-A316 PolarHBondContact O-N 2.88Å; E314-L317 PolarHBondContact O-N 2.84Å; E314-K318 HydrophobicContact CG-CD 4.35Å; E314-K318 WeakPolarHBondContact O-CG 3.39Å; E314-K318 PolarHBondContact O-N 2.9Å; E314-K318 WeakPolarHBondContact OE1-CE 3.43Å; E314-K318 IonicContact OE1-NZ 2.72Å; E314-K318 PolarHBondContact OE1-NZ 3.21Å
315R92.4Very high89.5Confident125 Ų12546.3 Ų46.347%0.47225%0.246SC..Hα-helixtrans-59.1-45.8176.1-170.9-171.5-60128.45.8111.2I311 D312 I313 K318 M319I311-R315 WeakPolarHBondContact O-CB 3.46Å; I311-R315 PolarHBondContact O-N 3.25Å; D312-R315 PolarHBondContact O-N 2.87Å; D312-R315 IonicContact OD1-CZ 3.57Å; D312-R315 IonicContact OD1-NH1 3.59Å; D312-R315 PolarHBondContact OD1-NH1 3.23Å; D312-R315 IonicContact OD1-NH2 3.1Å; I313-R315 VanDerWaalsContact C-N 3.31Å; I313-R315 PolarHBondContact O-N 3.38Å; R315-K318 PolarHBondContact O-N 3.48Å; R315-M319 HydrophobicContact CG-CE 3.7Å; R315-M319 HydrophobicContact CG-SD 4.17Å; R315-M319 VanDerWaalsContact O-CG 3.31Å; R315-M319 WeakPolarHBondContact O-CG 3.47Å; R315-M319 PolarHBondContact O-N 3Å; R315-M319 VanDerWaalsContact O-N 3.08Å
316A93Very high90.1Very high2 Ų240.8 Ų40.82%0.01721%0.212CC..Hα-helixtrans-62.3-42.9177.800000112A279 Y282 L283 D312 I313 E314 K318 M319 V320A279-A316 HydrophobicContact CB-CB 4.28Å; Y282-A316 HydrophobicContact CD1-CB 4.07Å; L283-A316 HydrophobicContact CD1-CB 3.88Å; L283-A316 HydrophobicContact CD2-CB 3.77Å; L283-A316 HydrophobicContact CG-CB 3.59Å; D312-A316 WeakPolarHBondContact O-CB 3.4Å; D312-A316 PolarHBondContact O-N 2.83Å; I313-A316 PolarHBondContact O-N 2.99Å; E314-A316 VanDerWaalsContact C-N 3.34Å; E314-A316 PolarHBondContact O-N 2.88Å; A316-K318 PolarHBondContact O-N 3.44Å; A316-M319 PolarHBondContact O-N 2.85Å; A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 3.18Å
317L94Very high90.5Very high2 Ų239.4 Ų39.41%0.0121%0.209CC..Hα-helixtrans-60.6-43.4176.5-73.7164000111.9I85 I99 V275 I276 A279 I313 E314 M319 V320I85-L317 HydrophobicContact CD1-CD1 4.17Å; I85-L317 HydrophobicContact CG1-CD1 4.42Å; I99-L317 HydrophobicContact CD1-CB 4.11Å; I99-L317 HydrophobicContact CG1-CB 4.12Å; I99-L317 HydrophobicContact CG1-CD1 4.2Å; V275-L317 HydrophobicContact CG1-CD2 4.04Å; I276-L317 HydrophobicContact CG1-CD2 4.25Å; A279-L317 HydrophobicContact CB-CD2 3.62Å; A279-L317 HydrophobicContact CB-CG 3.97Å; I313-L317 HydrophobicContact CG2-CD1 3.93Å; I313-L317 HydrophobicContact CG2-CG 4.45Å; I313-L317 VanDerWaalsContact O-CG 3.32Å; I313-L317 WeakPolarHBondContact O-CG 3.38Å; I313-L317 PolarHBondContact O-N 3.02Å; E314-L317 PolarHBondContact O-N 2.84Å; L317-M319 VanDerWaalsContact C-N 3.31Å; L317-M319 PolarHBondContact O-N 3.38Å; L317-V320 PolarHBondContact O-N 2.84Å
318K93.9Very high91.1Very high43 Ų4341.5 Ų41.519%0.18722%0.221CC..Hα-helixtrans-68.9-27.5178.3-69.3177-176.81730113.5I99 E314 R315 A316 V320 T333I99-K318 HydrophobicContact CD1-CG 3.84Å; E314-K318 HydrophobicContact CG-CD 4.35Å; E314-K318 WeakPolarHBondContact O-CG 3.39Å; E314-K318 PolarHBondContact O-N 2.9Å; E314-K318 WeakPolarHBondContact OE1-CE 3.43Å; E314-K318 IonicContact OE1-NZ 2.72Å; E314-K318 PolarHBondContact OE1-NZ 3.21Å; R315-K318 PolarHBondContact O-N 3.48Å; A316-K318 PolarHBondContact O-N 3.44Å; K318-V320 VanDerWaalsContact C-N 3.31Å; K318-T333 WeakPolarHBondContact CE-O 3.13Å; K318-T333 PolarHBondContact NZ-O 3.36Å
319M92.3Very high91.7Very high105 Ų10538.1 Ų38.152%0.51720%0.197SC..THydrogen-bonded Turntrans-79.4-10177.6-73.8178.8174.600113.7Y282 R315 A316 L317 Q321Y282-M319 HydrophobicContact CE1-SD 4.15Å; R315-M319 HydrophobicContact CG-CE 3.7Å; R315-M319 HydrophobicContact CG-SD 4.17Å; R315-M319 VanDerWaalsContact O-CG 3.31Å; R315-M319 WeakPolarHBondContact O-CG 3.47Å; R315-M319 PolarHBondContact O-N 3Å; R315-M319 VanDerWaalsContact O-N 3.08Å; A316-M319 PolarHBondContact O-N 2.85Å; L317-M319 VanDerWaalsContact C-N 3.31Å; L317-M319 PolarHBondContact O-N 3.38Å; M319-Q321 PolarHBondContact O-N 3.46Å
320V93.3Very high92.1Very high9 Ų937.1 Ų37.16%0.05519%0.192CC..  trans-67.3124.6-179.71780000110.3V275 E278 A279 A316 L317 K318 V322V275-V320 HydrophobicContact CB-CG1 4.49Å; V275-V320 HydrophobicContact CG1-CB 4.21Å; V275-V320 HydrophobicContact CG1-CG1 4.27Å; V275-V320 HydrophobicContact CG1-CG2 4.29Å; V275-V320 HydrophobicContact CG2-CG1 4.27Å; E278-V320 HydrophobicContact CB-CG1 4.13Å; E278-V320 HydrophobicContact CB-CG2 4.45Å; E278-V320 HydrophobicContact CG-CG1 4.37Å; A279-V320 HydrophobicContact CB-CG2 3.84Å; A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 3.18Å; L317-V320 PolarHBondContact O-N 2.84Å; K318-V320 VanDerWaalsContact C-N 3.31Å; V320-V322 HydrophobicContact CG1-CB 4.44Å; V320-V322 HydrophobicContact CG1-CG1 3.91Å; V320-V322 HydrophobicContact CG1-CG2 3.82Å
321Q94.1Very high92.4Very high129 Ų12938 Ų3860%0.60320%0.196SC*.  trans-127.1106.5169.4177.3178.1-12.700109.2M319 I329 Q330M319-Q321 PolarHBondContact O-N 3.46Å; Q321-I329 WeakPolarHBondContact CA-O 3.36Å; Q321-Q330 HydrophobicContact CB-CG 4.27Å; Q321-Q330 HydrophobicContact CG-CG 3.78Å
322V91.4Very high92.4Very high19 Ų1936.7 Ų36.712%0.11519%0.19CC..EExtended strand (participates in β ladder)trans-142.3146.3-177.2-66.50000111.7L274 V275 E278 V320 I329L274-V322 HydrophobicContact CD2-CG2 3.94Å; L274-V322 HydrophobicContact CG-CG2 4.02Å; V275-V322 HydrophobicContact CG2-CG2 4.44Å; E278-V322 HydrophobicContact CB-CG1 4.39Å; E278-V322 HydrophobicContact CG-CG1 3.93Å; V320-V322 HydrophobicContact CG1-CB 4.44Å; V320-V322 HydrophobicContact CG1-CG1 3.91Å; V320-V322 HydrophobicContact CG1-CG2 3.82Å; V322-I329 HydrophobicContact CG2-CD1 4.38Å; V322-I329 PolarHBondContact N-O 3.18Å; V322-I329 WeakPolarHBondContact O-CB 3.43Å; V322-I329 PolarHBondContact O-N 3.5Å
323P92.1Very high92.4Very high89 Ų8939.5 Ų39.558%0.57821%0.209SC*.EExtended strand (participates in β ladder)trans-77.4124.1167.730.9-31.6000110.4I238I238-P323 HydrophobicContact CD1-CB 4.16Å
324G89.9Confident92.4Very high3 Ų342.2 Ų42.23%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-116.5-163.3173.800000112.7D271 T326 G327D271-G324 WeakPolarHBondContact OD1-CA 3.5Å; G324-T326 VanDerWaalsContact C-N 3.26Å; G324-T326 PolarHBondContact O-N 2.95Å; G324-G327 PolarHBondContact N-O 3.36Å; G324-G327 PolarHBondContact O-N 2.98Å
325M89.3Confident92.2Very high5 Ų541.7 Ų41.73%0.02522%0.218CC..THydrogen-bonded Turntrans-67.5-30.4174.2-67.7-177.7-156.800112.6V239 F242 L262 A267 H270 D271 G327V239-M325 HydrophobicContact CG2-CB 4.17Å; V239-M325 HydrophobicContact CG2-CG 4.35Å; F242-M325 HydrophobicContact CB-CE 3.74Å; F242-M325 HydrophobicContact CD1-CE 3.57Å; F242-M325 HydrophobicContact CD1-SD 3.91Å; F242-M325 HydrophobicContact CD2-CE 3.06Å; F242-M325 HydrophobicContact CD2-SD 4.41Å; F242-M325 HydrophobicContact CE1-CE 3.86Å; F242-M325 HydrophobicContact CE1-SD 4.16Å; F242-M325 HydrophobicContact CE2-CE 3.35Å; F242-M325 HydrophobicContact CG-CE 3.15Å; F242-M325 HydrophobicContact CG-SD 4.05Å; F242-M325 HydrophobicContact CZ-CE 3.76Å; F242-M325 HydrophobicContact CZ-SD 4.49Å; L262-M325 HydrophobicContact CD2-SD 4.36Å; A267-M325 HydrophobicContact CB-CB 4.22Å; A267-M325 HydrophobicContact CB-SD 3.97Å; H270-M325 HydrophobicContact CB-CE 3.91Å; H270-M325 VanDerWaalsContact CE1-CE 3.47Å; H270-M325 WeakPolarHBondContact CE1-CE 3.31Å; H270-M325 VanDerWaalsContact ND1-CE 3.25Å; H270-M325 WeakPolarHBondContact ND1-CE 3.08Å; D271-M325 PolarHBondContact OD1-N 3.4Å; D271-M325 PolarHBondContact OD2-N 3.29Å; D271-M325 VanDerWaalsContact OD2-N 3.15Å; M325-G327 PolarHBondContact O-N 2.64Å
326T91.6Very high92.2Very high2 Ų238.9 Ų38.91%0.01221%0.208CC..THydrogen-bonded Turntrans-8920.6178.759.90000113.4I231 L268 D271 G324 R337I231-T326 HydrophobicContact CD1-CG2 3.96Å; I231-T326 HydrophobicContact CG1-CG2 4.12Å; I231-T326 HydrophobicContact CG2-CG2 4.2Å; L268-T326 HydrophobicContact CD2-CG2 3.72Å; L268-T326 HydrophobicContact CG-CG2 4.29Å; D271-T326 WeakPolarHBondContact OD2-CB 3.37Å; D271-T326 WeakPolarHBondContact OD2-CG2 3.43Å; D271-T326 PolarHBondContact OD2-N 2.91Å; D271-T326 PolarHBondContact OD2-OG1 3.37Å; G324-T326 VanDerWaalsContact C-N 3.26Å; G324-T326 PolarHBondContact O-N 2.95Å; T326-R337 PolarHBondContact O-NH1 2.94Å
327G90.9Very high92.2Very high29 Ų2939.3 Ų39.330%0.29921%0.209SC..EExtended strand (participates in β ladder)trans85.7-151.2-178.400000112.8G324 M325 I329G324-G327 PolarHBondContact N-O 3.36Å; G324-G327 PolarHBondContact O-N 2.98Å; M325-G327 PolarHBondContact O-N 2.64Å; G327-I329 PolarHBondContact O-N 2.83Å
328N92.8Very high92.1Very high54 Ų5440.3 Ų40.329%0.28922%0.216SC..EExtended strand (participates in β ladder)trans-64.7130.8174.9-178.948.6000109.5Q330 R337 N339N328-Q330 VanDerWaalsContact ND2-CD 3.29Å; N328-Q330 PolarHBondContact ND2-NE2 2.93Å; N328-R337 PolarHBondContact O-NH2 3.22Å; N328-N339 PolarHBondContact ND2-ND2 3.38Å
329I94.4Very high91.9Very high0 Ų040.3 Ų40.30%022%0.218CC..EExtended strand (participates in β ladder)trans-110.5122.2177.3-57.6164.3000108.3M101 D271 V275 Q321 V322 G327 F331M101-I329 HydrophobicContact CE-CG2 4.49Å; D271-I329 HydrophobicContact CB-CD1 3.72Å; V275-I329 HydrophobicContact CG2-CD1 4.41Å; V275-I329 HydrophobicContact CG2-CG2 3.95Å; Q321-I329 WeakPolarHBondContact CA-O 3.36Å; V322-I329 HydrophobicContact CG2-CD1 4.38Å; V322-I329 PolarHBondContact N-O 3.18Å; V322-I329 WeakPolarHBondContact O-CB 3.43Å; V322-I329 PolarHBondContact O-N 3.5Å; G327-I329 PolarHBondContact O-N 2.83Å; I329-F331 HydrophobicContact CG2-CE1 4.5Å; I329-F331 HydrophobicContact CG2-CE2 3.91Å; I329-F331 HydrophobicContact CG2-CZ 3.74Å
330Q93.9Very high91.9Very high35 Ų3535.7 Ų35.716%0.16420%0.195CC..EExtended strand (participates in β ladder)trans-144.2154.6176.1-70178.20.200109.1Q321 N328 R337 S338 N339Q321-Q330 HydrophobicContact CB-CG 4.27Å; Q321-Q330 HydrophobicContact CG-CG 3.78Å; N328-Q330 VanDerWaalsContact ND2-CD 3.29Å; N328-Q330 PolarHBondContact ND2-NE2 2.93Å; Q330-R337 WeakPolarHBondContact O-CA 3.44Å; Q330-S338 PolarHBondContact O-N 2.84Å; Q330-N339 PolarHBondContact NE2-ND2 2.79Å; Q330-N339 PolarHBondContact OE1-ND2 3.17Å
331F94.1Very high91.8Very high20 Ų2037.7 Ų37.79%0.08821%0.209CC..EExtended strand (participates in β ladder)trans-124.3153179.7-57.1-76.6000111.8I99 M101 V275 I329 R336 R337I99-F331 HydrophobicContact CG2-CD1 3.87Å; I99-F331 HydrophobicContact CG2-CD2 4.5Å; I99-F331 HydrophobicContact CG2-CE1 3.41Å; I99-F331 VanDerWaalsContact CG2-CE1 3.41Å; I99-F331 HydrophobicContact CG2-CE2 4.1Å; I99-F331 HydrophobicContact CG2-CG 4.4Å; I99-F331 HydrophobicContact CG2-CZ 3.54Å; M101-F331 HydrophobicContact SD-CE1 4.2Å; M101-F331 HydrophobicContact SD-CZ 3.81Å; V275-F331 HydrophobicContact CG1-CE2 3.86Å; V275-F331 HydrophobicContact CG1-CZ 4.23Å; V275-F331 HydrophobicContact CG2-CE2 4.21Å; V275-F331 HydrophobicContact CG2-CZ 4.28Å; I329-F331 HydrophobicContact CG2-CE1 4.5Å; I329-F331 HydrophobicContact CG2-CE2 3.91Å; I329-F331 HydrophobicContact CG2-CZ 3.74Å; F331-R336 CarbonylContact C-O 3.5Å; F331-R336 VanDerWaalsContact CA-O 3.24Å; F331-R336 WeakPolarHBondContact CA-O 3.38Å; F331-R337 HydrophobicContact CD1-CG 4.34Å; F331-R337 HydrophobicContact CE1-CG 3.99Å
332D91.2Very high91.7Very high40 Ų4031.5 Ų31.521%0.21418%0.18CC..  trans-83.2-176.7169.377-3.1000112.1F334 G335 R336D332-F334 PolarHBondContact O-N 3.14Å; D332-F334 VanDerWaalsContact O-N 3.12Å; D332-F334 VanDerWaalsContact OD1-C 3.27Å; D332-F334 WeakPolarHBondContact OD1-CA 3.34Å; D332-F334 PolarHBondContact OD1-N 2.89Å; D332-G335 PolarHBondContact O-N 3.39Å; D332-G335 PolarHBondContact OD1-N 2.95Å; D332-R336 PolarHBondContact N-O 3.24Å; D332-R336 PolarHBondContact OD1-N 2.81Å; D332-R336 IonicContact OD2-CZ 3.83Å; D332-R336 VanDerWaalsContact OD2-CZ 3.24Å; D332-R336 IonicContact OD2-NE 2.95Å; D332-R336 PolarHBondContact OD2-NE 2.91Å; D332-R336 IonicContact OD2-NH2 2.71Å; D332-R336 PolarHBondContact OD2-NH2 3.49Å
333T91.3Very high91.7Very high106 Ų10631 Ų3165%0.6518%0.177SC*.THydrogen-bonded Turntrans-61.1-19.4178490000113.8K318K318-T333 WeakPolarHBondContact CE-O 3.13Å; K318-T333 PolarHBondContact NZ-O 3.36Å
334F90.8Very high91.7Very high58 Ų5826.9 Ų26.925%0.25415%0.15SC..THydrogen-bonded Turntrans-105.93.6-177.7-57-76000112.9D94 D332D94-F334 HydrophobicContact CB-CD1 3.69Å; D94-F334 HydrophobicContact CB-CE1 3.6Å; D94-F334 HydrophobicContact CB-CG 4.28Å; D94-F334 HydrophobicContact CB-CZ 4.09Å; D332-F334 PolarHBondContact O-N 3.14Å; D332-F334 VanDerWaalsContact O-N 3.12Å; D332-F334 VanDerWaalsContact OD1-C 3.27Å; D332-F334 WeakPolarHBondContact OD1-CA 3.34Å; D332-F334 PolarHBondContact OD1-N 2.89Å
335G90.3Very high91.6Very high0 Ų027.5 Ų27.50%015%0.151CC..SBendtrans81.414.1179.700000114.7Q100 D332Q100-G335 PolarHBondContact N-O 3.4Å; D332-G335 PolarHBondContact O-N 3.39Å; D332-G335 PolarHBondContact OD1-N 2.95Å
336R92.3Very high91.5Very high67 Ų6728.1 Ų28.125%0.25315%0.154SC..  trans-83.1143.4170.7-58.6178.9-65.8-140.6-6.7109.6D92 D94 F331 D332 S338D92-R336 PolarHBondContact O-NH1 3.05Å; D94-R336 IonicContact OD1-CZ 2.78Å; D94-R336 IonicContact OD1-NH1 2.64Å; D94-R336 PolarHBondContact OD1-NH1 3.38Å; D94-R336 IonicContact OD1-NH2 3.1Å; F331-R336 CarbonylContact C-O 3.5Å; F331-R336 VanDerWaalsContact CA-O 3.24Å; F331-R336 WeakPolarHBondContact CA-O 3.38Å; D332-R336 PolarHBondContact N-O 3.24Å; D332-R336 PolarHBondContact OD1-N 2.81Å; D332-R336 IonicContact OD2-CZ 3.83Å; D332-R336 VanDerWaalsContact OD2-CZ 3.24Å; D332-R336 IonicContact OD2-NE 2.95Å; D332-R336 PolarHBondContact OD2-NE 2.91Å; D332-R336 IonicContact OD2-NH2 2.71Å; D332-R336 PolarHBondContact OD2-NH2 3.49Å; R336-S338 PolarHBondContact O-N 3.17Å
337R92.2Very high91.1Very high10 Ų1028 Ų284%0.03815%0.154CC..EExtended strand (participates in β ladder)trans-60.4125.9174.5-95-135.556.2173.91.5111.5Q100 M101 P103 T326 N328 Q330 F331 Y340Q100-R337 VanDerWaalsContact O-CG 3.32Å; Q100-R337 WeakPolarHBondContact O-CG 3.5Å; M101-R337 WeakPolarHBondContact O-CD 3.48Å; M101-R337 WeakPolarHBondContact O-CG 3.26Å; P103-R337 HydrophobicContact CB-CB 4.33Å; T326-R337 PolarHBondContact O-NH1 2.94Å; N328-R337 PolarHBondContact O-NH2 3.22Å; Q330-R337 WeakPolarHBondContact O-CA 3.44Å; F331-R337 HydrophobicContact CD1-CG 4.34Å; F331-R337 HydrophobicContact CE1-CG 3.99Å; R337-Y340 WeakPolarHBondContact O-CE1 3.4Å
338S91.4Very high90.6Very high24 Ų2430.2 Ų30.217%0.16816%0.155CC..EExtended strand (participates in β ladder)trans-118.5167.1172.864.20000111.1Q330 R336 Y340Q330-S338 PolarHBondContact O-N 2.84Å; R336-S338 PolarHBondContact O-N 3.17Å; S338-Y340 VanDerWaalsContact C-N 3.33Å; S338-Y340 PolarHBondContact O-N 3.45Å
339N90.9Very high89.6Confident43 Ų4333.4 Ų33.423%0.2318%0.179CC..SBendtrans50.150.8173.3-166.813.8000113.2N328 Q330 E360 Y361N328-N339 PolarHBondContact ND2-ND2 3.38Å; Q330-N339 PolarHBondContact NE2-ND2 2.79Å; Q330-N339 PolarHBondContact OE1-ND2 3.17Å; N339-E360 PolarHBondContact N-OE2 3.11Å; N339-Y361 HydrophobicContact CB-CE2 4.37Å
340Y91.8Very high88.6Confident8 Ų843.7 Ų43.73%0.03122%0.223CC..  trans-107.3149.3177.858.1-90.7000111.1P103 S104 R337 S338 I342 W358 N359 E360P103-Y340 HydrophobicContact CB-CD1 3.62Å; P103-Y340 HydrophobicContact CB-CD2 3.47Å; P103-Y340 VanDerWaalsContact CB-CD2 3.47Å; P103-Y340 HydrophobicContact CB-CE1 3.6Å; P103-Y340 HydrophobicContact CB-CE2 3.44Å; P103-Y340 VanDerWaalsContact CB-CE2 3.44Å; P103-Y340 HydrophobicContact CB-CG 3.55Å; P103-Y340 HydrophobicContact CG-CD2 4.07Å; P103-Y340 HydrophobicContact CG-CE2 4.28Å; P103-Y340 HydrophobicContact CG-CG 4.35Å; S104-Y340 PolarHBondContact N-OH 2.98Å; S104-Y340 PolarHBondContact O-OH 3.33Å; R337-Y340 WeakPolarHBondContact O-CE1 3.4Å; S338-Y340 VanDerWaalsContact C-N 3.33Å; S338-Y340 PolarHBondContact O-N 3.45Å; Y340-I342 HydrophobicContact CD2-CD1 4Å; Y340-I342 HydrophobicContact CD2-CG1 3.78Å; Y340-I342 HydrophobicContact CE2-CD1 3.64Å; Y340-I342 HydrophobicContact CE2-CG1 3.94Å; Y340-W358 HydrophobicContact CD2-CZ3 4.27Å; Y340-W358 AromaticContact CE2-CE3 3.98Å; Y340-W358 HydrophobicContact CE2-CE3 3.98Å; Y340-W358 HydrophobicContact CE2-CH2 4.49Å; Y340-W358 AromaticContact CE2-CZ3 3.42Å; Y340-W358 HydrophobicContact CE2-CZ3 3.42Å; Y340-W358 VanDerWaalsContact CE2-CZ3 3.42Å; Y340-W358 AromaticContact CZ-CZ3 3.71Å; Y340-N359 PolarHBondContact O-OD1 2.84Å; Y340-N359 VanDerWaalsContact O-OD1 3.09Å; Y340-E360 HydrophobicContact CE1-CG 4.1Å; Y340-E360 WeakPolarHBondContact CE1-OE1 3.36Å
341S91.5Very high87.7Confident50 Ų5042.9 Ų42.935%0.3523%0.225SC..EExtended strand (participates in β ladder)trans-109.6129.4170.657.10000110.1W358S341-W358 CarbonylContact C-O 3.56Å; S341-W358 VanDerWaalsContact CA-O 3.32Å; S341-W358 WeakPolarHBondContact CA-O 3.49Å
342I92.3Very high87.1Confident0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-108.4125.6170.9-59.7178000108.1L105 A108 L209 F229 Y340 Y357 W358L105-I342 HydrophobicContact CD1-CD1 3.79Å; A108-I342 HydrophobicContact CB-CD1 4.35Å; L209-I342 HydrophobicContact CD2-CD1 3.95Å; L209-I342 HydrophobicContact CD2-CG1 4.41Å; L209-I342 HydrophobicContact CD2-CG2 4.25Å; F229-I342 HydrophobicContact CB-CG2 3.82Å; F229-I342 HydrophobicContact CD1-CG2 3.97Å; F229-I342 HydrophobicContact CG-CG2 4.34Å; Y340-I342 HydrophobicContact CD2-CD1 4Å; Y340-I342 HydrophobicContact CD2-CG1 3.78Å; Y340-I342 HydrophobicContact CE2-CD1 3.64Å; Y340-I342 HydrophobicContact CE2-CG1 3.94Å; I342-Y357 CarbonylContact O-C 3.52Å; I342-Y357 VanDerWaalsContact O-CA 3.31Å; I342-Y357 WeakPolarHBondContact O-CA 3.34Å; I342-W358 PolarHBondContact N-O 2.97Å; I342-W358 PolarHBondContact O-N 3.23Å
343D91.1Very high86.7Confident9 Ų947.3 Ų47.35%0.04824%0.244CC..EExtended strand (participates in β ladder)trans-83.6139.3175.2-69.3-33.4000110.5F229 Q230 Y345 R354 Y357F229-D343 WeakPolarHBondContact CA-O 3.43Å; Q230-D343 PolarHBondContact N-O 2.97Å; Q230-D343 WeakPolarHBondContact O-CB 3.39Å; Q230-D343 PolarHBondContact O-N 2.82Å; D343-Y345 HydrophobicContact CB-CD2 4.19Å; D343-Y345 HydrophobicContact CB-CE2 3.66Å; D343-R354 HydrophobicContact CB-CG 4.38Å; D343-R354 IonicContact OD1-CZ 3.87Å; D343-R354 IonicContact OD1-NE 2.89Å; D343-R354 PolarHBondContact OD1-NE 2.87Å; D343-R354 IonicContact OD1-NH2 2.87Å; D343-R354 PolarHBondContact OD1-NH2 2.87Å; D343-R354 IonicContact OD2-CZ 3.94Å; D343-R354 IonicContact OD2-NE 3.72Å; D343-R354 IonicContact OD2-NH2 3.98Å; D343-Y357 WeakPolarHBondContact OD1-CB 3.3Å
344V91.3Very high86.5Confident1 Ų146.7 Ų46.71%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-105.4125.9176.1-173.20000108.5L112 F229 I355 G356 F364L112-V344 HydrophobicContact CD1-CG1 4.12Å; L112-V344 HydrophobicContact CD2-CG1 4.34Å; F229-V344 HydrophobicContact CD1-CG2 3.92Å; F229-V344 HydrophobicContact CE1-CG2 3.98Å; V344-I355 HydrophobicContact CB-CD1 4.42Å; V344-I355 HydrophobicContact CB-CG1 4.02Å; V344-I355 HydrophobicContact CG1-CD1 3.78Å; V344-I355 HydrophobicContact CG1-CG1 3.86Å; V344-I355 VanDerWaalsContact O-CG1 3.29Å; V344-I355 WeakPolarHBondContact O-CG1 3.01Å; V344-I355 PolarHBondContact O-N 3.02Å; V344-G356 PolarHBondContact N-O 3.43Å; V344-F364 HydrophobicContact CB-CE2 3.86Å; V344-F364 HydrophobicContact CG1-CE2 4.4Å; V344-F364 HydrophobicContact CG2-CD2 4Å; V344-F364 HydrophobicContact CG2-CE2 3.52Å
345Y87.9Confident86.4Confident16 Ų1644.3 Ų44.36%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-112.4141.6179.4-77.8-101.8000110.4T227 S228 Q230 D343 P352 R353 R354T227-Y345 WeakPolarHBondContact CA-O 3.49Å; S228-Y345 PolarHBondContact N-O 2.9Å; S228-Y345 PolarHBondContact O-N 3.4Å; Q230-Y345 HydrophobicContact CB-CD2 3.63Å; Q230-Y345 HydrophobicContact CB-CE2 3.66Å; Q230-Y345 HydrophobicContact CG-CE2 4.19Å; D343-Y345 HydrophobicContact CB-CD2 4.19Å; D343-Y345 HydrophobicContact CB-CE2 3.66Å; Y345-P352 HydrophobicContact CD1-CB 4.09Å; Y345-R353 WeakPolarHBondContact CA-O 3.45Å; Y345-R354 HydrophobicContact CD1-CB 4.21Å; Y345-R354 HydrophobicContact CE1-CB 3.81Å; Y345-R354 HydrophobicContact CE2-CB 4.28Å; Y345-R354 HydrophobicContact CE2-CG 4.35Å
346E87.9Confident86.3Confident18 Ų1844.3 Ų44.38%0.08422%0.219CC..EExtended strand (participates in β ladder)trans-121.1135.8171.1-166.3-171.4168.200109.1I226 T227 K348 R353 I355I226-E346 WeakPolarHBondContact O-CA 3.47Å; T227-E346 HydrophobicContact CG2-CB 4.36Å; T227-E346 HydrophobicContact CG2-CG 3.98Å; E346-K348 VanDerWaalsContact CD-CE 3.49Å; E346-K348 PolarHBondContact O-N 3.43Å; E346-K348 IonicContact OE1-NZ 2.88Å; E346-K348 PolarHBondContact OE1-NZ 3.43Å; E346-K348 WeakPolarHBondContact OE2-CE 3.17Å; E346-K348 IonicContact OE2-NZ 3.92Å; E346-K348 PolarHBondContact OE2-NZ 3.26Å; E346-R353 PolarHBondContact N-O 3.31Å; E346-R353 PolarHBondContact O-N 3.46Å; E346-I355 HydrophobicContact CB-CD1 4.35Å; E346-I355 HydrophobicContact CB-CG2 3.62Å
347M83.4Confident86.3Confident1 Ų144 Ų441%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-70.7127.1175-68.8-58-66.800110.5L216 D217 F220 I226 P352L216-M347 HydrophobicContact CB-CE 4.2Å; L216-M347 HydrophobicContact CB-CG 4.18Å; L216-M347 HydrophobicContact CB-SD 4.05Å; L216-M347 HydrophobicContact CD1-SD 4.26Å; D217-M347 WeakPolarHBondContact OD1-CE 3.47Å; F220-M347 HydrophobicContact CB-CB 4.16Å; F220-M347 HydrophobicContact CD2-CB 3.52Å; F220-M347 HydrophobicContact CE2-CB 4.12Å; F220-M347 WeakPolarHBondContact CE2-O 3.29Å; F220-M347 HydrophobicContact CG-CB 3.87Å; I226-M347 HydrophobicContact CB-CB 4.4Å; I226-M347 HydrophobicContact CB-CG 4.14Å; I226-M347 PolarHBondContact O-N 3.11Å; M347-P352 HydrophobicContact SD-CB 3.68Å; M347-P352 HydrophobicContact SD-CG 4.32Å
348K80.6Confident86.4Confident75 Ų7544.3 Ų44.333%0.32622%0.22SC..EExtended strand (participates in β ladder)trans-125.4168174-61.6-62.2-177.4-1680109.6F220 E346 K350 G351 R353F220-K348 VanDerWaalsContact CE1-C 3.49Å; F220-K348 VanDerWaalsContact CZ-C 3.48Å; E346-K348 VanDerWaalsContact CD-CE 3.49Å; E346-K348 PolarHBondContact O-N 3.43Å; E346-K348 IonicContact OE1-NZ 2.88Å; E346-K348 PolarHBondContact OE1-NZ 3.43Å; E346-K348 WeakPolarHBondContact OE2-CE 3.17Å; E346-K348 IonicContact OE2-NZ 3.92Å; E346-K348 PolarHBondContact OE2-NZ 3.26Å; K348-K350 PolarHBondContact O-N 2.9Å; K348-G351 PolarHBondContact N-O 3.44Å; K348-G351 PolarHBondContact O-N 3.18Å; K348-R353 HydrophobicContact CG-CB 4.28Å
349P72.2Confident86.3Confident120 Ų12044.3 Ų44.378%0.77922%0.218SC*.THydrogen-bonded Turntrans-59.5-21.6-179.1-25.835.9000115.5F220F220-P349 HydrophobicContact CE1-CB 4.46Å; F220-P349 HydrophobicContact CE1-CG 4.19Å; F220-P349 HydrophobicContact CZ-CG 4.1Å
350K72.3Confident86.1Confident216 Ų21646 Ų4694%0.93922%0.224SC*.THydrogen-bonded Turntrans-925.4176.4-64.5-174.1177.8-178.60113.4K348K348-K350 PolarHBondContact O-N 2.9Å
351G75.6Confident85.9Confident19 Ų1953.3 Ų53.320%0.19625%0.253CS..EExtended strand (participates in β ladder)trans111.4-175.8-174.200000113.4K348 R353K348-G351 PolarHBondContact N-O 3.44Å; K348-G351 PolarHBondContact O-N 3.18Å; G351-R353 PolarHBondContact O-N 3.11Å
352P80.4Confident85.5Confident43 Ų4356.3 Ų56.328%0.27926%0.261SS..EExtended strand (participates in β ladder)trans-64.1128.2176.425.6-32.5000110.6Y345 M347Y345-P352 HydrophobicContact CD1-CB 4.09Å; M347-P352 HydrophobicContact SD-CB 3.68Å; M347-P352 HydrophobicContact SD-CG 4.32Å
353R83.8Confident85.4Confident110 Ų11063 Ų6342%0.41529%0.291SS..EExtended strand (participates in β ladder)trans-117.9133175.5-172.8179.9-178.9-174.62.3109.6Y345 E346 K348 G351 I355 D369Y345-R353 WeakPolarHBondContact CA-O 3.45Å; E346-R353 PolarHBondContact N-O 3.31Å; E346-R353 PolarHBondContact O-N 3.46Å; K348-R353 HydrophobicContact CG-CB 4.28Å; G351-R353 PolarHBondContact O-N 3.11Å; R353-I355 PolarHBondContact O-N 3.5Å; R353-D369 IonicContact CZ-OD2 3.16Å; R353-D369 IonicContact NH2-OD2 2.76Å; R353-D369 PolarHBondContact NH2-OD2 3.29Å
354R86.5Confident85.3Confident92 Ų9264.1 Ų64.135%0.34730%0.295SS..EExtended strand (participates in β ladder)trans-66.2120.3171.3-174.4179.3175.7-153.45.1109.2D343 Y345D343-R354 HydrophobicContact CB-CG 4.38Å; D343-R354 IonicContact OD1-CZ 3.87Å; D343-R354 IonicContact OD1-NE 2.89Å; D343-R354 PolarHBondContact OD1-NE 2.87Å; D343-R354 IonicContact OD1-NH2 2.87Å; D343-R354 PolarHBondContact OD1-NH2 2.87Å; D343-R354 IonicContact OD2-CZ 3.94Å; D343-R354 IonicContact OD2-NE 3.72Å; D343-R354 IonicContact OD2-NH2 3.98Å; Y345-R354 HydrophobicContact CD1-CB 4.21Å; Y345-R354 HydrophobicContact CE1-CB 3.81Å; Y345-R354 HydrophobicContact CE2-CB 4.28Å; Y345-R354 HydrophobicContact CE2-CG 4.35Å
355I88Confident85.2Confident9 Ų966.1 Ų66.15%0.04631%0.307CS..EExtended strand (participates in β ladder)trans-100.1-18.418059162.1000112.9V344 E346 R353 F364 Y366 I367V344-I355 HydrophobicContact CB-CD1 4.42Å; V344-I355 HydrophobicContact CB-CG1 4.02Å; V344-I355 HydrophobicContact CG1-CD1 3.78Å; V344-I355 HydrophobicContact CG1-CG1 3.86Å; V344-I355 VanDerWaalsContact O-CG1 3.29Å; V344-I355 WeakPolarHBondContact O-CG1 3.01Å; V344-I355 PolarHBondContact O-N 3.02Å; E346-I355 HydrophobicContact CB-CD1 4.35Å; E346-I355 HydrophobicContact CB-CG2 3.62Å; R353-I355 PolarHBondContact O-N 3.5Å; I355-F364 HydrophobicContact CD1-CZ 4.28Å; I355-Y366 HydrophobicContact CB-CE2 4.16Å; I355-I367 PolarHBondContact O-N 2.89Å
356G89.9Confident85.1Confident0 Ų070.4 Ų70.40%032%0.324CS..EExtended strand (participates in β ladder)trans176.9-177.7-17600000111.9V344 V365V344-G356 PolarHBondContact N-O 3.43Å; G356-V365 WeakPolarHBondContact CA-O 3.31Å
357Y91.5Very high84.8Confident61 Ų6173 Ų7324%0.23934%0.337CS..EExtended strand (participates in β ladder)trans-134.3157.9171.265.5-83.9000110.3I342 D343 E362 V365 I367I342-Y357 CarbonylContact O-C 3.52Å; I342-Y357 VanDerWaalsContact O-CA 3.31Å; I342-Y357 WeakPolarHBondContact O-CA 3.34Å; D343-Y357 WeakPolarHBondContact OD1-CB 3.3Å; Y357-E362 PolarHBondContact OH-OE2 3.42Å; Y357-V365 HydrophobicContact CD1-CB 4.45Å; Y357-V365 HydrophobicContact CE1-CB 4.01Å; Y357-V365 HydrophobicContact CE1-CG1 4.08Å; Y357-V365 HydrophobicContact CE2-CB 4.31Å; Y357-V365 HydrophobicContact CE2-CG2 4.26Å; Y357-V365 PolarHBondContact N-O 3.46Å; Y357-V365 VanDerWaalsContact N-O 3.14Å; Y357-V365 PolarHBondContact O-N 3.37Å; Y357-I367 HydrophobicContact CD1-CD1 3.87Å; Y357-I367 HydrophobicContact CD1-CG1 4.17Å; Y357-I367 HydrophobicContact CE1-CD1 4.32Å; Y357-I367 HydrophobicContact CE1-CG1 4.31Å
358W93.8Very high83.5Confident16 Ų1679.8 Ų79.86%0.06137%0.371CS..EExtended strand (participates in β ladder)trans-118.8132.1174.9-17589.2000109.7G107 A108 S111 Y340 S341 I342 E360 K363G107-W358 VanDerWaalsContact C-CE2 3.47Å; G107-W358 VanDerWaalsContact C-CZ2 3.44Å; G107-W358 PolarHBondContact O-NE1 3.38Å; A108-W358 HydrophobicContact CB-CB 4.17Å; A108-W358 HydrophobicContact CB-CD2 3.75Å; A108-W358 HydrophobicContact CB-CE3 4.1Å; A108-W358 HydrophobicContact CB-CG 3.77Å; S111-W358 PolarHBondContact OG-NE1 3.23Å; Y340-W358 HydrophobicContact CD2-CZ3 4.27Å; Y340-W358 AromaticContact CE2-CE3 3.98Å; Y340-W358 HydrophobicContact CE2-CE3 3.98Å; Y340-W358 HydrophobicContact CE2-CH2 4.49Å; Y340-W358 AromaticContact CE2-CZ3 3.42Å; Y340-W358 HydrophobicContact CE2-CZ3 3.42Å; Y340-W358 VanDerWaalsContact CE2-CZ3 3.42Å; Y340-W358 AromaticContact CZ-CZ3 3.71Å; S341-W358 CarbonylContact C-O 3.56Å; S341-W358 VanDerWaalsContact CA-O 3.32Å; S341-W358 WeakPolarHBondContact CA-O 3.49Å; I342-W358 PolarHBondContact N-O 2.97Å; I342-W358 PolarHBondContact O-N 3.23Å; W358-E360 HydrophobicContact CH2-CG 3.91Å; W358-E360 HydrophobicContact CZ3-CG 4Å; W358-K363 WeakPolarHBondContact CA-O 3.44Å
359N90.7Very high81.9Confident24 Ų2479.3 Ų79.313%0.12837%0.372CS..EExtended strand (participates in β ladder)trans-132157.7171.8-166.80.1000109.6Y340 Y361 K363Y340-N359 PolarHBondContact O-OD1 2.84Å; Y340-N359 VanDerWaalsContact O-OD1 3.09Å; N359-Y361 PolarHBondContact O-N 3.37Å; N359-K363 PolarHBondContact N-O 3.08Å; N359-K363 VanDerWaalsContact N-O 3.11Å; N359-K363 VanDerWaalsContact O-CA 3.22Å; N359-K363 WeakPolarHBondContact O-CA 3.34Å; N359-K363 PolarHBondContact O-N 2.96Å
360E85.9Confident80.4Confident77 Ų7782.1 Ų82.136%0.3638%0.375SS..THydrogen-bonded Turntrans-61-33.8-178.7-65.2-179.9144.900112.5N339 Y340 W358N339-E360 PolarHBondContact N-OE2 3.11Å; Y340-E360 HydrophobicContact CE1-CG 4.1Å; Y340-E360 WeakPolarHBondContact CE1-OE1 3.36Å; W358-E360 HydrophobicContact CH2-CG 3.91Å; W358-E360 HydrophobicContact CZ3-CG 4Å
361Y86.8Confident78.9Confident163 Ų16379.3 Ų79.364%0.63937%0.365SS*.THydrogen-bonded Turntrans-83.8-49.3-177.3-55-76.8000113.2N339 N359N339-Y361 HydrophobicContact CB-CE2 4.37Å; N359-Y361 PolarHBondContact O-N 3.37Å
362E84.7Confident77.3Confident112 Ų11281.1 Ų81.152%0.52337%0.372SS..THydrogen-bonded Turntrans-91.4-5.4-173.4-63.1179.9136.800113Y357 V365Y357-E362 PolarHBondContact OH-OE2 3.42Å; E362-V365 HydrophobicContact CB-CG2 3.74Å
363K88.4Confident75Confident142 Ų14285.1 Ų85.162%0.61740%0.396SS*.EExtended strand (participates in β ladder)trans55-142.4-169.2-56.7-178.1178.2-178.60110W358 N359W358-K363 WeakPolarHBondContact CA-O 3.44Å; N359-K363 PolarHBondContact N-O 3.08Å; N359-K363 VanDerWaalsContact N-O 3.11Å; N359-K363 VanDerWaalsContact O-CA 3.22Å; N359-K363 WeakPolarHBondContact O-CA 3.34Å; N359-K363 PolarHBondContact O-N 2.96Å
364F90.5Very high72.8Confident31 Ų3185.6 Ų85.614%0.13641%0.407CS..EExtended strand (participates in β ladder)trans-83.2117.1-179.6-178.4-116.7000111L112 H115 V344 I355 Y366L112-F364 HydrophobicContact CD1-CE1 4.34Å; L112-F364 HydrophobicContact CD1-CE2 4.45Å; L112-F364 HydrophobicContact CD1-CZ 4.17Å; H115-F364 HydrophobicContact CB-CD1 3.93Å; H115-F364 HydrophobicContact CB-CE1 4.13Å; H115-F364 AromaticContact CD2-CE1 3.76Å; H115-F364 AromaticContact CE1-CE1 3.94Å; H115-F364 AromaticContact CG-CD1 3.84Å; H115-F364 AromaticContact CG-CE1 3.61Å; H115-F364 AromaticContact ND1-CD1 3.94Å; H115-F364 AromaticContact ND1-CE1 3.73Å; H115-F364 AromaticContact NE2-CE1 3.97Å; V344-F364 HydrophobicContact CB-CE2 3.86Å; V344-F364 HydrophobicContact CG1-CE2 4.4Å; V344-F364 HydrophobicContact CG2-CD2 4Å; V344-F364 HydrophobicContact CG2-CE2 3.52Å; I355-F364 HydrophobicContact CD1-CZ 4.28Å; F364-Y366 HydrophobicContact CE1-CD2 4.29Å; F364-Y366 HydrophobicContact CZ-CD2 4.35Å
365V89.1Confident70.5Confident44 Ų4485 Ų8527%0.26741%0.408SS..EExtended strand (participates in β ladder)trans-104.7113.2174.4-177.60000108.7G356 Y357 E362 I367G356-V365 WeakPolarHBondContact CA-O 3.31Å; Y357-V365 HydrophobicContact CD1-CB 4.45Å; Y357-V365 HydrophobicContact CE1-CB 4.01Å; Y357-V365 HydrophobicContact CE1-CG1 4.08Å; Y357-V365 HydrophobicContact CE2-CB 4.31Å; Y357-V365 HydrophobicContact CE2-CG2 4.26Å; Y357-V365 PolarHBondContact N-O 3.46Å; Y357-V365 VanDerWaalsContact N-O 3.14Å; Y357-V365 PolarHBondContact O-N 3.37Å; E362-V365 HydrophobicContact CB-CG2 3.74Å; V365-I367 PolarHBondContact O-N 3.19Å
366Y84.4Confident68.3Low106 Ų10688.4 Ų88.442%0.41643%0.432SS..EExtended strand (participates in β ladder)trans-77.5118.4174.1-174.5-98.1000109.4H115 I355 F364 M368H115-Y366 AromaticContact CE1-CD2 3.93Å; H115-Y366 AromaticContact NE2-CD2 3.9Å; I355-Y366 HydrophobicContact CB-CE2 4.16Å; F364-Y366 HydrophobicContact CE1-CD2 4.29Å; F364-Y366 HydrophobicContact CZ-CD2 4.35Å; Y366-M368 HydrophobicContact CD1-CG 3.68Å; Y366-M368 HydrophobicContact CE1-CG 3.72Å; Y366-M368 PolarHBondContact O-N 3.29Å; Y366-M368 VanDerWaalsContact O-N 3.11Å
