A0A077ZQG9_TRITR Loading...

Reverse transcriptase RNase H-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZQG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 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
1M57.2Low60.5Low56 Ų5655.6 Ų55.628%0.27628%0.276SS..  0-570-62.4-46.9-91.400113.2Y3 Y4 A5 L11 Y15 L41 L45M1-Y3 PolarHBondContact O-N 2.89Å; M1-Y3 VanDerWaalsContact O-N 3.09Å; M1-Y4 PolarHBondContact O-N 3.45Å; M1-A5 PolarHBondContact O-N 2.93Å; M1-L11 HydrophobicContact CE-CD1 4.38Å; M1-Y15 HydrophobicContact CB-CD2 4.41Å; M1-Y15 HydrophobicContact CB-CE2 3.81Å; M1-Y15 HydrophobicContact CG-CE2 3.99Å; M1-L41 HydrophobicContact CE-CB 3.56Å; M1-L41 HydrophobicContact CE-CD1 3.56Å; M1-L41 HydrophobicContact CE-CD2 3.55Å; M1-L41 HydrophobicContact CE-CG 3.71Å; M1-L45 HydrophobicContact CE-CD1 4.19Å; M1-L45 HydrophobicContact SD-CD1 3.87Å
2N63Low60.5Low116 Ų11660.5 Ų60.562%0.6230%0.297SS*.G310 helixtrans-52.7-35.8179.6-68.4-5.5000114.4Y4 A5N2-Y4 VanDerWaalsContact C-N 3.32Å; N2-Y4 PolarHBondContact O-N 2.96Å; N2-A5 WeakPolarHBondContact O-CB 3.44Å; N2-A5 PolarHBondContact O-N 3.18Å
3Y60.8Low60.8Low23 Ų2363.1 Ų63.19%0.0933%0.325CS..G310 helixtrans-59.9-41.6174.9-173.9-83.9000113.2M1 A5 R6 F7 A176 L177M1-Y3 PolarHBondContact O-N 2.89Å; M1-Y3 VanDerWaalsContact O-N 3.09Å; Y3-A5 VanDerWaalsContact C-N 3.27Å; Y3-A5 PolarHBondContact O-N 3.4Å; Y3-R6 PolarHBondContact O-NE 3.08Å; Y3-F7 AromaticContact CD1-CE2 3.97Å; Y3-F7 HydrophobicContact CD1-CE2 3.97Å; Y3-F7 AromaticContact CE1-CE2 3.67Å; Y3-F7 HydrophobicContact CE1-CE2 3.67Å; Y3-F7 HydrophobicContact CE1-CZ 4.04Å; Y3-A176 HydrophobicContact CD2-CB 4.44Å; Y3-L177 HydrophobicContact CD1-CD1 4.03Å; Y3-L177 HydrophobicContact CD1-CD2 3.11Å; Y3-L177 HydrophobicContact CD1-CG 3.34Å; Y3-L177 HydrophobicContact CD2-CD2 4.45Å; Y3-L177 HydrophobicContact CD2-CG 3.84Å; Y3-L177 HydrophobicContact CE1-CD1 3.35Å; Y3-L177 HydrophobicContact CE1-CD2 3.29Å; Y3-L177 HydrophobicContact CE1-CG 3.22Å; Y3-L177 HydrophobicContact CE2-CD1 3.94Å; Y3-L177 HydrophobicContact CE2-CG 3.71Å; Y3-L177 HydrophobicContact CG-CD2 3.76Å; Y3-L177 HydrophobicContact CG-CG 3.66Å; Y3-L177 VanDerWaalsContact CZ-CG 3.41Å; Y3-L177 WeakPolarHBondContact OH-CD1 3.25Å
4Y64.1Low61.3Low15 Ų1566.1 Ų66.16%0.05933%0.33CS..G310 helixtrans-81-6.5-178.3-61.8-83.2000113.4M1 N2 R6 F7 V8 L45 P85 F88 L177M1-Y4 PolarHBondContact O-N 3.45Å; N2-Y4 VanDerWaalsContact C-N 3.32Å; N2-Y4 PolarHBondContact O-N 2.96Å; Y4-R6 PolarHBondContact O-N 3.3Å; Y4-F7 AromaticContact CD1-CD2 3.85Å; Y4-F7 HydrophobicContact CD1-CD2 3.85Å; Y4-F7 HydrophobicContact CD1-CE2 4.19Å; Y4-F7 HydrophobicContact CG-CD2 4.47Å; Y4-F7 PolarHBondContact O-N 3.04Å; Y4-V8 PolarHBondContact O-N 2.94Å; Y4-V8 VanDerWaalsContact O-N 3.07Å; Y4-L45 HydrophobicContact CD1-CD2 3.54Å; Y4-L45 HydrophobicContact CD2-CD2 3.86Å; Y4-L45 HydrophobicContact CE1-CD2 3.98Å; Y4-L45 HydrophobicContact CE2-CD2 4.28Å; Y4-L45 HydrophobicContact CG-CD2 3.48Å; Y4-L45 VanDerWaalsContact CG-CD2 3.48Å; Y4-P85 HydrophobicContact CE1-CG 4.5Å; Y4-F88 HydrophobicContact CE1-CE2 4.34Å; Y4-F88 AromaticContact CE1-CZ 3.71Å; Y4-F88 HydrophobicContact CE1-CZ 3.71Å; Y4-F88 AromaticContact CZ-CZ 3.79Å; Y4-F88 WeakPolarHBondContact OH-CE1 3.47Å; Y4-F88 WeakPolarHBondContact OH-CZ 3.12Å; Y4-L177 HydrophobicContact CE1-CD2 3.89Å; Y4-L177 HydrophobicContact CE2-CD2 3.96Å; Y4-L177 VanDerWaalsContact CZ-CD2 3.48Å; Y4-L177 WeakPolarHBondContact OH-CD2 3.08Å