367I82.1Confident65.9Low71 Ų7191 Ų9136%0.36445%0.45SS..  trans-80.596.6175.6-63.9166.1000106.8I355 Y357 V365 D369I355-I367 PolarHBondContact O-N 2.89Å; Y357-I367 HydrophobicContact CD1-CD1 3.87Å; Y357-I367 HydrophobicContact CD1-CG1 4.17Å; Y357-I367 HydrophobicContact CE1-CD1 4.32Å; Y357-I367 HydrophobicContact CE1-CG1 4.31Å; V365-I367 PolarHBondContact O-N 3.19Å; I367-D369 PolarHBondContact O-N 2.84Å; I367-D369 VanDerWaalsContact O-N 3.16Å
368M56.6Low63.7Low145 Ų14590.8 Ų90.871%0.71446%0.458SS*.  trans-68.3107.2161.9-76.2-168.8167.200107.7Y366 Q370Y366-M368 HydrophobicContact CD1-CG 3.68Å; Y366-M368 HydrophobicContact CE1-CG 3.72Å; Y366-M368 PolarHBondContact O-N 3.29Å; Y366-M368 VanDerWaalsContact O-N 3.11Å; M368-Q370 PolarHBondContact O-N 2.72Å
369D47.3Very low61.5Low64 Ų6493.4 Ų93.434%0.34248%0.475SS..  trans-61.1125.6170.5-156-17.8000108.4R353 I367 Q371 V372R353-D369 IonicContact CZ-OD2 3.16Å; R353-D369 IonicContact NH2-OD2 2.76Å; R353-D369 PolarHBondContact NH2-OD2 3.29Å; I367-D369 PolarHBondContact O-N 2.84Å; I367-D369 VanDerWaalsContact O-N 3.16Å; D369-Q371 PolarHBondContact O-N 3.17Å; D369-V372 HydrophobicContact CB-CG2 4.22Å; D369-V372 WeakPolarHBondContact O-CB 3.45Å; D369-V372 WeakPolarHBondContact O-CG2 3.4Å; D369-V372 PolarHBondContact O-N 3.24Å
370Q40Very low59.5Low180 Ų18096.8 Ų96.884%0.84149%0.49SS*.G310 helixtrans-66.7-4.2178.9-82.4-179.9-24.800112.8M368 V372 T373M368-Q370 PolarHBondContact O-N 2.72Å; Q370-V372 PolarHBondContact O-N 3.37Å; Q370-T373 PolarHBondContact O-OG1 2.88Å
371Q40.5Very low58.1Low156 Ų15698.9 Ų98.973%0.72950%0.504SS*.G310 helixtrans-73.6-0.9164.9-63.5-159.5-22.300114D369 T373D369-Q371 PolarHBondContact O-N 3.17Å; Q371-T373 VanDerWaalsContact C-N 3.3Å; Q371-T373 PolarHBondContact O-N 3.25Å
372V42.4Very low57.3Low58 Ų5897.1 Ų97.135%0.35250%0.496SS..G310 helixtrans-83.63.4177.8-179.90000112.6D369 Q370 N374 E375D369-V372 HydrophobicContact CB-CG2 4.22Å; D369-V372 WeakPolarHBondContact O-CB 3.45Å; D369-V372 WeakPolarHBondContact O-CG2 3.4Å; D369-V372 PolarHBondContact O-N 3.24Å; Q370-V372 PolarHBondContact O-N 3.37Å; V372-N374 PolarHBondContact O-N 3.1Å; V372-E375 HydrophobicContact CB-CB 4.28Å; V372-E375 HydrophobicContact CB-CG 4.21Å; V372-E375 HydrophobicContact CG1-CB 3.68Å; V372-E375 HydrophobicContact CG1-CG 3.97Å; V372-E375 HydrophobicContact CG2-CG 4.17Å; V372-E375 PolarHBondContact O-N 2.78Å
373T33.2Very low57.2Low126 Ų12695.1 Ų95.177%0.77349%0.492SS*.G310 helixtrans-70.9-15.9164.942.80000113Q370 Q371Q370-T373 PolarHBondContact O-OG1 2.88Å; Q371-T373 VanDerWaalsContact C-N 3.3Å; Q371-T373 PolarHBondContact O-N 3.25Å
374N35.9Very low57.3Low121 Ų12188.8 Ų88.865%0.64747%0.465SS*.G310 helixtrans-100.613.5170.2-73.8-17.4000113.1V372 S376 S377V372-N374 PolarHBondContact O-N 3.1Å; N374-S376 VanDerWaalsContact C-N 3.28Å; N374-S376 PolarHBondContact O-N 3.09Å; N374-S377 VanDerWaalsContact O-CB 3.26Å; N374-S377 WeakPolarHBondContact O-CB 3.36Å; N374-S377 PolarHBondContact O-N 2.81Å; N374-S377 VanDerWaalsContact O-N 3.08Å; N374-S377 PolarHBondContact O-OG 2.9Å
375E39.9Very low57.4Low80 Ų8088.6 Ų88.637%0.37447%0.466SS..THydrogen-bonded Turntrans-87.323.5178.7-86.7-155.5-161.900114.8V372 S377 S378V372-E375 HydrophobicContact CB-CB 4.28Å; V372-E375 HydrophobicContact CB-CG 4.21Å; V372-E375 HydrophobicContact CG1-CB 3.68Å; V372-E375 HydrophobicContact CG1-CG 3.97Å; V372-E375 HydrophobicContact CG2-CG 4.17Å; V372-E375 PolarHBondContact O-N 2.78Å; E375-S377 PolarHBondContact O-N 3.45Å; E375-S378 PolarHBondContact OE2-OG 3.04Å
376S41.2Very low57.7Low80 Ų8086.8 Ų86.856%0.55946%0.455SS*.Hα-helixtrans-59.8-27.314357.10000110.3N374 E380N374-S376 VanDerWaalsContact C-N 3.28Å; N374-S376 PolarHBondContact O-N 3.09Å; S376-E380 VanDerWaalsContact O-CD 3.28Å; S376-E380 WeakPolarHBondContact O-CG 3.45Å; S376-E380 PolarHBondContact O-N 2.76Å
377S39.7Very low58.2Low53 Ų5381.7 Ų81.737%0.37144%0.435SS..Hα-helixtrans-77.5-17.8-176.970.10000116.7N374 E375 E380 N381N374-S377 VanDerWaalsContact O-CB 3.26Å; N374-S377 WeakPolarHBondContact O-CB 3.36Å; N374-S377 PolarHBondContact O-N 2.81Å; N374-S377 VanDerWaalsContact O-N 3.08Å; N374-S377 PolarHBondContact O-OG 2.9Å; E375-S377 PolarHBondContact O-N 3.45Å; S377-E380 WeakPolarHBondContact CA-OE2 3.39Å; S377-E380 PolarHBondContact O-N 3.45Å; S377-N381 PolarHBondContact O-N 3.46Å
378S44.5Very low58.9Low58 Ų5878.4 Ų78.441%0.40642%0.418SS..Hα-helixtrans-80-27.4178.772.60000112.4E375E375-S378 PolarHBondContact OE2-OG 3.04Å
379V48.5Very low60.7Low70 Ų7072.2 Ų72.242%0.42439%0.388SS..Hα-helixtrans-77.9-33.2168.1-176.30000111N381 I427V379-N381 VanDerWaalsContact C-N 3.32Å; V379-N381 PolarHBondContact O-N 3.23Å; V379-I427 HydrophobicContact CG1-CG2 4.2Å
380E48.1Very low62.8Low95 Ų9572.2 Ų72.244%0.44439%0.387SS..Hα-helixtrans-66.4-25.4-177.9-75.5164.2-169.200114.3S376 S377S376-E380 VanDerWaalsContact O-CD 3.28Å; S376-E380 WeakPolarHBondContact O-CG 3.45Å; S376-E380 PolarHBondContact O-N 2.76Å; S377-E380 WeakPolarHBondContact CA-OE2 3.39Å; S377-E380 PolarHBondContact O-N 3.45Å
381N55.7Low65.3Low121 Ų12164.7 Ų64.765%0.64735%0.351SS*.THydrogen-bonded Turntrans-103-1.7-178.3-85.6-34.5000115.8S377 V379S377-N381 PolarHBondContact O-N 3.46Å; V379-N381 VanDerWaalsContact C-N 3.32Å; V379-N381 PolarHBondContact O-N 3.23Å
382R69.9Low67.7Low127 Ų12759.1 Ų59.148%0.47933%0.332SS..SBendtrans-91.6124.3175.2-175176.7178.8145.2-1.7110.4I384R382-I384 PolarHBondContact O-N 3.05Å
383T84.1Confident70.2Confident70 Ų7056.3 Ų56.343%0.42932%0.315SS..  trans-70.2112.8172-48.60000110.1K428 K430T383-K428 WeakPolarHBondContact CA-O 3.46Å; T383-K430 HydrophobicContact CG2-CB 3.79Å
384I89.7Confident73.1Confident8 Ų850.3 Ų50.34%0.04128%0.278CS..EExtended strand (participates in β ladder)trans-73.8129177.5-59.2-53.9000109.6R382 V386 I427 K428 Y429 K430 D462 I463 L732R382-I384 PolarHBondContact O-N 3.05Å; I384-V386 PolarHBondContact O-N 2.86Å; I384-I427 HydrophobicContact CB-CD1 4.37Å; I384-I427 HydrophobicContact CG1-CB 4.19Å; I384-I427 HydrophobicContact CG1-CD1 3.99Å; I384-I427 HydrophobicContact CG1-CG2 4.46Å; I384-I427 HydrophobicContact CG2-CD1 4.46Å; I384-K428 PolarHBondContact N-O 3.13Å; I384-Y429 CarbonylContact O-C 3.57Å; I384-Y429 WeakPolarHBondContact O-CA 3.18Å; I384-K430 PolarHBondContact O-N 2.9Å; I384-D462 WeakPolarHBondContact CA-OD2 3.17Å; I384-D462 HydrophobicContact CG2-CB 3.7Å; I384-I463 HydrophobicContact CG2-CG2 3.78Å; I384-L732 HydrophobicContact CD1-CD1 4.2Å; I384-L732 HydrophobicContact CG2-CD1 4.32Å
385V91.9Very high76Confident28 Ų2844.7 Ų44.717%0.1725%0.248CC..EExtended strand (participates in β ladder)trans-87.5109.9177-179.30000108.7A461 D462 I463V385-A461 HydrophobicContact CG1-CB 4.33Å; V385-D462 PolarHBondContact N-OD2 2.76Å; V385-D462 PolarHBondContact O-N 2.88Å; V385-I463 PolarHBondContact O-N 2.67Å
386V95.8Very high78.6Confident5 Ų542.8 Ų42.83%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-94.6108.7177.8179.80000108I384 Y429 K430 L431 S432 I463 V465I384-V386 PolarHBondContact O-N 2.86Å; V386-Y429 HydrophobicContact CG2-CD2 3.97Å; V386-Y429 HydrophobicContact CG2-CG 4.22Å; V386-K430 PolarHBondContact N-O 2.54Å; V386-L431 HydrophobicContact CB-CD2 4.06Å; V386-L431 HydrophobicContact CG1-CD2 3.88Å; V386-S432 PolarHBondContact O-N 2.93Å; V386-I463 CarbonylContact C-O 3.49Å; V386-I463 WeakPolarHBondContact CA-O 3.35Å; V386-I463 HydrophobicContact CB-CG2 4.03Å; V386-I463 HydrophobicContact CG1-CG2 4.2Å; V386-I463 HydrophobicContact CG2-CG2 3.52Å; V386-V465 HydrophobicContact CG1-CB 3.84Å; V386-V465 HydrophobicContact CG1-CG2 3.82Å
387T96.3Very high81Confident0 Ų044.2 Ų44.20%023%0.234CC..EExtended strand (participates in β ladder)trans-82.2141.5174.1-171.10000111.4S432 M452 E455 L456 A461 I463 A464 V465T387-S432 CarbonylContact C-O 3.49Å; T387-S432 WeakPolarHBondContact CA-O 3.36Å; T387-M452 HydrophobicContact CG2-CB 4.23Å; T387-M452 HydrophobicContact CG2-CG 4.4Å; T387-E455 WeakPolarHBondContact CB-OE2 3.29Å; T387-E455 PolarHBondContact OG1-OE2 3.18Å; T387-L456 HydrophobicContact CG2-CD2 4.35Å; T387-A461 HydrophobicContact CG2-CB 3.64Å; T387-I463 PolarHBondContact N-O 2.93Å; T387-A464 HydrophobicContact CG2-CB 3.5Å; T387-A464 WeakPolarHBondContact O-CA 3.47Å; T387-V465 PolarHBondContact O-N 2.75Å
388T95.6Very high83.5Confident2 Ų244.3 Ų44.31%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-154.3174.8178.5-159.90000111.7V395 S432 I433 V434 V465T388-V395 HydrophobicContact CG2-CG1 4.25Å; T388-V395 HydrophobicContact CG2-CG2 3.95Å; T388-V395 WeakPolarHBondContact OG1-CG2 3.36Å; T388-S432 PolarHBondContact N-O 3.17Å; T388-I433 HydrophobicContact CG2-CD1 3.68Å; T388-I433 WeakPolarHBondContact O-CA 3.39Å; T388-V434 PolarHBondContact O-N 3.42Å; T388-V465 WeakPolarHBondContact CB-O 3.26Å; T388-V465 PolarHBondContact OG1-O 3.46Å
389I93.8Very high85.6Confident14 Ų1451 Ų517%0.07225%0.25CC..  trans-124.1144.5-178.1-171.2169.6000110.3E391 V395 V434 G437 Y439 M452 P467I389-E391 PolarHBondContact O-N 3.17Å; I389-V395 WeakPolarHBondContact O-CB 3.32Å; I389-V434 HydrophobicContact CB-CG1 4.12Å; I389-V434 HydrophobicContact CD1-CG1 4.47Å; I389-V434 HydrophobicContact CG1-CG1 4.13Å; I389-G437 WeakPolarHBondContact CD1-O 3.46Å; I389-Y439 HydrophobicContact CD1-CE1 4.43Å; I389-Y439 HydrophobicContact CG2-CE1 4.06Å; I389-M452 HydrophobicContact CB-CE 4.08Å; I389-M452 HydrophobicContact CB-SD 4.11Å; I389-M452 HydrophobicContact CG2-CE 3.82Å; I389-M452 HydrophobicContact CG2-SD 4.25Å; I389-P467 HydrophobicContact CG2-CG 4.43Å
390M92.5Very high87.6Confident65 Ų6552 Ų5232%0.3225%0.253SS..  trans-74.4103.4177.1-66-61.1-56.900110.4V395 Y397 Y410 I433M390-V395 HydrophobicContact SD-CG1 3.95Å; M390-Y397 HydrophobicContact CE-CD1 4.37Å; M390-Y397 HydrophobicContact CE-CD2 3.38Å; M390-Y397 HydrophobicContact CE-CE1 4.38Å; M390-Y397 HydrophobicContact CE-CE2 3.39Å; M390-Y397 HydrophobicContact CE-CG 3.89Å; M390-Y397 HydrophobicContact SD-CE2 4.12Å; M390-Y410 HydrophobicContact SD-CD1 4.14Å; M390-Y410 HydrophobicContact SD-CE1 3.99Å; M390-I433 HydrophobicContact CG-CD1 4.12Å; M390-I433 HydrophobicContact CG-CG1 4.36Å; M390-I433 HydrophobicContact CG-CG2 3.93Å; M390-I433 HydrophobicContact SD-CD1 3.59Å; M390-I433 VanDerWaalsContact SD-CD1 3.59Å; M390-I433 HydrophobicContact SD-CG1 4.09Å
391E91.4Very high89.3Confident21 Ų2151.7 Ų51.710%0.09825%0.248CC..BIsolated β-bridgetrans-153.1125.2-178.8-172.5164.6-143.200111.2I389 Y394 V395 Y439 P467 T676 M698I389-E391 PolarHBondContact O-N 3.17Å; E391-Y394 HydrophobicContact CB-CD2 4.44Å; E391-Y394 HydrophobicContact CG-CD2 4.13Å; E391-Y394 CarbonylContact O-C 2.89Å; E391-Y394 WeakPolarHBondContact O-CA 3.36Å; E391-Y394 WeakPolarHBondContact O-CB 3.49Å; E391-Y394 PolarHBondContact O-N 2.88Å; E391-V395 CarbonylContact C-O 3.52Å; E391-V395 PolarHBondContact N-O 3.09Å; E391-V395 PolarHBondContact O-N 2.97Å; E391-Y439 PolarHBondContact OE1-OH 2.92Å; E391-Y439 PolarHBondContact OE2-OH 3.29Å; E391-P467 WeakPolarHBondContact OE2-CG 3.24Å; E391-T676 PolarHBondContact OE1-OG1 2.88Å; E391-M698 VanDerWaalsContact CD-CE 3.47Å; E391-M698 HydrophobicContact CG-CE 3.45Å; E391-M698 VanDerWaalsContact CG-CE 3.45Å; E391-M698 WeakPolarHBondContact OE1-CE 3.14Å
392A91.9Very high90.7Very high39 Ų3953.2 Ų53.232%0.32225%0.253SS..THydrogen-bonded Turntrans-80.7135.4-179.100000111.3M396 M698 Y701A392-M396 HydrophobicContact CB-CG 3.8Å; A392-M396 HydrophobicContact CB-SD 3.51Å; A392-M396 VanDerWaalsContact CB-SD 3.51Å; A392-M698 WeakPolarHBondContact O-CE 3.29Å; A392-Y701 HydrophobicContact CB-CE1 3.96Å
393P94.3Very high91.5Very high0 Ų055.2 Ų55.20%027%0.267CS..THydrogen-bonded Turncis-95.514.72.937.3-33.4000114.4M396 G412 Y413 Y701 W756 W757P393-M396 HydrophobicContact CB-CE 4.36Å; P393-G412 CarbonylContact O-C 3.59Å; P393-G412 VanDerWaalsContact O-CA 3.24Å; P393-G412 WeakPolarHBondContact O-CA 3.39Å; P393-Y413 PolarHBondContact O-N 2.71Å; P393-Y701 HydrophobicContact CB-CD2 4.02Å; P393-Y701 HydrophobicContact CB-CE1 4.49Å; P393-Y701 HydrophobicContact CB-CE2 3.41Å; P393-Y701 VanDerWaalsContact CB-CE2 3.41Å; P393-Y701 HydrophobicContact CG-CD1 4.48Å; P393-Y701 HydrophobicContact CG-CD2 3.52Å; P393-Y701 HydrophobicContact CG-CE1 4.45Å; P393-Y701 HydrophobicContact CG-CE2 3.47Å; P393-Y701 VanDerWaalsContact CG-CE2 3.47Å; P393-Y701 HydrophobicContact CG-CG 4.02Å; P393-W756 HydrophobicContact CB-CB 4.36Å; P393-W756 HydrophobicContact CB-CE3 4.43Å; P393-W757 HydrophobicContact CG-CD2 4.17Å; P393-W757 HydrophobicContact CG-CE3 4.12Å; P393-W757 HydrophobicContact CG-CH2 3.61Å; P393-W757 HydrophobicContact CG-CZ2 3.66Å; P393-W757 HydrophobicContact CG-CZ3 3.86Å
394Y95.1Very high91.5Very high0 Ų054.8 Ų54.80%026%0.262CS..THydrogen-bonded Turntrans-69.7-52.1-175.5-58.6-78.7000112.6E391 G412 Y413 C414 P467 T697 M698 Y722 W757E391-Y394 HydrophobicContact CB-CD2 4.44Å; E391-Y394 HydrophobicContact CG-CD2 4.13Å; E391-Y394 CarbonylContact O-C 2.89Å; E391-Y394 WeakPolarHBondContact O-CA 3.36Å; E391-Y394 WeakPolarHBondContact O-CB 3.49Å; E391-Y394 PolarHBondContact O-N 2.88Å; Y394-G412 CarbonylContact O-C 3.46Å; Y394-G412 VanDerWaalsContact O-CA 3.26Å; Y394-G412 WeakPolarHBondContact O-CA 3.38Å; Y394-Y413 HydrophobicContact CD1-CD1 4.34Å; Y394-Y413 PolarHBondContact O-N 3Å; Y394-Y413 VanDerWaalsContact O-N 3.09Å; Y394-C414 WeakPolarHBondContact O-CB 3.35Å; Y394-C414 PolarHBondContact O-N 2.93Å; Y394-P467 HydrophobicContact CD1-CB 3.99Å; Y394-P467 HydrophobicContact CD1-CG 4.18Å; Y394-P467 HydrophobicContact CD2-CB 4.03Å; Y394-P467 HydrophobicContact CD2-CG 3.73Å; Y394-P467 HydrophobicContact CE1-CB 3.93Å; Y394-P467 HydrophobicContact CE2-CB 3.97Å; Y394-P467 HydrophobicContact CE2-CG 4.13Å; Y394-P467 HydrophobicContact CG-CB 4.04Å; Y394-P467 HydrophobicContact CG-CG 3.75Å; Y394-T697 VanDerWaalsContact OH-CB 3.3Å; Y394-T697 WeakPolarHBondContact OH-CB 3.44Å; Y394-T697 PolarHBondContact OH-OG1 2.86Å; Y394-M698 HydrophobicContact CE2-CE 4.16Å; Y394-Y722 HydrophobicContact CE1-CD2 4.43Å; Y394-Y722 AromaticContact CE1-CE2 3.99Å; Y394-Y722 HydrophobicContact CE1-CE2 3.99Å; Y394-Y722 AromaticContact CZ-CE2 3.85Å; Y394-Y722 WeakPolarHBondContact OH-CE2 3.46Å; Y394-W757 HydrophobicContact CD1-CH2 4.12Å; Y394-W757 AromaticContact CE1-CH2 3.56Å; Y394-W757 HydrophobicContact CE1-CH2 3.56Å; Y394-W757 AromaticContact CE1-CZ2 3.97Å; Y394-W757 HydrophobicContact CE1-CZ2 3.97Å; Y394-W757 HydrophobicContact CE2-CZ2 4.46Å; Y394-W757 AromaticContact CZ-CH2 3.85Å; Y394-W757 AromaticContact CZ-CZ2 3.76Å
395V95.9Very high91.3Very high3 Ų361.3 Ų61.32%0.01830%0.296CS..BIsolated β-bridgetrans-143.9122.1176.5-174.70000109.3T388 I389 M390 E391 Y410 C414 V415 I433T388-V395 HydrophobicContact CG2-CG1 4.25Å; T388-V395 HydrophobicContact CG2-CG2 3.95Å; T388-V395 WeakPolarHBondContact OG1-CG2 3.36Å; I389-V395 WeakPolarHBondContact O-CB 3.32Å; M390-V395 HydrophobicContact SD-CG1 3.95Å; E391-V395 CarbonylContact C-O 3.52Å; E391-V395 PolarHBondContact N-O 3.09Å; E391-V395 PolarHBondContact O-N 2.97Å; V395-Y410 HydrophobicContact CG1-CD1 4.1Å; V395-Y410 HydrophobicContact CG1-CG 4.42Å; V395-C414 HydrophobicContact CG2-CB 3.86Å; V395-V415 HydrophobicContact CG1-CG2 4.24Å; V395-V415 HydrophobicContact CG2-CG2 4.3Å; V395-I433 HydrophobicContact CG1-CD1 4.45Å
396M94Very high91.1Very high40 Ų4061.7 Ų61.720%0.19731%0.306CS..EExtended strand (participates in β ladder)trans-135.5156.9-178.6-61179.1-67.400109.4A392 P393 Y410 E411 W756A392-M396 HydrophobicContact CB-CG 3.8Å; A392-M396 HydrophobicContact CB-SD 3.51Å; A392-M396 VanDerWaalsContact CB-SD 3.51Å; P393-M396 HydrophobicContact CB-CE 4.36Å; M396-Y410 CarbonylContact O-C 3.54Å; M396-Y410 WeakPolarHBondContact O-CA 3.2Å; M396-E411 WeakPolarHBondContact CA-O 3.26Å; M396-E411 HydrophobicContact CB-CG 4.33Å; M396-E411 PolarHBondContact N-O 3.48Å; M396-E411 PolarHBondContact O-N 3Å; M396-W756 HydrophobicContact CE-CE3 4.06Å; M396-W756 HydrophobicContact CE-CZ3 3.58Å
397Y92.7Very high90.9Very high110 Ų11063.2 Ų63.243%0.43131%0.314SS..EExtended strand (participates in β ladder)trans-76137167.9-72.9-65.9000109.8M390 Y401 Y410M390-Y397 HydrophobicContact CE-CD1 4.37Å; M390-Y397 HydrophobicContact CE-CD2 3.38Å; M390-Y397 HydrophobicContact CE-CE1 4.38Å; M390-Y397 HydrophobicContact CE-CE2 3.39Å; M390-Y397 HydrophobicContact CE-CG 3.89Å; M390-Y397 HydrophobicContact SD-CE2 4.12Å; Y397-Y401 HydrophobicContact CD1-CD2 4.12Å; Y397-Y401 HydrophobicContact CD1-CG 4.06Å; Y397-Y401 HydrophobicContact CE1-CD2 4.49Å; Y397-Y401 HydrophobicContact CG-CG 4.32Å; Y397-Y410 HydrophobicContact CD1-CD1 4.12Å; Y397-Y410 AromaticContact CD1-CE1 4Å; Y397-Y410 HydrophobicContact CD1-CE1 4Å; Y397-Y410 HydrophobicContact CE1-CD1 4Å; Y397-Y410 AromaticContact CE1-CE1 3.41Å; Y397-Y410 HydrophobicContact CE1-CE1 3.41Å; Y397-Y410 VanDerWaalsContact CE1-CE1 3.41Å
398K92.4Very high90.6Very high55 Ų5568.2 Ų68.224%0.23934%0.341CS..  trans-63.8152.7165.5-70.4-171.4-171.5157.60109.8N400 Y401 M404 D408 R409 Y410 E411K398-N400 PolarHBondContact O-N 3.33Å; K398-N400 VanDerWaalsContact O-N 3.13Å; K398-Y401 WeakPolarHBondContact O-CB 3.32Å; K398-Y401 WeakPolarHBondContact O-CD1 3.37Å; K398-Y401 PolarHBondContact O-N 3.32Å; K398-Y401 VanDerWaalsContact O-N 3.1Å; K398-M404 HydrophobicContact CD-CE 4.38Å; K398-M404 HydrophobicContact CD-SD 3.83Å; K398-D408 WeakPolarHBondContact CD-O 3Å; K398-D408 WeakPolarHBondContact CE-O 3.31Å; K398-D408 PolarHBondContact NZ-O 3.45Å; K398-R409 PolarHBondContact N-O 3.09Å; K398-Y410 WeakPolarHBondContact CE-O 3.37Å; K398-E411 HydrophobicContact CD-CB 4.49Å; K398-E411 HydrophobicContact CG-CB 3.73Å; K398-E411 HydrophobicContact CG-CG 3.76Å
399K87.8Confident90.4Very high199 Ų19971.9 Ų71.987%0.86535%0.354SS*.THydrogen-bonded Turntrans-54.6-35177.2-66.1-174.8178.9-179.40113.3
400N90.4Very high90.4Very high91 Ų9171.9 Ų71.949%0.48735%0.354SS..THydrogen-bonded Turntrans-103.129.3-178.5-60.9-0.5000113K398 M402 Q403 M404K398-N400 PolarHBondContact O-N 3.33Å; K398-N400 VanDerWaalsContact O-N 3.13Å; N400-M402 PolarHBondContact O-N 3.02Å; N400-M402 VanDerWaalsContact O-N 3.1Å; N400-Q403 PolarHBondContact O-N 3.1Å; N400-M404 HydrophobicContact CB-CE 4.22Å
401Y85.2Confident90.6Very high88 Ų8871.6 Ų71.635%0.34535%0.351SS..G310 helixtrans-58.2-27.2-173.375.3-84.8000114.6Y397 K398 Q403 M404Y397-Y401 HydrophobicContact CD1-CD2 4.12Å; Y397-Y401 HydrophobicContact CD1-CG 4.06Å; Y397-Y401 HydrophobicContact CE1-CD2 4.49Å; Y397-Y401 HydrophobicContact CG-CG 4.32Å; K398-Y401 WeakPolarHBondContact O-CB 3.32Å; K398-Y401 WeakPolarHBondContact O-CD1 3.37Å; K398-Y401 PolarHBondContact O-N 3.32Å; K398-Y401 VanDerWaalsContact O-N 3.1Å; Y401-Q403 PolarHBondContact O-N 3.13Å; Y401-M404 PolarHBondContact O-N 3.4Å
402M83.9Confident90.7Very high153 Ų15370.6 Ų70.675%0.75435%0.347SS*.G310 helixtrans-69.5-21.4179.3-65.6-174.217900113.3N400N400-M402 PolarHBondContact O-N 3.02Å; N400-M402 VanDerWaalsContact O-N 3.1Å
403Q85.9Confident91Very high168 Ų16868.8 Ų68.879%0.78533%0.331SS*.G310 helixtrans-97.5-4.7-179.8-64.9176.2-11.200112.6N400 Y401N400-Q403 PolarHBondContact O-N 3.1Å; Y401-Q403 PolarHBondContact O-N 3.13Å
404M85.3Confident91Very high62 Ų6268.9 Ų68.931%0.30533%0.332SS..  trans-111147.5-177-63.6-178.7-176.500109.5K398 N400 Y401 D408 R409K398-M404 HydrophobicContact CD-CE 4.38Å; K398-M404 HydrophobicContact CD-SD 3.83Å; N400-M404 HydrophobicContact CB-CE 4.22Å; Y401-M404 PolarHBondContact O-N 3.4Å; M404-D408 HydrophobicContact CB-CB 4.43Å; M404-D408 HydrophobicContact SD-CB 4.45Å; M404-D408 VanDerWaalsContact SD-O 3.41Å; M404-R409 HydrophobicContact CB-CG 4.03Å; M404-R409 WeakPolarHBondContact O-CD 3.48Å; M404-R409 WeakPolarHBondContact O-CG 3.3Å
405D85Confident91.1Very high144 Ų14469.7 Ų69.777%0.7734%0.337SS*.  trans-112.7153.2178.1-82.8-43.3000112.2
406G88Confident91.1Very high36 Ų3671.3 Ų71.337%0.37135%0.346SS..G310 helixtrans68.6-131.8174.100000114.4R409G406-R409 PolarHBondContact O-NE 3.48Å
407N90.8Very high91.2Very high38 Ų3869.4 Ų69.420%0.20334%0.336CS..G310 helixtrans-74.5-26.5-174.3-65.6-13.7000112.5R409 Y410 Y429 K430 L431N407-R409 PolarHBondContact O-N 3.31Å; N407-R409 VanDerWaalsContact O-N 3.11Å; N407-Y410 PolarHBondContact O-N 2.88Å; N407-Y429 PolarHBondContact ND2-O 3.04Å; N407-K430 WeakPolarHBondContact OD1-CA 3.34Å; N407-L431 HydrophobicContact CB-CD1 4.32Å; N407-L431 PolarHBondContact OD1-N 3.37Å
408D89.9Confident91.3Very high105 Ų10564.4 Ų64.456%0.56132%0.318SS*.G310 helixtrans-68.8-12.4-174.7-71.3-40.5000113.8K398 M404 Y410K398-D408 WeakPolarHBondContact CD-O 3Å; K398-D408 WeakPolarHBondContact CE-O 3.31Å; K398-D408 PolarHBondContact NZ-O 3.45Å; M404-D408 HydrophobicContact CB-CB 4.43Å; M404-D408 HydrophobicContact SD-CB 4.45Å; M404-D408 VanDerWaalsContact SD-O 3.41Å; D408-Y410 PolarHBondContact O-N 3.47Å
409R92.4Very high91.5Very high79 Ų7964.4 Ų64.430%0.29833%0.325SS..G310 helixtrans-65.8-24.5174.7-62.9-177-63.1170.87113.1K398 M404 G406 N407K398-R409 PolarHBondContact N-O 3.09Å; M404-R409 HydrophobicContact CB-CG 4.03Å; M404-R409 WeakPolarHBondContact O-CD 3.48Å; M404-R409 WeakPolarHBondContact O-CG 3.3Å; G406-R409 PolarHBondContact O-NE 3.48Å; N407-R409 PolarHBondContact O-N 3.31Å; N407-R409 VanDerWaalsContact O-N 3.11Å
410Y94.7Very high91.8Very high14 Ų1457.3 Ų57.36%0.05529%0.294CS..EExtended strand (participates in β ladder)trans-103.1149.3-174.6-52.8-73.2000111.1M390 V395 M396 Y397 K398 N407 D408 L431 I433M390-Y410 HydrophobicContact SD-CD1 4.14Å; M390-Y410 HydrophobicContact SD-CE1 3.99Å; V395-Y410 HydrophobicContact CG1-CD1 4.1Å; V395-Y410 HydrophobicContact CG1-CG 4.42Å; M396-Y410 CarbonylContact O-C 3.54Å; M396-Y410 WeakPolarHBondContact O-CA 3.2Å; Y397-Y410 HydrophobicContact CD1-CD1 4.12Å; Y397-Y410 AromaticContact CD1-CE1 4Å; Y397-Y410 HydrophobicContact CD1-CE1 4Å; Y397-Y410 HydrophobicContact CE1-CD1 4Å; Y397-Y410 AromaticContact CE1-CE1 3.41Å; Y397-Y410 HydrophobicContact CE1-CE1 3.41Å; Y397-Y410 VanDerWaalsContact CE1-CE1 3.41Å; K398-Y410 WeakPolarHBondContact CE-O 3.37Å; N407-Y410 PolarHBondContact O-N 2.88Å; D408-Y410 PolarHBondContact O-N 3.47Å; Y410-L431 HydrophobicContact CD2-CB 4.07Å; Y410-L431 HydrophobicContact CD2-CD1 3.85Å; Y410-L431 HydrophobicContact CE2-CB 4.19Å; Y410-L431 HydrophobicContact CG-CD1 4.34Å; Y410-I433 HydrophobicContact CD1-CD1 4.42Å; Y410-I433 HydrophobicContact CE1-CD1 3.84Å; Y410-I433 HydrophobicContact CE1-CG1 3.91Å
411E94.9Very high91.9Very high58 Ų5853.1 Ų53.127%0.27127%0.272SS..EExtended strand (participates in β ladder)trans-142150170.166.2176.1176.500110.3M396 K398 W756M396-E411 WeakPolarHBondContact CA-O 3.26Å; M396-E411 HydrophobicContact CB-CG 4.33Å; M396-E411 PolarHBondContact N-O 3.48Å; M396-E411 PolarHBondContact O-N 3Å; K398-E411 HydrophobicContact CD-CB 4.49Å; K398-E411 HydrophobicContact CG-CB 3.73Å; K398-E411 HydrophobicContact CG-CG 3.76Å; E411-W756 HydrophobicContact CB-CH2 4.08Å; E411-W756 HydrophobicContact CG-CH2 4.37Å
412G95.3Very high92.3Very high0 Ų049.3 Ų49.30%026%0.259CS..SBendtrans150.9177.1177.200000113P393 Y394 C414 V415 D416 W756P393-G412 CarbonylContact O-C 3.59Å; P393-G412 VanDerWaalsContact O-CA 3.24Å; P393-G412 WeakPolarHBondContact O-CA 3.39Å; Y394-G412 CarbonylContact O-C 3.46Å; Y394-G412 VanDerWaalsContact O-CA 3.26Å; Y394-G412 WeakPolarHBondContact O-CA 3.38Å; G412-C414 PolarHBondContact O-N 3.19Å; G412-V415 PolarHBondContact O-N 3.13Å; G412-D416 PolarHBondContact O-N 3.36Å; G412-W756 VanDerWaalsContact C-CZ2 3.48Å; G412-W756 VanDerWaalsContact CA-CH2 3.41Å; G412-W756 VanDerWaalsContact CA-CZ2 3.45Å; G412-W756 VanDerWaalsContact N-CH2 3.25Å
413Y96.2Very high92.7Very high1 Ų149.7 Ų49.70%0.00426%0.256CS..Hα-helixtrans-59-45.2-179.8179.9-87.2000112.5P393 Y394 V415 D416 L417 F484 M485 L752 K753 W756 W757P393-Y413 PolarHBondContact O-N 2.71Å; Y394-Y413 HydrophobicContact CD1-CD1 4.34Å; Y394-Y413 PolarHBondContact O-N 3Å; Y394-Y413 VanDerWaalsContact O-N 3.09Å; Y413-V415 VanDerWaalsContact C-N 3.3Å; Y413-V415 PolarHBondContact O-N 3.45Å; Y413-D416 PolarHBondContact O-N 3.38Å; Y413-L417 HydrophobicContact CE1-CD2 4.13Å; Y413-L417 VanDerWaalsContact O-CB 3.3Å; Y413-L417 WeakPolarHBondContact O-CB 3.39Å; Y413-L417 PolarHBondContact O-N 3.4Å; Y413-F484 HydrophobicContact CD1-CE2 4.49Å; Y413-F484 AromaticContact CE1-CD2 3.93Å; Y413-F484 HydrophobicContact CE1-CD2 3.93Å; Y413-F484 AromaticContact CE1-CE2 3.62Å; Y413-F484 HydrophobicContact CE1-CE2 3.62Å; Y413-M485 HydrophobicContact CD1-CE 4.47Å; Y413-M485 HydrophobicContact CD2-CE 4.49Å; Y413-M485 HydrophobicContact CE1-CE 3.87Å; Y413-M485 HydrophobicContact CE2-CE 3.86Å; Y413-L752 HydrophobicContact CD2-CB 3.89Å; Y413-L752 HydrophobicContact CE2-CB 3.54Å; Y413-K753 HydrophobicContact CE2-CB 4.41Å; Y413-W756 AromaticContact CD2-CD1 3.99Å; Y413-W757 AromaticContact CD2-CZ3 3.7Å; Y413-W757 HydrophobicContact CD2-CZ3 3.7Å; Y413-W757 HydrophobicContact CE2-CZ3 4.43Å; Y413-W757 HydrophobicContact CG-CH2 4.3Å; Y413-W757 AromaticContact CG-CZ3 3.86Å; Y413-W757 HydrophobicContact CG-CZ3 3.86Å
414C96.4Very high92.8Very high3 Ų345 Ų452%0.0223%0.234CC..Hα-helixtrans-72.3-25.4-179.9-71.90000112.5Y394 V395 G412 A418 V465Y394-C414 WeakPolarHBondContact O-CB 3.35Å; Y394-C414 PolarHBondContact O-N 2.93Å; V395-C414 HydrophobicContact CG2-CB 3.86Å; G412-C414 PolarHBondContact O-N 3.19Å; C414-A418 VanDerWaalsContact O-CB 3.23Å; C414-A418 WeakPolarHBondContact O-CB 3.44Å; C414-A418 PolarHBondContact O-N 3.42Å; C414-V465 HydrophobicContact CB-CG1 4.26Å
415V96.4Very high93Very high16 Ų1644 Ų4410%0.09723%0.231CC..Hα-helixtrans-69.8-48.2174-178.60000110.2V395 G412 Y413 L417 A418 S419 L431V395-V415 HydrophobicContact CG1-CG2 4.24Å; V395-V415 HydrophobicContact CG2-CG2 4.3Å; G412-V415 PolarHBondContact O-N 3.13Å; Y413-V415 VanDerWaalsContact C-N 3.3Å; Y413-V415 PolarHBondContact O-N 3.45Å; V415-L417 VanDerWaalsContact C-N 3.35Å; V415-A418 PolarHBondContact O-N 2.98Å; V415-S419 PolarHBondContact O-N 3.01Å; V415-L431 HydrophobicContact CG1-CD1 4.2Å; V415-L431 HydrophobicContact CG2-CD1 4.27Å
416D96.1Very high93.1Very high37 Ų3739.2 Ų39.220%0.19822%0.217CC..Hα-helixtrans-61.8-44.1175-72-9.7000110.7G412 Y413 A418 S419 E420 L752 K755 W756G412-D416 PolarHBondContact O-N 3.36Å; Y413-D416 PolarHBondContact O-N 3.38Å; D416-A418 PolarHBondContact O-N 3.42Å; D416-S419 WeakPolarHBondContact O-CB 3.48Å; D416-S419 PolarHBondContact O-N 2.9Å; D416-E420 WeakPolarHBondContact O-CG 3.42Å; D416-E420 PolarHBondContact O-N 3.13Å; D416-L752 HydrophobicContact CB-CD1 4.36Å; D416-L752 HydrophobicContact CB-CD2 3.81Å; D416-K755 IonicContact OD1-NZ 2.8Å; D416-K755 IonicContact OD2-NZ 3.55Å; D416-K755 PolarHBondContact OD2-NZ 3.39Å; D416-W756 WeakPolarHBondContact OD2-CZ2 3.49Å; D416-W756 PolarHBondContact OD2-NE1 3.2Å
417L95.8Very high93Very high0 Ų038.5 Ų38.50%020%0.204CC..Hα-helixtrans-61.7-44.2177.2-179.862.4000112.3Y413 V415 S419 E420 I421 V465 F484 L743 L749Y413-L417 HydrophobicContact CE1-CD2 4.13Å; Y413-L417 VanDerWaalsContact O-CB 3.3Å; Y413-L417 WeakPolarHBondContact O-CB 3.39Å; Y413-L417 PolarHBondContact O-N 3.4Å; V415-L417 VanDerWaalsContact C-N 3.35Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.06Å; L417-E420 PolarHBondContact O-N 3.26Å; L417-I421 HydrophobicContact CD1-CD1 4.05Å; L417-I421 HydrophobicContact CD1-CG1 4.25Å; L417-I421 HydrophobicContact CG-CD1 3.89Å; L417-I421 HydrophobicContact CG-CG1 4.47Å; L417-I421 VanDerWaalsContact O-CG1 3.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.42Å; L417-I421 PolarHBondContact O-N 3.05Å; L417-V465 HydrophobicContact CD2-CG1 4.1Å; L417-V465 HydrophobicContact CG-CG1 4.29Å; L417-F484 HydrophobicContact CD2-CD1 4.2Å; L417-F484 HydrophobicContact CD2-CD2 3.98Å; L417-F484 HydrophobicContact CD2-CE1 4.24Å; L417-F484 HydrophobicContact CD2-CE2 4.07Å; L417-F484 HydrophobicContact CD2-CG 4.07Å; L417-F484 HydrophobicContact CD2-CZ 4.18Å; L417-L743 HydrophobicContact CD1-CD1 3.87Å; L417-L749 HydrophobicContact CD1-CD2 3.72Å
418A95.2Very high92.9Very high5 Ų542.3 Ų42.34%0.04122%0.219CC..Hα-helixtrans-62-38.217700000111.6C414 V415 D416 A422 Y429 L431 V465C414-A418 VanDerWaalsContact O-CB 3.23Å; C414-A418 WeakPolarHBondContact O-CB 3.44Å; C414-A418 PolarHBondContact O-N 3.42Å; V415-A418 PolarHBondContact O-N 2.98Å; D416-A418 PolarHBondContact O-N 3.42Å; A418-A422 WeakPolarHBondContact O-CB 3.49Å; A418-A422 PolarHBondContact O-N 3.01Å; A418-Y429 HydrophobicContact CB-CE2 4.26Å; A418-L431 HydrophobicContact CB-CD2 4.47Å; A418-V465 HydrophobicContact CB-CB 4.42Å; A418-V465 HydrophobicContact CB-CG1 4.2Å; A418-V465 HydrophobicContact CB-CG2 4.47Å
419S95.1Very high93.1Very high55 Ų5539.5 Ų39.539%0.38520%0.201SC..Hα-helixtrans-62.8-45.5175-1680000112.2V415 D416 L417 A422 K423V415-S419 PolarHBondContact O-N 3.01Å; D416-S419 WeakPolarHBondContact O-CB 3.48Å; D416-S419 PolarHBondContact O-N 2.9Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.06Å; S419-A422 PolarHBondContact O-N 3.11Å; S419-K423 WeakPolarHBondContact O-CB 3.32Å; S419-K423 PolarHBondContact O-N 3.46Å
420E94.8Very high93.1Very high50 Ų5041.6 Ų41.623%0.23421%0.212CC..Hα-helixtrans-68.1-42178.7-67.2-63.6165.300112D416 L417 A422 K423 H424 L743 L748D416-E420 WeakPolarHBondContact O-CG 3.42Å; D416-E420 PolarHBondContact O-N 3.13Å; L417-E420 PolarHBondContact O-N 3.26Å; E420-A422 VanDerWaalsContact C-N 3.32Å; E420-A422 PolarHBondContact O-N 3.02Å; E420-K423 PolarHBondContact O-N 3.03Å; E420-H424 PolarHBondContact O-CD2 3.06Å; E420-H424 VanDerWaalsContact O-CD2 3.24Å; E420-H424 PolarHBondContact O-N 3.41Å; E420-L743 HydrophobicContact CB-CD1 4.06Å; E420-L743 HydrophobicContact CB-CD2 4.16Å; E420-L748 HydrophobicContact CB-CD2 4.28Å; E420-L748 HydrophobicContact CG-CD2 3.66Å
421I93.6Very high93.1Very high4 Ų441.4 Ų41.42%0.02121%0.212CC..Hα-helixtrans-59.7-45.9173.2-67.9170000110.1L417 K423 H424 V425 V724 V736 V740 L743L417-I421 HydrophobicContact CD1-CD1 4.05Å; L417-I421 HydrophobicContact CD1-CG1 4.25Å; L417-I421 HydrophobicContact CG-CD1 3.89Å; L417-I421 HydrophobicContact CG-CG1 4.47Å; L417-I421 VanDerWaalsContact O-CG1 3.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.42Å; L417-I421 PolarHBondContact O-N 3.05Å; I421-K423 VanDerWaalsContact C-N 3.33Å; I421-K423 PolarHBondContact O-N 3.29Å; I421-H424 PolarHBondContact O-N 3.38Å; I421-V425 HydrophobicContact CG2-CG2 4.2Å; I421-V425 WeakPolarHBondContact O-CB 3.34Å; I421-V425 VanDerWaalsContact O-CG2 3.29Å; I421-V425 WeakPolarHBondContact O-CG2 3.23Å; I421-V425 PolarHBondContact O-N 3.43Å; I421-V724 HydrophobicContact CD1-CG2 3.93Å; I421-V736 HydrophobicContact CG2-CG1 4.47Å; I421-V736 HydrophobicContact CG2-CG2 4.23Å; I421-V740 HydrophobicContact CD1-CG2 4.26Å; I421-L743 HydrophobicContact CG1-CD1 4.19Å
422A92.3Very high93.1Very high8 Ų840.6 Ų40.67%0.06621%0.213CC..Hα-helixtrans-62.1-39.7179.100000112.6A418 S419 E420 G426 I427 Y429A418-A422 WeakPolarHBondContact O-CB 3.49Å; A418-A422 PolarHBondContact O-N 3.01Å; S419-A422 PolarHBondContact O-N 3.11Å; E420-A422 VanDerWaalsContact C-N 3.32Å; E420-A422 PolarHBondContact O-N 3.02Å; A422-G426 WeakPolarHBondContact O-CA 3.38Å; A422-G426 PolarHBondContact O-N 3.43Å; A422-I427 HydrophobicContact CB-CG1 4.16Å; A422-I427 PolarHBondContact O-N 3.34Å; A422-I427 VanDerWaalsContact O-N 3.15Å; A422-Y429 HydrophobicContact CB-CD1 3.39Å; A422-Y429 HydrophobicContact CB-CE1 3.55Å; A422-Y429 HydrophobicContact CB-CG 4.43Å
423K92.1Very high93Very high161 Ų16142.6 Ų42.670%0.722%0.223SC*.Hα-helixtrans-65.2-39.5176.1-176-178.4176.6-173.20112.5S419 E420 I421S419-K423 WeakPolarHBondContact O-CB 3.32Å; S419-K423 PolarHBondContact O-N 3.46Å; E420-K423 PolarHBondContact O-N 3.03Å; I421-K423 VanDerWaalsContact C-N 3.33Å; I421-K423 PolarHBondContact O-N 3.29Å
424H88.8Confident92.9Very high69 Ų6942.7 Ų42.732%0.31922%0.224SC..Hα-helixtrans-73.3-37.1178.1-86.8-76000113.4E420 I421 A739E420-H424 PolarHBondContact O-CD2 3.06Å; E420-H424 VanDerWaalsContact O-CD2 3.24Å; E420-H424 PolarHBondContact O-N 3.41Å; I421-H424 PolarHBondContact O-N 3.38Å; H424-A739 HydrophobicContact CB-CB 3.98Å
425V88.4Confident92.6Very high40 Ų4047.9 Ų47.924%0.24226%0.257CS..Hα-helixtrans-86.9-20.9-178.2-178.40000111.9I421 I427 A735 A739I421-V425 HydrophobicContact CG2-CG2 4.2Å; I421-V425 WeakPolarHBondContact O-CB 3.34Å; I421-V425 VanDerWaalsContact O-CG2 3.29Å; I421-V425 WeakPolarHBondContact O-CG2 3.23Å; I421-V425 PolarHBondContact O-N 3.43Å; V425-I427 HydrophobicContact CB-CG1 4.2Å; V425-I427 HydrophobicContact CG1-CD1 4.34Å; V425-I427 HydrophobicContact CG1-CG1 4.25Å; V425-I427 HydrophobicContact CG1-CG2 3.89Å; V425-A735 HydrophobicContact CG1-CB 4.08Å; V425-A735 HydrophobicContact CG2-CB 4.28Å; V425-A739 HydrophobicContact CG2-CB 4.16Å
426G87.1Confident92.2Very high45 Ų4550.5 Ų50.546%0.46427%0.271SS..THydrogen-bonded Turntrans80.332.4179.900000114A422A422-G426 WeakPolarHBondContact O-CA 3.38Å; A422-G426 PolarHBondContact O-N 3.43Å
427I86.1Confident91.8Very high20 Ų2051.1 Ų51.110%0.10329%0.285CS..  trans-112.2145.6-173.754.7168.7000113.1V379 I384 A422 V425V379-I427 HydrophobicContact CG1-CG2 4.2Å; I384-I427 HydrophobicContact CB-CD1 4.37Å; I384-I427 HydrophobicContact CG1-CB 4.19Å; I384-I427 HydrophobicContact CG1-CD1 3.99Å; I384-I427 HydrophobicContact CG1-CG2 4.46Å; I384-I427 HydrophobicContact CG2-CD1 4.46Å; A422-I427 HydrophobicContact CB-CG1 4.16Å; A422-I427 PolarHBondContact O-N 3.34Å; A422-I427 VanDerWaalsContact O-N 3.15Å; V425-I427 HydrophobicContact CB-CG1 4.2Å; V425-I427 HydrophobicContact CG1-CD1 4.34Å; V425-I427 HydrophobicContact CG1-CG1 4.25Å; V425-I427 HydrophobicContact CG1-CG2 3.89Å
428K90.1Very high91.5Very high119 Ų11955 Ų5552%0.51730%0.303SS..  trans-82.7138.7165.7-67.5177.8-176.3167.50109.4T383 I384T383-K428 WeakPolarHBondContact CA-O 3.46Å; I384-K428 PolarHBondContact N-O 3.13Å
429Y92.8Very high91.2Very high45 Ų4556 Ų5618%0.17631%0.305CS..EExtended strand (participates in β ladder)trans-136.1156.2-178.472.4-83000113.1I384 V386 N407 A418 A422 L431I384-Y429 CarbonylContact O-C 3.57Å; I384-Y429 WeakPolarHBondContact O-CA 3.18Å; V386-Y429 HydrophobicContact CG2-CD2 3.97Å; V386-Y429 HydrophobicContact CG2-CG 4.22Å; N407-Y429 PolarHBondContact ND2-O 3.04Å; A418-Y429 HydrophobicContact CB-CE2 4.26Å; A422-Y429 HydrophobicContact CB-CD1 3.39Å; A422-Y429 HydrophobicContact CB-CE1 3.55Å; A422-Y429 HydrophobicContact CB-CG 4.43Å; Y429-L431 HydrophobicContact CD2-CD2 4.28Å; Y429-L431 HydrophobicContact CD2-CG 4.27Å; Y429-L431 HydrophobicContact CE2-CD1 4.46Å; Y429-L431 HydrophobicContact CE2-CD2 4.09Å; Y429-L431 HydrophobicContact CE2-CG 3.96Å
430K93.8Very high90.9Very high124 Ų12453.5 Ų53.554%0.53929%0.288SS..EExtended strand (participates in β ladder)trans-127125.3171.5-180177.6178.2-179.80109.1T383 I384 V386 N407T383-K430 HydrophobicContact CG2-CB 3.79Å; I384-K430 PolarHBondContact O-N 2.9Å; V386-K430 PolarHBondContact N-O 2.54Å; N407-K430 WeakPolarHBondContact OD1-CA 3.34Å
431L94.2Very high90.5Very high9 Ų953 Ų535%0.04729%0.292CS..EExtended strand (participates in β ladder)trans-73.1130.5172.8-65.2172.6000109.8V386 N407 Y410 V415 A418 Y429V386-L431 HydrophobicContact CB-CD2 4.06Å; V386-L431 HydrophobicContact CG1-CD2 3.88Å; N407-L431 HydrophobicContact CB-CD1 4.32Å; N407-L431 PolarHBondContact OD1-N 3.37Å; Y410-L431 HydrophobicContact CD2-CB 4.07Å; Y410-L431 HydrophobicContact CD2-CD1 3.85Å; Y410-L431 HydrophobicContact CE2-CB 4.19Å; Y410-L431 HydrophobicContact CG-CD1 4.34Å; V415-L431 HydrophobicContact CG1-CD1 4.2Å; V415-L431 HydrophobicContact CG2-CD1 4.27Å; A418-L431 HydrophobicContact CB-CD2 4.47Å; Y429-L431 HydrophobicContact CD2-CD2 4.28Å; Y429-L431 HydrophobicContact CD2-CG 4.27Å; Y429-L431 HydrophobicContact CE2-CD1 4.46Å; Y429-L431 HydrophobicContact CE2-CD2 4.09Å; Y429-L431 HydrophobicContact CE2-CG 3.96Å
432S94.3Very high90.2Very high42 Ų4258.6 Ų58.629%0.29431%0.313SS..EExtended strand (participates in β ladder)trans-125.9129.7175.8-170.90000109.2V386 T387 T388V386-S432 PolarHBondContact O-N 2.93Å; T387-S432 CarbonylContact C-O 3.49Å; T387-S432 WeakPolarHBondContact CA-O 3.36Å; T388-S432 PolarHBondContact N-O 3.17Å
433I94.4Very high89.8Confident41 Ų4161 Ų6121%0.2133%0.325CS..EExtended strand (participates in β ladder)trans-85.6134.2175.6-56.5-54.8000108.8T388 M390 V395 Y410 P435T388-I433 HydrophobicContact CG2-CD1 3.68Å; T388-I433 WeakPolarHBondContact O-CA 3.39Å; M390-I433 HydrophobicContact CG-CD1 4.12Å; M390-I433 HydrophobicContact CG-CG1 4.36Å; M390-I433 HydrophobicContact CG-CG2 3.93Å; M390-I433 HydrophobicContact SD-CD1 3.59Å; M390-I433 VanDerWaalsContact SD-CD1 3.59Å; M390-I433 HydrophobicContact SD-CG1 4.09Å; V395-I433 HydrophobicContact CG1-CD1 4.45Å; Y410-I433 HydrophobicContact CD1-CD1 4.42Å; Y410-I433 HydrophobicContact CE1-CD1 3.84Å; Y410-I433 HydrophobicContact CE1-CG1 3.91Å; I433-P435 WeakPolarHBondContact O-CD 3.4Å
434V94.2Very high89.1Confident4 Ų458.1 Ų58.12%0.02432%0.323CS..  trans-60.3125.3175.767.70000110.5T388 I389 D436 G437 M452T388-V434 PolarHBondContact O-N 3.42Å; I389-V434 HydrophobicContact CB-CG1 4.12Å; I389-V434 HydrophobicContact CD1-CG1 4.47Å; I389-V434 HydrophobicContact CG1-CG1 4.13Å; V434-D436 VanDerWaalsContact CG2-OD1 3.25Å; V434-D436 WeakPolarHBondContact CG2-OD1 3.48Å; V434-D436 PolarHBondContact O-N 3.22Å; V434-G437 PolarHBondContact O-N 2.9Å; V434-M452 HydrophobicContact CB-CG 3.86Å; V434-M452 HydrophobicContact CG1-CG 4.08Å; V434-M452 HydrophobicContact CG2-CG 4.04Å
435P89.7Confident88.8Confident112 Ų11261.8 Ų61.873%0.72735%0.345SS*.THydrogen-bonded Turntrans-65-32.9-172.8-2634.3000115.2I433 E455I433-P435 WeakPolarHBondContact O-CD 3.4Å; P435-E455 WeakPolarHBondContact CD-OE1 3.38Å
436D87.8Confident88.3Confident71 Ų7163.7 Ų63.738%0.3836%0.357SS..THydrogen-bonded Turntrans-89-4.6-176.268.40.6000113.6V434 K438 G451V434-D436 VanDerWaalsContact CG2-OD1 3.25Å; V434-D436 WeakPolarHBondContact CG2-OD1 3.48Å; V434-D436 PolarHBondContact O-N 3.22Å; D436-K438 PolarHBondContact O-N 2.87Å; D436-K438 PolarHBondContact OD1-N 3.38Å; D436-G451 WeakPolarHBondContact OD1-CA 3.15Å; D436-G451 WeakPolarHBondContact OD2-CA 3.18Å; D436-G451 PolarHBondContact OD2-N 2.72Å
437G88.3Confident87.9Confident49 Ų4968 Ų6851%0.50536%0.363SS..  trans63.723.5-178.900000114.5I389 V434I389-G437 WeakPolarHBondContact CD1-O 3.46Å; V434-G437 PolarHBondContact O-N 2.9Å
438K89.6Confident87.8Confident83 Ų8369 Ų6936%0.36137%0.369SS..  trans-116.2149.9-178-66.2177.2-176.5-179.20112D436 G451 M452D436-K438 PolarHBondContact O-N 2.87Å; D436-K438 PolarHBondContact OD1-N 3.38Å; K438-G451 WeakPolarHBondContact O-CA 3.42Å; K438-M452 PolarHBondContact O-N 3.2Å
439Y88.8Confident87.8Confident25 Ų2564.3 Ų64.310%0.09835%0.349CS..  trans-67-41.3174.2-62.1-83.3000112.7I389 E391 M452 V453 P467 L468 L640I389-Y439 HydrophobicContact CD1-CE1 4.43Å; I389-Y439 HydrophobicContact CG2-CE1 4.06Å; E391-Y439 PolarHBondContact OE1-OH 2.92Å; E391-Y439 PolarHBondContact OE2-OH 3.29Å; Y439-M452 HydrophobicContact CD1-CE 3.54Å; Y439-M452 HydrophobicContact CE1-CE 4.32Å; Y439-M452 HydrophobicContact CG-CE 4.27Å; Y439-M452 WeakPolarHBondContact O-CB 3.41Å; Y439-M452 PolarHBondContact O-N 2.9Å; Y439-M452 VanDerWaalsContact O-N 3.11Å; Y439-V453 PolarHBondContact O-N 3.49Å; Y439-P467 HydrophobicContact CE1-CG 4.26Å; Y439-P467 WeakPolarHBondContact CE1-O 3.43Å; Y439-L468 HydrophobicContact CD1-CD1 4.46Å; Y439-L640 HydrophobicContact CE2-CD2 4.08Å
440G88.2Confident87.6Confident2 Ų264.8 Ų64.82%0.02135%0.354CS..  trans126118.7-178.300000112N450 R474G440-N450 WeakPolarHBondContact CA-O 3.4Å; G440-N450 WeakPolarHBondContact CA-OD1 3.45Å; G440-R474 PolarHBondContact O-NE 2.95Å; G440-R474 PolarHBondContact O-NH2 3.39Å
441A86.9Confident87.5Confident39 Ų3959 Ų5932%0.32233%0.33SS..  trans-132.9150.5174.700000108.9N450A441-N450 PolarHBondContact N-OD1 2.9Å; A441-N450 PolarHBondContact O-N 3.36Å; A441-N450 PolarHBondContact O-OD1 3.07Å; A441-N450 VanDerWaalsContact O-OD1 3.12Å
442R85.7Confident87.5Confident123 Ų12358.6 Ų58.646%0.46433%0.328SS..BIsolated β-bridgetrans-85125.2176.3-167.7179.5-174178.52.6109.3K447 T448 W449R442-K447 PolarHBondContact NE-O 3.42Å; R442-T448 WeakPolarHBondContact CA-O 3.45Å; R442-W449 HydrophobicContact CB-CD2 4.01Å; R442-W449 HydrophobicContact CB-CE3 4.13Å; R442-W449 HydrophobicContact CB-CH2 4.02Å; R442-W449 HydrophobicContact CB-CZ2 3.87Å; R442-W449 HydrophobicContact CB-CZ3 4.13Å; R442-W449 HydrophobicContact CG-CD2 4.43Å; R442-W449 HydrophobicContact CG-CZ2 4.34Å
443D83.8Confident87.4Confident58 Ų5856.6 Ų56.631%0.3131%0.314SS..  trans-66.7126.2171-178.7-8.7000109.5D445 T446 K447 T448D443-D445 VanDerWaalsContact C-N 3.29Å; D443-D445 PolarHBondContact O-N 3.02Å; D443-D445 PolarHBondContact OD1-N 3.24Å; D443-D445 VanDerWaalsContact OD1-N 3.1Å; D443-T446 VanDerWaalsContact CB-OG1 3.3Å; D443-T446 WeakPolarHBondContact CB-OG1 3.41Å; D443-T446 WeakPolarHBondContact OD2-CG2 3.16Å; D443-T446 PolarHBondContact OD2-OG1 3.03Å; D443-K447 WeakPolarHBondContact O-CA 3.28Å; D443-K447 PolarHBondContact O-N 2.74Å; D443-T448 PolarHBondContact N-O 2.91Å
444P78.6Confident87.2Confident100 Ų10054.8 Ų54.865%0.64931%0.305SS*.THydrogen-bonded Turntrans-61.6-33.3-179.323.5-34000113.7
445D81.6Confident87.1Confident146 Ų14655.2 Ų55.278%0.78131%0.307SS*.THydrogen-bonded Turntrans-87.6-54.1-172.8-61.8-34.5000110.9D443 K447D443-D445 VanDerWaalsContact C-N 3.29Å; D443-D445 PolarHBondContact O-N 3.02Å; D443-D445 PolarHBondContact OD1-N 3.24Å; D443-D445 VanDerWaalsContact OD1-N 3.1Å; D445-K447 VanDerWaalsContact C-N 3.32Å; D445-K447 PolarHBondContact O-N 2.83Å
446T78Confident87.2Confident81 Ų8150 Ų5050%0.49727%0.273SS..THydrogen-bonded Turntrans-81.6-13.4-177.166.60000113D443 T448D443-T446 VanDerWaalsContact CB-OG1 3.3Å; D443-T446 WeakPolarHBondContact CB-OG1 3.41Å; D443-T446 WeakPolarHBondContact OD2-CG2 3.16Å; D443-T446 PolarHBondContact OD2-OG1 3.03Å; T446-T448 PolarHBondContact O-N 3.08Å; T446-T448 PolarHBondContact OG1-N 3Å; T446-T448 PolarHBondContact OG1-OG1 3.4Å
447K80.1Confident87.3Confident136 Ų13649.2 Ų49.259%0.59127%0.27SS*.  trans56.313.9-171.9-67.5-179.8179.3178.50114.1R442 D443 D445R442-K447 PolarHBondContact NE-O 3.42Å; D443-K447 WeakPolarHBondContact O-CA 3.28Å; D443-K447 PolarHBondContact O-N 2.74Å; D445-K447 VanDerWaalsContact C-N 3.32Å; D445-K447 PolarHBondContact O-N 2.83Å
448T84Confident87.1Confident39 Ų3948.7 Ų48.724%0.23925%0.253CS..  trans-82.9149.8179.363.50000111.1R442 D443 T446 Y458R442-T448 WeakPolarHBondContact CA-O 3.45Å; D443-T448 PolarHBondContact N-O 2.91Å; T446-T448 PolarHBondContact O-N 3.08Å; T446-T448 PolarHBondContact OG1-N 3Å; T446-T448 PolarHBondContact OG1-OG1 3.4Å; T448-Y458 WeakPolarHBondContact CB-OH 3.33Å
449W88.4Confident86.8Confident22 Ų2246 Ų468%0.08325%0.249CC..BIsolated β-bridgetrans-96.5133.4174.1-72.592.8000111.1R442 V453 Y458 V473 R474 V477R442-W449 HydrophobicContact CB-CD2 4.01Å; R442-W449 HydrophobicContact CB-CE3 4.13Å; R442-W449 HydrophobicContact CB-CH2 4.02Å; R442-W449 HydrophobicContact CB-CZ2 3.87Å; R442-W449 HydrophobicContact CB-CZ3 4.13Å; R442-W449 HydrophobicContact CG-CD2 4.43Å; R442-W449 HydrophobicContact CG-CZ2 4.34Å; W449-V453 HydrophobicContact CB-CG1 4.44Å; W449-V453 HydrophobicContact CD2-CG1 3.84Å; W449-V453 HydrophobicContact CE3-CB 4.04Å; W449-V453 HydrophobicContact CE3-CG1 3.57Å; W449-V453 HydrophobicContact CG-CG1 4.24Å; W449-V453 HydrophobicContact CZ3-CG1 4.06Å; W449-Y458 PolarHBondContact N-OH 2.95Å; W449-Y458 VanDerWaalsContact N-OH 3.1Å; W449-Y458 VanDerWaalsContact O-CE2 3.31Å; W449-Y458 WeakPolarHBondContact O-CE2 3.32Å; W449-V473 HydrophobicContact CH2-CB 4.21Å; W449-V473 HydrophobicContact CH2-CG2 4.13Å; W449-V473 WeakPolarHBondContact CH2-O 3.39Å; W449-V473 VanDerWaalsContact CZ2-O 3.29Å; W449-V473 WeakPolarHBondContact CZ2-O 3.41Å; W449-R474 HydrophobicContact CH2-CG 4.21Å; W449-R474 HydrophobicContact CZ3-CG 4.2Å; W449-V477 HydrophobicContact CD2-CG2 4.41Å; W449-V477 HydrophobicContact CZ2-CG1 4.34Å; W449-V477 HydrophobicContact CZ2-CG2 3.92Å
450N89.4Confident86.7Confident54 Ų5450.3 Ų50.329%0.28927%0.265SS..  trans-101.5-172.816964.820.7000111.3G440 A441 G454G440-N450 WeakPolarHBondContact CA-O 3.4Å; G440-N450 WeakPolarHBondContact CA-OD1 3.45Å; A441-N450 PolarHBondContact N-OD1 2.9Å; A441-N450 PolarHBondContact O-N 3.36Å; A441-N450 PolarHBondContact O-OD1 3.07Å; A441-N450 VanDerWaalsContact O-OD1 3.12Å; N450-G454 PolarHBondContact O-N 3.46Å
451G91.2Very high86.8Confident4 Ų450.2 Ų50.24%0.04127%0.265CS..Hα-helixtrans61.9-160.3175.300000114.9D436 K438 V453 G454 E455D436-G451 WeakPolarHBondContact OD1-CA 3.15Å; D436-G451 WeakPolarHBondContact OD2-CA 3.18Å; D436-G451 PolarHBondContact OD2-N 2.72Å; K438-G451 WeakPolarHBondContact O-CA 3.42Å; G451-V453 VanDerWaalsContact C-N 3.26Å; G451-V453 PolarHBondContact O-N 3.14Å; G451-G454 PolarHBondContact O-N 3.46Å; G451-G454 VanDerWaalsContact O-N 3.12Å; G451-E455 PolarHBondContact O-N 2.97Å; G451-E455 VanDerWaalsContact O-N 3.15Å
452M93.9Very high87Confident0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-59.9-35.1178.9-63.2-176.5-74.500112.6T387 I389 V434 K438 Y439 G454 E455 L456 A466 L468T387-M452 HydrophobicContact CG2-CB 4.23Å; T387-M452 HydrophobicContact CG2-CG 4.4Å; I389-M452 HydrophobicContact CB-CE 4.08Å; I389-M452 HydrophobicContact CB-SD 4.11Å; I389-M452 HydrophobicContact CG2-CE 3.82Å; I389-M452 HydrophobicContact CG2-SD 4.25Å; V434-M452 HydrophobicContact CB-CG 3.86Å; V434-M452 HydrophobicContact CG1-CG 4.08Å; V434-M452 HydrophobicContact CG2-CG 4.04Å; K438-M452 PolarHBondContact O-N 3.2Å; Y439-M452 HydrophobicContact CD1-CE 3.54Å; Y439-M452 HydrophobicContact CE1-CE 4.32Å; Y439-M452 HydrophobicContact CG-CE 4.27Å; Y439-M452 WeakPolarHBondContact O-CB 3.41Å; Y439-M452 PolarHBondContact O-N 2.9Å; Y439-M452 VanDerWaalsContact O-N 3.11Å; M452-G454 PolarHBondContact O-N 3.18Å; M452-E455 PolarHBondContact O-N 3.26Å; M452-L456 PolarHBondContact O-N 3.1Å; M452-A466 HydrophobicContact CE-CB 3.72Å; M452-A466 HydrophobicContact SD-CB 3.52Å; M452-A466 VanDerWaalsContact SD-CB 3.52Å; M452-L468 HydrophobicContact CE-CD1 4.33Å
453V93.3Very high87.4Confident0 Ų044 Ų440%024%0.235CC..Hα-helixtrans-61-45.8175.3179.80000110.6Y439 W449 G451 E455 L456 V457 L468 R474 V477 I478Y439-V453 PolarHBondContact O-N 3.49Å; W449-V453 HydrophobicContact CB-CG1 4.44Å; W449-V453 HydrophobicContact CD2-CG1 3.84Å; W449-V453 HydrophobicContact CE3-CB 4.04Å; W449-V453 HydrophobicContact CE3-CG1 3.57Å; W449-V453 HydrophobicContact CG-CG1 4.24Å; W449-V453 HydrophobicContact CZ3-CG1 4.06Å; G451-V453 VanDerWaalsContact C-N 3.26Å; G451-V453 PolarHBondContact O-N 3.14Å; V453-E455 VanDerWaalsContact C-N 3.31Å; V453-E455 PolarHBondContact O-N 3.38Å; V453-L456 PolarHBondContact O-N 3.14Å; V453-V457 HydrophobicContact CG1-CG2 4.2Å; V453-V457 VanDerWaalsContact O-CG2 3.28Å; V453-V457 WeakPolarHBondContact O-CG2 3.46Å; V453-V457 PolarHBondContact O-N 3.5Å; V453-L468 HydrophobicContact CG2-CD1 4.41Å; V453-R474 HydrophobicContact CG2-CG 4.08Å; V453-V477 HydrophobicContact CG1-CG2 3.9Å; V453-I478 HydrophobicContact CB-CD1 4.47Å; V453-I478 HydrophobicContact CG1-CD1 4.07Å; V453-I478 HydrophobicContact CG1-CG1 4.41Å; V453-I478 HydrophobicContact CG2-CD1 4.04Å
454G90.5Very high88Confident2 Ų241.2 Ų41.22%0.02122%0.22CC..Hα-helixtrans-61.4-37.517600000112.9N450 G451 M452 L456 V457 Y458N450-G454 PolarHBondContact O-N 3.46Å; G451-G454 PolarHBondContact O-N 3.46Å; G451-G454 VanDerWaalsContact O-N 3.12Å; M452-G454 PolarHBondContact O-N 3.18Å; G454-L456 VanDerWaalsContact C-N 3.32Å; G454-L456 PolarHBondContact O-N 3.01Å; G454-V457 PolarHBondContact O-N 2.81Å; G454-Y458 WeakPolarHBondContact O-CB 3.37Å; G454-Y458 WeakPolarHBondContact O-CD2 3.07Å; G454-Y458 PolarHBondContact O-N 2.92Å
455E91.4Very high88.9Confident13 Ų1336.7 Ų36.76%0.06119%0.19CC..Hα-helixtrans-62.5-37.1177-65.5-160153.500113.3T387 P435 G451 M452 V453 G459 R460 A461T387-E455 WeakPolarHBondContact CB-OE2 3.29Å; T387-E455 PolarHBondContact OG1-OE2 3.18Å; P435-E455 WeakPolarHBondContact CD-OE1 3.38Å; G451-E455 PolarHBondContact O-N 2.97Å; G451-E455 VanDerWaalsContact O-N 3.15Å; M452-E455 PolarHBondContact O-N 3.26Å; V453-E455 VanDerWaalsContact C-N 3.31Å; V453-E455 PolarHBondContact O-N 3.38Å; E455-G459 PolarHBondContact O-N 3.03Å; E455-R460 HydrophobicContact CB-CB 4.18Å; E455-R460 HydrophobicContact CG-CB 4.43Å; E455-R460 PolarHBondContact O-N 2.82Å; E455-A461 HydrophobicContact CB-CB 4.04Å; E455-A461 PolarHBondContact O-N 2.91Å; E455-A461 VanDerWaalsContact O-N 3.1Å
456L91.9Very high89.6Confident2 Ų229.7 Ų29.71%0.0115%0.153CC..Hα-helixtrans-74.5-45.7175.4-63.1-178.3000112.1T387 M452 V453 G454 Y458 G459 A461 A464 I478 A725 P727T387-L456 HydrophobicContact CG2-CD2 4.35Å; M452-L456 PolarHBondContact O-N 3.1Å; V453-L456 PolarHBondContact O-N 3.14Å; G454-L456 VanDerWaalsContact C-N 3.32Å; G454-L456 PolarHBondContact O-N 3.01Å; L456-Y458 VanDerWaalsContact C-N 3.29Å; L456-Y458 PolarHBondContact O-N 3.11Å; L456-G459 PolarHBondContact O-N 2.87Å; L456-G459 VanDerWaalsContact O-N 3.17Å; L456-A461 HydrophobicContact CD2-CB 4.06Å; L456-A464 HydrophobicContact CD1-CB 3.78Å; L456-A464 HydrophobicContact CD2-CB 4.33Å; L456-A464 HydrophobicContact CG-CB 4.28Å; L456-I478 HydrophobicContact CB-CG2 3.8Å; L456-I478 HydrophobicContact CD1-CD1 4.28Å; L456-I478 HydrophobicContact CD1-CG2 4.25Å; L456-A725 HydrophobicContact CD1-CB 3.57Å; L456-P727 HydrophobicContact CB-CG 4.38Å; L456-P727 HydrophobicContact CD2-CG 4.27Å
457V89.3Confident90.3Very high55 Ų5525.9 Ų25.933%0.33313%0.13SC..Hα-helixtrans-59.8-42.2-179.6171.30000110.9V453 G454 V477 I478V453-V457 HydrophobicContact CG1-CG2 4.2Å; V453-V457 VanDerWaalsContact O-CG2 3.28Å; V453-V457 WeakPolarHBondContact O-CG2 3.46Å; V453-V457 PolarHBondContact O-N 3.5Å; G454-V457 PolarHBondContact O-N 2.81Å; V457-V477 HydrophobicContact CG2-CB 3.91Å; V457-V477 HydrophobicContact CG2-CG2 3.92Å; V457-I478 HydrophobicContact CG2-CG2 3.79Å
458Y85.5Confident91Very high38 Ų3819.4 Ų19.415%0.14910%0.101CC..THydrogen-bonded Turntrans-92.79.1-178.9-50.6-52.3000113.5Q172 K174 T448 W449 G454 L456 R460Q172-Y458 HydrophobicContact CB-CD1 4.07Å; Q172-Y458 HydrophobicContact CB-CE1 3.65Å; Q172-Y458 HydrophobicContact CB-CE2 4.23Å; Q172-Y458 HydrophobicContact CG-CD2 4.5Å; Q172-Y458 HydrophobicContact CG-CE1 4.27Å; Q172-Y458 HydrophobicContact CG-CE2 3.96Å; K174-Y458 WeakPolarHBondContact CD-O 3.18Å; K174-Y458 PolarHBondContact NZ-O 2.84Å; T448-Y458 WeakPolarHBondContact CB-OH 3.33Å; W449-Y458 PolarHBondContact N-OH 2.95Å; W449-Y458 VanDerWaalsContact N-OH 3.1Å; W449-Y458 VanDerWaalsContact O-CE2 3.31Å; W449-Y458 WeakPolarHBondContact O-CE2 3.32Å; G454-Y458 WeakPolarHBondContact O-CB 3.37Å; G454-Y458 WeakPolarHBondContact O-CD2 3.07Å; G454-Y458 PolarHBondContact O-N 2.92Å; L456-Y458 VanDerWaalsContact C-N 3.29Å; L456-Y458 PolarHBondContact O-N 3.11Å; Y458-R460 VanDerWaalsContact C-N 3.32Å; Y458-R460 PolarHBondContact O-N 3.25Å
459G83.4Confident91.5Very high26 Ų2617.8 Ų17.827%0.2689%0.091SC..THydrogen-bonded Turntrans64.127.7175.500000115.6E455 L456E455-G459 PolarHBondContact O-N 3.03Å; L456-G459 PolarHBondContact O-N 2.87Å; L456-G459 VanDerWaalsContact O-N 3.17Å
460R85.4Confident91.8Very high116 Ų11618.9 Ų18.944%0.43810%0.099SC..SBendtrans-78.2-31170.5-59.1-174.2-166.71565.6111.5E455 Y458E455-R460 HydrophobicContact CB-CB 4.18Å; E455-R460 HydrophobicContact CG-CB 4.43Å; E455-R460 PolarHBondContact O-N 2.82Å; Y458-R460 VanDerWaalsContact C-N 3.32Å; Y458-R460 PolarHBondContact O-N 3.25Å
461A90.4Very high91.9Very high1 Ų117.9 Ų17.91%0.0089%0.094CC..  trans-125154.8174.900000110.9V385 T387 E455 L456V385-A461 HydrophobicContact CG1-CB 4.33Å; T387-A461 HydrophobicContact CG2-CB 3.64Å; E455-A461 HydrophobicContact CB-CB 4.04Å; E455-A461 PolarHBondContact O-N 2.91Å; E455-A461 VanDerWaalsContact O-N 3.1Å; L456-A461 HydrophobicContact CD2-CB 4.06Å
462D91Very high91.9Very high27 Ų2723.8 Ų23.814%0.14412%0.124CC..SBendtrans-97.6-27.3-176.3-61.6-45.3000112.8R200 I384 V385 P727R200-D462 IonicContact CZ-OD1 3.74Å; R200-D462 IonicContact CZ-OD2 2.75Å; R200-D462 IonicContact NH1-OD2 3.84Å; R200-D462 IonicContact NH2-OD1 2.7Å; R200-D462 PolarHBondContact NH2-OD1 2.86Å; R200-D462 IonicContact NH2-OD2 3.78Å; R200-D462 PolarHBondContact NH2-OD2 3.2Å; I384-D462 WeakPolarHBondContact CA-OD2 3.17Å; I384-D462 HydrophobicContact CG2-CB 3.7Å; V385-D462 PolarHBondContact N-OD2 2.76Å; V385-D462 PolarHBondContact O-N 2.88Å; D462-P727 WeakPolarHBondContact O-CD 3.17Å
463I94.6Very high91.7Very high4 Ų425.5 Ų25.52%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-154.4147.5-179.5-168.8172.7000108.7I384 V385 V386 T387 V465 V724 A725 T726 V736I384-I463 HydrophobicContact CG2-CG2 3.78Å; V385-I463 PolarHBondContact O-N 2.67Å; V386-I463 CarbonylContact C-O 3.49Å; V386-I463 WeakPolarHBondContact CA-O 3.35Å; V386-I463 HydrophobicContact CB-CG2 4.03Å; V386-I463 HydrophobicContact CG1-CG2 4.2Å; V386-I463 HydrophobicContact CG2-CG2 3.52Å; T387-I463 PolarHBondContact N-O 2.93Å; I463-V465 HydrophobicContact CD1-CG2 4.31Å; I463-V465 HydrophobicContact CG1-CG2 4.34Å; I463-V724 HydrophobicContact CD1-CG1 3.61Å; I463-V724 HydrophobicContact CG1-CG1 3.64Å; I463-A725 WeakPolarHBondContact CA-O 3.46Å; I463-A725 WeakPolarHBondContact CG1-O 3.39Å; I463-T726 HydrophobicContact CD1-CG2 4.38Å; I463-T726 HydrophobicContact CG1-CG2 4.02Å; I463-V736 HydrophobicContact CD1-CG1 4.23Å; I463-V736 HydrophobicContact CD1-CG2 3.7Å
464A96.8Very high91.7Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-115.5115.1171.500000110T387 L456 A725T387-A464 HydrophobicContact CG2-CB 3.5Å; T387-A464 WeakPolarHBondContact O-CA 3.47Å; L456-A464 HydrophobicContact CD1-CB 3.78Å; L456-A464 HydrophobicContact CD2-CB 4.33Å; L456-A464 HydrophobicContact CG-CB 4.28Å; A464-A725 HydrophobicContact CB-CB 4.23Å; A464-A725 PolarHBondContact N-O 3.47Å; A464-A725 PolarHBondContact O-N 3Å; A464-A725 VanDerWaalsContact O-N 3.11Å
465V96.7Very high91.7Very high4 Ų431 Ų312%0.02416%0.16CC..  trans-110.694.9173.1-175.90000107.2V386 T387 T388 C414 L417 A418 I463 V724V386-V465 HydrophobicContact CG1-CB 3.84Å; V386-V465 HydrophobicContact CG1-CG2 3.82Å; T387-V465 PolarHBondContact O-N 2.75Å; T388-V465 WeakPolarHBondContact CB-O 3.26Å; T388-V465 PolarHBondContact OG1-O 3.46Å; C414-V465 HydrophobicContact CB-CG1 4.26Å; L417-V465 HydrophobicContact CD2-CG1 4.1Å; L417-V465 HydrophobicContact CG-CG1 4.29Å; A418-V465 HydrophobicContact CB-CB 4.42Å; A418-V465 HydrophobicContact CB-CG1 4.2Å; A418-V465 HydrophobicContact CB-CG2 4.47Å; I463-V465 HydrophobicContact CD1-CG2 4.31Å; I463-V465 HydrophobicContact CG1-CG2 4.34Å; V465-V724 HydrophobicContact CG2-CG1 3.96Å
466A95.6Very high91.7Very high0 Ų035.2 Ų35.20%018%0.179CC..SBendtrans-155.4167-171.900000109.9M452 L468M452-A466 HydrophobicContact CE-CB 3.72Å; M452-A466 HydrophobicContact SD-CB 3.52Å; M452-A466 VanDerWaalsContact SD-CB 3.52Å; A466-L468 PolarHBondContact O-N 3.37Å
467P94.3Very high91.7Very high0 Ų037 Ų370%019%0.19CC..SBendtrans-69.765.9167.829.2-34.2000110.9I389 E391 Y394 Y439 Y722I389-P467 HydrophobicContact CG2-CG 4.43Å; E391-P467 WeakPolarHBondContact OE2-CG 3.24Å; Y394-P467 HydrophobicContact CD1-CB 3.99Å; Y394-P467 HydrophobicContact CD1-CG 4.18Å; Y394-P467 HydrophobicContact CD2-CB 4.03Å; Y394-P467 HydrophobicContact CD2-CG 3.73Å; Y394-P467 HydrophobicContact CE1-CB 3.93Å; Y394-P467 HydrophobicContact CE2-CB 3.97Å; Y394-P467 HydrophobicContact CE2-CG 4.13Å; Y394-P467 HydrophobicContact CG-CB 4.04Å; Y394-P467 HydrophobicContact CG-CG 3.75Å; Y439-P467 HydrophobicContact CE1-CG 4.26Å; Y439-P467 WeakPolarHBondContact CE1-O 3.43Å; P467-Y722 VanDerWaalsContact C-CD1 3.45Å; P467-Y722 HydrophobicContact CB-CD1 4.3Å; P467-Y722 HydrophobicContact CB-CD2 4.09Å; P467-Y722 HydrophobicContact CB-CE1 3.89Å; P467-Y722 HydrophobicContact CB-CE2 3.65Å; P467-Y722 HydrophobicContact CB-CG 4.4Å; P467-Y722 WeakPolarHBondContact O-CE1 3.44Å
468L94.5Very high91.9Very high0 Ų034.4 Ų34.40%017%0.174CC..  trans-99.2108.4-178.2-17266.3000109.9Y439 M452 V453 A466 I470 R474 I478 F480 G723 A725Y439-L468 HydrophobicContact CD1-CD1 4.46Å; M452-L468 HydrophobicContact CE-CD1 4.33Å; V453-L468 HydrophobicContact CG2-CD1 4.41Å; A466-L468 PolarHBondContact O-N 3.37Å; L468-I470 PolarHBondContact O-N 2.82Å; L468-R474 VanDerWaalsContact CD1-NH1 3.34Å; L468-I478 HydrophobicContact CD2-CD1 4.29Å; L468-F480 HydrophobicContact CD2-CE1 3.78Å; L468-F480 HydrophobicContact CD2-CZ 3.99Å; L468-F480 HydrophobicContact CG-CE1 4.06Å; L468-F480 HydrophobicContact CG-CZ 4.31Å; L468-G723 PolarHBondContact O-N 3.28Å; L468-A725 HydrophobicContact CD2-CB 3.8Å
469T94.2Very high92.4Very high5 Ų533.4 Ų33.43%0.03117%0.171CC..BIsolated β-bridgetrans-61.9129.4176.9-25.90000110.8T471 R474 S644 E695 K720T469-T471 PolarHBondContact O-N 3.5Å; T469-R474 PolarHBondContact O-NH1 2.94Å; T469-S644 PolarHBondContact OG1-OG 2.95Å; T469-E695 PolarHBondContact OG1-OE1 3.27Å; T469-K720 HydrophobicContact CG2-CB 4.06Å; T469-K720 HydrophobicContact CG2-CD 3.79Å; T469-K720 HydrophobicContact CG2-CG 4.08Å
470I94.8Very high92.9Very high45 Ų4533 Ų3323%0.23116%0.162CC..  trans-69.7125.9171.2-55172.1000108.4L468 F480 P483 G721L468-I470 PolarHBondContact O-N 2.82Å; I470-F480 HydrophobicContact CD1-CB 4.34Å; I470-F480 HydrophobicContact CG1-CB 4.28Å; I470-F480 HydrophobicContact CG1-CD1 3.75Å; I470-F480 HydrophobicContact CG1-CE1 4.14Å; I470-F480 HydrophobicContact CG1-CG 3.95Å; I470-F480 HydrophobicContact CG2-CD2 4.12Å; I470-F480 HydrophobicContact CG2-CG 4.24Å; I470-P483 HydrophobicContact CD1-CB 4.11Å; I470-G721 WeakPolarHBondContact CG1-O 3.16Å; I470-G721 PolarHBondContact N-O 2.93Å; I470-G721 VanDerWaalsContact N-O 3.09Å
471T92.1Very high93.4Very high33 Ų3327.9 Ų27.920%0.20214%0.144CC..  trans-142.5151.3179.165.40000109.8T469 V473 R474 E475T469-T471 PolarHBondContact O-N 3.5Å; T471-V473 VanDerWaalsContact C-N 3.32Å; T471-V473 PolarHBondContact O-N 3.35Å; T471-R474 PolarHBondContact O-N 3.47Å; T471-R474 WeakPolarHBondContact OG1-CD 3.3Å; T471-R474 VanDerWaalsContact OG1-CG 3.3Å; T471-R474 WeakPolarHBondContact OG1-CG 3.41Å; T471-E475 PolarHBondContact O-N 3.27Å
472L89.8Confident93.6Very high128 Ų12833.6 Ų33.667%0.6717%0.169SC*.Hα-helixtrans-52.1-47.4-179.3-177.266.5000112.8R474 E475 E476L472-R474 VanDerWaalsContact C-N 3.25Å; L472-R474 PolarHBondContact O-N 3.11Å; L472-E475 PolarHBondContact O-N 2.9Å; L472-E476 PolarHBondContact O-N 2.68Å
473V90.8Very high93.8Very high36 Ų3635.2 Ų35.222%0.21818%0.181CC..Hα-helixtrans-66.2-25.8-178.1-64.60000113.8W449 T471 R651W449-V473 HydrophobicContact CH2-CB 4.21Å; W449-V473 HydrophobicContact CH2-CG2 4.13Å; W449-V473 WeakPolarHBondContact CH2-O 3.39Å; W449-V473 VanDerWaalsContact CZ2-O 3.29Å; W449-V473 WeakPolarHBondContact CZ2-O 3.41Å; T471-V473 VanDerWaalsContact C-N 3.32Å; T471-V473 PolarHBondContact O-N 3.35Å; V473-R651 VanDerWaalsContact CG1-NH1 3.27Å
474R92.7Very high93.8Very high12 Ų1235.5 Ų35.55%0.04518%0.182CC..Hα-helixtrans-82.8-39176.4-70.4176.5177.3162.8-4.1110.5G440 W449 V453 L468 T469 T471 L472 E476 V477 I478 F480G440-R474 PolarHBondContact O-NE 2.95Å; G440-R474 PolarHBondContact O-NH2 3.39Å; W449-R474 HydrophobicContact CH2-CG 4.21Å; W449-R474 HydrophobicContact CZ3-CG 4.2Å; V453-R474 HydrophobicContact CG2-CG 4.08Å; L468-R474 VanDerWaalsContact CD1-NH1 3.34Å; T469-R474 PolarHBondContact O-NH1 2.94Å; T471-R474 PolarHBondContact O-N 3.47Å; T471-R474 WeakPolarHBondContact OG1-CD 3.3Å; T471-R474 VanDerWaalsContact OG1-CG 3.3Å; T471-R474 WeakPolarHBondContact OG1-CG 3.41Å; L472-R474 VanDerWaalsContact C-N 3.25Å; L472-R474 PolarHBondContact O-N 3.11Å; R474-E476 PolarHBondContact O-N 3.28Å; R474-V477 VanDerWaalsContact O-CG2 3.31Å; R474-V477 WeakPolarHBondContact O-CG2 3.32Å; R474-V477 PolarHBondContact O-N 3.49Å; R474-I478 HydrophobicContact CB-CD1 4.33Å; R474-I478 HydrophobicContact CB-CG1 4.32Å; R474-I478 WeakPolarHBondContact O-CG1 3.41Å; R474-I478 PolarHBondContact O-N 2.96Å; R474-F480 HydrophobicContact CB-CE2 3.76Å; R474-F480 HydrophobicContact CB-CZ 3.97Å
475E91.6Very high93.7Very high106 Ų10636 Ų3650%0.49519%0.185SC..Hα-helixtrans-62.5-25.8178.2-163.5172.1-171.800112.8T471 L472 V477 I478T471-E475 PolarHBondContact O-N 3.27Å; L472-E475 PolarHBondContact O-N 2.9Å; E475-V477 VanDerWaalsContact C-N 3.27Å; E475-V477 PolarHBondContact O-N 3.28Å; E475-I478 CarbonylContact C-O 3.54Å; E475-I478 WeakPolarHBondContact CA-O 3.29Å
476E90.7Very high93.6Very high102 Ų10240.3 Ų40.348%0.47722%0.215SC..THydrogen-bonded Turntrans-61.8-32.2171.9-73.6174.7-17100113.3L472 R474 K728L472-E476 PolarHBondContact O-N 2.68Å; R474-E476 PolarHBondContact O-N 3.28Å; E476-K728 PolarHBondContact O-NZ 3.35Å
477V90.9Very high93.5Very high40 Ų4040.5 Ų40.524%0.24222%0.216CC..THydrogen-bonded Turntrans-113.6-22.7-170.5-61.30000114.6W449 V453 V457 R474 E475W449-V477 HydrophobicContact CD2-CG2 4.41Å; W449-V477 HydrophobicContact CZ2-CG1 4.34Å; W449-V477 HydrophobicContact CZ2-CG2 3.92Å; V453-V477 HydrophobicContact CG1-CG2 3.9Å; V457-V477 HydrophobicContact CG2-CB 3.91Å; V457-V477 HydrophobicContact CG2-CG2 3.92Å; R474-V477 VanDerWaalsContact O-CG2 3.31Å; R474-V477 WeakPolarHBondContact O-CG2 3.32Å; R474-V477 PolarHBondContact O-N 3.49Å; E475-V477 VanDerWaalsContact C-N 3.27Å; E475-V477 PolarHBondContact O-N 3.28Å
478I94.8Very high93.4Very high0 Ų040.5 Ų40.50%022%0.216CC..EExtended strand (participates in β ladder)trans-137.9152.5178.252167.6000110.1V453 L456 V457 L468 R474 E475 F480 A725V453-I478 HydrophobicContact CB-CD1 4.47Å; V453-I478 HydrophobicContact CG1-CD1 4.07Å; V453-I478 HydrophobicContact CG1-CG1 4.41Å; V453-I478 HydrophobicContact CG2-CD1 4.04Å; L456-I478 HydrophobicContact CB-CG2 3.8Å; L456-I478 HydrophobicContact CD1-CD1 4.28Å; L456-I478 HydrophobicContact CD1-CG2 4.25Å; V457-I478 HydrophobicContact CG2-CG2 3.79Å; L468-I478 HydrophobicContact CD2-CD1 4.29Å; R474-I478 HydrophobicContact CB-CD1 4.33Å; R474-I478 HydrophobicContact CB-CG1 4.32Å; R474-I478 WeakPolarHBondContact O-CG1 3.41Å; R474-I478 PolarHBondContact O-N 2.96Å; E475-I478 CarbonylContact C-O 3.54Å; E475-I478 WeakPolarHBondContact CA-O 3.29Å; I478-F480 HydrophobicContact CD1-CE1 4.49Å; I478-F480 HydrophobicContact CD1-CE2 3.92Å; I478-F480 HydrophobicContact CD1-CZ 3.72Å; I478-F480 HydrophobicContact CG1-CE2 3.99Å; I478-F480 HydrophobicContact CG1-CZ 4.31Å; I478-A725 HydrophobicContact CD1-CB 3.88Å
479D95Very high93.5Very high16 Ų1640.5 Ų40.59%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-95.1141.5177.9-74.2-23.9000110.6A725 T726 S729 R733D479-A725 CarbonylContact O-C 3.59Å; D479-A725 WeakPolarHBondContact O-CA 3.42Å; D479-T726 PolarHBondContact N-O 3.27Å; D479-T726 PolarHBondContact O-N 3Å; D479-T726 PolarHBondContact O-OG1 3.4Å; D479-S729 PolarHBondContact OD2-N 3.11Å; D479-R733 HydrophobicContact CB-CG 4.4Å; D479-R733 IonicContact OD1-NH1 2.68Å; D479-R733 PolarHBondContact OD1-NH1 3.26Å; D479-R733 IonicContact OD2-CZ 2.9Å; D479-R733 IonicContact OD2-NH1 3.9Å; D479-R733 PolarHBondContact OD2-NH1 3.06Å
480F95.6Very high93.5Very high17 Ų1740.3 Ų40.38%0.07522%0.215CC..EExtended strand (participates in β ladder)trans-109151175.2-72.4-87.6000112.4L468 I470 R474 I478 V724 A725L468-F480 HydrophobicContact CD2-CE1 3.78Å; L468-F480 HydrophobicContact CD2-CZ 3.99Å; L468-F480 HydrophobicContact CG-CE1 4.06Å; L468-F480 HydrophobicContact CG-CZ 4.31Å; I470-F480 HydrophobicContact CD1-CB 4.34Å; I470-F480 HydrophobicContact CG1-CB 4.28Å; I470-F480 HydrophobicContact CG1-CD1 3.75Å; I470-F480 HydrophobicContact CG1-CE1 4.14Å; I470-F480 HydrophobicContact CG1-CG 3.95Å; I470-F480 HydrophobicContact CG2-CD2 4.12Å; I470-F480 HydrophobicContact CG2-CG 4.24Å; R474-F480 HydrophobicContact CB-CE2 3.76Å; R474-F480 HydrophobicContact CB-CZ 3.97Å; I478-F480 HydrophobicContact CD1-CE1 4.49Å; I478-F480 HydrophobicContact CD1-CE2 3.92Å; I478-F480 HydrophobicContact CD1-CZ 3.72Å; I478-F480 HydrophobicContact CG1-CE2 3.99Å; I478-F480 HydrophobicContact CG1-CZ 4.31Å; F480-V724 CarbonylContact C-O 3.57Å; F480-V724 WeakPolarHBondContact CA-O 3.43Å; F480-A725 HydrophobicContact CD1-CB 3.92Å; F480-A725 HydrophobicContact CE1-CB 3.74Å; F480-A725 HydrophobicContact CZ-CB 4.31Å
481S94.9Very high93.5Very high9 Ų938.2 Ų38.26%0.06320%0.204CC..PPolyproline II helixtrans-70.9171.9160.5730000111.1V724S481-V724 PolarHBondContact N-O 2.94Å; S481-V724 PolarHBondContact OG-N 3.41Å
482K94.5Very high93.6Very high121 Ų12136.7 Ų36.753%0.52620%0.195SC..SBendtrans-55.1145.8160.7-67.9-62.9-179.4-175.70110.1F484 N737 L741K482-F484 PolarHBondContact O-N 3.33Å; K482-N737 WeakPolarHBondContact CG-OD1 3.5Å; K482-N737 PolarHBondContact N-OD1 2.87Å; K482-L741 HydrophobicContact CB-CD2 4.22Å; K482-L741 HydrophobicContact CG-CD2 4.18Å
483P95.7Very high93.8Very high62 Ų6231 Ų3140%0.40317%0.165SC..PPolyproline II helixtrans-64.8131.7-176.625.5-33.1000110.3I470 Y722I470-P483 HydrophobicContact CD1-CB 4.11Å; P483-Y722 CarbonylContact C-O 3.6Å; P483-Y722 WeakPolarHBondContact CA-O 3.36Å
484F94.9Very high93.8Very high10 Ų1031.5 Ų31.54%0.04416%0.164CC..SBendtrans-91-14.2177.267-99.4000112.4Y413 L417 K482 Y722 V724 V740 L749Y413-F484 HydrophobicContact CD1-CE2 4.49Å; Y413-F484 AromaticContact CE1-CD2 3.93Å; Y413-F484 HydrophobicContact CE1-CD2 3.93Å; Y413-F484 AromaticContact CE1-CE2 3.62Å; Y413-F484 HydrophobicContact CE1-CE2 3.62Å; L417-F484 HydrophobicContact CD2-CD1 4.2Å; L417-F484 HydrophobicContact CD2-CD2 3.98Å; L417-F484 HydrophobicContact CD2-CE1 4.24Å; L417-F484 HydrophobicContact CD2-CE2 4.07Å; L417-F484 HydrophobicContact CD2-CG 4.07Å; L417-F484 HydrophobicContact CD2-CZ 4.18Å; K482-F484 PolarHBondContact O-N 3.33Å; F484-Y722 VanDerWaalsContact CD1-O 3.31Å; F484-Y722 WeakPolarHBondContact CD1-O 3.42Å; F484-Y722 HydrophobicContact CE2-CD2 4.38Å; F484-Y722 HydrophobicContact CZ-CD2 4.27Å; F484-Y722 HydrophobicContact CZ-CG 4.24Å; F484-Y722 PolarHBondContact N-O 3.44Å; F484-V724 HydrophobicContact CD1-CG2 4.08Å; F484-V724 HydrophobicContact CE1-CG2 4.32Å; F484-V740 HydrophobicContact CB-CG1 3.85Å; F484-L749 HydrophobicContact CB-CD1 4.02Å; F484-L749 HydrophobicContact CB-CD2 4.47Å
485M94.2Very high93.5Very high11 Ų1135.1 Ų35.15%0.05418%0.18CC..EExtended strand (participates in β ladder)trans-150123.6178.4-174.5175.1-70.300110Y413 T697 G721 Y722 K753 W757Y413-M485 HydrophobicContact CD1-CE 4.47Å; Y413-M485 HydrophobicContact CD2-CE 4.49Å; Y413-M485 HydrophobicContact CE1-CE 3.87Å; Y413-M485 HydrophobicContact CE2-CE 3.86Å; M485-T697 HydrophobicContact CG-CG2 4.09Å; M485-T697 HydrophobicContact SD-CG2 3.53Å; M485-T697 VanDerWaalsContact SD-CG2 3.53Å; M485-G721 CarbonylContact O-C 3.56Å; M485-G721 WeakPolarHBondContact O-CA 3.42Å; M485-Y722 HydrophobicContact CB-CD2 4.33Å; M485-Y722 PolarHBondContact O-N 3.26Å; M485-Y722 HydrophobicContact SD-CD2 4.3Å; M485-Y722 HydrophobicContact SD-CE2 4.49Å; M485-K753 HydrophobicContact CE-CD 4.47Å; M485-K753 HydrophobicContact CE-CG 4.34Å; M485-W757 HydrophobicContact CE-CH2 4.19Å; M485-W757 HydrophobicContact CE-CZ3 4.33Å
486S93.2Very high93Very high94 Ų9431.8 Ų31.866%0.65717%0.168SC*.EExtended strand (participates in β ladder)trans-87.4139.2175.6-57.30000111
487L93.6Very high92Very high4 Ų435.3 Ų35.32%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-155.7177.1-176.361.593.5000111.2E695 T697 K720 Y722L487-E695 HydrophobicContact CD1-CB 4.01Å; L487-E695 HydrophobicContact CD1-CG 3.75Å; L487-T697 HydrophobicContact CB-CG2 3.81Å; L487-T697 HydrophobicContact CD2-CG2 4.21Å; L487-K720 HydrophobicContact CD1-CB 3.78Å; L487-K720 HydrophobicContact CG-CB 4.35Å; L487-K720 PolarHBondContact N-O 3.5Å; L487-K720 CarbonylContact O-C 3.57Å; L487-K720 WeakPolarHBondContact O-CA 3.32Å; L487-K720 PolarHBondContact O-N 2.9Å; L487-Y722 HydrophobicContact CD2-CD1 3.64Å; L487-Y722 HydrophobicContact CD2-CD2 3.45Å; L487-Y722 VanDerWaalsContact CD2-CD2 3.45Å; L487-Y722 HydrophobicContact CD2-CE1 3.42Å; L487-Y722 VanDerWaalsContact CD2-CE1 3.42Å; L487-Y722 HydrophobicContact CD2-CE2 3.19Å; L487-Y722 HydrophobicContact CD2-CG 3.66Å
488G94.1Very high90.8Very high0 Ų038.5 Ų38.50%020%0.195CC..  trans-156.6175.2168.600000111.5S490 E695 S696 N716 D718G488-S490 PolarHBondContact O-N 3.06Å; G488-E695 CarbonylContact O-C 3.59Å; G488-E695 WeakPolarHBondContact O-CA 3.21Å; G488-S696 PolarHBondContact N-OG 3.39Å; G488-S696 WeakPolarHBondContact O-CB 3.4Å; G488-S696 PolarHBondContact O-N 3.1Å; G488-N716 PolarHBondContact N-ND2 3.39Å; G488-D718 WeakPolarHBondContact CA-O 3.47Å; G488-D718 WeakPolarHBondContact CA-OD1 3.25Å
489I94.8Very high89.1Confident0 Ų043.3 Ų43.30%023%0.229CC..EExtended strand (participates in β ladder)trans-68.3127.2173.4-53.2161.8000107.8T645 F648 F649 L693 N716 L717 D718I489-T645 HydrophobicContact CD1-CG2 3.84Å; I489-T645 HydrophobicContact CG1-CG2 3.91Å; I489-T645 HydrophobicContact CG2-CG2 3.82Å; I489-F648 HydrophobicContact CD1-CB 4.47Å; I489-F648 HydrophobicContact CD1-CD1 3.36Å; I489-F648 HydrophobicContact CD1-CE1 3.58Å; I489-F648 HydrophobicContact CD1-CG 3.88Å; I489-F648 HydrophobicContact CD1-CZ 4.25Å; I489-F649 HydrophobicContact CD1-CE2 4.35Å; I489-L693 HydrophobicContact CG2-CB 4.24Å; I489-N716 WeakPolarHBondContact O-CA 3.39Å; I489-L717 HydrophobicContact CB-CB 4.22Å; I489-L717 HydrophobicContact CB-CD1 4.12Å; I489-L717 HydrophobicContact CG2-CD1 3.8Å; I489-L717 PolarHBondContact O-N 3.48Å; I489-D718 VanDerWaalsContact CD1-OD2 3.29Å; I489-D718 WeakPolarHBondContact CD1-OD2 3.43Å; I489-D718 PolarHBondContact N-OD1 2.93Å
490S94.8Very high87.4Confident0 Ų050.4 Ų50.40%026%0.258CS..EExtended strand (participates in β ladder)trans-122.9161.5177.9710000110.5G488 L693 L694 S696 N699G488-S490 PolarHBondContact O-N 3.06Å; S490-L693 WeakPolarHBondContact O-CA 3.4Å; S490-L694 PolarHBondContact N-O 3.32Å; S490-L694 PolarHBondContact O-N 2.9Å; S490-L694 VanDerWaalsContact O-N 3.13Å; S490-L694 VanDerWaalsContact O-O 3.07Å; S490-L694 PolarHBondContact OG-O 2.95Å; S490-S696 WeakPolarHBondContact OG-CA 3.34Å; S490-N699 VanDerWaalsContact OG-CB 3.27Å; S490-N699 WeakPolarHBondContact OG-CB 3.38Å; S490-N699 PolarHBondContact OG-ND2 3.32Å
491I95Very high85.9Confident2 Ų252.3 Ų52.31%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-104.4123178.7-56.4160.5000107.9I493 A626 L629 A691 L693 N699 V713I491-I493 HydrophobicContact CG2-CG2 4.11Å; I491-A626 HydrophobicContact CD1-CB 4.14Å; I491-L629 HydrophobicContact CD1-CD1 3.99Å; I491-L629 HydrophobicContact CG1-CD1 4.29Å; I491-L629 HydrophobicContact CG2-CD1 3.93Å; I491-A691 HydrophobicContact CG2-CB 4.17Å; I491-L693 HydrophobicContact CB-CD2 4.28Å; I491-L693 HydrophobicContact CG1-CD2 3.6Å; I491-L693 HydrophobicContact CG2-CD2 4.39Å; I491-N699 PolarHBondContact O-ND2 3.4Å; I491-N699 VanDerWaalsContact O-ND2 3.09Å; I491-V713 HydrophobicContact CB-CG2 3.68Å; I491-V713 HydrophobicContact CG2-CG2 3.53Å; I491-V713 PolarHBondContact O-N 3.23Å; I491-V713 VanDerWaalsContact O-N 3.11Å
492M94.4Very high84.6Confident0 Ų054.3 Ų54.30%030%0.295CS..EExtended strand (participates in β ladder)trans-102.7126.3170.6176.4-173.6-73.400109.7V680 V683 A691 F692 L694 N699 I702 T710M492-V680 HydrophobicContact CE-CG2 4.32Å; M492-V680 HydrophobicContact SD-CG2 4.06Å; M492-V683 HydrophobicContact CG-CG1 4.5Å; M492-A691 WeakPolarHBondContact O-CA 3.39Å; M492-F692 PolarHBondContact N-O 3.45Å; M492-F692 PolarHBondContact O-N 3.29Å; M492-L694 HydrophobicContact CB-CD2 3.48Å; M492-L694 VanDerWaalsContact CB-CD2 3.48Å; M492-L694 HydrophobicContact CE-CD1 3.88Å; M492-L694 HydrophobicContact CE-CD2 4.08Å; M492-L694 HydrophobicContact SD-CD2 4.41Å; M492-N699 HydrophobicContact CE-CB 4.33Å; M492-N699 VanDerWaalsContact CE-OD1 3.28Å; M492-N699 WeakPolarHBondContact CE-OD1 3.38Å; M492-I702 HydrophobicContact CE-CB 3.68Å; M492-I702 HydrophobicContact CE-CG1 4.18Å; M492-I702 HydrophobicContact CE-CG2 3.7Å; M492-I702 HydrophobicContact SD-CG2 4.39Å; M492-T710 HydrophobicContact CG-CG2 4.23Å; M492-T710 HydrophobicContact SD-CG2 3.93Å
493I93.2Very high83.7Confident9 Ų954.8 Ų54.85%0.04631%0.308CS..EExtended strand (participates in β ladder)trans-123.3166.917064.4170.8000110I491 A691 T710 M711 V713I491-I493 HydrophobicContact CG2-CG2 4.11Å; I493-A691 HydrophobicContact CG2-CB 3.85Å; I493-T710 CarbonylContact O-C 3.59Å; I493-T710 WeakPolarHBondContact O-CA 3.35Å; I493-M711 HydrophobicContact CD1-CG 4.01Å; I493-M711 HydrophobicContact CD1-SD 3.85Å; I493-M711 HydrophobicContact CG1-CG 3.43Å; I493-M711 VanDerWaalsContact CG1-CG 3.43Å; I493-M711 HydrophobicContact CG1-SD 3.95Å; I493-M711 PolarHBondContact N-O 3.1Å; I493-M711 VanDerWaalsContact N-O 3.09Å; I493-M711 PolarHBondContact O-N 2.93Å; I493-V713 HydrophobicContact CD1-CG1 3.47Å; I493-V713 VanDerWaalsContact CD1-CG1 3.47Å; I493-V713 HydrophobicContact CD1-CG2 4.32Å; I493-V713 HydrophobicContact CG1-CG1 3.83Å; I493-V713 HydrophobicContact CG1-CG2 4.32Å; I493-V713 HydrophobicContact CG2-CG2 4.2Å
494K91.2Very high82.8Confident46 Ų4658.6 Ų58.620%0.232%0.318CS..EExtended strand (participates in β ladder)trans-70132.2169.2-166.3-177-178.576.80108.4V683 R684 D709K494-V683 HydrophobicContact CB-CG1 4.23Å; K494-R684 PolarHBondContact NZ-O 2.83Å; K494-D709 CarbonylContact C-O 3.56Å; K494-D709 WeakPolarHBondContact CA-O 3.23Å; K494-D709 VanDerWaalsContact CG-O 3.29Å; K494-D709 WeakPolarHBondContact CG-O 3.42Å; K494-D709 IonicContact NZ-OD2 3.62Å; K494-D709 PolarHBondContact NZ-OD2 3.04Å
495K87.3Confident81.9Confident88 Ų8859 Ų5938%0.38332%0.322SS..PPolyproline II helixtrans-57.3122.5173.2-169.7170.1-175.7168.50108.6Q497 D709 M711K495-Q497 PolarHBondContact O-N 2.78Å; K495-D709 PolarHBondContact N-O 3.33Å; K495-M711 HydrophobicContact CB-CB 4.4Å; K495-M711 HydrophobicContact CB-CG 4.49Å; K495-M711 HydrophobicContact CG-SD 4.49Å
496P80.4Confident81.3Confident37 Ų3763.6 Ų63.624%0.2434%0.342CS..PPolyproline II helixtrans-62.3138.2-179.525.9-32.3000108.7M711P496-M711 WeakPolarHBondContact CD-SD 3.49Å; P496-M711 HydrophobicContact CG-SD 4.23Å
497Q70.4Confident80.9Confident175 Ų17562.1 Ų62.182%0.81833%0.326SS*.PPolyproline II helixtrans-70.8143.2169.1-68.1-173.6-36.900108K495 S499K495-Q497 PolarHBondContact O-N 2.78Å; Q497-S499 PolarHBondContact O-N 3.46Å
498K65.9Low80.4Confident108 Ų10866.2 Ų66.247%0.4735%0.348SS..PPolyproline II helixtrans-53.1116.7171.7-66.5-177.1161.1-155.10107.9K500 E617 M619K498-K500 PolarHBondContact O-N 3.39Å; K498-E617 WeakPolarHBondContact CD-OE2 3.35Å; K498-E617 IonicContact NZ-OE2 3.73Å; K498-E617 PolarHBondContact NZ-OE2 3.27Å; K498-M619 HydrophobicContact CG-CE 4.19Å
499S57.9Low80.1Confident101 Ų10166.8 Ų66.871%0.70635%0.352SS*.PPolyproline II helixtrans-62.2128.5177.444.90000108Q497Q497-S499 PolarHBondContact O-N 3.46Å
500K59Low79.8Confident164 Ų16467.5 Ų67.571%0.71336%0.356SS*.PPolyproline II helixtrans-59.9136.5167.3-67-172.3173.2-164.40108K498 G502K498-K500 PolarHBondContact O-N 3.39Å; K500-G502 PolarHBondContact O-N 3.47Å
501P64.7Low79.5Confident57 Ų5769.9 Ų69.937%0.3738%0.375SS..PPolyproline II helixtrans-53.9139.517417.3-25.6000109.7T781P501-T781 HydrophobicContact CG-CG2 4.17Å
502G67.3Low79.2Confident52 Ų5277.6 Ų77.654%0.53641%0.406SS..PPolyproline II helixtrans-66.8164176.100000111.3K500 F504 S505K500-G502 PolarHBondContact O-N 3.47Å; G502-F504 PolarHBondContact O-N 3.17Å; G502-F504 VanDerWaalsContact O-N 3.07Å; G502-S505 WeakPolarHBondContact O-CB 3.49Å; G502-S505 PolarHBondContact O-N 3.03Å
503V75.3Confident79.1Confident130 Ų13083.7 Ų83.779%0.78843%0.434SS*.THydrogen-bonded Turntrans-56-28.7179.1177.30000112.3
504F78.3Confident79.1Confident143 Ų14386.6 Ų86.663%0.62745%0.449SS*.THydrogen-bonded Turntrans-99.417.5179-61.9-66.6000114G502 F506 L507G502-F504 PolarHBondContact O-N 3.17Å; G502-F504 VanDerWaalsContact O-N 3.07Å; F504-F506 HydrophobicContact CD1-CE1 4.16Å; F504-F506 HydrophobicContact CD1-CZ 4.35Å; F504-F506 PolarHBondContact O-N 2.76Å; F504-L507 HydrophobicContact CB-CD1 4.39Å; F504-L507 HydrophobicContact CD1-CD1 4.4Å; F504-L507 WeakPolarHBondContact O-CB 3.47Å; F504-L507 PolarHBondContact O-N 3.01Å
505S75.5Confident79.1Confident17 Ų1788 Ų8812%0.11945%0.453CS..G310 helixtrans-63.2-18.9-174.3-167.70000114G502 L507 D508 F613G502-S505 WeakPolarHBondContact O-CB 3.49Å; G502-S505 PolarHBondContact O-N 3.03Å; S505-L507 PolarHBondContact O-N 3.44Å; S505-D508 VanDerWaalsContact CA-OD2 3.26Å; S505-D508 WeakPolarHBondContact CA-OD2 3.44Å; S505-D508 WeakPolarHBondContact O-CB 3.22Å; S505-D508 PolarHBondContact O-N 3.49Å; S505-D508 PolarHBondContact OG-OD2 3.27Å; S505-F613 WeakPolarHBondContact OG-CE1 3.4Å
506F80.3Confident79.3Confident108 Ų10887.1 Ų87.147%0.47445%0.451SS..G310 helixtrans-66.5-18.1171.969.7-90.7000113.7F504 P509 Y606F504-F506 HydrophobicContact CD1-CE1 4.16Å; F504-F506 HydrophobicContact CD1-CZ 4.35Å; F504-F506 PolarHBondContact O-N 2.76Å; F506-P509 VanDerWaalsContact O-CD 3.23Å; F506-P509 WeakPolarHBondContact O-CD 3.46Å; F506-Y606 PolarHBondContact O-OH 2.85Å
507L86Confident79.9Confident64 Ų6489.2 Ų89.234%0.33547%0.466SS..G310 helixtrans-85.8-21.3175.3-64.5176000112.9F504 S505 L510 W515F504-L507 HydrophobicContact CB-CD1 4.39Å; F504-L507 HydrophobicContact CD1-CD1 4.4Å; F504-L507 WeakPolarHBondContact O-CB 3.47Å; F504-L507 PolarHBondContact O-N 3.01Å; S505-L507 PolarHBondContact O-N 3.44Å; L507-L510 PolarHBondContact O-N 3.3Å; L507-W515 HydrophobicContact CD2-CH2 4.11Å; L507-W515 HydrophobicContact CD2-CZ2 3.63Å; L507-W515 PolarHBondContact O-NE1 2.99Å; L507-W515 VanDerWaalsContact O-NE1 3.09Å
508D83.4Confident80.9Confident89 Ų8981.4 Ų81.448%0.47643%0.429SS..THydrogen-bonded Turntrans-57.9-28.5-178.3-61.5-21.5000115.9S505 L510 F613S505-D508 VanDerWaalsContact CA-OD2 3.26Å; S505-D508 WeakPolarHBondContact CA-OD2 3.44Å; S505-D508 WeakPolarHBondContact O-CB 3.22Å; S505-D508 PolarHBondContact O-N 3.49Å; S505-D508 PolarHBondContact OG-OD2 3.27Å; D508-L510 PolarHBondContact O-N 3.29Å; D508-L510 VanDerWaalsContact O-N 3.12Å; D508-F613 HydrophobicContact CB-CE1 4.29Å; D508-F613 HydrophobicContact CB-CE2 4.07Å; D508-F613 HydrophobicContact CB-CZ 3.82Å
509P87.1Confident82.1Confident13 Ų1379.8 Ų79.88%0.08443%0.429CS..THydrogen-bonded Turntrans-63.2-16.4-179.8-24.734.5000115.3F506 Y606 N609 L610F506-P509 VanDerWaalsContact O-CD 3.23Å; F506-P509 WeakPolarHBondContact O-CD 3.46Å; P509-Y606 HydrophobicContact CB-CD2 4.13Å; P509-Y606 HydrophobicContact CB-CE2 4.07Å; P509-Y606 HydrophobicContact CG-CE2 4.05Å; P509-N609 HydrophobicContact CB-CB 4.02Å; P509-N609 PolarHBondContact O-ND2 3.34Å; P509-L610 HydrophobicContact CB-CB 4.35Å; P509-L610 HydrophobicContact CG-CB 4.03Å; P509-L610 HydrophobicContact CG-CD1 3.69Å; P509-L610 HydrophobicContact CG-CG 4.47Å
510L87.9Confident83.7Confident14 Ų1481.4 Ų81.47%0.07342%0.423CS..SBendtrans-125.2137.8173.9-71.7174000109.6L507 D508 I514 W515 I518 Y606L507-L510 PolarHBondContact O-N 3.3Å; D508-L510 PolarHBondContact O-N 3.29Å; D508-L510 VanDerWaalsContact O-N 3.12Å; L510-I514 HydrophobicContact CD2-CD1 4.2Å; L510-I514 HydrophobicContact CD2-CG2 4.31Å; L510-W515 HydrophobicContact CD1-CZ2 4.24Å; L510-W515 PolarHBondContact O-NE1 2.99Å; L510-I518 HydrophobicContact CD1-CD1 4.31Å; L510-Y606 HydrophobicContact CD1-CD2 3.93Å; L510-Y606 HydrophobicContact CG-CD2 4.12Å
511A89.4Confident85.3Confident50 Ų5075.3 Ų75.341%0.41340%0.403SS..  trans-63.2150.6177.300000111.2E513 I514 W515A511-E513 WeakPolarHBondContact CB-OE2 3.3Å; A511-E513 PolarHBondContact O-N 3.31Å; A511-I514 HydrophobicContact CB-CD1 4.23Å; A511-I514 HydrophobicContact CB-CG1 4.34Å; A511-I514 WeakPolarHBondContact O-CB 3.36Å; A511-I514 PolarHBondContact O-N 3.33Å; A511-W515 PolarHBondContact O-N 3.01Å
512Y89.3Confident86.5Confident165 Ų16574.7 Ų74.765%0.64739%0.394SS*.Hα-helixtrans-56.5-36.2-178.3175.2-103.4000112.4I514 W515 M516Y512-I514 VanDerWaalsContact C-N 3.29Å; Y512-I514 PolarHBondContact O-N 3.17Å; Y512-W515 WeakPolarHBondContact O-CB 3.34Å; Y512-W515 PolarHBondContact O-N 3.01Å; Y512-M516 HydrophobicContact CD1-CG 4.43Å; Y512-M516 HydrophobicContact CE1-CG 3.92Å; Y512-M516 HydrophobicContact CE2-CG 4.36Å; Y512-M516 HydrophobicContact CE2-SD 4.44Å; Y512-M516 PolarHBondContact O-N 3.47Å; Y512-M516 VanDerWaalsContact O-N 3.12Å
513E92.3Very high87.7Confident128 Ų12876.2 Ų76.260%0.59839%0.389SS*.Hα-helixtrans-62.1-37177.5-59.379-174.800111.9A511 M516 C517A511-E513 WeakPolarHBondContact CB-OE2 3.3Å; A511-E513 PolarHBondContact O-N 3.31Å; E513-M516 PolarHBondContact O-N 2.91Å; E513-C517 PolarHBondContact O-N 3.24Å; E513-C517 PolarHBondContact O-SG 3.42Å
514I91.9Very high88.4Confident69 Ų6971.6 Ų71.635%0.35437%0.367SS..Hα-helixtrans-70.8-41.5179.2-58.8173.6000110L510 A511 Y512 M516 C517 I518L510-I514 HydrophobicContact CD2-CD1 4.2Å; L510-I514 HydrophobicContact CD2-CG2 4.31Å; A511-I514 HydrophobicContact CB-CD1 4.23Å; A511-I514 HydrophobicContact CB-CG1 4.34Å; A511-I514 WeakPolarHBondContact O-CB 3.36Å; A511-I514 PolarHBondContact O-N 3.33Å; Y512-I514 VanDerWaalsContact C-N 3.29Å; Y512-I514 PolarHBondContact O-N 3.17Å; I514-M516 VanDerWaalsContact C-N 3.3Å; I514-M516 PolarHBondContact O-N 3.08Å; I514-C517 WeakPolarHBondContact O-CB 3.5Å; I514-C517 PolarHBondContact O-N 3.44Å; I514-C517 VanDerWaalsContact O-N 3.12Å; I514-I518 HydrophobicContact CG2-CD1 4.01Å; I514-I518 HydrophobicContact CG2-CG1 4.4Å; I514-I518 WeakPolarHBondContact O-CG1 2.96Å; I514-I518 PolarHBondContact O-N 3.29Å
515W90.9Very high89Confident75 Ų7566.1 Ų66.128%0.28435%0.346SS..Hα-helixtrans-57.1-44.3174.2-77.4112.2000112L507 L510 A511 Y512 C517 I518 V519 Y606L507-W515 HydrophobicContact CD2-CH2 4.11Å; L507-W515 HydrophobicContact CD2-CZ2 3.63Å; L507-W515 PolarHBondContact O-NE1 2.99Å; L507-W515 VanDerWaalsContact O-NE1 3.09Å; L510-W515 HydrophobicContact CD1-CZ2 4.24Å; L510-W515 PolarHBondContact O-NE1 2.99Å; A511-W515 PolarHBondContact O-N 3.01Å; Y512-W515 WeakPolarHBondContact O-CB 3.34Å; Y512-W515 PolarHBondContact O-N 3.01Å; W515-C517 PolarHBondContact O-N 3.35Å; W515-I518 HydrophobicContact CE3-CD1 4.36Å; W515-I518 PolarHBondContact O-N 2.92Å; W515-V519 WeakPolarHBondContact O-CG2 3.33Å; W515-V519 PolarHBondContact O-N 3.5Å; W515-V519 VanDerWaalsContact O-N 3.15Å; W515-Y606 HydrophobicContact CZ2-CE2 4.33Å
516M91.8Very high89.6Confident71 Ų7165.7 Ų65.735%0.3534%0.342SS..Hα-helixtrans-62.6-41.9174.9-68.3-60.8-66.300112.1Y512 E513 I514 I518 V519 F520Y512-M516 HydrophobicContact CD1-CG 4.43Å; Y512-M516 HydrophobicContact CE1-CG 3.92Å; Y512-M516 HydrophobicContact CE2-CG 4.36Å; Y512-M516 HydrophobicContact CE2-SD 4.44Å; Y512-M516 PolarHBondContact O-N 3.47Å; Y512-M516 VanDerWaalsContact O-N 3.12Å; E513-M516 PolarHBondContact O-N 2.91Å; I514-M516 VanDerWaalsContact C-N 3.3Å; I514-M516 PolarHBondContact O-N 3.08Å; M516-I518 VanDerWaalsContact C-N 3.35Å; M516-I518 PolarHBondContact O-N 2.9Å; M516-V519 PolarHBondContact O-N 2.91Å; M516-F520 HydrophobicContact CB-CE2 4.49Å; M516-F520 HydrophobicContact CE-CE2 4.16Å; M516-F520 HydrophobicContact CE-CZ 4.11Å; M516-F520 WeakPolarHBondContact O-CD2 3.23Å; M516-F520 PolarHBondContact O-N 3.32Å
517C92.8Very high90Very high80 Ų8064.1 Ų64.154%0.54134%0.341SS..Hα-helixtrans-63.3-38.6176.4-67.10000112.5E513 I514 W515 F520 A521E513-C517 PolarHBondContact O-N 3.24Å; E513-C517 PolarHBondContact O-SG 3.42Å; I514-C517 WeakPolarHBondContact O-CB 3.5Å; I514-C517 PolarHBondContact O-N 3.44Å; I514-C517 VanDerWaalsContact O-N 3.12Å; W515-C517 PolarHBondContact O-N 3.35Å; C517-F520 PolarHBondContact O-N 2.91Å; C517-A521 VanDerWaalsContact O-CB 3.24Å; C517-A521 WeakPolarHBondContact O-CB 3.22Å; C517-A521 PolarHBondContact O-N 3.4Å
518I91.5Very high90.1Very high11 Ų1164.3 Ų64.36%0.05635%0.345CS..Hα-helixtrans-62.4-44.3176.5-69.3163.8000110.4L510 I514 W515 M516 A521 Y522 F574 I602L510-I518 HydrophobicContact CD1-CD1 4.31Å; I514-I518 HydrophobicContact CG2-CD1 4.01Å; I514-I518 HydrophobicContact CG2-CG1 4.4Å; I514-I518 WeakPolarHBondContact O-CG1 2.96Å; I514-I518 PolarHBondContact O-N 3.29Å; W515-I518 HydrophobicContact CE3-CD1 4.36Å; W515-I518 PolarHBondContact O-N 2.92Å; M516-I518 VanDerWaalsContact C-N 3.35Å; M516-I518 PolarHBondContact O-N 2.9Å; I518-A521 PolarHBondContact O-N 3.36Å; I518-Y522 VanDerWaalsContact O-CB 3.23Å; I518-Y522 WeakPolarHBondContact O-CB 3.41Å; I518-Y522 PolarHBondContact O-N 3.03Å; I518-F574 HydrophobicContact CG2-CE2 3.79Å; I518-F574 HydrophobicContact CG2-CZ 3.85Å; I518-I602 HydrophobicContact CD1-CG2 3.86Å; I518-I602 HydrophobicContact CG1-CG2 4.5Å
519V91.4Very high90.1Very high75 Ų7560.1 Ų60.146%0.45532%0.323SS..Hα-helixtrans-62.9-44.4177.6174.20000111.2W515 M516 Y522 I523W515-V519 WeakPolarHBondContact O-CG2 3.33Å; W515-V519 PolarHBondContact O-N 3.5Å; W515-V519 VanDerWaalsContact O-N 3.15Å; M516-V519 PolarHBondContact O-N 2.91Å; V519-Y522 PolarHBondContact O-N 2.88Å; V519-I523 HydrophobicContact CG1-CD1 4.15Å; V519-I523 WeakPolarHBondContact O-CG1 3.44Å; V519-I523 PolarHBondContact O-N 3.49Å; V519-I523 VanDerWaalsContact O-N 3.11Å
520F92.3Very high89.9Confident135 Ų13562 Ų6259%0.59233%0.33SS*.Hα-helixtrans-66.6-41.9176.9-69.3-47.4000112.7M516 C517 Y522 I523 G524M516-F520 HydrophobicContact CB-CE2 4.49Å; M516-F520 HydrophobicContact CE-CE2 4.16Å; M516-F520 HydrophobicContact CE-CZ 4.11Å; M516-F520 WeakPolarHBondContact O-CD2 3.23Å; M516-F520 PolarHBondContact O-N 3.32Å; C517-F520 PolarHBondContact O-N 2.91Å; F520-Y522 VanDerWaalsContact C-N 3.35Å; F520-I523 PolarHBondContact O-N 3.04Å; F520-G524 PolarHBondContact O-N 2.79Å
521A91.3Very high89.7Confident35 Ų3565.1 Ų65.129%0.28935%0.346SS..Hα-helixtrans-63.8-41.2176.700000111.5C517 I518 G524 V525 W595 F598C517-A521 VanDerWaalsContact O-CB 3.24Å; C517-A521 WeakPolarHBondContact O-CB 3.22Å; C517-A521 PolarHBondContact O-N 3.4Å; I518-A521 PolarHBondContact O-N 3.36Å; A521-G524 PolarHBondContact O-N 3.11Å; A521-V525 WeakPolarHBondContact O-CB 3.5Å; A521-V525 VanDerWaalsContact O-CG2 3.31Å; A521-V525 WeakPolarHBondContact O-CG2 3.38Å; A521-V525 PolarHBondContact O-N 2.91Å; A521-W595 HydrophobicContact CB-CZ3 4.25Å; A521-F598 HydrophobicContact CB-CE1 4.45Å; A521-F598 HydrophobicContact CB-CZ 4.43Å
522Y90.9Very high89.4Confident44 Ų4464.5 Ų64.517%0.17334%0.337CS..Hα-helixtrans-56.6-56.6174.5165-111.1000111.5I518 V519 F520 G524 V525 S526 L567 S570 L571 W595I518-Y522 VanDerWaalsContact O-CB 3.23Å; I518-Y522 WeakPolarHBondContact O-CB 3.41Å; I518-Y522 PolarHBondContact O-N 3.03Å; V519-Y522 PolarHBondContact O-N 2.88Å; F520-Y522 VanDerWaalsContact C-N 3.35Å; Y522-G524 VanDerWaalsContact C-N 3.3Å; Y522-G524 PolarHBondContact O-N 2.94Å; Y522-V525 PolarHBondContact O-N 2.84Å; Y522-S526 PolarHBondContact O-N 2.96Å; Y522-S526 PolarHBondContact O-OG 2.85Å; Y522-L567 HydrophobicContact CE1-CD1 3.67Å; Y522-L567 HydrophobicContact CE1-CG 4.43Å; Y522-L567 HydrophobicContact CE2-CD1 4.36Å; Y522-L567 WeakPolarHBondContact OH-CD1 3.39Å; Y522-L567 VanDerWaalsContact OH-CG 3.24Å; Y522-L567 WeakPolarHBondContact OH-CG 3.3Å; Y522-S570 WeakPolarHBondContact CE2-OG 3.42Å; Y522-L571 HydrophobicContact CE2-CB 3.9Å; Y522-L571 HydrophobicContact CE2-CD1 4.34Å; Y522-W595 HydrophobicContact CD2-CZ2 4.24Å
523I91.3Very high88.7Confident84 Ų8456.7 Ų56.743%0.43131%0.306SS..Hα-helixtrans-59.8-43.4178.5-63.6168.4000110.6V519 F520 V525 S526 V527V519-I523 HydrophobicContact CG1-CD1 4.15Å; V519-I523 WeakPolarHBondContact O-CG1 3.44Å; V519-I523 PolarHBondContact O-N 3.49Å; V519-I523 VanDerWaalsContact O-N 3.11Å; F520-I523 PolarHBondContact O-N 3.04Å; I523-V525 PolarHBondContact O-N 2.98Å; I523-S526 PolarHBondContact O-N 3.38Å; I523-V527 HydrophobicContact CG2-CG2 4.39Å; I523-V527 WeakPolarHBondContact O-CG2 3.43Å; I523-V527 PolarHBondContact O-N 3.4Å
524G91.1Very high87.8Confident33 Ų3356.3 Ų56.334%0.3430%0.3SS..Hα-helixtrans-59-45.5178.800000112.6F520 A521 Y522 V527 V528F520-G524 PolarHBondContact O-N 2.79Å; A521-G524 PolarHBondContact O-N 3.11Å; Y522-G524 VanDerWaalsContact C-N 3.3Å; Y522-G524 PolarHBondContact O-N 2.94Å; G524-V527 PolarHBondContact O-N 2.8Å; G524-V528 WeakPolarHBondContact O-CB 3.25Å; G524-V528 VanDerWaalsContact O-CG2 3.27Å; G524-V528 WeakPolarHBondContact O-CG2 3.29Å; G524-V528 PolarHBondContact O-N 3.03Å
525V90Very high86.9Confident29 Ų2960.8 Ų60.818%0.17632%0.317CS..Hα-helixtrans-67.8-40.9177.6170.90000111.4A521 Y522 I523 V527 V528 L529 V591 W595A521-V525 WeakPolarHBondContact O-CB 3.5Å; A521-V525 VanDerWaalsContact O-CG2 3.31Å; A521-V525 WeakPolarHBondContact O-CG2 3.38Å; A521-V525 PolarHBondContact O-N 2.91Å; Y522-V525 PolarHBondContact O-N 2.84Å; I523-V525 PolarHBondContact O-N 2.98Å; V525-V527 VanDerWaalsContact C-N 3.31Å; V525-V527 PolarHBondContact O-N 2.88Å; V525-V528 PolarHBondContact O-N 2.83Å; V525-L529 VanDerWaalsContact O-CB 3.23Å; V525-L529 WeakPolarHBondContact O-CB 3.47Å; V525-L529 PolarHBondContact O-N 3.18Å; V525-V591 HydrophobicContact CG1-CG1 4.29Å; V525-W595 HydrophobicContact CB-CD2 4.32Å; V525-W595 HydrophobicContact CB-CE3 4.1Å; V525-W595 HydrophobicContact CB-CZ3 4.42Å; V525-W595 HydrophobicContact CG1-CB 4.07Å; V525-W595 HydrophobicContact CG1-CD2 3.94Å; V525-W595 HydrophobicContact CG1-CE3 4.17Å; V525-W595 HydrophobicContact CG1-CG 3.91Å; V525-W595 HydrophobicContact CG2-CD2 4.25Å; V525-W595 HydrophobicContact CG2-CE3 3.62Å; V525-W595 HydrophobicContact CG2-CZ3 3.99Å
526S88.4Confident85.8Confident7 Ų758 Ų585%0.04931%0.309CS..Hα-helixtrans-60.1-41.7175.8-43.90000111.9Y522 I523 F530 S570Y522-S526 PolarHBondContact O-N 2.96Å; Y522-S526 PolarHBondContact O-OG 2.85Å; I523-S526 PolarHBondContact O-N 3.38Å; S526-F530 WeakPolarHBondContact O-CB 3.45Å; S526-F530 PolarHBondContact O-N 3.32Å; S526-S570 PolarHBondContact OG-OG 2.63Å
527V88.5Confident84.4Confident75 Ų7559.4 Ų59.446%0.45532%0.323SS..Hα-helixtrans-68.9-45.2178172.40000111.4I523 G524 V525 L529 F530 L531I523-V527 HydrophobicContact CG2-CG2 4.39Å; I523-V527 WeakPolarHBondContact O-CG2 3.43Å; I523-V527 PolarHBondContact O-N 3.4Å; G524-V527 PolarHBondContact O-N 2.8Å; V525-V527 VanDerWaalsContact C-N 3.31Å; V525-V527 PolarHBondContact O-N 2.88Å; V527-L529 VanDerWaalsContact C-N 3.32Å; V527-L529 PolarHBondContact O-N 2.63Å; V527-F530 PolarHBondContact O-N 2.82Å; V527-L531 HydrophobicContact CG1-CD1 4.14Å; V527-L531 HydrophobicContact CG1-CG 4.48Å; V527-L531 WeakPolarHBondContact O-CG 3.44Å; V527-L531 PolarHBondContact O-N 3.31Å
528V88.1Confident82.9Confident68 Ų6865.3 Ų65.341%0.41234%0.335SS..Hα-helixtrans-61.7-43177.4169.90000110.7G524 V525 L531 V532 V591G524-V528 WeakPolarHBondContact O-CB 3.25Å; G524-V528 VanDerWaalsContact O-CG2 3.27Å; G524-V528 WeakPolarHBondContact O-CG2 3.29Å; G524-V528 PolarHBondContact O-N 3.03Å; V525-V528 PolarHBondContact O-N 2.83Å; V528-L531 PolarHBondContact O-N 3.3Å; V528-V532 HydrophobicContact CG1-CG2 4.33Å; V528-V532 WeakPolarHBondContact O-CB 3.4Å; V528-V532 VanDerWaalsContact O-CG2 3.28Å; V528-V532 WeakPolarHBondContact O-CG2 3.42Å; V528-V532 PolarHBondContact O-N 3.07Å; V528-V591 HydrophobicContact CG1-CG1 4.19Å; V528-V591 HydrophobicContact CG1-CG2 4.07Å
529L83.7Confident81.4Confident2 Ų265.4 Ų65.41%0.0134%0.336CS..Hα-helixtrans-65.2-43178.1-163.4140000111V525 V527 L531 V532 S533 F561 F569 V591V525-L529 VanDerWaalsContact O-CB 3.23Å; V525-L529 WeakPolarHBondContact O-CB 3.47Å; V525-L529 PolarHBondContact O-N 3.18Å; V527-L529 VanDerWaalsContact C-N 3.32Å; V527-L529 PolarHBondContact O-N 2.63Å; L529-L531 PolarHBondContact O-N 2.02Å; L529-V532 PolarHBondContact O-N 2.91Å; L529-S533 VanDerWaalsContact O-CB 3.25Å; L529-S533 WeakPolarHBondContact O-CB 3.47Å; L529-S533 PolarHBondContact O-N 3.26Å; L529-S533 PolarHBondContact O-OG 3.23Å; L529-F561 HydrophobicContact CD2-CD1 3.59Å; L529-F561 HydrophobicContact CD2-CE1 3.71Å; L529-F561 HydrophobicContact CD2-CG 4.4Å; L529-F569 HydrophobicContact CD1-CD1 3.7Å; L529-F569 HydrophobicContact CD1-CE1 3.7Å; L529-F569 HydrophobicContact CD2-CD1 4.34Å; L529-V591 HydrophobicContact CB-CG1 4.42Å; L529-V591 HydrophobicContact CD1-CG1 4.34Å
530F84.1Confident80.1Confident52 Ų5264.4 Ų64.423%0.22832%0.324CS..Hα-helixtrans-57.4-45.7172.4170.9-106.9000112.8S526 V527 S533 R534 I563S526-F530 WeakPolarHBondContact O-CB 3.45Å; S526-F530 PolarHBondContact O-N 3.32Å; V527-F530 PolarHBondContact O-N 2.82Å; F530-S533 PolarHBondContact O-N 3.1Å; F530-R534 WeakPolarHBondContact O-CB 3.21Å; F530-R534 PolarHBondContact O-N 3.24Å; F530-I563 HydrophobicContact CD1-CG1 4.07Å; F530-I563 HydrophobicContact CD2-CB 4.38Å; F530-I563 HydrophobicContact CD2-CG1 3.65Å; F530-I563 HydrophobicContact CE1-CD1 4.26Å; F530-I563 HydrophobicContact CE1-CG1 3.85Å; F530-I563 HydrophobicContact CE2-CB 4.46Å; F530-I563 HydrophobicContact CE2-CD1 4.35Å; F530-I563 HydrophobicContact CE2-CG1 3.41Å; F530-I563 VanDerWaalsContact CE2-CG1 3.41Å; F530-I563 HydrophobicContact CG-CG1 3.97Å; F530-I563 HydrophobicContact CZ-CD1 4.01Å; F530-I563 HydrophobicContact CZ-CG1 3.51Å
531L82.8Confident78.6Confident80 Ų8060.1 Ų60.142%0.41931%0.306SS..Hα-helixtrans-64.6-49.3178.9-69.4172.7000111.5V527 V528 L529 S533 R534 F535V527-L531 HydrophobicContact CG1-CD1 4.14Å; V527-L531 HydrophobicContact CG1-CG 4.48Å; V527-L531 WeakPolarHBondContact O-CG 3.44Å; V527-L531 PolarHBondContact O-N 3.31Å; V528-L531 PolarHBondContact O-N 3.3Å; L529-L531 PolarHBondContact O-N 2.02Å; L531-S533 VanDerWaalsContact C-N 3.27Å; L531-S533 PolarHBondContact O-N 2.93Å; L531-R534 PolarHBondContact O-N 2.9Å; L531-F535 HydrophobicContact CD2-CE2 4.2Å; L531-F535 WeakPolarHBondContact O-CD2 3.47Å; L531-F535 PolarHBondContact O-N 3.04Å
532V82.7Confident76.6Confident37 Ų3766.3 Ų66.322%0.22433%0.333CS..Hα-helixtrans-60.3-40.7179.5171.60000110.8V528 L529 F535 S536V528-V532 HydrophobicContact CG1-CG2 4.33Å; V528-V532 WeakPolarHBondContact O-CB 3.4Å; V528-V532 VanDerWaalsContact O-CG2 3.28Å; V528-V532 WeakPolarHBondContact O-CG2 3.42Å; V528-V532 PolarHBondContact O-N 3.07Å; L529-V532 PolarHBondContact O-N 2.91Å; V532-F535 PolarHBondContact O-N 2.85Å; V532-S536 WeakPolarHBondContact O-CB 3.39Å; V532-S536 PolarHBondContact O-N 3.29Å
533S74.8Confident74.5Confident0 Ų069.6 Ų69.60%035%0.354CS..Hα-helixtrans-67.5-34.6177-67.50000113.7L529 F530 L531 E539 N559L529-S533 VanDerWaalsContact O-CB 3.25Å; L529-S533 WeakPolarHBondContact O-CB 3.47Å; L529-S533 PolarHBondContact O-N 3.26Å; L529-S533 PolarHBondContact O-OG 3.23Å; F530-S533 PolarHBondContact O-N 3.1Å; L531-S533 VanDerWaalsContact C-N 3.27Å; L531-S533 PolarHBondContact O-N 2.93Å; S533-E539 WeakPolarHBondContact CA-OE2 3.21Å; S533-E539 WeakPolarHBondContact CB-OE2 3.45Å; S533-E539 PolarHBondContact OG-OE2 2.7Å; S533-N559 PolarHBondContact O-ND2 3Å
534R74.3Confident72.3Confident120 Ų12074.8 Ų74.845%0.45338%0.376SS..Hα-helixtrans-74.5-32.9177-169.162.1170.487.7-15.9113F530 L531F530-R534 WeakPolarHBondContact O-CB 3.21Å; F530-R534 PolarHBondContact O-N 3.24Å; L531-R534 PolarHBondContact O-N 2.9Å
535F72.3Confident70.2Confident164 Ų16480 Ų8072%0.71940%0.396SS*.Hα-helixtrans-91.4-20.6-176.2-76.1-66.8000114.5L531 V532 P537L531-F535 HydrophobicContact CD2-CE2 4.2Å; L531-F535 WeakPolarHBondContact O-CD2 3.47Å; L531-F535 PolarHBondContact O-N 3.04Å; V532-F535 PolarHBondContact O-N 2.85Å; F535-P537 WeakPolarHBondContact O-CD 3.38Å
536S68.9Low67.9Low17 Ų1785.8 Ų85.812%0.11943%0.426CS..  trans-84.3117.9178.693.80000110.8V532 Y538 E539 W540 S585V532-S536 WeakPolarHBondContact O-CB 3.39Å; V532-S536 PolarHBondContact O-N 3.29Å; S536-Y538 PolarHBondContact O-N 3.39Å; S536-E539 PolarHBondContact O-N 2.94Å; S536-W540 PolarHBondContact O-NE1 3.21Å; S536-S585 WeakPolarHBondContact OG-CB 3.22Å
537P62.1Low65.8Low99 Ų9994.7 Ų94.764%0.64347%0.467SS*.G310 helixtrans-65.5-20-179.3-21.433.7000113.7F535 E539 W540F535-P537 WeakPolarHBondContact O-CD 3.38Å; P537-E539 VanDerWaalsContact C-N 3.32Å; P537-E539 PolarHBondContact O-N 2.93Å; P537-W540 PolarHBondContact O-N 3.3Å
538Y61Low63.8Low204 Ų20495.3 Ų95.380%0.848%0.48SS*.G310 helixtrans-78.9-7.4-177.9-65.8-76.3000114.8S536S536-Y538 PolarHBondContact O-N 3.39Å
539E60.6Low61.6Low14 Ų14102 Ų1027%0.06550%0.503CS..G310 helixtrans-96.4-3.8173.8-84.3-178.3-165.900113.7S533 S536 P537 R584 S585S533-E539 WeakPolarHBondContact CA-OE2 3.21Å; S533-E539 WeakPolarHBondContact CB-OE2 3.45Å; S533-E539 PolarHBondContact OG-OE2 2.7Å; S536-E539 PolarHBondContact O-N 2.94Å; P537-E539 VanDerWaalsContact C-N 3.32Å; P537-E539 PolarHBondContact O-N 2.93Å; E539-R584 HydrophobicContact CG-CB 4.29Å; E539-S585 WeakPolarHBondContact OE1-CB 3.21Å; E539-S585 PolarHBondContact OE1-N 3.45Å; E539-S585 PolarHBondContact OE1-OG 2.81Å
540W63.9Low59.7Low54 Ų54108 Ų10821%0.20554%0.536CS..SBendtrans-82.9131.5175.9-62.671.1000109.5S536 P537 L542 P557S536-W540 PolarHBondContact O-NE1 3.21Å; P537-W540 PolarHBondContact O-N 3.3Å; W540-L542 PolarHBondContact O-N 3.49Å; W540-P557 HydrophobicContact CB-CB 4.47Å; W540-P557 HydrophobicContact CB-CG 4.39Å; W540-P557 HydrophobicContact CD2-CG 4.36Å; W540-P557 HydrophobicContact CE3-CB 3.87Å; W540-P557 HydrophobicContact CE3-CG 3.49Å; W540-P557 VanDerWaalsContact CE3-CG 3.49Å; W540-P557 VanDerWaalsContact CE3-O 3.24Å; W540-P557 HydrophobicContact CZ3-CG 4.09Å; W540-P557 VanDerWaalsContact CZ3-O 3.3Å; W540-P557 WeakPolarHBondContact CZ3-O 3.37Å
541H59.6Low58.1Low45 Ų45111.8 Ų111.821%0.20857%0.565CS.*  trans-70.3114.7170.7-69.3-69.5000108.7D543 P557 P558 D560 R584H541-D543 PolarHBondContact O-N 3.46Å; H541-P557 WeakPolarHBondContact O-CB 3.39Å; H541-P558 PolarHBondContact CD2-O 3.34Å; H541-D560 IonicContact CD2-OD1 2.78Å; H541-D560 IonicContact CD2-OD2 3.04Å; H541-D560 IonicContact CE1-OD2 3.7Å; H541-D560 VanDerWaalsContact NE2-CG 3.28Å; H541-D560 IonicContact NE2-OD1 3.24Å; H541-D560 PolarHBondContact NE2-OD1 3.15Å; H541-D560 IonicContact NE2-OD2 2.83Å; H541-D560 PolarHBondContact NE2-OD2 2.87Å; H541-R584 PolarHBondContact CE1-NH1 3.26Å; H541-R584 PolarHBondContact ND1-NH1 2.94Å
542L50.4Low56.3Low164 Ų164116.7 Ų116.786%0.85959%0.586SS**  trans-80.199.8152.6-77.5157.5000105W540 E544W540-L542 PolarHBondContact O-N 3.49Å; L542-E544 PolarHBondContact O-N 2.67Å; L542-E544 VanDerWaalsContact O-N 3.1Å
543D46.8Very low54.4Low114 Ų114119.4 Ų119.461%0.6161%0.607SS**  trans-60113.4167.3-97-36.8000107.8H541 N545H541-D543 PolarHBondContact O-N 3.46Å; D543-N545 PolarHBondContact O-N 3.26Å
544E45Very low53.1Low192 Ų192124.7 Ų124.790%0.89764%0.641SS**SBendtrans-77.75.3170-97.7-176163.700112.3L542L542-E544 PolarHBondContact O-N 2.67Å; L542-E544 VanDerWaalsContact O-N 3.1Å
545N46.8Very low51.8Low144 Ų144124.8 Ų124.877%0.7766%0.657SS**  trans-122.683.5176.2-75.4-26.4000111.2D543D543-N545 PolarHBondContact O-N 3.26Å
546D40.5Very low50.4Low149 Ų149122.9 Ų122.980%0.79765%0.654SS**  trans-135.393.4153.5-111.1-19.3000109.2A548D546-A548 PolarHBondContact O-N 2.8Å
547E45.2Very low49.8Very low194 Ų194124.2 Ų124.291%0.90766%0.663SS**  trans-64110.6154.4-80.6-16814700108.2
548A46.9Very low49.6Very low89 Ų89122.9 Ų122.974%0.73665%0.654SS**  trans42.9101.2156.300000117.9D546D546-A548 PolarHBondContact O-N 2.8Å
549K41.8Very low49.7Very low208 Ų208114.8 Ų114.890%0.90463%0.625SS**  trans-163.5135.6139.9-110159.4-171.1179.30115.7
550D43.4Very low50Low128 Ų128117.4 Ų117.468%0.68464%0.639SS**  trans50.2115.9153.6-129.9-13.6000121.6Q552D550-Q552 VanDerWaalsContact C-N 3.33Å; D550-Q552 PolarHBondContact O-N 3.41Å; D550-Q552 VanDerWaalsContact O-N 3.12Å
551P49.9Very low50.3Low131 Ų131115.3 Ų115.385%0.85163%0.632SS**THydrogen-bonded Turntrans-84.633.7-175.130.1-26.5000116
552Q46Very low51Low183 Ų183114.6 Ų114.686%0.85564%0.636SS**THydrogen-bonded Turntrans-127.215.1-174.1-103.2169.19.100118.2D550D550-Q552 VanDerWaalsContact C-N 3.33Å; D550-Q552 PolarHBondContact O-N 3.41Å; D550-Q552 VanDerWaalsContact O-N 3.12Å
553S42.4Very low52.3Low95 Ų95111.9 Ų111.966%0.66462%0.622SS**SBendtrans-119.8136.8167.751.50000111.5
554P46.5Very low53.9Low110 Ų110114.3 Ų114.371%0.71463%0.627SS**  trans-62.5142.3174.925.6-30.8000110.4D556P554-D556 PolarHBondContact O-N 3.36Å; P554-D556 VanDerWaalsContact O-N 3.17Å
555P47.8Very low55.7Low123 Ų123108.3 Ų108.380%0.79960%0.601SS**  trans-8295.4178.532.9-28.8000108P557P555-P557 VanDerWaalsContact O-CD 3.3Å; P555-P557 WeakPolarHBondContact O-CD 3.32Å
556D43.1Very low57.4Low123 Ų123101.5 Ų101.566%0.65856%0.564SS**  trans-98.6100.6159.5-83.4-34.2000107P554P554-D556 PolarHBondContact O-N 3.36Å; P554-D556 VanDerWaalsContact O-N 3.17Å
557P55Low59.7Low45 Ų4597.3 Ų97.329%0.29254%0.542SS..PPolyproline II helixtrans-62.2144.9176.31.51.9000110.5W540 H541 P555 N559W540-P557 HydrophobicContact CB-CB 4.47Å; W540-P557 HydrophobicContact CB-CG 4.39Å; W540-P557 HydrophobicContact CD2-CG 4.36Å; W540-P557 HydrophobicContact CE3-CB 3.87Å; W540-P557 HydrophobicContact CE3-CG 3.49Å; W540-P557 VanDerWaalsContact CE3-CG 3.49Å; W540-P557 VanDerWaalsContact CE3-O 3.24Å; W540-P557 HydrophobicContact CZ3-CG 4.09Å; W540-P557 VanDerWaalsContact CZ3-O 3.3Å; W540-P557 WeakPolarHBondContact CZ3-O 3.37Å; H541-P557 WeakPolarHBondContact O-CB 3.39Å; P555-P557 VanDerWaalsContact O-CD 3.3Å; P555-P557 WeakPolarHBondContact O-CD 3.32Å; P557-N559 PolarHBondContact O-N 2.8Å
558P58.5Low61.6Low72 Ų7295.9 Ų95.947%0.46853%0.528SS..PPolyproline II helixtrans-67.1120.5178.326.5-31000109.7H541H541-P558 PolarHBondContact CD2-O 3.34Å
559N64.4Low63.4Low33 Ų3392.3 Ų92.318%0.17650%0.496CS..PPolyproline II helixtrans-94.9120.2166.6-174.2-14.7000108.2S533 P557 F561S533-N559 PolarHBondContact O-ND2 3Å; P557-N559 PolarHBondContact O-N 2.8Å; N559-F561 PolarHBondContact O-N 3.09Å; N559-F561 PolarHBondContact OD1-N 2.96Å
560D66.2Low65.5Low69 Ų6982.5 Ų82.537%0.36945%0.453SS..SBendtrans-64.9-18.7179.5-68.9-18.1000112.7H541 G562 N565 I581H541-D560 IonicContact CD2-OD1 2.78Å; H541-D560 IonicContact CD2-OD2 3.04Å; H541-D560 IonicContact CE1-OD2 3.7Å; H541-D560 VanDerWaalsContact NE2-CG 3.28Å; H541-D560 IonicContact NE2-OD1 3.24Å; H541-D560 PolarHBondContact NE2-OD1 3.15Å; H541-D560 IonicContact NE2-OD2 2.83Å; H541-D560 PolarHBondContact NE2-OD2 2.87Å; D560-G562 PolarHBondContact O-N 3.13Å; D560-N565 VanDerWaalsContact O-CB 3.3Å; D560-N565 WeakPolarHBondContact O-CB 3.14Å; D560-N565 PolarHBondContact O-ND2 3.34Å; D560-I581 HydrophobicContact CB-CG2 4.04Å
561F69.3Low67.6Low11 Ų1179.1 Ų79.15%0.04844%0.435CS..  trans-9574.6178.2-76.1-78.3000112.6L529 N559 F569 I581 P583L529-F561 HydrophobicContact CD2-CD1 3.59Å; L529-F561 HydrophobicContact CD2-CE1 3.71Å; L529-F561 HydrophobicContact CD2-CG 4.4Å; N559-F561 PolarHBondContact O-N 3.09Å; N559-F561 PolarHBondContact OD1-N 2.96Å; F561-F569 HydrophobicContact CE1-CB 4.13Å; F561-F569 HydrophobicContact CE1-CD2 4.32Å; F561-F569 HydrophobicContact CE1-CG 4.1Å; F561-I581 HydrophobicContact CD2-CG2 4.33Å; F561-I581 HydrophobicContact CE1-CG2 4.13Å; F561-I581 HydrophobicContact CE2-CG2 3.71Å; F561-I581 HydrophobicContact CZ-CB 4.46Å; F561-I581 HydrophobicContact CZ-CG2 3.6Å; F561-P583 HydrophobicContact CE2-CB 4.35Å; F561-P583 HydrophobicContact CZ-CB 4.27Å
562G74.1Confident69.3Low29 Ų2973.4 Ų73.430%0.29940%0.4SS..  trans-74.2167.2160.600000112.6D560 F564 N565 S566D560-G562 PolarHBondContact O-N 3.13Å; G562-F564 PolarHBondContact O-N 3.33Å; G562-N565 PolarHBondContact O-N 3.29Å; G562-S566 PolarHBondContact O-N 3.47Å; G562-S566 PolarHBondContact O-OG 3.33Å
563I78.2Confident71.2Confident108 Ų10865.2 Ų65.255%0.55436%0.364SS*.Hα-helixtrans-50.6-45-179.7-63.2170.3000111.7F530 L567F530-I563 HydrophobicContact CD1-CG1 4.07Å; F530-I563 HydrophobicContact CD2-CB 4.38Å; F530-I563 HydrophobicContact CD2-CG1 3.65Å; F530-I563 HydrophobicContact CE1-CD1 4.26Å; F530-I563 HydrophobicContact CE1-CG1 3.85Å; F530-I563 HydrophobicContact CE2-CB 4.46Å; F530-I563 HydrophobicContact CE2-CD1 4.35Å; F530-I563 HydrophobicContact CE2-CG1 3.41Å; F530-I563 VanDerWaalsContact CE2-CG1 3.41Å; F530-I563 HydrophobicContact CG-CG1 3.97Å; F530-I563 HydrophobicContact CZ-CD1 4.01Å; F530-I563 HydrophobicContact CZ-CG1 3.51Å; I563-L567 WeakPolarHBondContact O-CB 3.33Å; I563-L567 PolarHBondContact O-N 2.98Å
564F81.6Confident73.3Confident164 Ų16462.9 Ų62.972%0.71934%0.342SS*.Hα-helixtrans-70.2-34.8178.8-69.5-75.1000112.8G562 L567 W568G562-F564 PolarHBondContact O-N 3.33Å; F564-L567 PolarHBondContact O-N 3.37Å; F564-W568 VanDerWaalsContact O-CB 3.25Å; F564-W568 WeakPolarHBondContact O-CB 3.33Å; F564-W568 PolarHBondContact O-N 2.94Å
565N82.1Confident75.1Confident67 Ų6762.8 Ų62.836%0.35833%0.333SS..Hα-helixtrans-74.1-35.1178.9-65.6-10.2000111.3D560 G562 W568 F569 I581D560-N565 VanDerWaalsContact O-CB 3.3Å; D560-N565 WeakPolarHBondContact O-CB 3.14Å; D560-N565 PolarHBondContact O-ND2 3.34Å; G562-N565 PolarHBondContact O-N 3.29Å; N565-W568 PolarHBondContact O-N 2.86Å; N565-F569 VanDerWaalsContact O-CB 3.28Å; N565-F569 WeakPolarHBondContact O-CB 3.48Å; N565-F569 PolarHBondContact O-N 3.17Å; N565-I581 HydrophobicContact CB-CD1 4.45Å
566S83.6Confident76.7Confident0 Ų063.4 Ų63.40%033%0.325CS..Hα-helixtrans-66.5-40.9171.1-56.60000112G562 F569 S570G562-S566 PolarHBondContact O-N 3.47Å; G562-S566 PolarHBondContact O-OG 3.33Å; S566-F569 PolarHBondContact O-N 3.03Å; S566-S570 PolarHBondContact O-N 3.36Å; S566-S570 PolarHBondContact O-OG 3.16Å; S566-S570 VanDerWaalsContact O-OG 3.11Å
567L87Confident78.4Confident61 Ų6165 Ų6532%0.31933%0.329SS..Hα-helixtrans-61.3-48.6173.3-169.279.6000110.6Y522 I563 F564 F569 S570 L571Y522-L567 HydrophobicContact CE1-CD1 3.67Å; Y522-L567 HydrophobicContact CE1-CG 4.43Å; Y522-L567 HydrophobicContact CE2-CD1 4.36Å; Y522-L567 WeakPolarHBondContact OH-CD1 3.39Å; Y522-L567 VanDerWaalsContact OH-CG 3.24Å; Y522-L567 WeakPolarHBondContact OH-CG 3.3Å; I563-L567 WeakPolarHBondContact O-CB 3.33Å; I563-L567 PolarHBondContact O-N 2.98Å; F564-L567 PolarHBondContact O-N 3.37Å; L567-F569 PolarHBondContact O-N 3Å; L567-S570 WeakPolarHBondContact CA-OG 3.24Å; L567-S570 PolarHBondContact O-N 3.29Å; L567-S570 PolarHBondContact O-OG 3.17Å; L567-L571 PolarHBondContact O-N 2.86Å
568W86.1Confident79.2Confident165 Ų16565.3 Ų65.363%0.62534%0.34SS*.Hα-helixtrans-60.9-43.3177.8-170.6-109.7000112.6F564 N565 L571 G572F564-W568 VanDerWaalsContact O-CB 3.25Å; F564-W568 WeakPolarHBondContact O-CB 3.33Å; F564-W568 PolarHBondContact O-N 2.94Å; N565-W568 PolarHBondContact O-N 2.86Å; W568-L571 HydrophobicContact CE3-CD2 4.5Å; W568-L571 HydrophobicContact CZ3-CD2 4.42Å; W568-L571 PolarHBondContact O-N 3.12Å; W568-G572 PolarHBondContact O-N 3.23Å
569F84.9Confident80Confident14 Ų1463.8 Ų63.86%0.06133%0.331CS..Hα-helixtrans-59.8-47.9174.8177.1-95.8000111.6L529 F561 N565 S566 L567 L571 G572 A573 C579 I581 P583L529-F569 HydrophobicContact CD1-CD1 3.7Å; L529-F569 HydrophobicContact CD1-CE1 3.7Å; L529-F569 HydrophobicContact CD2-CD1 4.34Å; F561-F569 HydrophobicContact CE1-CB 4.13Å; F561-F569 HydrophobicContact CE1-CD2 4.32Å; F561-F569 HydrophobicContact CE1-CG 4.1Å; N565-F569 VanDerWaalsContact O-CB 3.28Å; N565-F569 WeakPolarHBondContact O-CB 3.48Å; N565-F569 PolarHBondContact O-N 3.17Å; S566-F569 PolarHBondContact O-N 3.03Å; L567-F569 PolarHBondContact O-N 3Å; F569-L571 VanDerWaalsContact C-N 3.29Å; F569-L571 PolarHBondContact O-N 2.78Å; F569-G572 PolarHBondContact O-N 3.11Å; F569-A573 VanDerWaalsContact O-CB 3.31Å; F569-A573 WeakPolarHBondContact O-CB 3.48Å; F569-A573 PolarHBondContact O-N 2.77Å; F569-C579 HydrophobicContact CD2-CB 3.91Å; F569-I581 VanDerWaalsContact CD2-O 3.24Å; F569-I581 WeakPolarHBondContact CD2-O 3.43Å; F569-I581 WeakPolarHBondContact CE2-O 3.37Å; F569-P583 HydrophobicContact CZ-CG 4.15Å
570S85.9Confident80.2Confident1 Ų170.6 Ų70.61%0.00737%0.367CS..Hα-helixtrans-64-33.317958.20000113Y522 S526 S566 L567 F574 W595Y522-S570 WeakPolarHBondContact CE2-OG 3.42Å; S526-S570 PolarHBondContact OG-OG 2.63Å; S566-S570 PolarHBondContact O-N 3.36Å; S566-S570 PolarHBondContact O-OG 3.16Å; S566-S570 VanDerWaalsContact O-OG 3.11Å; L567-S570 WeakPolarHBondContact CA-OG 3.24Å; L567-S570 PolarHBondContact O-N 3.29Å; L567-S570 PolarHBondContact O-OG 3.17Å; S570-F574 WeakPolarHBondContact O-CB 3.18Å; S570-F574 PolarHBondContact O-N 2.8Å; S570-F574 VanDerWaalsContact O-N 3.15Å; S570-W595 PolarHBondContact O-NE1 2.88Å
571L87.7Confident80.5Confident57 Ų5769.5 Ų69.530%0.29836%0.361SS..Hα-helixtrans-73.6-45.2176-174.466.1000111.7Y522 L567 W568 F569 A573 F574 M575Y522-L571 HydrophobicContact CE2-CB 3.9Å; Y522-L571 HydrophobicContact CE2-CD1 4.34Å; L567-L571 PolarHBondContact O-N 2.86Å; W568-L571 HydrophobicContact CE3-CD2 4.5Å; W568-L571 HydrophobicContact CZ3-CD2 4.42Å; W568-L571 PolarHBondContact O-N 3.12Å; F569-L571 VanDerWaalsContact C-N 3.29Å; F569-L571 PolarHBondContact O-N 2.78Å; L571-A573 VanDerWaalsContact C-N 3.27Å; L571-A573 PolarHBondContact O-N 3.28Å; L571-F574 CarbonylContact O-C 3.42Å; L571-F574 WeakPolarHBondContact O-CA 3.35Å; L571-F574 WeakPolarHBondContact O-CB 3.49Å; L571-F574 PolarHBondContact O-N 3.33Å; L571-M575 HydrophobicContact CD1-CG 4.47Å; L571-M575 HydrophobicContact CD1-SD 4.45Å; L571-M575 HydrophobicContact CG-SD 4.43Å; L571-M575 PolarHBondContact O-N 3.35Å
572G85.6Confident80.7Confident11 Ų1172.9 Ų72.911%0.11339%0.386CS..Hα-helixtrans-62.1-35.7177.100000112.6W568 F569 Q576 Q577 G578W568-G572 PolarHBondContact O-N 3.23Å; F569-G572 PolarHBondContact O-N 3.11Å; G572-Q576 PolarHBondContact O-N 2.62Å; G572-Q577 PolarHBondContact O-N 2.93Å; G572-G578 PolarHBondContact O-N 2.99Å
573A84.6Confident80.9Confident11 Ų1172 Ų729%0.09138%0.375CS..Hα-helixtrans-67.9-31.817100000113.2F569 L571F569-A573 VanDerWaalsContact O-CB 3.31Å; F569-A573 WeakPolarHBondContact O-CB 3.48Å; F569-A573 PolarHBondContact O-N 2.77Å; L571-A573 VanDerWaalsContact C-N 3.27Å; L571-A573 PolarHBondContact O-N 3.28Å
574F86.9Confident80.6Confident46 Ų4674.2 Ų74.220%0.20238%0.376CS..Hα-helixtrans-75.3-39.9175.5-172.1-92.5000112.2I518 S570 L571 Q576 W595 T599 I603I518-F574 HydrophobicContact CG2-CE2 3.79Å; I518-F574 HydrophobicContact CG2-CZ 3.85Å; S570-F574 WeakPolarHBondContact O-CB 3.18Å; S570-F574 PolarHBondContact O-N 2.8Å; S570-F574 VanDerWaalsContact O-N 3.15Å; L571-F574 CarbonylContact O-C 3.42Å; L571-F574 WeakPolarHBondContact O-CA 3.35Å; L571-F574 WeakPolarHBondContact O-CB 3.49Å; L571-F574 PolarHBondContact O-N 3.33Å; F574-Q576 VanDerWaalsContact C-N 3.27Å; F574-Q576 PolarHBondContact O-N 3.08Å; F574-W595 HydrophobicContact CB-CZ2 4.28Å; F574-W595 HydrophobicContact CD2-CH2 4.38Å; F574-W595 HydrophobicContact CD2-CZ2 4.01Å; F574-T599 HydrophobicContact CB-CG2 4.21Å; F574-T599 HydrophobicContact CD2-CG2 3.61Å; F574-T599 HydrophobicContact CE2-CG2 4.46Å; F574-T599 HydrophobicContact CG-CG2 4.34Å; F574-I603 WeakPolarHBondContact O-CD1 3.4Å
575M84.9Confident80.6Confident108 Ų10866.7 Ų66.753%0.53234%0.344SS..THydrogen-bonded Turntrans-82.94.8-179.1-65-169.172.500114.6L571 Q577L571-M575 HydrophobicContact CD1-CG 4.47Å; L571-M575 HydrophobicContact CD1-SD 4.45Å; L571-M575 HydrophobicContact CG-SD 4.43Å; L571-M575 PolarHBondContact O-N 3.35Å; M575-Q577 HydrophobicContact CB-CG 4.4Å; M575-Q577 PolarHBondContact O-N 3.29Å
576Q80.8Confident80.5Confident136 Ų13669.9 Ų69.964%0.63636%0.36SS*.THydrogen-bonded Turntrans58.521.3-177.8-55.8179.23.600114.9G572 F574 I603G572-Q576 PolarHBondContact O-N 2.62Å; F574-Q576 VanDerWaalsContact C-N 3.27Å; F574-Q576 PolarHBondContact O-N 3.08Å; Q576-I603 HydrophobicContact CG-CD1 3.92Å; Q576-I603 VanDerWaalsContact NE2-CD1 3.29Å
577Q78.9Confident80.4Confident157 Ų15773.1 Ų73.173%0.73438%0.383SS*.  trans-92.8-14.3-179.2-70.3-179.3-600113.1G572 M575G572-Q577 PolarHBondContact O-N 2.93Å; M575-Q577 HydrophobicContact CB-CG 4.4Å; M575-Q577 PolarHBondContact O-N 3.29Å
578G73Confident80.2Confident52 Ų5270.2 Ų70.254%0.53637%0.368SS..  trans77.6175.5-173.500000112.4G572G572-G578 PolarHBondContact O-N 2.99Å
579C74.4Confident80.2Confident39 Ų3969.5 Ų69.526%0.26437%0.365SS..  trans-141.5146174.8-169.70000108.2F569 I581F569-C579 HydrophobicContact CD2-CB 3.91Å; C579-I581 PolarHBondContact O-N 3.09Å
580D68.4Low80.4Confident176 Ų17673.7 Ų73.794%0.94139%0.387SS*.SBendtrans-66.9-17.6177-70.7-30.8000112.7
581I72.2Confident80.5Confident47 Ų4775.2 Ų75.224%0.24140%0.396CS..  trans-107130.4-176.9-47.8168.7000108.6D560 F561 N565 F569 C579D560-I581 HydrophobicContact CB-CG2 4.04Å; F561-I581 HydrophobicContact CD2-CG2 4.33Å; F561-I581 HydrophobicContact CE1-CG2 4.13Å; F561-I581 HydrophobicContact CE2-CG2 3.71Å; F561-I581 HydrophobicContact CZ-CB 4.46Å; F561-I581 HydrophobicContact CZ-CG2 3.6Å; N565-I581 HydrophobicContact CB-CD1 4.45Å; F569-I581 VanDerWaalsContact CD2-O 3.24Å; F569-I581 WeakPolarHBondContact CD2-O 3.43Å; F569-I581 WeakPolarHBondContact CE2-O 3.37Å; C579-I581 PolarHBondContact O-N 3.09Å
582S75.1Confident80.4Confident82 Ų8272.7 Ų72.757%0.57338%0.384SS*.  trans-128.5139.5179620000111.9R584S582-R584 PolarHBondContact O-N 3.5Å
583P77.3Confident80.5Confident10 Ų1073.8 Ų73.87%0.06540%0.396CS..  trans-65.8127.9179.624.9-31.8000110.7F561 F569 R589F561-P583 HydrophobicContact CE2-CB 4.35Å; F561-P583 HydrophobicContact CZ-CB 4.27Å; F569-P583 HydrophobicContact CZ-CG 4.15Å; P583-R589 HydrophobicContact CG-CG 4.39Å; P583-R589 VanDerWaalsContact O-CG 3.25Å; P583-R589 WeakPolarHBondContact O-CG 3.42Å; P583-R589 PolarHBondContact O-NE 3.02Å; P583-R589 VanDerWaalsContact O-NE 3.09Å
584R72.1Confident80.8Confident154 Ų15478.1 Ų78.158%0.58142%0.42SS*.  trans-88.5-31.6179.2-71.2-176.4176.8167-0.1112.3E539 H541 S582E539-R584 HydrophobicContact CG-CB 4.29Å; H541-R584 PolarHBondContact CE1-NH1 3.26Å; H541-R584 PolarHBondContact ND1-NH1 2.94Å; S582-R584 PolarHBondContact O-N 3.5Å
585S80.4Confident81Confident7 Ų776.2 Ų76.25%0.04941%0.412CS..SBendtrans-69147.8-179.171.70000111.8S536 E539 S587 G588 R589S536-S585 WeakPolarHBondContact OG-CB 3.22Å; E539-S585 WeakPolarHBondContact OE1-CB 3.21Å; E539-S585 PolarHBondContact OE1-N 3.45Å; E539-S585 PolarHBondContact OE1-OG 2.81Å; S585-S587 PolarHBondContact O-N 2.82Å; S585-G588 PolarHBondContact O-N 3.13Å; S585-G588 PolarHBondContact OG-N 2.9Å; S585-R589 WeakPolarHBondContact O-CG 3.2Å; S585-R589 PolarHBondContact O-N 3.21Å
586L80.5Confident81.2Confident133 Ų13378.5 Ų78.570%0.69642%0.415SS*.Hα-helixtrans-57.8-41.9174.3-176.466.6000110.9R589 I590L586-R589 PolarHBondContact O-N 3.32Å; L586-I590 HydrophobicContact CG-CD1 4.27Å; L586-I590 WeakPolarHBondContact O-CG1 3.33Å; L586-I590 PolarHBondContact O-N 3.15Å
587S82.7Confident81.6Confident68 Ų6878.6 Ų78.648%0.47641%0.413SS..Hα-helixtrans-64.1-45.1178.9-54.10000112.5S585 R589 I590 V591S585-S587 PolarHBondContact O-N 2.82Å; S587-R589 PolarHBondContact O-N 2.95Å; S587-I590 PolarHBondContact O-N 3.23Å; S587-V591 WeakPolarHBondContact O-CG2 3.49Å; S587-V591 PolarHBondContact O-N 2.72Å; S587-V591 VanDerWaalsContact O-N 3.16Å
588G82.6Confident82.2Confident0 Ų074.4 Ų74.40%039%0.393CS..Hα-helixtrans-65.3-36.7176.700000112.7S585 V591 G592S585-G588 PolarHBondContact O-N 3.13Å; S585-G588 PolarHBondContact OG-N 2.9Å; G588-V591 PolarHBondContact O-N 2.78Å; G588-G592 PolarHBondContact O-N 2.76Å
589R85.8Confident83Confident150 Ų15072.2 Ų72.257%0.56637%0.369SS*.Hα-helixtrans-66.1-36.3174-72.7178.6-177.5-179.31.9113.2P583 S585 L586 S587 G593P583-R589 HydrophobicContact CG-CG 4.39Å; P583-R589 VanDerWaalsContact O-CG 3.25Å; P583-R589 WeakPolarHBondContact O-CG 3.42Å; P583-R589 PolarHBondContact O-NE 3.02Å; P583-R589 VanDerWaalsContact O-NE 3.09Å; S585-R589 WeakPolarHBondContact O-CG 3.2Å; S585-R589 PolarHBondContact O-N 3.21Å; L586-R589 PolarHBondContact O-N 3.32Å; S587-R589 PolarHBondContact O-N 2.95Å; R589-G593 PolarHBondContact O-N 2.89Å
590I88.1Confident83.7Confident103 Ų10375.1 Ų75.153%0.52838%0.381SS..Hα-helixtrans-66-46.2175.4-68.4165.6000110.1L586 S587 G592 G593 V594L586-I590 HydrophobicContact CG-CD1 4.27Å; L586-I590 WeakPolarHBondContact O-CG1 3.33Å; L586-I590 PolarHBondContact O-N 3.15Å; S587-I590 PolarHBondContact O-N 3.23Å; I590-G592 PolarHBondContact O-N 3.2Å; I590-G593 PolarHBondContact O-N 3.11Å; I590-V594 WeakPolarHBondContact O-CG2 3.08Å; I590-V594 PolarHBondContact O-N 3.22Å
591V88Confident84.8Confident32 Ų3270.6 Ų70.619%0.19436%0.356CS..Hα-helixtrans-59.9-47.4176.5175.50000110.8V525 V528 L529 S587 G588 G593 V594 W595V525-V591 HydrophobicContact CG1-CG1 4.29Å; V528-V591 HydrophobicContact CG1-CG1 4.19Å; V528-V591 HydrophobicContact CG1-CG2 4.07Å; L529-V591 HydrophobicContact CB-CG1 4.42Å; L529-V591 HydrophobicContact CD1-CG1 4.34Å; S587-V591 WeakPolarHBondContact O-CG2 3.49Å; S587-V591 PolarHBondContact O-N 2.72Å; S587-V591 VanDerWaalsContact O-N 3.16Å; G588-V591 PolarHBondContact O-N 2.78Å; V591-G593 PolarHBondContact O-N 2.83Å; V591-V594 PolarHBondContact O-N 3.27Å; V591-W595 WeakPolarHBondContact O-CB 3.17Å; V591-W595 PolarHBondContact O-N 3.47Å
592G85.4Confident85.7Confident4 Ų469.8 Ų69.84%0.04135%0.352CS..Hα-helixtrans-62.4-39.417600000113.4G588 I590 W595 W596G588-G592 PolarHBondContact O-N 2.76Å; I590-G592 PolarHBondContact O-N 3.2Å; G592-W595 PolarHBondContact O-N 3.02Å; G592-W596 PolarHBondContact O-N 3.46Å
593G88Confident86.4Confident35 Ų3567.6 Ų67.636%0.36133%0.334SS..Hα-helixtrans-67.2-40.9178.500000113.4R589 I590 V591 W596 F597R589-G593 PolarHBondContact O-N 2.89Å; I590-G593 PolarHBondContact O-N 3.11Å; V591-G593 PolarHBondContact O-N 2.83Å; G593-W596 PolarHBondContact O-N 2.9Å; G593-F597 PolarHBondContact O-N 3.22Å
594V91.1Very high87Confident101 Ų10170 Ų7061%0.61235%0.351SS*.Hα-helixtrans-65.8-41.1173.2174.20000110.6I590 V591 F597 F598I590-V594 WeakPolarHBondContact O-CG2 3.08Å; I590-V594 PolarHBondContact O-N 3.22Å; V591-V594 PolarHBondContact O-N 3.27Å; V594-F597 PolarHBondContact O-N 2.9Å; V594-F598 WeakPolarHBondContact O-CB 3.47Å; V594-F598 PolarHBondContact O-N 3.21Å
595W91.1Very high87.9Confident7 Ų765 Ų653%0.02734%0.34CS..Hα-helixtrans-60.6-46.2174.4-176.9-119.9000111.6A521 Y522 V525 S570 F574 V591 G592 F597 F598 T599A521-W595 HydrophobicContact CB-CZ3 4.25Å; Y522-W595 HydrophobicContact CD2-CZ2 4.24Å; V525-W595 HydrophobicContact CB-CD2 4.32Å; V525-W595 HydrophobicContact CB-CE3 4.1Å; V525-W595 HydrophobicContact CB-CZ3 4.42Å; V525-W595 HydrophobicContact CG1-CB 4.07Å; V525-W595 HydrophobicContact CG1-CD2 3.94Å; V525-W595 HydrophobicContact CG1-CE3 4.17Å; V525-W595 HydrophobicContact CG1-CG 3.91Å; V525-W595 HydrophobicContact CG2-CD2 4.25Å; V525-W595 HydrophobicContact CG2-CE3 3.62Å; V525-W595 HydrophobicContact CG2-CZ3 3.99Å; S570-W595 PolarHBondContact O-NE1 2.88Å; F574-W595 HydrophobicContact CB-CZ2 4.28Å; F574-W595 HydrophobicContact CD2-CH2 4.38Å; F574-W595 HydrophobicContact CD2-CZ2 4.01Å; V591-W595 WeakPolarHBondContact O-CB 3.17Å; V591-W595 PolarHBondContact O-N 3.47Å; G592-W595 PolarHBondContact O-N 3.02Å; W595-F597 VanDerWaalsContact C-N 3.34Å; W595-F597 PolarHBondContact O-N 3.45Å; W595-F598 AromaticContact CE3-CD1 3.7Å; W595-F598 HydrophobicContact CE3-CD1 3.7Å; W595-F598 HydrophobicContact CE3-CE1 4.36Å; W595-F598 HydrophobicContact CE3-CG 4.46Å; W595-F598 HydrophobicContact CH2-CD1 4.17Å; W595-F598 HydrophobicContact CH2-CE1 4.13Å; W595-F598 AromaticContact CZ3-CD1 3.43Å; W595-F598 HydrophobicContact CZ3-CD1 3.43Å; W595-F598 VanDerWaalsContact CZ3-CD1 3.43Å; W595-F598 AromaticContact CZ3-CE1 3.63Å; W595-F598 HydrophobicContact CZ3-CE1 3.63Å; W595-F598 HydrophobicContact CZ3-CG 4.49Å; W595-F598 WeakPolarHBondContact O-CB 3.37Å; W595-F598 PolarHBondContact O-N 3.44Å; W595-F598 VanDerWaalsContact O-N 3.16Å; W595-T599 HydrophobicContact CD2-CG2 3.87Å; W595-T599 HydrophobicContact CE3-CG2 4.39Å; W595-T599 HydrophobicContact CG-CG2 4.28Å; W595-T599 HydrophobicContact CH2-CG2 4.41Å; W595-T599 HydrophobicContact CZ2-CG2 3.86Å; W595-T599 VanDerWaalsContact O-CG2 3.32Å; W595-T599 WeakPolarHBondContact O-CG2 3.28Å; W595-T599 PolarHBondContact O-N 2.89Å; W595-T599 PolarHBondContact O-OG1 2.9Å
596W88.9Confident88.4Confident155 Ų15567.3 Ų67.359%0.58735%0.348SS*.Hα-helixtrans-58.2-42.2175.1-78.6-3.1000113.4G592 G593 F598 T599 L600G592-W596 PolarHBondContact O-N 3.46Å; G593-W596 PolarHBondContact O-N 2.9Å; W596-F598 VanDerWaalsContact C-N 3.34Å; W596-T599 PolarHBondContact O-OG1 2.66Å; W596-L600 VanDerWaalsContact O-CB 3.26Å; W596-L600 WeakPolarHBondContact O-CB 3.38Å; W596-L600 PolarHBondContact O-N 3.4Å
597F90.6Very high88.8Confident138 Ų13864.7 Ų64.761%0.60534%0.337SS*.Hα-helixtrans-65.3-40.9176.6-173.3-109.2000111.6G593 V594 W595 I601G593-F597 PolarHBondContact O-N 3.22Å; V594-F597 PolarHBondContact O-N 2.9Å; W595-F597 VanDerWaalsContact C-N 3.34Å; W595-F597 PolarHBondContact O-N 3.45Å; F597-I601 HydrophobicContact CD1-CD1 3.83Å; F597-I601 HydrophobicContact CE1-CD1 3.37Å; F597-I601 HydrophobicContact CE2-CD1 4.27Å; F597-I601 HydrophobicContact CG-CD1 4.46Å; F597-I601 HydrophobicContact CZ-CD1 3.63Å; F597-I601 HydrophobicContact CZ-CG1 4.48Å; F597-I601 WeakPolarHBondContact O-CG1 3.11Å; F597-I601 PolarHBondContact O-N 2.96Å
598F90.9Very high89Confident69 Ų6964.2 Ų64.230%0.30334%0.338SS..Hα-helixtrans-62.4-48.8175.3175.7-98.6000112.2A521 V594 W595 W596 L600 I601 I602A521-F598 HydrophobicContact CB-CE1 4.45Å; A521-F598 HydrophobicContact CB-CZ 4.43Å; V594-F598 WeakPolarHBondContact O-CB 3.47Å; V594-F598 PolarHBondContact O-N 3.21Å; W595-F598 AromaticContact CE3-CD1 3.7Å; W595-F598 HydrophobicContact CE3-CD1 3.7Å; W595-F598 HydrophobicContact CE3-CE1 4.36Å; W595-F598 HydrophobicContact CE3-CG 4.46Å; W595-F598 HydrophobicContact CH2-CD1 4.17Å; W595-F598 HydrophobicContact CH2-CE1 4.13Å; W595-F598 AromaticContact CZ3-CD1 3.43Å; W595-F598 HydrophobicContact CZ3-CD1 3.43Å; W595-F598 VanDerWaalsContact CZ3-CD1 3.43Å; W595-F598 AromaticContact CZ3-CE1 3.63Å; W595-F598 HydrophobicContact CZ3-CE1 3.63Å; W595-F598 HydrophobicContact CZ3-CG 4.49Å; W595-F598 WeakPolarHBondContact O-CB 3.37Å; W595-F598 PolarHBondContact O-N 3.44Å; W595-F598 VanDerWaalsContact O-N 3.16Å; W596-F598 VanDerWaalsContact C-N 3.34Å; F598-L600 VanDerWaalsContact C-N 3.34Å; F598-L600 PolarHBondContact O-N 2.9Å; F598-I601 PolarHBondContact O-N 3.21Å; F598-I602 HydrophobicContact CD1-CG1 4.36Å; F598-I602 HydrophobicContact CD2-CG1 4.38Å; F598-I602 HydrophobicContact CE1-CG1 3.96Å; F598-I602 HydrophobicContact CE2-CD1 4.2Å; F598-I602 HydrophobicContact CE2-CG1 3.98Å; F598-I602 HydrophobicContact CZ-CD1 4.13Å; F598-I602 HydrophobicContact CZ-CG1 3.75Å; F598-I602 WeakPolarHBondContact O-CG1 3.42Å; F598-I602 PolarHBondContact O-N 3.03Å
599T89.9Confident89.2Confident7 Ų767.6 Ų67.64%0.04336%0.356CS..Hα-helixtrans-65-38.2-179.762.30000112F574 W595 W596 I601 I602 I603F574-T599 HydrophobicContact CB-CG2 4.21Å; F574-T599 HydrophobicContact CD2-CG2 3.61Å; F574-T599 HydrophobicContact CE2-CG2 4.46Å; F574-T599 HydrophobicContact CG-CG2 4.34Å; W595-T599 HydrophobicContact CD2-CG2 3.87Å; W595-T599 HydrophobicContact CE3-CG2 4.39Å; W595-T599 HydrophobicContact CG-CG2 4.28Å; W595-T599 HydrophobicContact CH2-CG2 4.41Å; W595-T599 HydrophobicContact CZ2-CG2 3.86Å; W595-T599 VanDerWaalsContact O-CG2 3.32Å; W595-T599 WeakPolarHBondContact O-CG2 3.28Å; W595-T599 PolarHBondContact O-N 2.89Å; W595-T599 PolarHBondContact O-OG1 2.9Å; W596-T599 PolarHBondContact O-OG1 2.66Å; T599-I601 PolarHBondContact O-N 2.93Å; T599-I602 PolarHBondContact O-N 2.75Å; T599-I603 WeakPolarHBondContact O-CB 3.16Å; T599-I603 WeakPolarHBondContact O-CD1 3.41Å; T599-I603 VanDerWaalsContact O-CG1 3.29Å; T599-I603 WeakPolarHBondContact O-CG1 3.39Å; T599-I603 PolarHBondContact O-N 3.23Å
600L89.3Confident89.1Confident99 Ų9962.7 Ų62.752%0.51834%0.341SS..Hα-helixtrans-58.5-47.3174.7-174158.1000111.7W596 F598 S604W596-L600 VanDerWaalsContact O-CB 3.26Å; W596-L600 WeakPolarHBondContact O-CB 3.38Å; W596-L600 PolarHBondContact O-N 3.4Å; F598-L600 VanDerWaalsContact C-N 3.34Å; F598-L600 PolarHBondContact O-N 2.9Å; L600-S604 VanDerWaalsContact O-CB 3.26Å; L600-S604 WeakPolarHBondContact O-CB 3.36Å; L600-S604 PolarHBondContact O-N 3.45Å; L600-S604 PolarHBondContact O-OG 3.25Å
601I91.3Very high88.8Confident81 Ų8160.5 Ų60.542%0.41534%0.338SS..Hα-helixtrans-63.8-47.4178.5-69171.8000111F597 F598 T599 I603 S604 S605F597-I601 HydrophobicContact CD1-CD1 3.83Å; F597-I601 HydrophobicContact CE1-CD1 3.37Å; F597-I601 HydrophobicContact CE2-CD1 4.27Å; F597-I601 HydrophobicContact CG-CD1 4.46Å; F597-I601 HydrophobicContact CZ-CD1 3.63Å; F597-I601 HydrophobicContact CZ-CG1 4.48Å; F597-I601 WeakPolarHBondContact O-CG1 3.11Å; F597-I601 PolarHBondContact O-N 2.96Å; F598-I601 PolarHBondContact O-N 3.21Å; T599-I601 PolarHBondContact O-N 2.93Å; I601-I603 PolarHBondContact O-N 3.06Å; I601-S604 PolarHBondContact O-N 3.38Å; I601-S605 WeakPolarHBondContact O-CB 3.4Å; I601-S605 PolarHBondContact O-N 3.37Å
602I91.1Very high88.4Confident30 Ų3061.5 Ų61.515%0.15435%0.349CS..Hα-helixtrans-61.7-47.4-177.6-68.9-63.7000111.2I518 F598 T599 S605 Y606I518-I602 HydrophobicContact CD1-CG2 3.86Å; I518-I602 HydrophobicContact CG1-CG2 4.5Å; F598-I602 HydrophobicContact CD1-CG1 4.36Å; F598-I602 HydrophobicContact CD2-CG1 4.38Å; F598-I602 HydrophobicContact CE1-CG1 3.96Å; F598-I602 HydrophobicContact CE2-CD1 4.2Å; F598-I602 HydrophobicContact CE2-CG1 3.98Å; F598-I602 HydrophobicContact CZ-CD1 4.13Å; F598-I602 HydrophobicContact CZ-CG1 3.75Å; F598-I602 WeakPolarHBondContact O-CG1 3.42Å; F598-I602 PolarHBondContact O-N 3.03Å; T599-I602 PolarHBondContact O-N 2.75Å; I602-S605 PolarHBondContact O-N 3.11Å; I602-Y606 WeakPolarHBondContact O-CB 3.47Å; I602-Y606 PolarHBondContact O-N 2.63Å
603I89.8Confident88Confident36 Ų3665.7 Ų65.719%0.18537%0.367CS..Hα-helixtrans-67.9-40.3-178.3-63.7162000110.8F574 Q576 T599 I601 S605 Y606 T607F574-I603 WeakPolarHBondContact O-CD1 3.4Å; Q576-I603 HydrophobicContact CG-CD1 3.92Å; Q576-I603 VanDerWaalsContact NE2-CD1 3.29Å; T599-I603 WeakPolarHBondContact O-CB 3.16Å; T599-I603 WeakPolarHBondContact O-CD1 3.41Å; T599-I603 VanDerWaalsContact O-CG1 3.29Å; T599-I603 WeakPolarHBondContact O-CG1 3.39Å; T599-I603 PolarHBondContact O-N 3.23Å; I601-I603 PolarHBondContact O-N 3.06Å; I603-S605 VanDerWaalsContact C-N 3.32Å; I603-S605 PolarHBondContact O-N 3.35Å; I603-Y606 PolarHBondContact O-N 2.76Å; I603-T607 HydrophobicContact CG2-CG2 4.4Å; I603-T607 WeakPolarHBondContact O-CG2 3.36Å; I603-T607 PolarHBondContact O-N 2.93Å; I603-T607 PolarHBondContact O-OG1 3.09Å
604S88.9Confident87.3Confident60 Ų6068.1 Ų68.142%0.4237%0.371SS..Hα-helixtrans-64-37.8176.3-580000112.1L600 I601 T607 A608L600-S604 VanDerWaalsContact O-CB 3.26Å; L600-S604 WeakPolarHBondContact O-CB 3.36Å; L600-S604 PolarHBondContact O-N 3.45Å; L600-S604 PolarHBondContact O-OG 3.25Å; I601-S604 PolarHBondContact O-N 3.38Å; S604-T607 PolarHBondContact O-OG1 3.2Å; S604-A608 WeakPolarHBondContact O-CB 3.38Å; S604-A608 PolarHBondContact O-N 3.36Å; S604-A608 VanDerWaalsContact O-N 3.1Å
605S90.9Very high86.5Confident51 Ų5168.7 Ų68.736%0.35738%0.375SS..Hα-helixtrans-71-37.8175.3-171.70000112I601 I602 I603 A608 N609I601-S605 WeakPolarHBondContact O-CB 3.4Å; I601-S605 PolarHBondContact O-N 3.37Å; I602-S605 PolarHBondContact O-N 3.11Å; I603-S605 VanDerWaalsContact C-N 3.32Å; I603-S605 PolarHBondContact O-N 3.35Å; S605-A608 PolarHBondContact O-N 2.94Å; S605-N609 WeakPolarHBondContact O-CB 3.48Å; S605-N609 PolarHBondContact O-N 2.88Å
606Y90.8Very high85.3Confident54 Ų5472.2 Ų72.221%0.21240%0.397CS..Hα-helixtrans-63.4-46.4175.9172.9-97.9000111F506 P509 L510 W515 I602 I603 A608 N609 L610F506-Y606 PolarHBondContact O-OH 2.85Å; P509-Y606 HydrophobicContact CB-CD2 4.13Å; P509-Y606 HydrophobicContact CB-CE2 4.07Å; P509-Y606 HydrophobicContact CG-CE2 4.05Å; L510-Y606 HydrophobicContact CD1-CD2 3.93Å; L510-Y606 HydrophobicContact CG-CD2 4.12Å; W515-Y606 HydrophobicContact CZ2-CE2 4.33Å; I602-Y606 WeakPolarHBondContact O-CB 3.47Å; I602-Y606 PolarHBondContact O-N 2.63Å; I603-Y606 PolarHBondContact O-N 2.76Å; Y606-A608 VanDerWaalsContact C-N 3.35Å; Y606-A608 PolarHBondContact O-N 3.25Å; Y606-N609 PolarHBondContact O-N 3.14Å; Y606-L610 HydrophobicContact CE1-CD2 4.04Å; Y606-L610 VanDerWaalsContact O-CB 3.22Å; Y606-L610 WeakPolarHBondContact O-CB 3.14Å; Y606-L610 PolarHBondContact O-N 3.35Å
607T88.7Confident84Confident78 Ų7870.3 Ų70.348%0.47939%0.394SS..Hα-helixtrans-64.6-38.6178.455.40000112I603 S604 A611I603-T607 HydrophobicContact CG2-CG2 4.4Å; I603-T607 WeakPolarHBondContact O-CG2 3.36Å; I603-T607 PolarHBondContact O-N 2.93Å; I603-T607 PolarHBondContact O-OG1 3.09Å; S604-T607 PolarHBondContact O-OG1 3.2Å; T607-A611 WeakPolarHBondContact O-CB 3.11Å; T607-A611 PolarHBondContact O-N 3.3Å; T607-A611 VanDerWaalsContact O-N 3.09Å
608A88.1Confident82.6Confident59 Ų5973.4 Ų73.449%0.48840%0.402SS..Hα-helixtrans-63.8-46.9174.500000112.4S604 S605 Y606 A611 A612S604-A608 WeakPolarHBondContact O-CB 3.38Å; S604-A608 PolarHBondContact O-N 3.36Å; S604-A608 VanDerWaalsContact O-N 3.1Å; S605-A608 PolarHBondContact O-N 2.94Å; Y606-A608 VanDerWaalsContact C-N 3.35Å; Y606-A608 PolarHBondContact O-N 3.25Å; A608-A611 PolarHBondContact O-N 2.9Å; A608-A612 PolarHBondContact O-N 2.77Å; A608-A612 VanDerWaalsContact O-N 3.11Å
609N87.2Confident81.1Confident71 Ų7174.8 Ų74.838%0.3841%0.411SS..Hα-helixtrans-69.7-38179.8-74.8-7.5000112.4P509 S605 Y606 A611 A612 F613P509-N609 HydrophobicContact CB-CB 4.02Å; P509-N609 PolarHBondContact O-ND2 3.34Å; S605-N609 WeakPolarHBondContact O-CB 3.48Å; S605-N609 PolarHBondContact O-N 2.88Å; Y606-N609 PolarHBondContact O-N 3.14Å; N609-A611 VanDerWaalsContact C-N 3.32Å; N609-A611 PolarHBondContact O-N 3.46Å; N609-A612 PolarHBondContact O-N 3.16Å; N609-F613 WeakPolarHBondContact O-CB 3.32Å; N609-F613 PolarHBondContact O-N 2.94Å
610L83.6Confident80.1Confident47 Ų4780.1 Ų80.125%0.24644%0.443CS..Hα-helixtrans-61.2-43175.1179.965.5000110.8P509 Y606 A612 F613 L614P509-L610 HydrophobicContact CB-CB 4.35Å; P509-L610 HydrophobicContact CG-CB 4.03Å; P509-L610 HydrophobicContact CG-CD1 3.69Å; P509-L610 HydrophobicContact CG-CG 4.47Å; Y606-L610 HydrophobicContact CE1-CD2 4.04Å; Y606-L610 VanDerWaalsContact O-CB 3.22Å; Y606-L610 WeakPolarHBondContact O-CB 3.14Å; Y606-L610 PolarHBondContact O-N 3.35Å; L610-A612 VanDerWaalsContact C-N 3.33Å; L610-A612 PolarHBondContact O-N 3.46Å; L610-F613 PolarHBondContact O-N 3.2Å; L610-L614 HydrophobicContact CD1-CD1 4.26Å; L610-L614 HydrophobicContact CD1-CG 4.34Å; L610-L614 HydrophobicContact CG-CD1 4.11Å; L610-L614 WeakPolarHBondContact O-CB 3.42Å; L610-L614 VanDerWaalsContact O-CG 3.31Å; L610-L614 WeakPolarHBondContact O-CG 3.48Å; L610-L614 PolarHBondContact O-N 2.99Å
611A80.5Confident79.2Confident57 Ų5777 Ų7747%0.47143%0.429SS..Hα-helixtrans-62-39.3174.600000112.3T607 A608 N609 T615T607-A611 WeakPolarHBondContact O-CB 3.11Å; T607-A611 PolarHBondContact O-N 3.3Å; T607-A611 VanDerWaalsContact O-N 3.09Å; A608-A611 PolarHBondContact O-N 2.9Å; N609-A611 VanDerWaalsContact C-N 3.32Å; N609-A611 PolarHBondContact O-N 3.46Å; A611-T615 VanDerWaalsContact O-CG2 3.31Å; A611-T615 WeakPolarHBondContact O-CG2 3.41Å; A611-T615 PolarHBondContact O-N 2.91Å; A611-T615 PolarHBondContact O-OG1 2.88Å
612A80.8Confident78.5Confident52 Ų5277.8 Ų77.843%0.4344%0.44SS..Hα-helixtrans-67.5-39.417500000112.4A608 N609 L610 T615 V616A608-A612 PolarHBondContact O-N 2.77Å; A608-A612 VanDerWaalsContact O-N 3.11Å; N609-A612 PolarHBondContact O-N 3.16Å; L610-A612 VanDerWaalsContact C-N 3.33Å; L610-A612 PolarHBondContact O-N 3.46Å; A612-T615 WeakPolarHBondContact CA-OG1 3.24Å; A612-T615 PolarHBondContact O-N 2.81Å; A612-T615 PolarHBondContact O-OG1 2.84Å; A612-V616 PolarHBondContact O-N 2.94Å
613F76.5Confident78.2Confident93 Ų9376.5 Ų76.541%0.40843%0.433SS..Hα-helixtrans-67.2-42.5179.8-162.7-93.5000111.8S505 D508 N609 L610 T615 V616S505-F613 WeakPolarHBondContact OG-CE1 3.4Å; D508-F613 HydrophobicContact CB-CE1 4.29Å; D508-F613 HydrophobicContact CB-CE2 4.07Å; D508-F613 HydrophobicContact CB-CZ 3.82Å; N609-F613 WeakPolarHBondContact O-CB 3.32Å; N609-F613 PolarHBondContact O-N 2.94Å; L610-F613 PolarHBondContact O-N 3.2Å; F613-T615 PolarHBondContact O-N 2.94Å; F613-V616 PolarHBondContact O-N 2.88Å
614L74.4Confident77.9Confident85 Ų8581.3 Ų81.345%0.44546%0.455SS..Hα-helixtrans-67.8-22.2177.5-70.1172.7000113.4L610 T781L610-L614 HydrophobicContact CD1-CD1 4.26Å; L610-L614 HydrophobicContact CD1-CG 4.34Å; L610-L614 HydrophobicContact CG-CD1 4.11Å; L610-L614 WeakPolarHBondContact O-CB 3.42Å; L610-L614 VanDerWaalsContact O-CG 3.31Å; L610-L614 WeakPolarHBondContact O-CG 3.48Å; L610-L614 PolarHBondContact O-N 2.99Å; L614-T781 HydrophobicContact CD2-CG2 4.28Å
615T72.8Confident77.9Confident114 Ų11480.3 Ų80.370%0.69945%0.448SS*.Hα-helixtrans-89.1-20.6178.649.90000113.3A611 A612 F613A611-T615 VanDerWaalsContact O-CG2 3.31Å; A611-T615 WeakPolarHBondContact O-CG2 3.41Å; A611-T615 PolarHBondContact O-N 2.91Å; A611-T615 PolarHBondContact O-OG1 2.88Å; A612-T615 WeakPolarHBondContact CA-OG1 3.24Å; A612-T615 PolarHBondContact O-N 2.81Å; A612-T615 PolarHBondContact O-OG1 2.84Å; F613-T615 PolarHBondContact O-N 2.94Å
616V66.2Low77.8Confident81 Ų8178.1 Ų78.149%0.49143%0.433SS..  trans-123.488.6-173.6-169.70000112.2A612 F613 R618A612-V616 PolarHBondContact O-N 2.94Å; F613-V616 PolarHBondContact O-N 2.88Å; V616-R618 HydrophobicContact CG1-CG 3.75Å; V616-R618 PolarHBondContact O-N 3.34Å
617E62.5Low77.7Confident114 Ų11480.5 Ų80.553%0.53345%0.446SS..  trans-79.994.5165.9-65.7174.8165.800110.3K498K498-E617 WeakPolarHBondContact CD-OE2 3.35Å; K498-E617 IonicContact NZ-OE2 3.73Å; K498-E617 PolarHBondContact NZ-OE2 3.27Å
618R59.7Low77.8Confident203 Ų20379.3 Ų79.377%0.76644%0.437SS*.PPolyproline II helixtrans-78.2133.1173.8-64.6-167.8177175.8-0.2110.9V616V616-R618 HydrophobicContact CG1-CG 3.75Å; V616-R618 PolarHBondContact O-N 3.34Å
619M60.9Low77.8Confident98 Ų9876.5 Ų76.548%0.48341%0.414SS..PPolyproline II helixtrans-77.1125.1167.1-62.2-177.6-161.600108.7K498K498-M619 HydrophobicContact CG-CE 4.19Å
620V68.9Low78Confident120 Ų12073.6 Ų73.673%0.72740%0.399SS*.PPolyproline II helixtrans-100.3121.4173.5-174.50000108.5
621S70.7Confident78.3Confident33 Ų3378.3 Ų78.323%0.23142%0.418CS..PPolyproline II helixtrans-86131.8172.952.10000110.2I623S621-I623 PolarHBondContact O-N 2.92Å
622P75.9Confident78.7Confident97 Ų9777.9 Ų77.963%0.6341%0.406SS*.SBendtrans-73.2-13.7179.528.8-34.7000113.9
623I83.5Confident79.1Confident4 Ų481.1 Ų81.12%0.02142%0.42CS..  trans-136.7132-178.1-63159.9000108.4S621 S625 D628 L629 I635S621-I623 PolarHBondContact O-N 2.92Å; I623-S625 WeakPolarHBondContact CG2-O 3.31Å; I623-D628 HydrophobicContact CG2-CB 4.28Å; I623-L629 HydrophobicContact CD1-CD2 3.47Å; I623-L629 VanDerWaalsContact CD1-CD2 3.47Å; I623-L629 HydrophobicContact CD1-CG 4.14Å; I623-L629 HydrophobicContact CG1-CD2 4.38Å; I623-L629 HydrophobicContact CG2-CG 4.02Å; I623-I635 HydrophobicContact CD1-CB 4.28Å; I623-I635 HydrophobicContact CD1-CD1 3.37Å; I623-I635 HydrophobicContact CD1-CG1 4.39Å; I623-I635 HydrophobicContact CD1-CG2 3.99Å; I623-I635 HydrophobicContact CG1-CD1 4.03Å
624E85Confident79.7Confident137 Ų13783 Ų8364%0.6443%0.431SS*.  trans-114.8-26.4173.4-63.5-173.7171.500112.3D628 G714E624-D628 PolarHBondContact N-OD2 2.94Å; E624-G714 WeakPolarHBondContact O-CA 3.35Å; E624-G714 PolarHBondContact O-N 3.12Å
625S89Confident80.5Confident38 Ų3879.8 Ų79.827%0.26641%0.414SS..SBendtrans-135.1164.7-174.474.70000114I623 E627 D628I623-S625 WeakPolarHBondContact CG2-O 3.31Å; S625-E627 PolarHBondContact O-N 3.39Å; S625-E627 PolarHBondContact OG-N 3.49Å; S625-D628 PolarHBondContact N-OD2 3.42Å; S625-D628 PolarHBondContact O-N 2.82Å; S625-D628 PolarHBondContact OG-N 3.49Å; S625-D628 PolarHBondContact OG-OD1 2.92Å; S625-D628 PolarHBondContact OG-OD2 3.37Å
626A87.8Confident81.5Confident6 Ų675.5 Ų75.55%0.0539%0.389CS..Hα-helixtrans-67.5-24.1170.900000113I491 D628 L629 A630 Y657 M660 L717I491-A626 HydrophobicContact CD1-CB 4.14Å; A626-D628 VanDerWaalsContact C-N 3.32Å; A626-L629 WeakPolarHBondContact O-CB 3.19Å; A626-L629 PolarHBondContact O-N 2.95Å; A626-A630 PolarHBondContact O-N 3.19Å; A626-A630 VanDerWaalsContact O-N 3.11Å; A626-Y657 HydrophobicContact CB-CE1 4.41Å; A626-M660 HydrophobicContact CB-CE 4.49Å; A626-M660 HydrophobicContact CB-SD 4.15Å; A626-L717 HydrophobicContact CB-CD1 4.36Å; A626-L717 HydrophobicContact CB-CD2 3.39Å
627E89.7Confident82.9Confident103 Ų10371.9 Ų71.948%0.48137%0.367SS..Hα-helixtrans-66.2-38.8175.9-63.3-173.7-177.600111.3S625 L629 A630 K631 V656S625-E627 PolarHBondContact O-N 3.39Å; S625-E627 PolarHBondContact OG-N 3.49Å; E627-L629 VanDerWaalsContact C-N 3.32Å; E627-L629 PolarHBondContact O-N 2.84Å; E627-A630 PolarHBondContact O-N 2.9Å; E627-A630 VanDerWaalsContact O-N 3.1Å; E627-K631 WeakPolarHBondContact O-CG 3.32Å; E627-K631 PolarHBondContact O-N 2.9Å; E627-K631 IonicContact OE2-NZ 2.72Å; E627-V656 HydrophobicContact CG-CG1 4.16Å; E627-V656 HydrophobicContact CG-CG2 4.33Å
628D90Very high84.4Confident54 Ų5466.4 Ų66.429%0.28934%0.342SS..Hα-helixtrans-61.7-44.9177.3-55.3-36.7000109.9I623 E624 S625 A626 A630 K631 Q632I623-D628 HydrophobicContact CG2-CB 4.28Å; E624-D628 PolarHBondContact N-OD2 2.94Å; S625-D628 PolarHBondContact N-OD2 3.42Å; S625-D628 PolarHBondContact O-N 2.82Å; S625-D628 PolarHBondContact OG-N 3.49Å; S625-D628 PolarHBondContact OG-OD1 2.92Å; S625-D628 PolarHBondContact OG-OD2 3.37Å; A626-D628 VanDerWaalsContact C-N 3.32Å; D628-A630 VanDerWaalsContact C-N 3.26Å; D628-A630 PolarHBondContact O-N 3.14Å; D628-K631 PolarHBondContact O-N 3.32Å; D628-K631 VanDerWaalsContact O-N 3.14Å; D628-Q632 WeakPolarHBondContact O-CG 3.43Å; D628-Q632 PolarHBondContact O-N 2.85Å
629L89.3Confident86.1Confident0 Ų056.8 Ų56.80%031%0.305CS..Hα-helixtrans-57.1-37.9173.6-77.3171.6000112.8I491 I623 A626 E627 Q632 I635 Y637 M660 A691I491-L629 HydrophobicContact CD1-CD1 3.99Å; I491-L629 HydrophobicContact CG1-CD1 4.29Å; I491-L629 HydrophobicContact CG2-CD1 3.93Å; I623-L629 HydrophobicContact CD1-CD2 3.47Å; I623-L629 VanDerWaalsContact CD1-CD2 3.47Å; I623-L629 HydrophobicContact CD1-CG 4.14Å; I623-L629 HydrophobicContact CG1-CD2 4.38Å; I623-L629 HydrophobicContact CG2-CG 4.02Å; A626-L629 WeakPolarHBondContact O-CB 3.19Å; A626-L629 PolarHBondContact O-N 2.95Å; E627-L629 VanDerWaalsContact C-N 3.32Å; E627-L629 PolarHBondContact O-N 2.84Å; L629-Q632 PolarHBondContact O-NE2 3.43Å; L629-Q632 VanDerWaalsContact O-O 3.06Å; L629-I635 HydrophobicContact CD2-CG2 4.16Å; L629-Y637 HydrophobicContact CB-CD1 4.1Å; L629-Y637 HydrophobicContact CB-CE1 4.17Å; L629-Y637 HydrophobicContact CD2-CD1 3.98Å; L629-Y637 VanDerWaalsContact O-CE1 3.23Å; L629-Y637 WeakPolarHBondContact O-CE1 3.02Å; L629-M660 HydrophobicContact CB-CE 4.49Å; L629-A691 HydrophobicContact CD1-CB 4.37Å; L629-A691 HydrophobicContact CD2-CB 4.09Å
630A90.8Very high87.5Confident9 Ų953.4 Ų53.47%0.07429%0.289CS..Hα-helixtrans-78.5-20.2-179.800000113.9A626 E627 D628 V656 K659 M660A626-A630 PolarHBondContact O-N 3.19Å; A626-A630 VanDerWaalsContact O-N 3.11Å; E627-A630 PolarHBondContact O-N 2.9Å; E627-A630 VanDerWaalsContact O-N 3.1Å; D628-A630 VanDerWaalsContact C-N 3.26Å; D628-A630 PolarHBondContact O-N 3.14Å; A630-V656 HydrophobicContact CB-CG1 4.01Å; A630-K659 WeakPolarHBondContact O-CE 3.42Å; A630-K659 PolarHBondContact O-NZ 2.99Å; A630-M660 HydrophobicContact CB-CG 3.81Å
631K90.4Very high88.3Confident147 Ų14750.8 Ų50.864%0.63927%0.271SS*.Hα-helixtrans-82.9-34.5177.3-73.9169.3-171.1163.70112.1E627 D628E627-K631 WeakPolarHBondContact O-CG 3.32Å; E627-K631 PolarHBondContact O-N 2.9Å; E627-K631 IonicContact OE2-NZ 2.72Å; D628-K631 PolarHBondContact O-N 3.32Å; D628-K631 VanDerWaalsContact O-N 3.14Å
632Q88.9Confident88.7Confident48 Ų4851.2 Ų51.222%0.22427%0.274CS..  trans-101.1164.5-177.167.480.245.500113D628 L629 I635D628-Q632 WeakPolarHBondContact O-CG 3.43Å; D628-Q632 PolarHBondContact O-N 2.85Å; L629-Q632 PolarHBondContact O-NE2 3.43Å; L629-Q632 VanDerWaalsContact O-O 3.06Å; Q632-I635 PolarHBondContact NE2-O 3.4Å
633T87.8Confident88.9Confident119 Ų11947.2 Ų47.273%0.7325%0.25SC*.SBendtrans-127.80.9178.257.40000114
634E89Confident89.1Confident134 Ų13448 Ų4863%0.62626%0.256SS*.SBendtrans-76.9-35.1-176.3-172.7176.9-166.300112.7K689E634-K689 HydrophobicContact CG-CD 4.17Å; E634-K689 IonicContact OE1-NZ 3.72Å; E634-K689 PolarHBondContact OE1-NZ 3.41Å
635I91.7Very high89.4Confident17 Ų1741.9 Ų41.99%0.08723%0.228CC..SBendtrans-103107.4178.2-57.7175.7000107.1I623 L629 Q632 K689 A691I623-I635 HydrophobicContact CD1-CB 4.28Å; I623-I635 HydrophobicContact CD1-CD1 3.37Å; I623-I635 HydrophobicContact CD1-CG1 4.39Å; I623-I635 HydrophobicContact CD1-CG2 3.99Å; I623-I635 HydrophobicContact CG1-CD1 4.03Å; L629-I635 HydrophobicContact CD2-CG2 4.16Å; Q632-I635 PolarHBondContact NE2-O 3.4Å; I635-K689 WeakPolarHBondContact CA-O 3.39Å; I635-A691 HydrophobicContact CG2-CB 4.18Å
636A94.1Very high89.5Confident23 Ų2342.4 Ų42.419%0.1923%0.225CC..EExtended strand (participates in β ladder)trans-70.4151.1175.400000110.6Y663 K689 F690 A691A636-Y663 WeakPolarHBondContact CA-OH 3.48Å; A636-Y663 WeakPolarHBondContact CB-OH 3.44Å; A636-K689 PolarHBondContact N-O 3.44Å; A636-F690 HydrophobicContact CB-CD2 3.95Å; A636-F690 CarbonylContact O-C 3.6Å; A636-F690 WeakPolarHBondContact O-CA 3.42Å; A636-F690 WeakPolarHBondContact O-CD2 3.49Å; A636-A691 PolarHBondContact O-N 3.29Å
637Y94.9Very high89.5Confident5 Ų545 Ų452%0.0224%0.236CC..EExtended strand (participates in β ladder)trans-140.9148.1177.553.4-90.7000112.1L629 M660 Y663 M664 V671 A691 L693L629-Y637 HydrophobicContact CB-CD1 4.1Å; L629-Y637 HydrophobicContact CB-CE1 4.17Å; L629-Y637 HydrophobicContact CD2-CD1 3.98Å; L629-Y637 VanDerWaalsContact O-CE1 3.23Å; L629-Y637 WeakPolarHBondContact O-CE1 3.02Å; Y637-M660 HydrophobicContact CD2-CE 3.74Å; Y637-M660 HydrophobicContact CE2-CB 3.79Å; Y637-M660 HydrophobicContact CE2-CE 3.59Å; Y637-M660 HydrophobicContact CE2-CG 3.89Å; Y637-M660 HydrophobicContact CG-CE 4.44Å; Y637-M660 WeakPolarHBondContact OH-CA 3.38Å; Y637-Y663 HydrophobicContact CD1-CD1 4.37Å; Y637-Y663 HydrophobicContact CD1-CE1 4.03Å; Y637-Y663 HydrophobicContact CD2-CD1 4.19Å; Y637-Y663 HydrophobicContact CD2-CE1 4.33Å; Y637-Y663 AromaticContact CE1-CD1 3.76Å; Y637-Y663 HydrophobicContact CE1-CD1 3.76Å; Y637-Y663 AromaticContact CE1-CE1 3.77Å; Y637-Y663 HydrophobicContact CE1-CE1 3.77Å; Y637-Y663 HydrophobicContact CE1-CG 4.46Å; Y637-Y663 AromaticContact CE2-CD1 3.54Å; Y637-Y663 HydrophobicContact CE2-CD1 3.54Å; Y637-Y663 HydrophobicContact CE2-CE1 4.09Å; Y637-Y663 HydrophobicContact CE2-CG 4.46Å; Y637-Y663 HydrophobicContact CG-CE1 4.31Å; Y637-Y663 AromaticContact CZ-CD1 3.3Å; Y637-Y663 AromaticContact CZ-CE1 3.81Å; Y637-Y663 AromaticContact CZ-CG 3.95Å; Y637-Y663 WeakPolarHBondContact OH-CD1 3.43Å; Y637-M664 HydrophobicContact CD2-CG 4.03Å; Y637-M664 HydrophobicContact CD2-SD 4.29Å; Y637-M664 HydrophobicContact CE2-CG 3.98Å; Y637-V671 WeakPolarHBondContact O-CB 3.37Å; Y637-V671 WeakPolarHBondContact O-CG2 3.36Å; Y637-A691 VanDerWaalsContact CA-O 3.23Å; Y637-A691 WeakPolarHBondContact CA-O 3.5Å; Y637-L693 HydrophobicContact CD2-CD1 4.45Å
638G94.9Very high89.6Confident0 Ų042.7 Ų42.70%023%0.225CC..EExtended strand (participates in β ladder)trans-160.8174.7-177.400000113.9A691 F692 L693G638-A691 PolarHBondContact N-O 2.89Å; G638-F692 WeakPolarHBondContact O-CD2 3.29Å; G638-L693 PolarHBondContact O-N 3.32Å
639T94.8Very high89.8Confident0 Ų040.1 Ų40.10%021%0.211CC..  trans-127.9175.6-174.976.80000111.6T645 F649 M664 F672 V673 L693T639-T645 HydrophobicContact CG2-CG2 3.97Å; T639-F649 HydrophobicContact CG2-CD2 4.15Å; T639-F649 HydrophobicContact CG2-CE2 4.26Å; T639-M664 HydrophobicContact CG2-SD 3.85Å; T639-F672 WeakPolarHBondContact O-CA 3.45Å; T639-V673 PolarHBondContact O-N 3.05Å; T639-V673 VanDerWaalsContact O-N 3.09Å; T639-L693 HydrophobicContact CG2-CB 3.98Å; T639-L693 HydrophobicContact CG2-CD1 4.05Å
640L90.9Very high89.8Confident28 Ų2847.2 Ų47.215%0.14724%0.238CC..BIsolated β-bridgetrans-65.7139.6167.3-166.373.4000111.2Y439 V673 K674Y439-L640 HydrophobicContact CE2-CD2 4.08Å; L640-V673 CarbonylContact C-O 3.21Å; L640-V673 WeakPolarHBondContact CA-O 3.18Å; L640-V673 HydrophobicContact CD1-CG2 4.3Å; L640-K674 WeakPolarHBondContact CD1-O 3.4Å
641D85Confident89.8Confident65 Ų6554 Ų5435%0.34826%0.262SS..THydrogen-bonded Turntrans-70.1-35.2-172.7-170.938.5000114.1K646 F672 V673D641-K646 WeakPolarHBondContact O-CD 3.27Å; D641-K646 PolarHBondContact O-NZ 3.38Å; D641-K646 IonicContact OD1-NZ 2.76Å; D641-K646 PolarHBondContact OD1-NZ 3.06Å; D641-F672 HydrophobicContact CB-CB 4.29Å; D641-V673 WeakPolarHBondContact CB-O 3.45Å; D641-V673 PolarHBondContact N-O 2.59Å
642S78.6Confident89.9Confident42 Ų4248 Ų4829%0.29424%0.238SC..THydrogen-bonded Turntrans-110.229.5177.3-63.10000112.7
643G81.1Confident90.1Very high12 Ų1255.1 Ų55.112%0.12427%0.268CS..SBendtrans-97.5155.6-176.500000114.7T645 K646G643-T645 PolarHBondContact O-N 2.77Å; G643-K646 PolarHBondContact O-N 3.24Å
644S87.3Confident90.3Very high20 Ų2054 Ų5414%0.1426%0.257CS..Hα-helixtrans-60.8-32.1172.357.70000112.1T469 K646 E647 F648T469-S644 PolarHBondContact OG1-OG 2.95Å; S644-K646 PolarHBondContact O-N 2.92Å; S644-E647 PolarHBondContact O-N 2.91Å; S644-F648 WeakPolarHBondContact O-CB 3.43Å; S644-F648 PolarHBondContact O-N 3.17Å
645T91.5Very high90.5Very high10 Ų1051.2 Ų51.26%0.06126%0.257CS..Hα-helixtrans-61.5-39176.1-52.20000112.8I489 T639 G643 F648 F649I489-T645 HydrophobicContact CD1-CG2 3.84Å; I489-T645 HydrophobicContact CG1-CG2 3.91Å; I489-T645 HydrophobicContact CG2-CG2 3.82Å; T639-T645 HydrophobicContact CG2-CG2 3.97Å; G643-T645 PolarHBondContact O-N 2.77Å; T645-F648 WeakPolarHBondContact O-CB 3.39Å; T645-F648 PolarHBondContact O-N 2.87Å; T645-F649 HydrophobicContact CG2-CD2 4.03Å; T645-F649 HydrophobicContact CG2-CE2 3.7Å; T645-F649 WeakPolarHBondContact O-CD2 3.27Å; T645-F649 PolarHBondContact O-N 2.88Å; T645-F649 VanDerWaalsContact O-N 3.15Å
646K90.9Very high90.7Very high48 Ų4852.5 Ų52.521%0.20927%0.266CS..Hα-helixtrans-64.3-47177.3-174.8-175.9177.6-176.20111.2D641 G643 S644 F648 F649 R650 W661 F672D641-K646 WeakPolarHBondContact O-CD 3.27Å; D641-K646 PolarHBondContact O-NZ 3.38Å; D641-K646 IonicContact OD1-NZ 2.76Å; D641-K646 PolarHBondContact OD1-NZ 3.06Å; G643-K646 PolarHBondContact O-N 3.24Å; S644-K646 PolarHBondContact O-N 2.92Å; K646-F648 VanDerWaalsContact C-N 3.3Å; K646-F648 PolarHBondContact O-N 2.94Å; K646-F649 PolarHBondContact O-N 3.42Å; K646-R650 PolarHBondContact O-N 2.64Å; K646-W661 HydrophobicContact CG-CH2 4.06Å; K646-W661 HydrophobicContact CG-CZ3 3.8Å; K646-F672 HydrophobicContact CD-CD1 4.22Å; K646-F672 HydrophobicContact CD-CE1 4.14Å; K646-F672 HydrophobicContact CG-CD1 4.38Å; K646-F672 HydrophobicContact CG-CE1 3.91Å
647E88.6Confident90.7Very high60 Ų6052.8 Ų52.828%0.2826%0.262SS..Hα-helixtrans-68.4-31.4178.6-168.463.6-166.900111.8S644 R650 R651S644-E647 PolarHBondContact O-N 2.91Å; E647-R650 PolarHBondContact O-N 3.05Å; E647-R650 WeakPolarHBondContact OE2-CD 3.29Å; E647-R650 IonicContact OE2-NH1 3.88Å; E647-R651 HydrophobicContact CG-CG 4.48Å; E647-R651 WeakPolarHBondContact O-CG 3.44Å; E647-R651 PolarHBondContact O-N 3.13Å; E647-R651 IonicContact OE1-CZ 3.75Å; E647-R651 IonicContact OE1-NE 2.57Å; E647-R651 PolarHBondContact OE1-NE 3.41Å; E647-R651 IonicContact OE1-NH2 3.46Å; E647-R651 PolarHBondContact OE1-NH2 2.75Å
648F92.1Very high90.7Very high55 Ų5557.7 Ų57.724%0.24129%0.285CS..Hα-helixtrans-58-52.1171.6170.3-92.8000111.4I489 S644 T645 K646 R650 R651 S652 Y657 D718I489-F648 HydrophobicContact CD1-CB 4.47Å; I489-F648 HydrophobicContact CD1-CD1 3.36Å; I489-F648 HydrophobicContact CD1-CE1 3.58Å; I489-F648 HydrophobicContact CD1-CG 3.88Å; I489-F648 HydrophobicContact CD1-CZ 4.25Å; S644-F648 WeakPolarHBondContact O-CB 3.43Å; S644-F648 PolarHBondContact O-N 3.17Å; T645-F648 WeakPolarHBondContact O-CB 3.39Å; T645-F648 PolarHBondContact O-N 2.87Å; K646-F648 VanDerWaalsContact C-N 3.3Å; K646-F648 PolarHBondContact O-N 2.94Å; F648-R650 VanDerWaalsContact C-N 3.32Å; F648-R650 PolarHBondContact O-N 2.71Å; F648-R651 PolarHBondContact O-N 3.35Å; F648-S652 WeakPolarHBondContact O-CB 3.26Å; F648-S652 PolarHBondContact O-N 2.89Å; F648-Y657 HydrophobicContact CE1-CD2 4.13Å; F648-Y657 HydrophobicContact CE1-CE2 4.27Å; F648-Y657 HydrophobicContact CZ-CD2 4.22Å; F648-Y657 HydrophobicContact CZ-CE2 4.15Å; F648-D718 HydrophobicContact CE2-CB 4.35Å; F648-D718 HydrophobicContact CZ-CB 4.33Å
649F92.8Very high90.6Very high1 Ų163.3 Ų63.30%0.00431%0.31CS..Hα-helixtrans-64.8-36.4177.7-76-70.9000112.4I489 T639 T645 K646 R651 S652 Y657 M660 W661 M664 L693 L717I489-F649 HydrophobicContact CD1-CE2 4.35Å; T639-F649 HydrophobicContact CG2-CD2 4.15Å; T639-F649 HydrophobicContact CG2-CE2 4.26Å; T645-F649 HydrophobicContact CG2-CD2 4.03Å; T645-F649 HydrophobicContact CG2-CE2 3.7Å; T645-F649 WeakPolarHBondContact O-CD2 3.27Å; T645-F649 PolarHBondContact O-N 2.88Å; T645-F649 VanDerWaalsContact O-N 3.15Å; K646-F649 PolarHBondContact O-N 3.42Å; F649-R651 VanDerWaalsContact C-N 3.33Å; F649-R651 PolarHBondContact O-N 3.01Å; F649-S652 PolarHBondContact O-N 3.47Å; F649-Y657 HydrophobicContact CD1-CD1 4.48Å; F649-Y657 HydrophobicContact CD1-CG 4.3Å; F649-Y657 AromaticContact CE1-CD1 3.77Å; F649-Y657 HydrophobicContact CE1-CD1 3.77Å; F649-Y657 HydrophobicContact CE1-CE1 4.45Å; F649-Y657 AromaticContact CE1-CG 3.97Å; F649-Y657 HydrophobicContact CE1-CG 3.97Å; F649-M660 HydrophobicContact CE1-SD 4.25Å; F649-W661 HydrophobicContact CB-CB 4.25Å; F649-W661 HydrophobicContact CB-CD2 4.47Å; F649-W661 HydrophobicContact CB-CE3 3.85Å; F649-M664 HydrophobicContact CB-CE 3.8Å; F649-M664 HydrophobicContact CD1-CE 4.07Å; F649-M664 HydrophobicContact CD2-CE 3.83Å; F649-M664 HydrophobicContact CE2-CE 4.46Å; F649-M664 HydrophobicContact CG-CE 3.63Å; F649-L693 HydrophobicContact CE2-CD1 3.68Å; F649-L693 HydrophobicContact CZ-CD1 3.79Å; F649-L717 HydrophobicContact CZ-CD1 4.44Å
650R90.8Very high90.6Very high149 Ų14963.3 Ų63.356%0.56231%0.31SS*.Hα-helixtrans-62.3-35.9176.3-173.2-177.8-175.2-177.43.1113.7K646 E647 F648 W661K646-R650 PolarHBondContact O-N 2.64Å; E647-R650 PolarHBondContact O-N 3.05Å; E647-R650 WeakPolarHBondContact OE2-CD 3.29Å; E647-R650 IonicContact OE2-NH1 3.88Å; F648-R650 VanDerWaalsContact C-N 3.32Å; F648-R650 PolarHBondContact O-N 2.71Å; R650-W661 HydrophobicContact CB-CD2 4.15Å; R650-W661 HydrophobicContact CB-CE3 4.38Å; R650-W661 HydrophobicContact CB-CH2 3.92Å; R650-W661 HydrophobicContact CB-CZ2 3.64Å; R650-W661 HydrophobicContact CB-CZ3 4.28Å; R650-W661 HydrophobicContact CG-CH2 4.25Å; R650-W661 HydrophobicContact CG-CZ2 3.58Å
651R90.2Very high90.8Very high151 Ų15163.9 Ų63.957%0.5731%0.31SS*.Hα-helixtrans-98.4-6.7-178-66.3-173-176.7-153.10.5113.9V473 E647 F648 F649V473-R651 VanDerWaalsContact CG1-NH1 3.27Å; E647-R651 HydrophobicContact CG-CG 4.48Å; E647-R651 WeakPolarHBondContact O-CG 3.44Å; E647-R651 PolarHBondContact O-N 3.13Å; E647-R651 IonicContact OE1-CZ 3.75Å; E647-R651 IonicContact OE1-NE 2.57Å; E647-R651 PolarHBondContact OE1-NE 3.41Å; E647-R651 IonicContact OE1-NH2 3.46Å; E647-R651 PolarHBondContact OE1-NH2 2.75Å; F648-R651 PolarHBondContact O-N 3.35Å; F649-R651 VanDerWaalsContact C-N 3.33Å; F649-R651 PolarHBondContact O-N 3.01Å
652S92.6Very high91.2Very high21 Ų2163.9 Ų63.915%0.14732%0.315CS..  trans-64.8139.5-175.7-166.50000111F648 F649 Y657F648-S652 WeakPolarHBondContact O-CB 3.26Å; F648-S652 PolarHBondContact O-N 2.89Å; F649-S652 PolarHBondContact O-N 3.47Å; S652-Y657 WeakPolarHBondContact OG-CB 3.41Å; S652-Y657 WeakPolarHBondContact OG-CD2 2.91Å
653K92.4Very high92Very high197 Ų19764.6 Ų64.686%0.85731%0.312SS*.  trans-104.43.1176.6-61.5-171.6178.2-175.20113.1
654I93.4Very high92.7Very high95 Ų9564.1 Ų64.149%0.48731%0.306SS..SBendtrans-83.8125.4179.7-62.4170.8000107.8V656 Y657 E658I654-V656 VanDerWaalsContact C-N 3.27Å; I654-V656 PolarHBondContact O-N 3.38Å; I654-V656 VanDerWaalsContact O-N 3.14Å; I654-Y657 HydrophobicContact CB-CD2 3.78Å; I654-Y657 HydrophobicContact CB-CE2 4.42Å; I654-Y657 HydrophobicContact CB-CG 4.31Å; I654-Y657 HydrophobicContact CD1-CD2 3.78Å; I654-Y657 HydrophobicContact CD1-CE2 3.7Å; I654-Y657 HydrophobicContact CG1-CD2 4.29Å; I654-Y657 HydrophobicContact CG2-CD2 4.11Å; I654-Y657 HydrophobicContact CG2-CE2 4.45Å; I654-Y657 HydrophobicContact CG2-CG 4.45Å; I654-Y657 PolarHBondContact O-N 3.5Å; I654-E658 PolarHBondContact O-N 3.47Å
655A93Very high93Very high77 Ų7771 Ų7164%0.63633%0.334SS*.Hα-helixtrans-53.4-39.5-172.500000113.9E658 K659A655-E658 PolarHBondContact O-N 3.06Å; A655-K659 WeakPolarHBondContact O-CB 3.38Å; A655-K659 PolarHBondContact O-N 3.2Å
656V94.3Very high93Very high43 Ų4374.6 Ų74.626%0.26136%0.359SS..Hα-helixtrans-61.2-47.2176.3-1800000111E627 A630 I654 K659 M660E627-V656 HydrophobicContact CG-CG1 4.16Å; E627-V656 HydrophobicContact CG-CG2 4.33Å; A630-V656 HydrophobicContact CB-CG1 4.01Å; I654-V656 VanDerWaalsContact C-N 3.27Å; I654-V656 PolarHBondContact O-N 3.38Å; I654-V656 VanDerWaalsContact O-N 3.14Å; V656-K659 PolarHBondContact O-N 2.9Å; V656-M660 WeakPolarHBondContact O-CG 2.99Å; V656-M660 PolarHBondContact O-N 3.49Å
657Y94.8Very high93.1Very high29 Ų2973.1 Ų73.111%0.11436%0.356CS..Hα-helixtrans-73.4-32-178.1-62-23.8000112.8A626 F648 F649 S652 I654 M660 W661 L717A626-Y657 HydrophobicContact CB-CE1 4.41Å; F648-Y657 HydrophobicContact CE1-CD2 4.13Å; F648-Y657 HydrophobicContact CE1-CE2 4.27Å; F648-Y657 HydrophobicContact CZ-CD2 4.22Å; F648-Y657 HydrophobicContact CZ-CE2 4.15Å; F649-Y657 HydrophobicContact CD1-CD1 4.48Å; F649-Y657 HydrophobicContact CD1-CG 4.3Å; F649-Y657 AromaticContact CE1-CD1 3.77Å; F649-Y657 HydrophobicContact CE1-CD1 3.77Å; F649-Y657 HydrophobicContact CE1-CE1 4.45Å; F649-Y657 AromaticContact CE1-CG 3.97Å; F649-Y657 HydrophobicContact CE1-CG 3.97Å; S652-Y657 WeakPolarHBondContact OG-CB 3.41Å; S652-Y657 WeakPolarHBondContact OG-CD2 2.91Å; I654-Y657 HydrophobicContact CB-CD2 3.78Å; I654-Y657 HydrophobicContact CB-CE2 4.42Å; I654-Y657 HydrophobicContact CB-CG 4.31Å; I654-Y657 HydrophobicContact CD1-CD2 3.78Å; I654-Y657 HydrophobicContact CD1-CE2 3.7Å; I654-Y657 HydrophobicContact CG1-CD2 4.29Å; I654-Y657 HydrophobicContact CG2-CD2 4.11Å; I654-Y657 HydrophobicContact CG2-CE2 4.45Å; I654-Y657 HydrophobicContact CG2-CG 4.45Å; I654-Y657 PolarHBondContact O-N 3.5Å; Y657-M660 HydrophobicContact CD1-SD 4.07Å; Y657-M660 PolarHBondContact O-N 3.27Å; Y657-W661 WeakPolarHBondContact O-CB 3.5Å; Y657-W661 PolarHBondContact O-N 2.95Å; Y657-L717 HydrophobicContact CE1-CD2 3.98Å; Y657-L717 WeakPolarHBondContact OH-CB 3.48Å; Y657-L717 VanDerWaalsContact OH-CD2 3.28Å; Y657-L717 WeakPolarHBondContact OH-CD2 3.39Å; Y657-L717 PolarHBondContact OH-O 3.45Å
658E94.2Very high93.1Very high108 Ų10879.2 Ų79.251%0.50538%0.384SS..Hα-helixtrans-67-40.1172.8-172175.5-168.700111.5I654 A655 W661 S662I654-E658 PolarHBondContact O-N 3.47Å; A655-E658 PolarHBondContact O-N 3.06Å; E658-W661 PolarHBondContact O-N 3.29Å; E658-S662 WeakPolarHBondContact O-CB 3.39Å; E658-S662 PolarHBondContact O-N 3.16Å; E658-S662 PolarHBondContact O-OG 3.26Å
659K93.6Very high92.9Very high119 Ų11981.6 Ų81.652%0.51741%0.406SS..Hα-helixtrans-62.3-45.3171.8-169.9-176.1-177.1-162.70111.3A630 A655 V656 W661 S662 Y663A630-K659 WeakPolarHBondContact O-CE 3.42Å; A630-K659 PolarHBondContact O-NZ 2.99Å; A655-K659 WeakPolarHBondContact O-CB 3.38Å; A655-K659 PolarHBondContact O-N 3.2Å; V656-K659 PolarHBondContact O-N 2.9Å; K659-W661 VanDerWaalsContact C-N 3.35Å; K659-W661 PolarHBondContact O-N 3.48Å; K659-S662 PolarHBondContact O-N 3.36Å; K659-Y663 PolarHBondContact O-N 3.33Å
660M94.9Very high92.9Very high0 Ų086.3 Ų86.30%044%0.435CS..Hα-helixtrans-60.3-42.4174.7-71.3179.979.400112.2A626 L629 A630 Y637 F649 V656 Y657 Y663 M664 L693A626-M660 HydrophobicContact CB-CE 4.49Å; A626-M660 HydrophobicContact CB-SD 4.15Å; L629-M660 HydrophobicContact CB-CE 4.49Å; A630-M660 HydrophobicContact CB-CG 3.81Å; Y637-M660 HydrophobicContact CD2-CE 3.74Å; Y637-M660 HydrophobicContact CE2-CB 3.79Å; Y637-M660 HydrophobicContact CE2-CE 3.59Å; Y637-M660 HydrophobicContact CE2-CG 3.89Å; Y637-M660 HydrophobicContact CG-CE 4.44Å; Y637-M660 WeakPolarHBondContact OH-CA 3.38Å; F649-M660 HydrophobicContact CE1-SD 4.25Å; V656-M660 WeakPolarHBondContact O-CG 2.99Å; V656-M660 PolarHBondContact O-N 3.49Å; Y657-M660 HydrophobicContact CD1-SD 4.07Å; Y657-M660 PolarHBondContact O-N 3.27Å; M660-Y663 PolarHBondContact O-N 3.36Å; M660-M664 HydrophobicContact CB-CE 4.39Å; M660-M664 WeakPolarHBondContact O-CG 3.31Å; M660-M664 PolarHBondContact O-N 2.6Å; M660-L693 HydrophobicContact CE-CD1 3.98Å
661W95.3Very high93.1Very high39 Ų3979.4 Ų79.415%0.14841%0.409CS..Hα-helixtrans-63.6-43.1176.2176.6-113.7000112.3K646 F649 R650 Y657 E658 K659 Y663 M664 K665 F672K646-W661 HydrophobicContact CG-CH2 4.06Å; K646-W661 HydrophobicContact CG-CZ3 3.8Å; F649-W661 HydrophobicContact CB-CB 4.25Å; F649-W661 HydrophobicContact CB-CD2 4.47Å; F649-W661 HydrophobicContact CB-CE3 3.85Å; R650-W661 HydrophobicContact CB-CD2 4.15Å; R650-W661 HydrophobicContact CB-CE3 4.38Å; R650-W661 HydrophobicContact CB-CH2 3.92Å; R650-W661 HydrophobicContact CB-CZ2 3.64Å; R650-W661 HydrophobicContact CB-CZ3 4.28Å; R650-W661 HydrophobicContact CG-CH2 4.25Å; R650-W661 HydrophobicContact CG-CZ2 3.58Å; Y657-W661 WeakPolarHBondContact O-CB 3.5Å; Y657-W661 PolarHBondContact O-N 2.95Å; E658-W661 PolarHBondContact O-N 3.29Å; K659-W661 VanDerWaalsContact C-N 3.35Å; K659-W661 PolarHBondContact O-N 3.48Å; W661-Y663 VanDerWaalsContact C-N 3.32Å; W661-Y663 PolarHBondContact O-N 3.47Å; W661-M664 HydrophobicContact CE3-CE 4.2Å; W661-M664 PolarHBondContact O-N 2.89Å; W661-K665 VanDerWaalsContact O-CB 3.32Å; W661-K665 WeakPolarHBondContact O-CB 3.25Å; W661-K665 PolarHBondContact O-N 3.45Å; W661-F672 HydrophobicContact CH2-CZ 4.27Å; W661-F672 HydrophobicContact CZ3-CE1 4.17Å; W661-F672 AromaticContact CZ3-CZ 3.82Å; W661-F672 HydrophobicContact CZ3-CZ 3.82Å
662S93.9Very high93.3Very high66 Ų6674 Ų7446%0.46239%0.39SS..Hα-helixtrans-59.4-44.9177-60.50000111E658 K659 K665 S666E658-S662 WeakPolarHBondContact O-CB 3.39Å; E658-S662 PolarHBondContact O-N 3.16Å; E658-S662 PolarHBondContact O-OG 3.26Å; K659-S662 PolarHBondContact O-N 3.36Å; S662-K665 PolarHBondContact O-N 3.25Å; S662-S666 PolarHBondContact O-N 3.08Å; S662-S666 PolarHBondContact O-OG 3.45Å; S662-S666 VanDerWaalsContact O-OG 3.09Å
663Y94.7Very high93.3Very high56 Ų5673.6 Ų73.622%0.2239%0.386CS..Hα-helixtrans-59.8-51172.1170.4-94.7000112.1A636 Y637 K659 M660 W661 K665 S666 A667A636-Y663 WeakPolarHBondContact CA-OH 3.48Å; A636-Y663 WeakPolarHBondContact CB-OH 3.44Å; Y637-Y663 HydrophobicContact CD1-CD1 4.37Å; Y637-Y663 HydrophobicContact CD1-CE1 4.03Å; Y637-Y663 HydrophobicContact CD2-CD1 4.19Å; Y637-Y663 HydrophobicContact CD2-CE1 4.33Å; Y637-Y663 AromaticContact CE1-CD1 3.76Å; Y637-Y663 HydrophobicContact CE1-CD1 3.76Å; Y637-Y663 AromaticContact CE1-CE1 3.77Å; Y637-Y663 HydrophobicContact CE1-CE1 3.77Å; Y637-Y663 HydrophobicContact CE1-CG 4.46Å; Y637-Y663 AromaticContact CE2-CD1 3.54Å; Y637-Y663 HydrophobicContact CE2-CD1 3.54Å; Y637-Y663 HydrophobicContact CE2-CE1 4.09Å; Y637-Y663 HydrophobicContact CE2-CG 4.46Å; Y637-Y663 HydrophobicContact CG-CE1 4.31Å; Y637-Y663 AromaticContact CZ-CD1 3.3Å; Y637-Y663 AromaticContact CZ-CE1 3.81Å; Y637-Y663 AromaticContact CZ-CG 3.95Å; Y637-Y663 WeakPolarHBondContact OH-CD1 3.43Å; K659-Y663 PolarHBondContact O-N 3.33Å; M660-Y663 PolarHBondContact O-N 3.36Å; W661-Y663 VanDerWaalsContact C-N 3.32Å; W661-Y663 PolarHBondContact O-N 3.47Å; Y663-K665 PolarHBondContact O-N 2.89Å; Y663-S666 CarbonylContact O-C 3.45Å; Y663-S666 PolarHBondContact O-N 3.27Å; Y663-S666 VanDerWaalsContact O-N 3.13Å; Y663-S666 PolarHBondContact O-OG 2.94Å; Y663-A667 HydrophobicContact CE1-CB 4.43Å; Y663-A667 VanDerWaalsContact O-CB 3.29Å; Y663-A667 WeakPolarHBondContact O-CB 3.27Å; Y663-A667 PolarHBondContact O-N 3.47Å
664M94.8Very high93.2Very high3 Ų372.7 Ų72.72%0.01538%0.382CS..Hα-helixtrans-61.5-31.7-179.1-73.1-172-77.900112.5Y637 T639 F649 M660 W661 V671 F672Y637-M664 HydrophobicContact CD2-CG 4.03Å; Y637-M664 HydrophobicContact CD2-SD 4.29Å; Y637-M664 HydrophobicContact CE2-CG 3.98Å; T639-M664 HydrophobicContact CG2-SD 3.85Å; F649-M664 HydrophobicContact CB-CE 3.8Å; F649-M664 HydrophobicContact CD1-CE 4.07Å; F649-M664 HydrophobicContact CD2-CE 3.83Å; F649-M664 HydrophobicContact CE2-CE 4.46Å; F649-M664 HydrophobicContact CG-CE 3.63Å; M660-M664 HydrophobicContact CB-CE 4.39Å; M660-M664 WeakPolarHBondContact O-CG 3.31Å; M660-M664 PolarHBondContact O-N 2.6Å; W661-M664 HydrophobicContact CE3-CE 4.2Å; W661-M664 PolarHBondContact O-N 2.89Å; M664-V671 HydrophobicContact CB-CG2 3.96Å; M664-V671 HydrophobicContact CG-CG2 4Å; M664-F672 HydrophobicContact CB-CE1 4.31Å; M664-F672 HydrophobicContact CB-CZ 3.82Å; M664-F672 WeakPolarHBondContact O-CE2 3.29Å; M664-F672 HydrophobicContact SD-CE1 4.36Å
665K93.3Very high93Very high163 Ų16371.1 Ų71.171%0.70938%0.377SS*.Hα-helixtrans-73.6-36.6176.4-172.3-176177.1-169.70112.3W661 S662 Y663W661-K665 VanDerWaalsContact O-CB 3.32Å; W661-K665 WeakPolarHBondContact O-CB 3.25Å; W661-K665 PolarHBondContact O-N 3.45Å; S662-K665 PolarHBondContact O-N 3.25Å; Y663-K665 PolarHBondContact O-N 2.89Å
666S93.1Very high92.8Very high86 Ų8668.4 Ų68.460%0.60135%0.353SS*.Hα-helixtrans-93-4.8-178.466.50000114.4S662 Y663 E668S662-S666 PolarHBondContact O-N 3.08Å; S662-S666 PolarHBondContact O-OG 3.45Å; S662-S666 VanDerWaalsContact O-OG 3.09Å; Y663-S666 CarbonylContact O-C 3.45Å; Y663-S666 PolarHBondContact O-N 3.27Å; Y663-S666 VanDerWaalsContact O-N 3.13Å; Y663-S666 PolarHBondContact O-OG 2.94Å; S666-E668 PolarHBondContact O-N 3.04Å
667A91.9Very high92.7Very high17 Ų1770.4 Ų70.414%0.1437%0.367CS..  trans-72.9123.7-174.400000112.5Y663 P669 V671Y663-A667 HydrophobicContact CE1-CB 4.43Å; Y663-A667 VanDerWaalsContact O-CB 3.29Å; Y663-A667 WeakPolarHBondContact O-CB 3.27Å; Y663-A667 PolarHBondContact O-N 3.47Å; A667-P669 CarbonylContact O-C 3.59Å; A667-V671 HydrophobicContact CB-CG1 3.57Å; A667-V671 HydrophobicContact CB-CG2 4.2Å
668E88.6Confident92.6Very high188 Ų18873 Ų7388%0.87938%0.383SS*.SBendtrans-120.1124.3172.8-67.3-174.9177.600109.8S666S666-E668 PolarHBondContact O-N 3.04Å
669P89.4Confident92.5Very high106 Ų10667.9 Ų67.969%0.68836%0.359SS*.SBendcis-71.8163.6-132.1-36.7000113A667 V671A667-P669 CarbonylContact O-C 3.59Å; P669-V671 PolarHBondContact O-N 3.34Å
670T92.8Very high92.6Very high100 Ų10062.5 Ų62.561%0.61334%0.336SS*.  trans-52.6130.3-174.461.50000112.6R682T670-R682 PolarHBondContact O-NH1 3.24Å; T670-R682 PolarHBondContact O-NH2 3.39Å; T670-R682 VanDerWaalsContact O-NH2 3.17Å
671V94.6Very high92.5Very high3 Ų364.9 Ų64.92%0.01835%0.352CS..  trans-84.8-15.9177.4-66.10000112.7Y637 M664 A667 P669 F690Y637-V671 WeakPolarHBondContact O-CB 3.37Å; Y637-V671 WeakPolarHBondContact O-CG2 3.36Å; M664-V671 HydrophobicContact CB-CG2 3.96Å; M664-V671 HydrophobicContact CG-CG2 4Å; A667-V671 HydrophobicContact CB-CG1 3.57Å; A667-V671 HydrophobicContact CB-CG2 4.2Å; P669-V671 PolarHBondContact O-N 3.34Å; V671-F690 HydrophobicContact CB-CE2 4.46Å
672F94.5Very high92.5Very high38 Ų3866.2 Ų66.217%0.16736%0.357CS..  trans-75.2141.8177.8-56.9-68.4000112.2T639 D641 K646 W661 M664T639-F672 WeakPolarHBondContact O-CA 3.45Å; D641-F672 HydrophobicContact CB-CB 4.29Å; K646-F672 HydrophobicContact CD-CD1 4.22Å; K646-F672 HydrophobicContact CD-CE1 4.14Å; K646-F672 HydrophobicContact CG-CD1 4.38Å; K646-F672 HydrophobicContact CG-CE1 3.91Å; W661-F672 HydrophobicContact CH2-CZ 4.27Å; W661-F672 HydrophobicContact CZ3-CE1 4.17Å; W661-F672 AromaticContact CZ3-CZ 3.82Å; W661-F672 HydrophobicContact CZ3-CZ 3.82Å; M664-F672 HydrophobicContact CB-CE1 4.31Å; M664-F672 HydrophobicContact CB-CZ 3.82Å; M664-F672 WeakPolarHBondContact O-CE2 3.29Å; M664-F672 HydrophobicContact SD-CE1 4.36Å
673V92.8Very high92.6Very high12 Ų1263 Ų637%0.07334%0.335CS..BIsolated β-bridgetrans-117.4151178-61.60000111.1T639 L640 D641 D678 F692T639-V673 PolarHBondContact O-N 3.05Å; T639-V673 VanDerWaalsContact O-N 3.09Å; L640-V673 CarbonylContact C-O 3.21Å; L640-V673 WeakPolarHBondContact CA-O 3.18Å; L640-V673 HydrophobicContact CD1-CG2 4.3Å; D641-V673 WeakPolarHBondContact CB-O 3.45Å; D641-V673 PolarHBondContact N-O 2.59Å; V673-D678 HydrophobicContact CB-CB 4.45Å; V673-F692 HydrophobicContact CG2-CD2 4.36Å; V673-F692 HydrophobicContact CG2-CE2 3.39Å; V673-F692 HydrophobicContact CG2-CZ 3.69Å
674K89Confident92.5Very high179 Ų17963.4 Ų63.478%0.77834%0.336SS*.SBendtrans-80.9-37.3-177.2-64.8-175.2-178.6179.10112.9L640L640-K674 WeakPolarHBondContact CD1-O 3.4Å
675T88.8Confident92.4Very high61 Ų6171.4 Ų71.437%0.37437%0.371SS..SBendtrans-129.3154.7-178.773.60000111.5D678 G679T675-D678 PolarHBondContact O-N 3.08Å; T675-D678 PolarHBondContact OG1-N 3.39Å; T675-D678 PolarHBondContact OG1-OD2 3.39Å; T675-G679 PolarHBondContact O-N 2.7Å
676T89.6Confident92.3Very high21 Ų2165.4 Ų65.413%0.12935%0.349CS..Hα-helixtrans-58.6-45177.2-48.70000112.6E391 D678 G679 V680 F692 L694 M698E391-T676 PolarHBondContact OE1-OG1 2.88Å; T676-D678 VanDerWaalsContact C-N 3.3Å; T676-D678 PolarHBondContact O-N 3.49Å; T676-G679 PolarHBondContact O-N 2.89Å; T676-G679 VanDerWaalsContact O-N 3.17Å; T676-V680 WeakPolarHBondContact O-CG2 3.04Å; T676-V680 PolarHBondContact O-N 3.06Å; T676-V680 VanDerWaalsContact O-N 3.08Å; T676-F692 HydrophobicContact CG2-CE1 4.4Å; T676-L694 HydrophobicContact CG2-CD1 4.47Å; T676-M698 HydrophobicContact CG2-CE 4.24Å; T676-M698 HydrophobicContact CG2-CG 3.86Å; T676-M698 HydrophobicContact CG2-SD 4.35Å
677P92.1Very high92Very high85 Ų8570.2 Ų70.255%0.55236%0.359SS*.Hα-helixtrans-61.5-32.8176.9-25.236.4000114.5S681P677-S681 VanDerWaalsContact O-CB 3.31Å; P677-S681 WeakPolarHBondContact O-CB 3.26Å; P677-S681 PolarHBondContact O-N 3.31Å; P677-S681 PolarHBondContact O-OG 3.49Å
678D92.8Very high91.8Very high84 Ų8470.7 Ų70.745%0.44937%0.366SS..Hα-helixtrans-65.5-42.6175.4-65.1-31.7000111V673 T675 T676 S681 R682V673-D678 HydrophobicContact CB-CB 4.45Å; T675-D678 PolarHBondContact O-N 3.08Å; T675-D678 PolarHBondContact OG1-N 3.39Å; T675-D678 PolarHBondContact OG1-OD2 3.39Å; T676-D678 VanDerWaalsContact C-N 3.3Å; T676-D678 PolarHBondContact O-N 3.49Å; D678-S681 PolarHBondContact O-N 2.88Å; D678-R682 WeakPolarHBondContact O-CB 3.42Å; D678-R682 PolarHBondContact O-N 2.7Å
679G93.1Very high91.9Very high0 Ų066.7 Ų66.70%035%0.346CS..Hα-helixtrans-59.8-48.9174.800000112.6T675 T676 S681 R682 V683T675-G679 PolarHBondContact O-N 2.7Å; T676-G679 PolarHBondContact O-N 2.89Å; T676-G679 VanDerWaalsContact O-N 3.17Å; G679-S681 PolarHBondContact O-N 3.31Å; G679-R682 WeakPolarHBondContact O-CB 3.36Å; G679-R682 PolarHBondContact O-N 2.71Å; G679-V683 WeakPolarHBondContact O-CG2 3.29Å; G679-V683 PolarHBondContact O-N 2.82Å
680V94.3Very high92.2Very high6 Ų661.9 Ų61.94%0.03631%0.314CS..Hα-helixtrans-60.1-46.8176.4175.50000110.8M492 T676 R682 V683 R684 I702M492-V680 HydrophobicContact CE-CG2 4.32Å; M492-V680 HydrophobicContact SD-CG2 4.06Å; T676-V680 WeakPolarHBondContact O-CG2 3.04Å; T676-V680 PolarHBondContact O-N 3.06Å; T676-V680 VanDerWaalsContact O-N 3.08Å; V680-R682 VanDerWaalsContact C-N 3.29Å; V680-R682 PolarHBondContact O-N 2.95Å; V680-V683 PolarHBondContact O-N 3.31Å; V680-R684 WeakPolarHBondContact O-CG 3.17Å; V680-R684 PolarHBondContact O-N 2.97Å; V680-I702 HydrophobicContact CG1-CG2 3.71Å; V680-I702 HydrophobicContact CG2-CD1 4.38Å; V680-I702 HydrophobicContact CG2-CG1 4.17Å; V680-I702 HydrophobicContact CG2-CG2 4.16Å
681S94.2Very high92.3Very high49 Ų4957.1 Ų57.134%0.34329%0.285SS..Hα-helixtrans-63.1-36.5179.1-62.70000112.3P677 D678 G679 R684 K685P677-S681 VanDerWaalsContact O-CB 3.31Å; P677-S681 WeakPolarHBondContact O-CB 3.26Å; P677-S681 PolarHBondContact O-N 3.31Å; P677-S681 PolarHBondContact O-OG 3.49Å; D678-S681 PolarHBondContact O-N 2.88Å; G679-S681 PolarHBondContact O-N 3.31Å; S681-R684 PolarHBondContact O-N 3.37Å; S681-K685 WeakPolarHBondContact O-CB 3.32Å; S681-K685 VanDerWaalsContact O-CG 3.3Å; S681-K685 WeakPolarHBondContact O-CG 3.36Å; S681-K685 PolarHBondContact O-N 3.3Å
682R95.2Very high92.3Very high67 Ų6757.1 Ų57.125%0.25329%0.285SS..Hα-helixtrans-63.6-45.7175.1-172.7175.8179.4166.72.9111.3T670 D678 G679 V680 R684 K685 S686 F690T670-R682 PolarHBondContact O-NH1 3.24Å; T670-R682 PolarHBondContact O-NH2 3.39Å; T670-R682 VanDerWaalsContact O-NH2 3.17Å; D678-R682 WeakPolarHBondContact O-CB 3.42Å; D678-R682 PolarHBondContact O-N 2.7Å; G679-R682 WeakPolarHBondContact O-CB 3.36Å; G679-R682 PolarHBondContact O-N 2.71Å; V680-R682 VanDerWaalsContact C-N 3.29Å; V680-R682 PolarHBondContact O-N 2.95Å; R682-R684 VanDerWaalsContact C-N 3.34Å; R682-R684 PolarHBondContact O-N 2.94Å; R682-K685 PolarHBondContact O-N 3.15Å; R682-S686 VanDerWaalsContact O-CB 3.29Å; R682-S686 WeakPolarHBondContact O-CB 3.5Å; R682-S686 PolarHBondContact O-N 3.13Å; R682-S686 PolarHBondContact O-OG 2.82Å; R682-F690 HydrophobicContact CB-CD1 4.19Å; R682-F690 HydrophobicContact CB-CE1 4.22Å; R682-F690 HydrophobicContact CG-CD1 3.71Å; R682-F690 HydrophobicContact CG-CE1 3.9Å; R682-F690 HydrophobicContact CG-CG 4.11Å; R682-F690 HydrophobicContact CG-CZ 4.45Å
683V94.7Very high92.4Very high0 Ų055.4 Ų55.40%028%0.277CS..Hα-helixtrans-57.4-48174.4174.80000110.8M492 K494 G679 V680 K685 S686 F690 F692M492-V683 HydrophobicContact CG-CG1 4.5Å; K494-V683 HydrophobicContact CB-CG1 4.23Å; G679-V683 WeakPolarHBondContact O-CG2 3.29Å; G679-V683 PolarHBondContact O-N 2.82Å; V680-V683 PolarHBondContact O-N 3.31Å; V683-K685 VanDerWaalsContact C-N 3.34Å; V683-K685 PolarHBondContact O-N 3.26Å; V683-S686 PolarHBondContact O-N 3.08Å; V683-F690 HydrophobicContact CG2-CD1 3.71Å; V683-F690 HydrophobicContact CG2-CE1 4.15Å; V683-F692 HydrophobicContact CG2-CB 3.41Å; V683-F692 VanDerWaalsContact CG2-CB 3.41Å
684R93.3Very high92.4Very high64 Ų6455.3 Ų55.324%0.24228%0.276CS..Hα-helixtrans-60.9-40.5-178.6-69.4-177.8168.2161.61113K494 V680 S681 R682 D709 T710K494-R684 PolarHBondContact NZ-O 2.83Å; V680-R684 WeakPolarHBondContact O-CG 3.17Å; V680-R684 PolarHBondContact O-N 2.97Å; S681-R684 PolarHBondContact O-N 3.37Å; R682-R684 VanDerWaalsContact C-N 3.34Å; R682-R684 PolarHBondContact O-N 2.94Å; R684-D709 WeakPolarHBondContact CD-OD1 3.37Å; R684-D709 WeakPolarHBondContact CG-OD2 3.39Å; R684-D709 IonicContact CZ-OD1 3.28Å; R684-D709 IonicContact NE-OD1 3.18Å; R684-D709 PolarHBondContact NE-OD1 3.22Å; R684-D709 IonicContact NE-OD2 2.89Å; R684-D709 IonicContact NH2-OD1 2.94Å; R684-T710 HydrophobicContact CG-CG2 4.39Å
685K93.6Very high92.6Very high171 Ų17147.9 Ų47.974%0.74324%0.244SC*.Hα-helixtrans-77.7-27.8-178.9-70.9175.4-177.4-179.60113.5S681 R682 V683 K687S681-K685 WeakPolarHBondContact O-CB 3.32Å; S681-K685 VanDerWaalsContact O-CG 3.3Å; S681-K685 WeakPolarHBondContact O-CG 3.36Å; S681-K685 PolarHBondContact O-N 3.3Å; R682-K685 PolarHBondContact O-N 3.15Å; V683-K685 VanDerWaalsContact C-N 3.34Å; V683-K685 PolarHBondContact O-N 3.26Å; K685-K687 PolarHBondContact O-N 2.95Å
686S90.8Very high92.9Very high37 Ų3745.1 Ų45.126%0.25923%0.228SC..THydrogen-bonded Turntrans-79.55.8-172-57.30000114.8R682 V683 G688 K689 F690R682-S686 VanDerWaalsContact O-CB 3.29Å; R682-S686 WeakPolarHBondContact O-CB 3.5Å; R682-S686 PolarHBondContact O-N 3.13Å; R682-S686 PolarHBondContact O-OG 2.82Å; V683-S686 PolarHBondContact O-N 3.08Å; S686-G688 PolarHBondContact O-N 3.4Å; S686-K689 WeakPolarHBondContact O-CB 3.44Å; S686-K689 PolarHBondContact O-N 3.44Å; S686-F690 WeakPolarHBondContact OG-CB 3.32Å
687K87.3Confident93.1Very high186 Ų18644.2 Ų44.281%0.80922%0.222SC*.THydrogen-bonded Turntrans46.340.1177.3-57.4-174.2-178.1-179.70114.1K685K685-K687 PolarHBondContact O-N 2.95Å
688G86.6Confident93.1Very high28 Ų2840.6 Ų40.629%0.28920%0.198SC..THydrogen-bonded Turntrans86.73.5-179.900000116.1S686S686-G688 PolarHBondContact O-N 3.4Å
689K91.5Very high93.2Very high103 Ų10336.6 Ų36.645%0.44818%0.177SC..SBendtrans-92.55.3175.8-57.7-63-177.3-170.60114.5E634 I635 A636 S686E634-K689 HydrophobicContact CG-CD 4.17Å; E634-K689 IonicContact OE1-NZ 3.72Å; E634-K689 PolarHBondContact OE1-NZ 3.41Å; I635-K689 WeakPolarHBondContact CA-O 3.39Å; A636-K689 PolarHBondContact N-O 3.44Å; S686-K689 WeakPolarHBondContact O-CB 3.44Å; S686-K689 PolarHBondContact O-N 3.44Å
690F94.4Very high93.1Very high5 Ų538.5 Ų38.52%0.02219%0.185CC..EExtended strand (participates in β ladder)trans-139.3131.9175.7-174.3-103.3000111A636 V671 R682 V683 S686 F692A636-F690 HydrophobicContact CB-CD2 3.95Å; A636-F690 CarbonylContact O-C 3.6Å; A636-F690 WeakPolarHBondContact O-CA 3.42Å; A636-F690 WeakPolarHBondContact O-CD2 3.49Å; V671-F690 HydrophobicContact CB-CE2 4.46Å; R682-F690 HydrophobicContact CB-CD1 4.19Å; R682-F690 HydrophobicContact CB-CE1 4.22Å; R682-F690 HydrophobicContact CG-CD1 3.71Å; R682-F690 HydrophobicContact CG-CE1 3.9Å; R682-F690 HydrophobicContact CG-CG 4.11Å; R682-F690 HydrophobicContact CG-CZ 4.45Å; V683-F690 HydrophobicContact CG2-CD1 3.71Å; V683-F690 HydrophobicContact CG2-CE1 4.15Å; S686-F690 WeakPolarHBondContact OG-CB 3.32Å; F690-F692 HydrophobicContact CE1-CB 4.1Å; F690-F692 HydrophobicContact CE1-CD2 4.37Å
691A94.8Very high93.1Very high0 Ų038.8 Ų38.80%019%0.186CC..EExtended strand (participates in β ladder)trans-112.2137.817300000110.2I491 M492 I493 L629 I635 A636 Y637 G638I491-A691 HydrophobicContact CG2-CB 4.17Å; M492-A691 WeakPolarHBondContact O-CA 3.39Å; I493-A691 HydrophobicContact CG2-CB 3.85Å; L629-A691 HydrophobicContact CD1-CB 4.37Å; L629-A691 HydrophobicContact CD2-CB 4.09Å; I635-A691 HydrophobicContact CG2-CB 4.18Å; A636-A691 PolarHBondContact O-N 3.29Å; Y637-A691 VanDerWaalsContact CA-O 3.23Å; Y637-A691 WeakPolarHBondContact CA-O 3.5Å; G638-A691 PolarHBondContact N-O 2.89Å
692F95.8Very high93Very high3 Ų337.7 Ų37.71%0.01318%0.176CC..EExtended strand (participates in β ladder)trans-111.4126.2-179.4-173.8-132.8000110.5M492 G638 V673 T676 V683 F690 L694M492-F692 PolarHBondContact N-O 3.45Å; M492-F692 PolarHBondContact O-N 3.29Å; G638-F692 WeakPolarHBondContact O-CD2 3.29Å; V673-F692 HydrophobicContact CG2-CD2 4.36Å; V673-F692 HydrophobicContact CG2-CE2 3.39Å; V673-F692 HydrophobicContact CG2-CZ 3.69Å; T676-F692 HydrophobicContact CG2-CE1 4.4Å; V683-F692 HydrophobicContact CG2-CB 3.41Å; V683-F692 VanDerWaalsContact CG2-CB 3.41Å; F690-F692 HydrophobicContact CE1-CB 4.1Å; F690-F692 HydrophobicContact CE1-CD2 4.37Å; F692-L694 HydrophobicContact CD1-CB 4.2Å; F692-L694 HydrophobicContact CD1-CD1 4.13Å; F692-L694 HydrophobicContact CD1-CD2 3.79Å; F692-L694 HydrophobicContact CD1-CG 4.27Å; F692-L694 HydrophobicContact CE1-CB 3.95Å; F692-L694 HydrophobicContact CE1-CD1 4.05Å; F692-L694 HydrophobicContact CE1-CD2 4.36Å; F692-L694 HydrophobicContact CE1-CG 4.35Å; F692-L694 HydrophobicContact CG-CD2 4.4Å; F692-L694 HydrophobicContact CZ-CB 4.48Å; F692-L694 WeakPolarHBondContact O-CD2 3.36Å
693L95.6Very high92.8Very high2 Ų237.5 Ų37.51%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-94.6114.6178.3-54174.1000109.1I489 S490 I491 Y637 G638 T639 F649 M660I489-L693 HydrophobicContact CG2-CB 4.24Å; S490-L693 WeakPolarHBondContact O-CA 3.4Å; I491-L693 HydrophobicContact CB-CD2 4.28Å; I491-L693 HydrophobicContact CG1-CD2 3.6Å; I491-L693 HydrophobicContact CG2-CD2 4.39Å; Y637-L693 HydrophobicContact CD2-CD1 4.45Å; G638-L693 PolarHBondContact O-N 3.32Å; T639-L693 HydrophobicContact CG2-CB 3.98Å; T639-L693 HydrophobicContact CG2-CD1 4.05Å; F649-L693 HydrophobicContact CE2-CD1 3.68Å; F649-L693 HydrophobicContact CZ-CD1 3.79Å; M660-L693 HydrophobicContact CE-CD1 3.98Å
694L93.9Very high92.6Very high11 Ų1138.9 Ų38.96%0.05818%0.184CC..EExtended strand (participates in β ladder)trans-147.2169.4-178.372.6166.2000111.1S490 M492 T676 F692 M698 N699S490-L694 PolarHBondContact N-O 3.32Å; S490-L694 PolarHBondContact O-N 2.9Å; S490-L694 VanDerWaalsContact O-N 3.13Å; S490-L694 VanDerWaalsContact O-O 3.07Å; S490-L694 PolarHBondContact OG-O 2.95Å; M492-L694 HydrophobicContact CB-CD2 3.48Å; M492-L694 VanDerWaalsContact CB-CD2 3.48Å; M492-L694 HydrophobicContact CE-CD1 3.88Å; M492-L694 HydrophobicContact CE-CD2 4.08Å; M492-L694 HydrophobicContact SD-CD2 4.41Å; T676-L694 HydrophobicContact CG2-CD1 4.47Å; F692-L694 HydrophobicContact CD1-CB 4.2Å; F692-L694 HydrophobicContact CD1-CD1 4.13Å; F692-L694 HydrophobicContact CD1-CD2 3.79Å; F692-L694 HydrophobicContact CD1-CG 4.27Å; F692-L694 HydrophobicContact CE1-CB 3.95Å; F692-L694 HydrophobicContact CE1-CD1 4.05Å; F692-L694 HydrophobicContact CE1-CD2 4.36Å; F692-L694 HydrophobicContact CE1-CG 4.35Å; F692-L694 HydrophobicContact CG-CD2 4.4Å; F692-L694 HydrophobicContact CZ-CB 4.48Å; F692-L694 WeakPolarHBondContact O-CD2 3.36Å; L694-M698 HydrophobicContact CD1-CB 3.83Å; L694-M698 HydrophobicContact CD1-CG 3.55Å; L694-N699 HydrophobicContact CD2-CB 4.3Å; L694-N699 HydrophobicContact CG-CB 4.32Å
695E93.4Very high92.4Very high22 Ų2237.7 Ų37.710%0.10318%0.18CC..EExtended strand (participates in β ladder)trans-64.6140.7179.8-69.6169.1139.900111.6T469 L487 G488 T697 M698 N699 Y722T469-E695 PolarHBondContact OG1-OE1 3.27Å; L487-E695 HydrophobicContact CD1-CB 4.01Å; L487-E695 HydrophobicContact CD1-CG 3.75Å; G488-E695 CarbonylContact O-C 3.59Å; G488-E695 WeakPolarHBondContact O-CA 3.21Å; E695-T697 VanDerWaalsContact C-N 3.26Å; E695-T697 PolarHBondContact O-N 3.29Å; E695-M698 PolarHBondContact O-N 3.1Å; E695-N699 PolarHBondContact O-N 3.25Å; E695-N699 VanDerWaalsContact O-N 3.09Å; E695-Y722 VanDerWaalsContact CD-OH 3.25Å; E695-Y722 PolarHBondContact OE2-OH 3.04Å
696S94.6Very high92.2Very high4 Ų436.3 Ų36.33%0.02817%0.174CC..Hα-helixtrans-58.6-35.7-172.262.90000113.4G488 S490 M698 N699 E700 N716G488-S696 PolarHBondContact N-OG 3.39Å; G488-S696 WeakPolarHBondContact O-CB 3.4Å; G488-S696 PolarHBondContact O-N 3.1Å; S490-S696 WeakPolarHBondContact OG-CA 3.34Å; S696-M698 VanDerWaalsContact C-N 3.31Å; S696-M698 PolarHBondContact O-N 3.27Å; S696-N699 PolarHBondContact O-N 3.03Å; S696-E700 WeakPolarHBondContact O-CB 3.47Å; S696-E700 WeakPolarHBondContact O-CG 3.48Å; S696-E700 PolarHBondContact O-N 2.86Å; S696-N716 WeakPolarHBondContact CB-OD1 3.37Å
697T93.2Very high92.1Very high1 Ų138.8 Ų38.81%0.00619%0.189CC..Hα-helixtrans-63.2-39178.254.30000111.6Y394 M485 L487 E695 Y701 Y722 W757Y394-T697 VanDerWaalsContact OH-CB 3.3Å; Y394-T697 WeakPolarHBondContact OH-CB 3.44Å; Y394-T697 PolarHBondContact OH-OG1 2.86Å; M485-T697 HydrophobicContact CG-CG2 4.09Å; M485-T697 HydrophobicContact SD-CG2 3.53Å; M485-T697 VanDerWaalsContact SD-CG2 3.53Å; L487-T697 HydrophobicContact CB-CG2 3.81Å; L487-T697 HydrophobicContact CD2-CG2 4.21Å; E695-T697 VanDerWaalsContact C-N 3.26Å; E695-T697 PolarHBondContact O-N 3.29Å; T697-Y701 WeakPolarHBondContact O-CB 3.48Å; T697-Y701 PolarHBondContact O-N 3.06Å; T697-Y701 VanDerWaalsContact O-N 3.13Å; T697-Y722 PolarHBondContact OG1-OH 3.34Å; T697-W757 PolarHBondContact O-NE1 3.28Å
698M92.7Very high92.2Very high10 Ų1032 Ų325%0.04916%0.164CC..Hα-helixtrans-73.3-37.6176.3-175.261.880.800111E391 A392 Y394 T676 L694 E695 S696 Y701 I702E391-M698 VanDerWaalsContact CD-CE 3.47Å; E391-M698 HydrophobicContact CG-CE 3.45Å; E391-M698 VanDerWaalsContact CG-CE 3.45Å; E391-M698 WeakPolarHBondContact OE1-CE 3.14Å; A392-M698 WeakPolarHBondContact O-CE 3.29Å; Y394-M698 HydrophobicContact CE2-CE 4.16Å; T676-M698 HydrophobicContact CG2-CE 4.24Å; T676-M698 HydrophobicContact CG2-CG 3.86Å; T676-M698 HydrophobicContact CG2-SD 4.35Å; L694-M698 HydrophobicContact CD1-CB 3.83Å; L694-M698 HydrophobicContact CD1-CG 3.55Å; E695-M698 PolarHBondContact O-N 3.1Å; S696-M698 VanDerWaalsContact C-N 3.31Å; S696-M698 PolarHBondContact O-N 3.27Å; M698-Y701 WeakPolarHBondContact O-CB 3.47Å; M698-Y701 PolarHBondContact O-N 3.21Å; M698-Y701 HydrophobicContact SD-CD1 4.06Å; M698-I702 HydrophobicContact CG-CG1 4.3Å; M698-I702 VanDerWaalsContact O-CG1 3.26Å; M698-I702 WeakPolarHBondContact O-CG1 3.2Å; M698-I702 PolarHBondContact O-N 3.11Å; M698-I702 HydrophobicContact SD-CD1 4.36Å; M698-I702 HydrophobicContact SD-CG1 4.11Å
699N93.9Very high92.4Very high0 Ų031.9 Ų31.90%016%0.157CC..Hα-helixtrans-62.2-50177.2-163.30.2000111.8S490 I491 M492 L694 E695 S696 Y701 I702 E703S490-N699 VanDerWaalsContact OG-CB 3.27Å; S490-N699 WeakPolarHBondContact OG-CB 3.38Å; S490-N699 PolarHBondContact OG-ND2 3.32Å; I491-N699 PolarHBondContact O-ND2 3.4Å; I491-N699 VanDerWaalsContact O-ND2 3.09Å; M492-N699 HydrophobicContact CE-CB 4.33Å; M492-N699 VanDerWaalsContact CE-OD1 3.28Å; M492-N699 WeakPolarHBondContact CE-OD1 3.38Å; L694-N699 HydrophobicContact CD2-CB 4.3Å; L694-N699 HydrophobicContact CG-CB 4.32Å; E695-N699 PolarHBondContact O-N 3.25Å; E695-N699 VanDerWaalsContact O-N 3.09Å; S696-N699 PolarHBondContact O-N 3.03Å; N699-Y701 VanDerWaalsContact C-N 3.25Å; N699-Y701 PolarHBondContact O-N 2.64Å; N699-I702 PolarHBondContact O-N 3.33Å; N699-E703 WeakPolarHBondContact O-CB 3.42Å; N699-E703 PolarHBondContact O-N 3.47Å
700E92.1Very high92.4Very high39 Ų3927 Ų2718%0.18214%0.136CC..Hα-helixtrans-58.7-37.6175.1-73.1162.5-154.900111.8S696 Q704 K712S696-E700 WeakPolarHBondContact O-CB 3.47Å; S696-E700 WeakPolarHBondContact O-CG 3.48Å; S696-E700 PolarHBondContact O-N 2.86Å; E700-Q704 WeakPolarHBondContact O-CG 3.32Å; E700-Q704 PolarHBondContact O-N 3.3Å; E700-K712 HydrophobicContact CG-CD 4.39Å; E700-K712 IonicContact OE1-NZ 2.73Å; E700-K712 PolarHBondContact OE1-NZ 3.33Å
701Y92.9Very high92.2Very high13 Ų1328.5 Ų28.55%0.05114%0.144CC..Hα-helixtrans-64.7-49.8176.1177.7-111.7000112.8A392 P393 T697 M698 N699 E703 Q704 R705A392-Y701 HydrophobicContact CB-CE1 3.96Å; P393-Y701 HydrophobicContact CB-CD2 4.02Å; P393-Y701 HydrophobicContact CB-CE1 4.49Å; P393-Y701 HydrophobicContact CB-CE2 3.41Å; P393-Y701 VanDerWaalsContact CB-CE2 3.41Å; P393-Y701 HydrophobicContact CG-CD1 4.48Å; P393-Y701 HydrophobicContact CG-CD2 3.52Å; P393-Y701 HydrophobicContact CG-CE1 4.45Å; P393-Y701 HydrophobicContact CG-CE2 3.47Å; P393-Y701 VanDerWaalsContact CG-CE2 3.47Å; P393-Y701 HydrophobicContact CG-CG 4.02Å; T697-Y701 WeakPolarHBondContact O-CB 3.48Å; T697-Y701 PolarHBondContact O-N 3.06Å; T697-Y701 VanDerWaalsContact O-N 3.13Å; M698-Y701 WeakPolarHBondContact O-CB 3.47Å; M698-Y701 PolarHBondContact O-N 3.21Å; M698-Y701 HydrophobicContact SD-CD1 4.06Å; N699-Y701 VanDerWaalsContact C-N 3.25Å; N699-Y701 PolarHBondContact O-N 2.64Å; Y701-E703 VanDerWaalsContact C-N 3.3Å; Y701-E703 PolarHBondContact O-N 3.46Å; Y701-Q704 PolarHBondContact O-N 3.41Å; Y701-Q704 VanDerWaalsContact O-N 3.14Å; Y701-R705 HydrophobicContact CE1-CG 4.34Å; Y701-R705 VanDerWaalsContact CZ-NH2 3.31Å; Y701-R705 WeakPolarHBondContact O-CG 3.38Å; Y701-R705 VanDerWaalsContact OH-CZ 3.28Å; Y701-R705 PolarHBondContact OH-NE 3.48Å; Y701-R705 VanDerWaalsContact OH-NE 3.07Å; Y701-R705 PolarHBondContact OH-NH2 3.37Å
702I93.1Very high92Very high26 Ų2631.2 Ų31.213%0.13316%0.155CC..Hα-helixtrans-68.4-33-176.7-64.8-65000111.2M492 V680 M698 N699 Q704 R705 T710M492-I702 HydrophobicContact CE-CB 3.68Å; M492-I702 HydrophobicContact CE-CG1 4.18Å; M492-I702 HydrophobicContact CE-CG2 3.7Å; M492-I702 HydrophobicContact SD-CG2 4.39Å; V680-I702 HydrophobicContact CG1-CG2 3.71Å; V680-I702 HydrophobicContact CG2-CD1 4.38Å; V680-I702 HydrophobicContact CG2-CG1 4.17Å; V680-I702 HydrophobicContact CG2-CG2 4.16Å; M698-I702 HydrophobicContact CG-CG1 4.3Å; M698-I702 VanDerWaalsContact O-CG1 3.26Å; M698-I702 WeakPolarHBondContact O-CG1 3.2Å; M698-I702 PolarHBondContact O-N 3.11Å; M698-I702 HydrophobicContact SD-CD1 4.36Å; M698-I702 HydrophobicContact SD-CG1 4.11Å; N699-I702 PolarHBondContact O-N 3.33Å; I702-Q704 PolarHBondContact O-N 2.97Å; I702-R705 WeakPolarHBondContact O-CB 3.47Å; I702-R705 PolarHBondContact O-N 3.29Å; I702-T710 HydrophobicContact CG2-CG2 4.15Å
703E91.6Very high91.8Very high62 Ų6231.5 Ų31.529%0.2916%0.157SC..Hα-helixtrans-58.2-34.7171.7-179.2169.2-16200112.5N699 Y701 R705 C763N699-E703 WeakPolarHBondContact O-CB 3.42Å; N699-E703 PolarHBondContact O-N 3.47Å; Y701-E703 VanDerWaalsContact C-N 3.3Å; Y701-E703 PolarHBondContact O-N 3.46Å; E703-R705 VanDerWaalsContact C-N 3.26Å; E703-R705 PolarHBondContact O-N 3.12Å; E703-C763 PolarHBondContact O-SG 3.48Å
704Q89.7Confident91.5Very high29 Ų2933.4 Ų33.414%0.13618%0.178CC..THydrogen-bonded Turntrans-82.35.2177.1-63.5-62.3-32.400114.1E700 Y701 I702 E762 C763 S765E700-Q704 WeakPolarHBondContact O-CG 3.32Å; E700-Q704 PolarHBondContact O-N 3.3Å; Y701-Q704 PolarHBondContact O-N 3.41Å; Y701-Q704 VanDerWaalsContact O-N 3.14Å; I702-Q704 PolarHBondContact O-N 2.97Å; Q704-E762 PolarHBondContact O-N 2.91Å; Q704-C763 PolarHBondContact O-N 3.35Å; Q704-C763 VanDerWaalsContact O-N 3.09Å; Q704-C763 PolarHBondContact OE1-O 2.85Å; Q704-S765 PolarHBondContact NE2-OG 3.48Å; Q704-S765 VanDerWaalsContact NE2-OG 3.14Å; Q704-S765 PolarHBondContact OE1-OG 2.79Å
705R90.1Very high91.3Very high39 Ų3935.6 Ų35.615%0.14720%0.203CC..SBendtrans-107.8143.3-179.1-65.9-65-178.3-161.8-9.8112.8Y701 I702 E703 C708 K760 E762 C763Y701-R705 HydrophobicContact CE1-CG 4.34Å; Y701-R705 VanDerWaalsContact CZ-NH2 3.31Å; Y701-R705 WeakPolarHBondContact O-CG 3.38Å; Y701-R705 VanDerWaalsContact OH-CZ 3.28Å; Y701-R705 PolarHBondContact OH-NE 3.48Å; Y701-R705 VanDerWaalsContact OH-NE 3.07Å; Y701-R705 PolarHBondContact OH-NH2 3.37Å; I702-R705 WeakPolarHBondContact O-CB 3.47Å; I702-R705 PolarHBondContact O-N 3.29Å; E703-R705 VanDerWaalsContact C-N 3.26Å; E703-R705 PolarHBondContact O-N 3.12Å; R705-C708 WeakPolarHBondContact O-CA 3.29Å; R705-C708 PolarHBondContact O-N 3.38Å; R705-K760 PolarHBondContact NH1-O 3.2Å; R705-E762 IonicContact CZ-OE1 2.63Å; R705-E762 IonicContact NH1-OE1 3.87Å; R705-E762 PolarHBondContact NH1-OE1 3.09Å; R705-C763 PolarHBondContact N-SG 3.21Å; R705-C763 PolarHBondContact O-SG 2.76Å
706K87.5Confident91.3Very high143 Ų14337.9 Ų37.962%0.62222%0.216SC*.THydrogen-bonded Turntrans-58.6141.5175.8-74.6175.4179.1-179.40110.7E762K706-E762 HydrophobicContact CD-CB 4.29Å; K706-E762 HydrophobicContact CG-CB 3.95Å; K706-E762 PolarHBondContact N-OE2 2.86Å
707P90.5Very high91.1Very high89 Ų8939.3 Ų39.358%0.57822%0.223SC*.THydrogen-bonded Turncis-90.824.16.637.1-35.4000115.1D709P707-D709 VanDerWaalsContact C-N 3.27Å; P707-D709 HydrophobicContact CG-CB 4.14Å; P707-D709 PolarHBondContact O-N 2.98Å
708C89.1Confident91Very high42 Ų4240.8 Ų40.828%0.28423%0.231SC..  trans61.133.8177.3-36.20000113.5R705 C763R705-C708 WeakPolarHBondContact O-CA 3.29Å; R705-C708 PolarHBondContact O-N 3.38Å; C708-C763 WeakPolarHBondContact CA-SG 3.31Å; C708-C763 HydrophobicContact CB-CB 3.88Å; C708-C763 WeakPolarHBondContact CB-SG 3.27Å; C708-C763 WeakPolarHBondContact SG-CA 3.34Å; C708-C763 WeakPolarHBondContact SG-CB 3.44Å; C708-C763 CovalentContact SG-SG 2.01Å; C708-C763 PolarHBondContact SG-SG 2.71Å
709D90.4Very high90.9Very high27 Ų2745.9 Ų45.914%0.14427%0.268CS..  trans-103.910.4-171.675.9-34000113.8K494 K495 R684 P707K494-D709 CarbonylContact C-O 3.56Å; K494-D709 WeakPolarHBondContact CA-O 3.23Å; K494-D709 VanDerWaalsContact CG-O 3.29Å; K494-D709 WeakPolarHBondContact CG-O 3.42Å; K494-D709 IonicContact NZ-OD2 3.62Å; K494-D709 PolarHBondContact NZ-OD2 3.04Å; K495-D709 PolarHBondContact N-O 3.33Å; R684-D709 WeakPolarHBondContact CD-OD1 3.37Å; R684-D709 WeakPolarHBondContact CG-OD2 3.39Å; R684-D709 IonicContact CZ-OD1 3.28Å; R684-D709 IonicContact NE-OD1 3.18Å; R684-D709 PolarHBondContact NE-OD1 3.22Å; R684-D709 IonicContact NE-OD2 2.89Å; R684-D709 IonicContact NH2-OD1 2.94Å; P707-D709 VanDerWaalsContact C-N 3.27Å; P707-D709 HydrophobicContact CG-CB 4.14Å; P707-D709 PolarHBondContact O-N 2.98Å
710T91.6Very high90.8Very high1 Ų147.5 Ų47.51%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-111.5153.6173.254.60000109.7M492 I493 R684 I702M492-T710 HydrophobicContact CG-CG2 4.23Å; M492-T710 HydrophobicContact SD-CG2 3.93Å; I493-T710 CarbonylContact O-C 3.59Å; I493-T710 WeakPolarHBondContact O-CA 3.35Å; R684-T710 HydrophobicContact CG-CG2 4.39Å; I702-T710 HydrophobicContact CG2-CG2 4.15Å
711M89.7Confident90.9Very high36 Ų3646 Ų4618%0.17727%0.27CS..EExtended strand (participates in β ladder)trans-142.5145.9173.164.8-178.7-6700110.3I493 K495 P496 V713I493-M711 HydrophobicContact CD1-CG 4.01Å; I493-M711 HydrophobicContact CD1-SD 3.85Å; I493-M711 HydrophobicContact CG1-CG 3.43Å; I493-M711 VanDerWaalsContact CG1-CG 3.43Å; I493-M711 HydrophobicContact CG1-SD 3.95Å; I493-M711 PolarHBondContact N-O 3.1Å; I493-M711 VanDerWaalsContact N-O 3.09Å; I493-M711 PolarHBondContact O-N 2.93Å; K495-M711 HydrophobicContact CB-CB 4.4Å; K495-M711 HydrophobicContact CB-CG 4.49Å; K495-M711 HydrophobicContact CG-SD 4.49Å; P496-M711 WeakPolarHBondContact CD-SD 3.49Å; P496-M711 HydrophobicContact CG-SD 4.23Å; M711-V713 HydrophobicContact CE-CG1 3.67Å; M711-V713 HydrophobicContact CG-CG1 4.34Å; M711-V713 HydrophobicContact SD-CG1 4.37Å
712K91.6Very high91Very high57 Ų5745.5 Ų45.525%0.24827%0.268CS..EExtended strand (participates in β ladder)trans-80.3132.3167.3-178.5179.1179.9-172.20109.3E700 N716E700-K712 HydrophobicContact CG-CD 4.39Å; E700-K712 IonicContact OE1-NZ 2.73Å; E700-K712 PolarHBondContact OE1-NZ 3.33Å; K712-N716 PolarHBondContact NZ-OD1 3.31Å
713V90.4Very high91.1Very high8 Ų844.3 Ų44.35%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-118.8143.8172.4-69.10000111.2I491 I493 M711I491-V713 HydrophobicContact CB-CG2 3.68Å; I491-V713 HydrophobicContact CG2-CG2 3.53Å; I491-V713 PolarHBondContact O-N 3.23Å; I491-V713 VanDerWaalsContact O-N 3.11Å; I493-V713 HydrophobicContact CD1-CG1 3.47Å; I493-V713 VanDerWaalsContact CD1-CG1 3.47Å; I493-V713 HydrophobicContact CD1-CG2 4.32Å; I493-V713 HydrophobicContact CG1-CG1 3.83Å; I493-V713 HydrophobicContact CG1-CG2 4.32Å; I493-V713 HydrophobicContact CG2-CG2 4.2Å; M711-V713 HydrophobicContact CE-CG1 3.67Å; M711-V713 HydrophobicContact CG-CG1 4.34Å; M711-V713 HydrophobicContact SD-CG1 4.37Å
714G88.8Confident91.3Very high43 Ų4341.3 Ų41.344%0.44325%0.248SC..SBendtrans68.9179.6-179.900000114.7E624E624-G714 WeakPolarHBondContact O-CA 3.35Å; E624-G714 PolarHBondContact O-N 3.12Å
715G90.6Very high91.7Very high57 Ų5740 Ų4059%0.58824%0.241SC*.  trans-77.1175169.900000112.5
716N93Very high91.9Very high70 Ų7038.2 Ų38.237%0.37424%0.235SC..  trans-71138.8170.5-66.9-7.7000109.9G488 I489 S696 K712 D718G488-N716 PolarHBondContact N-ND2 3.39Å; I489-N716 WeakPolarHBondContact O-CA 3.39Å; S696-N716 WeakPolarHBondContact CB-OD1 3.37Å; K712-N716 PolarHBondContact NZ-OD1 3.31Å; N716-D718 VanDerWaalsContact C-N 3.31Å
717L91.5Very high92.2Very high34 Ų3432.8 Ų32.818%0.17822%0.215CC..SBendtrans-77.6-18.9-177.6-63.6162.3000113.2I489 A626 F649 Y657I489-L717 HydrophobicContact CB-CB 4.22Å; I489-L717 HydrophobicContact CB-CD1 4.12Å; I489-L717 HydrophobicContact CG2-CD1 3.8Å; I489-L717 PolarHBondContact O-N 3.48Å; A626-L717 HydrophobicContact CB-CD1 4.36Å; A626-L717 HydrophobicContact CB-CD2 3.39Å; F649-L717 HydrophobicContact CZ-CD1 4.44Å; Y657-L717 HydrophobicContact CE1-CD2 3.98Å; Y657-L717 WeakPolarHBondContact OH-CB 3.48Å; Y657-L717 VanDerWaalsContact OH-CD2 3.28Å; Y657-L717 WeakPolarHBondContact OH-CD2 3.39Å; Y657-L717 PolarHBondContact OH-O 3.45Å
718D91Very high92Very high31 Ų3134.3 Ų34.317%0.16621%0.212CC..SBendtrans-149.9174.5178.7632000111.5G488 I489 F648 N716 K720G488-D718 WeakPolarHBondContact CA-O 3.47Å; G488-D718 WeakPolarHBondContact CA-OD1 3.25Å; I489-D718 VanDerWaalsContact CD1-OD2 3.29Å; I489-D718 WeakPolarHBondContact CD1-OD2 3.43Å; I489-D718 PolarHBondContact N-OD1 2.93Å; F648-D718 HydrophobicContact CE2-CB 4.35Å; F648-D718 HydrophobicContact CZ-CB 4.33Å; N716-D718 VanDerWaalsContact C-N 3.31Å; D718-K720 WeakPolarHBondContact OD2-CD 3.32Å; D718-K720 WeakPolarHBondContact OD2-CE 3.39Å; D718-K720 IonicContact OD2-NZ 3.39Å; D718-K720 PolarHBondContact OD2-NZ 3.19Å
719S90.3Very high91.6Very high118 Ų11837.5 Ų37.583%0.82524%0.235SC*.  trans-117113.1173.2-169.90000109.4
720K91Very high91.4Very high34 Ų3437.8 Ų37.815%0.14824%0.239CC..EExtended strand (participates in β ladder)trans-129.3170.5-177.7-78.7169167.1154.30109.7T469 L487 D718T469-K720 HydrophobicContact CG2-CB 4.06Å; T469-K720 HydrophobicContact CG2-CD 3.79Å; T469-K720 HydrophobicContact CG2-CG 4.08Å; L487-K720 HydrophobicContact CD1-CB 3.78Å; L487-K720 HydrophobicContact CG-CB 4.35Å; L487-K720 PolarHBondContact N-O 3.5Å; L487-K720 CarbonylContact O-C 3.57Å; L487-K720 WeakPolarHBondContact O-CA 3.32Å; L487-K720 PolarHBondContact O-N 2.9Å; D718-K720 WeakPolarHBondContact OD2-CD 3.32Å; D718-K720 WeakPolarHBondContact OD2-CE 3.39Å; D718-K720 IonicContact OD2-NZ 3.39Å; D718-K720 PolarHBondContact OD2-NZ 3.19Å
721G93.9Very high91.1Very high8 Ų842.4 Ų42.48%0.08228%0.277CS..EExtended strand (participates in β ladder)trans-150.7153.6171.100000112.5I470 M485I470-G721 WeakPolarHBondContact CG1-O 3.16Å; I470-G721 PolarHBondContact N-O 2.93Å; I470-G721 VanDerWaalsContact N-O 3.09Å; M485-G721 CarbonylContact O-C 3.56Å; M485-G721 WeakPolarHBondContact O-CA 3.42Å
722Y95.7Very high91Very high2 Ų241.8 Ų41.81%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-84.4134.7166-62.2-39.6000110.1Y394 P467 P483 F484 M485 L487 E695 T697Y394-Y722 HydrophobicContact CE1-CD2 4.43Å; Y394-Y722 AromaticContact CE1-CE2 3.99Å; Y394-Y722 HydrophobicContact CE1-CE2 3.99Å; Y394-Y722 AromaticContact CZ-CE2 3.85Å; Y394-Y722 WeakPolarHBondContact OH-CE2 3.46Å; P467-Y722 VanDerWaalsContact C-CD1 3.45Å; P467-Y722 HydrophobicContact CB-CD1 4.3Å; P467-Y722 HydrophobicContact CB-CD2 4.09Å; P467-Y722 HydrophobicContact CB-CE1 3.89Å; P467-Y722 HydrophobicContact CB-CE2 3.65Å; P467-Y722 HydrophobicContact CB-CG 4.4Å; P467-Y722 WeakPolarHBondContact O-CE1 3.44Å; P483-Y722 CarbonylContact C-O 3.6Å; P483-Y722 WeakPolarHBondContact CA-O 3.36Å; F484-Y722 VanDerWaalsContact CD1-O 3.31Å; F484-Y722 WeakPolarHBondContact CD1-O 3.42Å; F484-Y722 HydrophobicContact CE2-CD2 4.38Å; F484-Y722 HydrophobicContact CZ-CD2 4.27Å; F484-Y722 HydrophobicContact CZ-CG 4.24Å; F484-Y722 PolarHBondContact N-O 3.44Å; M485-Y722 HydrophobicContact CB-CD2 4.33Å; M485-Y722 PolarHBondContact O-N 3.26Å; M485-Y722 HydrophobicContact SD-CD2 4.3Å; M485-Y722 HydrophobicContact SD-CE2 4.49Å; L487-Y722 HydrophobicContact CD2-CD1 3.64Å; L487-Y722 HydrophobicContact CD2-CD2 3.45Å; L487-Y722 VanDerWaalsContact CD2-CD2 3.45Å; L487-Y722 HydrophobicContact CD2-CE1 3.42Å; L487-Y722 VanDerWaalsContact CD2-CE1 3.42Å; L487-Y722 HydrophobicContact CD2-CE2 3.19Å; L487-Y722 HydrophobicContact CD2-CG 3.66Å; E695-Y722 VanDerWaalsContact CD-OH 3.25Å; E695-Y722 PolarHBondContact OE2-OH 3.04Å; T697-Y722 PolarHBondContact OG1-OH 3.34Å
723G95.4Very high90.8Very high0 Ų043.8 Ų43.80%028%0.281CS..  trans-125.4154.1174.600000110.7L468L468-G723 PolarHBondContact O-N 3.28Å
724V96.6Very high90.8Very high0 Ų048.9 Ų48.90%031%0.307CS..  trans-76.8127.5169.1-177.90000107.5I421 I463 V465 F480 S481 F484 V736 V740I421-V724 HydrophobicContact CD1-CG2 3.93Å; I463-V724 HydrophobicContact CD1-CG1 3.61Å; I463-V724 HydrophobicContact CG1-CG1 3.64Å; V465-V724 HydrophobicContact CG2-CG1 3.96Å; F480-V724 CarbonylContact C-O 3.57Å; F480-V724 WeakPolarHBondContact CA-O 3.43Å; S481-V724 PolarHBondContact N-O 2.94Å; S481-V724 PolarHBondContact OG-N 3.41Å; F484-V724 HydrophobicContact CD1-CG2 4.08Å; F484-V724 HydrophobicContact CE1-CG2 4.32Å; V724-V736 HydrophobicContact CB-CG1 4.01Å; V724-V736 HydrophobicContact CG1-CG1 3.75Å; V724-V740 HydrophobicContact CG2-CG2 4.16Å
725A96.5Very high90.9Very high0 Ų048.8 Ų48.80%030%0.302CS..EExtended strand (participates in β ladder)trans-100.9143.6-178.300000111.8L456 I463 A464 L468 I478 D479 F480L456-A725 HydrophobicContact CD1-CB 3.57Å; I463-A725 WeakPolarHBondContact CA-O 3.46Å; I463-A725 WeakPolarHBondContact CG1-O 3.39Å; A464-A725 HydrophobicContact CB-CB 4.23Å; A464-A725 PolarHBondContact N-O 3.47Å; A464-A725 PolarHBondContact O-N 3Å; A464-A725 VanDerWaalsContact O-N 3.11Å; L468-A725 HydrophobicContact CD2-CB 3.8Å; I478-A725 HydrophobicContact CD1-CB 3.88Å; D479-A725 CarbonylContact O-C 3.59Å; D479-A725 WeakPolarHBondContact O-CA 3.42Å; F480-A725 HydrophobicContact CD1-CB 3.92Å; F480-A725 HydrophobicContact CE1-CB 3.74Å; F480-A725 HydrophobicContact CZ-CB 4.31Å
726T95.1Very high91Very high2 Ų246.1 Ų46.11%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-131.3154.3176.153.80000109.8I463 D479I463-T726 HydrophobicContact CD1-CG2 4.38Å; I463-T726 HydrophobicContact CG1-CG2 4.02Å; D479-T726 PolarHBondContact N-O 3.27Å; D479-T726 PolarHBondContact O-N 3Å; D479-T726 PolarHBondContact O-OG1 3.4Å
727P92.7Very high91.1Very high30 Ų3044.5 Ų44.520%0.19527%0.266CS..EExtended strand (participates in β ladder)trans-55.1145.4169.1-23.234.4000110.2L456 D462 S729 S730L456-P727 HydrophobicContact CB-CG 4.38Å; L456-P727 HydrophobicContact CD2-CG 4.27Å; D462-P727 WeakPolarHBondContact O-CD 3.17Å; P727-S729 PolarHBondContact O-N 3.5Å; P727-S730 WeakPolarHBondContact O-CB 3.45Å; P727-S730 PolarHBondContact O-N 3.29Å
728K86.7Confident91.1Very high121 Ų12148.3 Ų48.353%0.52629%0.286SS..THydrogen-bonded Turntrans-56133.2-177.1-161.4170.1-171.5173.70110.6E476 S730E476-K728 PolarHBondContact O-NZ 3.35Å; K728-S730 VanDerWaalsContact C-N 3.25Å; K728-S730 PolarHBondContact O-N 3.05Å
729S82Confident91.3Very high109 Ų10947.1 Ų47.176%0.76228%0.281SS*.THydrogen-bonded Turntrans61.525-176.9-51.10000115.3D479 P727D479-S729 PolarHBondContact OD2-N 3.11Å; P727-S729 PolarHBondContact O-N 3.5Å
730S85.1Confident91.5Very high32 Ų3241.6 Ų41.622%0.22424%0.242CC..  trans-68.4138.1173.9178.80000112.2P727 K728 L732 R733P727-S730 WeakPolarHBondContact O-CB 3.45Å; P727-S730 PolarHBondContact O-N 3.29Å; K728-S730 VanDerWaalsContact C-N 3.25Å; K728-S730 PolarHBondContact O-N 3.05Å; S730-L732 PolarHBondContact O-N 3.49Å; S730-L732 PolarHBondContact OG-N 2.91Å; S730-R733 VanDerWaalsContact O-CB 3.32Å; S730-R733 WeakPolarHBondContact O-CB 3.45Å; S730-R733 PolarHBondContact O-N 3.19Å; S730-R733 VanDerWaalsContact O-N 3.17Å
731A86.1Confident91.7Very high99 Ų9943 Ų4382%0.81825%0.25SS*.THydrogen-bonded Turntrans-61.1-25.3174.300000113R733A731-R733 VanDerWaalsContact C-N 3.28Å; A731-R733 PolarHBondContact O-N 3.26Å
732L86.9Confident91.7Very high22 Ų2247.3 Ų47.312%0.11527%0.267CS..Hα-helixtrans-71.4-22.1179.2-67.7173.1000113I384 S730 N734 A735 V736I384-L732 HydrophobicContact CD1-CD1 4.2Å; I384-L732 HydrophobicContact CG2-CD1 4.32Å; S730-L732 PolarHBondContact O-N 3.49Å; S730-L732 PolarHBondContact OG-N 2.91Å; L732-N734 PolarHBondContact O-N 3.31Å; L732-A735 PolarHBondContact O-N 3.11Å; L732-V736 HydrophobicContact CB-CG2 4.4Å; L732-V736 WeakPolarHBondContact O-CB 3.48Å; L732-V736 VanDerWaalsContact O-CG2 3.24Å; L732-V736 WeakPolarHBondContact O-CG2 3.48Å; L732-V736 PolarHBondContact O-N 3.17Å
733R88.6Confident91.7Very high100 Ų10047.2 Ų47.238%0.37727%0.267SS..Hα-helixtrans-54.3-50.3-172.7178.7-170167.5173.5-6.5112.1D479 S730 A731 N737D479-R733 HydrophobicContact CB-CG 4.4Å; D479-R733 IonicContact OD1-NH1 2.68Å; D479-R733 PolarHBondContact OD1-NH1 3.26Å; D479-R733 IonicContact OD2-CZ 2.9Å; D479-R733 IonicContact OD2-NH1 3.9Å; D479-R733 PolarHBondContact OD2-NH1 3.06Å; S730-R733 VanDerWaalsContact O-CB 3.32Å; S730-R733 WeakPolarHBondContact O-CB 3.45Å; S730-R733 PolarHBondContact O-N 3.19Å; S730-R733 VanDerWaalsContact O-N 3.17Å; A731-R733 VanDerWaalsContact C-N 3.28Å; A731-R733 PolarHBondContact O-N 3.26Å; R733-N737 WeakPolarHBondContact O-CB 3.46Å; R733-N737 PolarHBondContact O-N 3.47Å
734N89Confident91.6Very high115 Ų11551.3 Ų51.362%0.61529%0.288SS*.Hα-helixtrans-67.9-43.9-175.2-70.7-15.1000111.6L732 N737 L738L732-N734 PolarHBondContact O-N 3.31Å; N734-N737 PolarHBondContact O-N 3.38Å; N734-L738 WeakPolarHBondContact O-CG 3.39Å; N734-L738 PolarHBondContact O-N 2.91Å
735A90.8Very high91.4Very high40 Ų4059.1 Ų59.133%0.33133%0.325SS..Hα-helixtrans-62.9-45.117800000111.8V425 L732 L738 A739V425-A735 HydrophobicContact CG1-CB 4.08Å; V425-A735 HydrophobicContact CG2-CB 4.28Å; L732-A735 PolarHBondContact O-N 3.11Å; A735-L738 PolarHBondContact O-N 3.3Å; A735-A739 WeakPolarHBondContact O-CB 3.23Å; A735-A739 PolarHBondContact O-N 3.24Å
736V93.3Very high91.3Very high1 Ų164.6 Ų64.61%0.00635%0.351CS..Hα-helixtrans-64.4-42.6176.51720000111I421 I463 V724 L732 L738 A739 V740I421-V736 HydrophobicContact CG2-CG1 4.47Å; I421-V736 HydrophobicContact CG2-CG2 4.23Å; I463-V736 HydrophobicContact CD1-CG1 4.23Å; I463-V736 HydrophobicContact CD1-CG2 3.7Å; V724-V736 HydrophobicContact CB-CG1 4.01Å; V724-V736 HydrophobicContact CG1-CG1 3.75Å; L732-V736 HydrophobicContact CB-CG2 4.4Å; L732-V736 WeakPolarHBondContact O-CB 3.48Å; L732-V736 VanDerWaalsContact O-CG2 3.24Å; L732-V736 WeakPolarHBondContact O-CG2 3.48Å; L732-V736 PolarHBondContact O-N 3.17Å; V736-L738 PolarHBondContact O-N 3.1Å; V736-A739 PolarHBondContact O-N 2.98Å; V736-V740 HydrophobicContact CG1-CG2 4.39Å; V736-V740 WeakPolarHBondContact O-CG2 3.48Å; V736-V740 PolarHBondContact O-N 2.86Å
737N94.1Very high91.3Very high36 Ų3665.8 Ų65.819%0.19336%0.363CS..Hα-helixtrans-62.3-43.2179.2-172.257.7000112.1K482 R733 N734 V740 L741K482-N737 WeakPolarHBondContact CG-OD1 3.5Å; K482-N737 PolarHBondContact N-OD1 2.87Å; R733-N737 WeakPolarHBondContact O-CB 3.46Å; R733-N737 PolarHBondContact O-N 3.47Å; N734-N737 PolarHBondContact O-N 3.38Å; N737-V740 PolarHBondContact O-N 2.97Å; N737-L741 WeakPolarHBondContact O-CG 3.11Å; N737-L741 PolarHBondContact O-N 3.15Å; N737-L741 VanDerWaalsContact O-N 3.13Å
738L93.6Very high91.3Very high114 Ų11466.1 Ų66.160%0.59736%0.363SS*.Hα-helixtrans-65.7-39.6174.3-69.5173.8000111.9N734 A735 V736 L741 K742N734-L738 WeakPolarHBondContact O-CG 3.39Å; N734-L738 PolarHBondContact O-N 2.91Å; A735-L738 PolarHBondContact O-N 3.3Å; V736-L738 PolarHBondContact O-N 3.1Å; L738-L741 PolarHBondContact O-N 3.26Å; L738-K742 WeakPolarHBondContact O-CB 3.46Å; L738-K742 PolarHBondContact O-N 3.47Å
739A94.1Very high91.7Very high7 Ų760.6 Ų60.66%0.05834%0.339CS..Hα-helixtrans-60.6-48.2175.500000111.2H424 V425 A735 V736 L741 K742 L743H424-A739 HydrophobicContact CB-CB 3.98Å; V425-A739 HydrophobicContact CG2-CB 4.16Å; A735-A739 WeakPolarHBondContact O-CB 3.23Å; A735-A739 PolarHBondContact O-N 3.24Å; V736-A739 PolarHBondContact O-N 2.98Å; A739-L741 VanDerWaalsContact C-N 3.33Å; A739-L741 PolarHBondContact O-N 3.01Å; A739-K742 PolarHBondContact O-N 3.22Å; A739-L743 VanDerWaalsContact O-CG 3.29Å; A739-L743 WeakPolarHBondContact O-CG 3.39Å; A739-L743 PolarHBondContact O-N 3.12Å
740V94.8Very high92.2Very high2 Ų259.7 Ų59.71%0.01233%0.326CS..Hα-helixtrans-60-42.2178.5171.70000111.8I421 F484 V724 V736 N737 L743 N744I421-V740 HydrophobicContact CD1-CG2 4.26Å; F484-V740 HydrophobicContact CB-CG1 3.85Å; V724-V740 HydrophobicContact CG2-CG2 4.16Å; V736-V740 HydrophobicContact CG1-CG2 4.39Å; V736-V740 WeakPolarHBondContact O-CG2 3.48Å; V736-V740 PolarHBondContact O-N 2.86Å; N737-V740 PolarHBondContact O-N 2.97Å; V740-L743 PolarHBondContact O-N 3.04Å; V740-N744 PolarHBondContact O-N 3.29Å
741L94.4Very high92.7Very high62 Ų6265.2 Ų65.233%0.32535%0.346SS..Hα-helixtrans-62.1-44.7176-72.7172.1000111.9K482 N737 L738 A739 L743 N744 E745K482-L741 HydrophobicContact CB-CD2 4.22Å; K482-L741 HydrophobicContact CG-CD2 4.18Å; N737-L741 WeakPolarHBondContact O-CG 3.11Å; N737-L741 PolarHBondContact O-N 3.15Å; N737-L741 VanDerWaalsContact O-N 3.13Å; L738-L741 PolarHBondContact O-N 3.26Å; A739-L741 VanDerWaalsContact C-N 3.33Å; A739-L741 PolarHBondContact O-N 3.01Å; L741-L743 VanDerWaalsContact C-N 3.35Å; L741-L743 PolarHBondContact O-N 3.27Å; L741-N744 WeakPolarHBondContact O-CB 3.26Å; L741-N744 PolarHBondContact O-N 2.89Å; L741-N744 VanDerWaalsContact O-N 3.13Å; L741-E745 WeakPolarHBondContact O-CG 3.5Å; L741-E745 PolarHBondContact O-N 2.96Å
742K94.6Very high93.1Very high100 Ų10061.2 Ų61.244%0.43531%0.311SS..Hα-helixtrans-62.9-40.3177.6-171.6170.2-176.6172.70112.5L738 A739 N744 E745 Q746L738-K742 WeakPolarHBondContact O-CB 3.46Å; L738-K742 PolarHBondContact O-N 3.47Å; A739-K742 PolarHBondContact O-N 3.22Å; K742-N744 VanDerWaalsContact C-N 3.25Å; K742-N744 PolarHBondContact O-N 2.97Å; K742-E745 PolarHBondContact O-N 2.86Å; K742-Q746 WeakPolarHBondContact O-CB 3.39Å; K742-Q746 VanDerWaalsContact O-CG 3.26Å; K742-Q746 WeakPolarHBondContact O-CG 3.27Å; K742-Q746 PolarHBondContact O-N 3.01Å
743L94.9Very high93.5Very high0 Ų062.5 Ų62.50%032%0.315CS..Hα-helixtrans-63.3-33.7175.1-67.5-178.6000112.2L417 E420 I421 A739 V740 L741 L748 L749L417-L743 HydrophobicContact CD1-CD1 3.87Å; E420-L743 HydrophobicContact CB-CD1 4.06Å; E420-L743 HydrophobicContact CB-CD2 4.16Å; I421-L743 HydrophobicContact CG1-CD1 4.19Å; A739-L743 VanDerWaalsContact O-CG 3.29Å; A739-L743 WeakPolarHBondContact O-CG 3.39Å; A739-L743 PolarHBondContact O-N 3.12Å; V740-L743 PolarHBondContact O-N 3.04Å; L741-L743 VanDerWaalsContact C-N 3.35Å; L741-L743 PolarHBondContact O-N 3.27Å; L743-L748 HydrophobicContact CD2-CB 4.38Å; L743-L748 HydrophobicContact CD2-CD2 3.58Å; L743-L748 PolarHBondContact O-N 2.97Å; L743-L749 HydrophobicContact CB-CD1 4.49Å; L743-L749 HydrophobicContact CB-CD2 4.06Å; L743-L749 HydrophobicContact CB-CG 4.01Å; L743-L749 HydrophobicContact CD1-CD2 4.47Å; L743-L749 PolarHBondContact O-N 3.5Å
744N93.4Very high93.7Very high85 Ų8561.2 Ų61.246%0.45532%0.316SS..Hα-helixtrans-71.8-48.6175.3-164.734.3000111.7V740 L741 K742 Q746 G747 L749V740-N744 PolarHBondContact O-N 3.29Å; L741-N744 WeakPolarHBondContact O-CB 3.26Å; L741-N744 PolarHBondContact O-N 2.89Å; L741-N744 VanDerWaalsContact O-N 3.13Å; K742-N744 VanDerWaalsContact C-N 3.25Å; K742-N744 PolarHBondContact O-N 2.97Å; N744-Q746 PolarHBondContact O-N 3.01Å; N744-G747 PolarHBondContact O-N 3.38Å; N744-L749 HydrophobicContact CB-CD1 3.77Å
745E93.6Very high93.9Very high164 Ų16459.5 Ų59.577%0.76630%0.303SS*.Hα-helixtrans-59.4-33.7178.1-73.3173.7-17800112.8L741 K742 G747L741-E745 WeakPolarHBondContact O-CG 3.5Å; L741-E745 PolarHBondContact O-N 2.96Å; K742-E745 PolarHBondContact O-N 2.86Å; E745-G747 VanDerWaalsContact C-N 3.28Å; E745-G747 PolarHBondContact O-N 3.49Å
746Q94.7Very high94.1Very high116 Ų11657.8 Ų57.854%0.54229%0.288SS..THydrogen-bonded Turntrans-80.2-5.1176.9-69.1179.2-7.800114K742 N744 L748K742-Q746 WeakPolarHBondContact O-CB 3.39Å; K742-Q746 VanDerWaalsContact O-CG 3.26Å; K742-Q746 WeakPolarHBondContact O-CG 3.27Å; K742-Q746 PolarHBondContact O-N 3.01Å; N744-Q746 PolarHBondContact O-N 3.01Å; Q746-L748 PolarHBondContact O-N 3.45Å
747G93.3Very high94Very high26 Ų2657.8 Ų57.827%0.26829%0.288SS..THydrogen-bonded Turntrans67.615.8-174.700000114.1N744 E745 D750 K751N744-G747 PolarHBondContact O-N 3.38Å; E745-G747 VanDerWaalsContact C-N 3.28Å; E745-G747 PolarHBondContact O-N 3.49Å; G747-D750 PolarHBondContact O-N 3.44Å; G747-K751 PolarHBondContact O-N 3.24Å; G747-K751 VanDerWaalsContact O-N 3.11Å
748L94.4Very high93.8Very high38 Ų3861.1 Ų61.120%0.19930%0.298CS..Hα-helixtrans-70.2-35.6-179.5-16476.1000111.2E420 L743 Q746 D750 K751 L752E420-L748 HydrophobicContact CB-CD2 4.28Å; E420-L748 HydrophobicContact CG-CD2 3.66Å; L743-L748 HydrophobicContact CD2-CB 4.38Å; L743-L748 HydrophobicContact CD2-CD2 3.58Å; L743-L748 PolarHBondContact O-N 2.97Å; Q746-L748 PolarHBondContact O-N 3.45Å; L748-D750 VanDerWaalsContact C-N 3.31Å; L748-D750 PolarHBondContact O-N 3.29Å; L748-K751 HydrophobicContact CD1-CD 4.33Å; L748-K751 WeakPolarHBondContact O-CB 3.48Å; L748-K751 PolarHBondContact O-N 3.47Å; L748-L752 WeakPolarHBondContact O-CG 3.46Å; L748-L752 PolarHBondContact O-N 3.37Å
749L94.2Very high93.5Very high4 Ų461.6 Ų61.62%0.02130%0.302CS..Hα-helixtrans-60.9-40.9176.7-62.9179.2000111.8L417 F484 L743 N744 L752 K753L417-L749 HydrophobicContact CD1-CD2 3.72Å; F484-L749 HydrophobicContact CB-CD1 4.02Å; F484-L749 HydrophobicContact CB-CD2 4.47Å; L743-L749 HydrophobicContact CB-CD1 4.49Å; L743-L749 HydrophobicContact CB-CD2 4.06Å; L743-L749 HydrophobicContact CB-CG 4.01Å; L743-L749 HydrophobicContact CD1-CD2 4.47Å; L743-L749 PolarHBondContact O-N 3.5Å; N744-L749 HydrophobicContact CB-CD1 3.77Å; L749-L752 PolarHBondContact O-N 3.41Å; L749-K753 WeakPolarHBondContact O-CB 3.45Å; L749-K753 PolarHBondContact O-N 3.02Å
750D93.2Very high93.1Very high91 Ų9165.2 Ų65.249%0.48732%0.316SS..Hα-helixtrans-67.9-41.9175.6-68.1-34.4000111.6G747 L748 L752 K753 N754G747-D750 PolarHBondContact O-N 3.44Å; L748-D750 VanDerWaalsContact C-N 3.31Å; L748-D750 PolarHBondContact O-N 3.29Å; D750-L752 VanDerWaalsContact C-N 3.34Å; D750-L752 PolarHBondContact O-N 3.38Å; D750-K753 WeakPolarHBondContact O-CB 3.42Å; D750-K753 PolarHBondContact O-N 2.85Å; D750-N754 PolarHBondContact O-N 3.46Å
751K95.4Very high92.6Very high148 Ų14866.5 Ų66.564%0.64333%0.33SS*.Hα-helixtrans-59.2-44.2174.1-172.8179.6-178.3178.50111.8G747 L748 N754 K755G747-K751 PolarHBondContact O-N 3.24Å; G747-K751 VanDerWaalsContact O-N 3.11Å; L748-K751 HydrophobicContact CD1-CD 4.33Å; L748-K751 WeakPolarHBondContact O-CB 3.48Å; L748-K751 PolarHBondContact O-N 3.47Å; K751-N754 PolarHBondContact O-N 3.03Å; K751-K755 WeakPolarHBondContact O-CB 3.39Å; K751-K755 PolarHBondContact O-N 2.78Å; K751-K755 VanDerWaalsContact O-N 3.08Å
752L94.9Very high92.2Very high15 Ų1568 Ų688%0.07934%0.335CS..Hα-helixtrans-66.4-38.3175.8-71.3177.2000111.6Y413 D416 L748 L749 D750 K755 W756Y413-L752 HydrophobicContact CD2-CB 3.89Å; Y413-L752 HydrophobicContact CE2-CB 3.54Å; D416-L752 HydrophobicContact CB-CD1 4.36Å; D416-L752 HydrophobicContact CB-CD2 3.81Å; L748-L752 WeakPolarHBondContact O-CG 3.46Å; L748-L752 PolarHBondContact O-N 3.37Å; L749-L752 PolarHBondContact O-N 3.41Å; D750-L752 VanDerWaalsContact C-N 3.34Å; D750-L752 PolarHBondContact O-N 3.38Å; L752-K755 PolarHBondContact O-N 3.22Å; L752-W756 VanDerWaalsContact O-CD1 3.24Å; L752-W756 PolarHBondContact O-N 2.97Å
753K93.8Very high91.5Very high49 Ų4963.9 Ų63.921%0.21332%0.318CS..Hα-helixtrans-61.6-47.2175.8-175-178.9176.2-174.90110.4Y413 M485 L749 D750 K755 W756 W757Y413-K753 HydrophobicContact CE2-CB 4.41Å; M485-K753 HydrophobicContact CE-CD 4.47Å; M485-K753 HydrophobicContact CE-CG 4.34Å; L749-K753 WeakPolarHBondContact O-CB 3.45Å; L749-K753 PolarHBondContact O-N 3.02Å; D750-K753 WeakPolarHBondContact O-CB 3.42Å; D750-K753 PolarHBondContact O-N 2.85Å; K753-K755 PolarHBondContact O-N 3.15Å; K753-W756 PolarHBondContact O-N 2.9Å; K753-W757 HydrophobicContact CG-CD2 4.43Å; K753-W757 HydrophobicContact CG-CE3 4.18Å; K753-W757 WeakPolarHBondContact O-CB 3.42Å; K753-W757 PolarHBondContact O-N 3Å
754N93Very high90Very high73 Ų7367.5 Ų67.539%0.3936%0.356SS..Hα-helixtrans-60-45.4178.1-69.4-16.3000112.3D750 K751 W756 Y758 D759D750-N754 PolarHBondContact O-N 3.46Å; K751-N754 PolarHBondContact O-N 3.03Å; N754-W756 VanDerWaalsContact C-N 3.31Å; N754-W756 PolarHBondContact O-N 3.29Å; N754-Y758 HydrophobicContact CB-CD2 4.49Å; N754-Y758 PolarHBondContact O-N 3.35Å; N754-Y758 WeakPolarHBondContact OD1-CD2 3.29Å; N754-D759 PolarHBondContact O-N 3.28Å
755K94.1Very high88.1Confident78 Ų7868.1 Ų68.134%0.33937%0.367SS..Hα-helixtrans-54.5-42.8176.8-179.6-174.5175.5-168.30113.3D416 K751 L752 K753 D759 K760D416-K755 IonicContact OD1-NZ 2.8Å; D416-K755 IonicContact OD2-NZ 3.55Å; D416-K755 PolarHBondContact OD2-NZ 3.39Å; K751-K755 WeakPolarHBondContact O-CB 3.39Å; K751-K755 PolarHBondContact O-N 2.78Å; K751-K755 VanDerWaalsContact O-N 3.08Å; L752-K755 PolarHBondContact O-N 3.22Å; K753-K755 PolarHBondContact O-N 3.15Å; K755-D759 WeakPolarHBondContact CA-OD2 3.41Å; K755-K760 WeakPolarHBondContact O-CG 3.42Å
756W94.1Very high85.7Confident5 Ų563.7 Ų63.72%0.01937%0.365CS..Hα-helixtrans-95.1-22.6-171.2-72.6106.5000114.5P393 M396 E411 G412 Y413 D416 L752 K753 N754 K760P393-W756 HydrophobicContact CB-CB 4.36Å; P393-W756 HydrophobicContact CB-CE3 4.43Å; M396-W756 HydrophobicContact CE-CE3 4.06Å; M396-W756 HydrophobicContact CE-CZ3 3.58Å; E411-W756 HydrophobicContact CB-CH2 4.08Å; E411-W756 HydrophobicContact CG-CH2 4.37Å; G412-W756 VanDerWaalsContact C-CZ2 3.48Å; G412-W756 VanDerWaalsContact CA-CH2 3.41Å; G412-W756 VanDerWaalsContact CA-CZ2 3.45Å; G412-W756 VanDerWaalsContact N-CH2 3.25Å; Y413-W756 AromaticContact CD2-CD1 3.99Å; D416-W756 WeakPolarHBondContact OD2-CZ2 3.49Å; D416-W756 PolarHBondContact OD2-NE1 3.2Å; L752-W756 VanDerWaalsContact O-CD1 3.24Å; L752-W756 PolarHBondContact O-N 2.97Å; K753-W756 PolarHBondContact O-N 2.9Å; N754-W756 VanDerWaalsContact C-N 3.31Å; N754-W756 PolarHBondContact O-N 3.29Å; W756-K760 HydrophobicContact CE3-CD 4.01Å; W756-K760 HydrophobicContact CZ3-CD 4.14Å
757W92.1Very high82.8Confident1 Ų160.3 Ų60.30%0.00436%0.362CS..Hα-helixtrans-100.6-47.3178.4-85.1-106.8000113.6P393 Y394 Y413 M485 T697 K753P393-W757 HydrophobicContact CG-CD2 4.17Å; P393-W757 HydrophobicContact CG-CE3 4.12Å; P393-W757 HydrophobicContact CG-CH2 3.61Å; P393-W757 HydrophobicContact CG-CZ2 3.66Å; P393-W757 HydrophobicContact CG-CZ3 3.86Å; Y394-W757 HydrophobicContact CD1-CH2 4.12Å; Y394-W757 AromaticContact CE1-CH2 3.56Å; Y394-W757 HydrophobicContact CE1-CH2 3.56Å; Y394-W757 AromaticContact CE1-CZ2 3.97Å; Y394-W757 HydrophobicContact CE1-CZ2 3.97Å; Y394-W757 HydrophobicContact CE2-CZ2 4.46Å; Y394-W757 AromaticContact CZ-CH2 3.85Å; Y394-W757 AromaticContact CZ-CZ2 3.76Å; Y413-W757 AromaticContact CD2-CZ3 3.7Å; Y413-W757 HydrophobicContact CD2-CZ3 3.7Å; Y413-W757 HydrophobicContact CE2-CZ3 4.43Å; Y413-W757 HydrophobicContact CG-CH2 4.3Å; Y413-W757 AromaticContact CG-CZ3 3.86Å; Y413-W757 HydrophobicContact CG-CZ3 3.86Å; M485-W757 HydrophobicContact CE-CH2 4.19Å; M485-W757 HydrophobicContact CE-CZ3 4.33Å; T697-W757 PolarHBondContact O-NE1 3.28Å; K753-W757 HydrophobicContact CG-CD2 4.43Å; K753-W757 HydrophobicContact CG-CE3 4.18Å; K753-W757 WeakPolarHBondContact O-CB 3.42Å; K753-W757 PolarHBondContact O-N 3Å
758Y88.6Confident80Confident105 Ų10561.9 Ų61.941%0.41238%0.378SS..THydrogen-bonded Turntrans-104.4-46.9-167.9-55.8-60.4000112.6N754 K760 G761N754-Y758 HydrophobicContact CB-CD2 4.49Å; N754-Y758 PolarHBondContact O-N 3.35Å; N754-Y758 WeakPolarHBondContact OD1-CD2 3.29Å; Y758-K760 PolarHBondContact O-N 2.92Å; Y758-G761 PolarHBondContact O-N 3.24Å
759D88.7Confident77.5Confident125 Ų12567.8 Ų67.867%0.66841%0.41SS*.THydrogen-bonded Turntrans-64.6-30.3-178.6-62.9-11.9000112.2N754 K755N754-D759 PolarHBondContact O-N 3.28Å; K755-D759 WeakPolarHBondContact CA-OD2 3.41Å
760K85.1Confident74.7Confident83 Ų8372 Ų7236%0.36144%0.44SS..THydrogen-bonded Turntrans-98.915.7174.9-67.8-176.8178.8-172.70112.9R705 K755 W756 Y758R705-K760 PolarHBondContact NH1-O 3.2Å; K755-K760 WeakPolarHBondContact O-CG 3.42Å; W756-K760 HydrophobicContact CE3-CD 4.01Å; W756-K760 HydrophobicContact CZ3-CD 4.14Å; Y758-K760 PolarHBondContact O-N 2.92Å
761G83.2Confident72.2Confident29 Ų2975.6 Ų75.630%0.29945%0.451SS..  trans-65.3129.2174.600000110.7Y758Y758-G761 PolarHBondContact O-N 3.24Å
762E86.6Confident69.5Low93 Ų9376 Ų7644%0.43546%0.46SS..SBendtrans-93.9-20.7178.7-65.6168.4-155.500112Q704 R705 K706Q704-E762 PolarHBondContact O-N 2.91Å; R705-E762 IonicContact CZ-OE1 2.63Å; R705-E762 IonicContact NH1-OE1 3.87Å; R705-E762 PolarHBondContact NH1-OE1 3.09Å; K706-E762 HydrophobicContact CD-CB 4.29Å; K706-E762 HydrophobicContact CG-CB 3.95Å; K706-E762 PolarHBondContact N-OE2 2.86Å
763C80.4Confident67Low13 Ų1379 Ų799%0.08848%0.482CS..SBendtrans-88.4109.2175.5-65.80000108.8E703 Q704 R705 C708 S765E703-C763 PolarHBondContact O-SG 3.48Å; Q704-C763 PolarHBondContact O-N 3.35Å; Q704-C763 VanDerWaalsContact O-N 3.09Å; Q704-C763 PolarHBondContact OE1-O 2.85Å; R705-C763 PolarHBondContact N-SG 3.21Å; R705-C763 PolarHBondContact O-SG 2.76Å; C708-C763 WeakPolarHBondContact CA-SG 3.31Å; C708-C763 HydrophobicContact CB-CB 3.88Å; C708-C763 WeakPolarHBondContact CB-SG 3.27Å; C708-C763 WeakPolarHBondContact SG-CA 3.34Å; C708-C763 WeakPolarHBondContact SG-CB 3.44Å; C708-C763 CovalentContact SG-SG 2.01Å; C708-C763 PolarHBondContact SG-SG 2.71Å; C763-S765 PolarHBondContact O-N 3.25Å
764G62.8Low64.5Low77 Ų7783 Ų8379%0.79452%0.515SS*.  trans-6396.1178.900000111.3G766G764-G766 VanDerWaalsContact C-N 3.3Å; G764-G766 PolarHBondContact O-N 2.83Å
765S53.2Low62.6Low97 Ų9786.8 Ų86.868%0.67853%0.528SS*.THydrogen-bonded Turntrans-84.176.7165.5-52.50000107.5Q704 C763Q704-S765 PolarHBondContact NE2-OG 3.48Å; Q704-S765 VanDerWaalsContact NE2-OG 3.14Å; Q704-S765 PolarHBondContact OE1-OG 2.79Å; C763-S765 PolarHBondContact O-N 3.25Å
766G44.5Very low60.7Low71 Ų7188.9 Ų88.973%0.73255%0.55SS*.THydrogen-bonded Turntrans152.613.2175.800000119.6G764G764-G766 VanDerWaalsContact C-N 3.3Å; G764-G766 PolarHBondContact O-N 2.83Å
767G33.3Very low58.8Low46 Ų4692.8 Ų92.847%0.47458%0.577SS.*SBendtrans-139.5-4.5-178.900000117.2
768G35.3Very low57Low59 Ų5995.5 Ų95.561%0.60860%0.596SS**SBendtrans-92.4-39177.300000113.4
769D41.8Very low55.4Low162 Ų16297.6 Ų97.687%0.86661%0.613SS**SBendtrans-87.3-15-176.4-62.7-30000113.1
770S35.1Very low53.4Low92 Ų9298.1 Ų98.164%0.64361%0.611SS**SBendtrans-91.6-8.5177.155.20000114
771K40.3Very low51.7Low166 Ų16696.9 Ų96.972%0.72261%0.61SS**SBendtrans-9990.5166.9-77.5-174.6177.51800108.1S773K771-S773 PolarHBondContact O-N 2.96Å
772N39.2Very low49.5Very low157 Ų157105.4 Ų105.484%0.8464%0.643SS**  trans-57.982.6160.4-83.3-11.1000108.7C774N772-C774 PolarHBondContact O-N 3.4Å
773S41.6Very low47.6Very low78 Ų78106 Ų10655%0.54565%0.653SS.*  trans-69.3113.3159.361.70000105.8K771 K775K771-S773 PolarHBondContact O-N 2.96Å; S773-K775 VanDerWaalsContact C-N 3.28Å; S773-K775 PolarHBondContact O-N 3.09Å
774C42Very low45.9Very low134 Ų134110.9 Ų110.991%0.90568%0.683SS**  trans-53.699.3162.5-72.90000107.3N772N772-C774 PolarHBondContact O-N 3.4Å
775K53.6Low45Very low152 Ų152112.8 Ų112.866%0.66168%0.676SS**PPolyproline II helixtrans-79.8132.6175.2-72.5-175.8-179.4177.70107.6S773S773-K775 VanDerWaalsContact C-N 3.28Å; S773-K775 PolarHBondContact O-N 3.09Å
776P54.1Low44.5Very low121 Ų121113.7 Ų113.779%0.78668%0.676SS**PPolyproline II helixtrans-62.3141.8168.426.2-31.4000109.3S778P776-S778 PolarHBondContact O-N 2.7Å
777C54.2Low44.5Very low87 Ų87116.4 Ų116.459%0.58867%0.673SS**PPolyproline II helixtrans-60.7134.8171-71.70000109.1
778S53.1Low45.2Very low59 Ų59121.1 Ų121.141%0.41369%0.686SS.*PPolyproline II helixtrans-73.7153.6174.742.80000111.2P776 E780 T781 Q782P776-S778 PolarHBondContact O-N 2.7Å; S778-E780 PolarHBondContact O-N 3.39Å; S778-E780 VanDerWaalsContact O-N 3.14Å; S778-T781 PolarHBondContact N-OG1 3.36Å; S778-T781 PolarHBondContact O-N 3.14Å; S778-T781 PolarHBondContact O-OG1 2.87Å; S778-T781 PolarHBondContact OG-OG1 3.14Å; S778-T781 VanDerWaalsContact OG-OG1 3.13Å; S778-Q782 PolarHBondContact O-N 2.93Å
779I54.5Low45.9Very low148 Ų148125.5 Ų125.576%0.75969%0.692SS**G310 helixtrans-58.1-25173.2-65.9166.8000111.8T781I779-T781 PolarHBondContact O-N 3.31Å
780E48.7Very low46.2Very low137 Ų137122.7 Ų122.764%0.6468%0.678SS**G310 helixtrans-69.7-12.1175.5-67.5177.9169.200113.6S778S778-E780 PolarHBondContact O-N 3.39Å; S778-E780 VanDerWaalsContact O-N 3.14Å
781T47.6Very low47.2Very low56 Ų56125.3 Ų125.334%0.34468%0.681SS.*G310 helixtrans-118.72.7-179.846.80000114.1P501 L614 S778 I779P501-T781 HydrophobicContact CG-CG2 4.17Å; L614-T781 HydrophobicContact CD2-CG2 4.28Å; S778-T781 PolarHBondContact N-OG1 3.36Å; S778-T781 PolarHBondContact O-N 3.14Å; S778-T781 PolarHBondContact O-OG1 2.87Å; S778-T781 PolarHBondContact OG-OG1 3.14Å; S778-T781 VanDerWaalsContact OG-OG1 3.13Å; I779-T781 PolarHBondContact O-N 3.31Å
782Q37.2Very low47.8Very low208 Ų208121.5 Ų121.597%0.97268%0.677SS**  trans-94.90164-80.7-175.4-21.600109.3S778S778-Q782 PolarHBondContact O-N 2.93Å

Retrieved 782 of 782 residues in 1931.6 ms (Link to these results)

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