5A60Low62Low15 Ų1564.9 Ų64.912%0.12432%0.321CS..G310 helixtrans-59.1-20.4178.900000112.9M1 N2 Y3 L11 Q12M1-A5 PolarHBondContact O-N 2.93Å; N2-A5 WeakPolarHBondContact O-CB 3.44Å; N2-A5 PolarHBondContact O-N 3.18Å; Y3-A5 VanDerWaalsContact C-N 3.27Å; Y3-A5 PolarHBondContact O-N 3.4Å; A5-L11 HydrophobicContact CB-CB 4.32Å; A5-L11 HydrophobicContact CB-CD2 3.81Å; A5-L11 HydrophobicContact CB-CG 4.49Å; A5-Q12 VanDerWaalsContact CB-NE2 3.33Å
6R57.8Low62.8Low130 Ų13063.7 Ų63.749%0.49132%0.324SS..G310 helixtrans-78.6-18.9173.878.3-179.693.1-173.15114.3Y3 Y4Y3-R6 PolarHBondContact O-NE 3.08Å; Y4-R6 PolarHBondContact O-N 3.3Å
7F58.5Low63.7Low18 Ų1860.6 Ų60.68%0.07931%0.309CS..THydrogen-bonded Turntrans-104.3-24.4-179.2-45.7-62.3000112.4Y3 Y4 T50 M82 E83 K84Y3-F7 AromaticContact CD1-CE2 3.97Å; Y3-F7 HydrophobicContact CD1-CE2 3.97Å; Y3-F7 AromaticContact CE1-CE2 3.67Å; Y3-F7 HydrophobicContact CE1-CE2 3.67Å; Y3-F7 HydrophobicContact CE1-CZ 4.04Å; Y4-F7 AromaticContact CD1-CD2 3.85Å; Y4-F7 HydrophobicContact CD1-CD2 3.85Å; Y4-F7 HydrophobicContact CD1-CE2 4.19Å; Y4-F7 HydrophobicContact CG-CD2 4.47Å; Y4-F7 PolarHBondContact O-N 3.04Å; F7-T50 HydrophobicContact CB-CG2 4.01Å; F7-M82 HydrophobicContact CD1-SD 4.29Å; F7-M82 HydrophobicContact CE1-CG 4.02Å; F7-M82 HydrophobicContact CE1-SD 3.88Å; F7-E83 WeakPolarHBondContact CZ-O 3.45Å; F7-K84 HydrophobicContact CD1-CD 4.48Å; F7-K84 HydrophobicContact CD1-CG 4.03Å; F7-K84 HydrophobicContact CE1-CB 4.29Å; F7-K84 HydrophobicContact CE1-CG 3.62Å
8V59.2Low64.6Low8 Ų858.3 Ų58.35%0.04830%0.297CS..SBendtrans-102.9109.7179.1-178.50000108.9Y4 H10 L11 C44 T50Y4-V8 PolarHBondContact O-N 2.94Å; Y4-V8 VanDerWaalsContact O-N 3.07Å; V8-H10 PolarHBondContact O-N 3.1Å; V8-L11 HydrophobicContact CB-CB 4.03Å; V8-L11 HydrophobicContact CB-CD1 3.67Å; V8-L11 HydrophobicContact CB-CG 4.44Å; V8-L11 HydrophobicContact CG1-CB 4.09Å; V8-L11 HydrophobicContact CG1-CD1 4.01Å; V8-L11 HydrophobicContact CG2-CD1 4.03Å; V8-L11 WeakPolarHBondContact O-CB 3.35Å; V8-L11 PolarHBondContact O-N 2.93Å; V8-C44 HydrophobicContact CG1-CB 4.36Å; V8-C44 HydrophobicContact CG2-CB 4.31Å; V8-T50 HydrophobicContact CG2-CG2 3.76Å
9P57.3Low65.3Low94 Ų9459.8 Ų59.861%0.6130%0.302SS*.THydrogen-bonded Turntrans-61.5138.6179.224.6-32.1000110.8L11P9-L11 PolarHBondContact O-N 3.48Å
10H60.9Low66.1Low136 Ų13662.2 Ų62.263%0.6331%0.312SS*.THydrogen-bonded Turntrans61.420.7-179.6-46.7-72.7000115.6V8 Q12 S13 R14V8-H10 PolarHBondContact O-N 3.1Å; H10-Q12 VanDerWaalsContact C-N 3.27Å; H10-Q12 PolarHBondContact O-N 3.14Å; H10-S13 PolarHBondContact O-N 3.16Å; H10-R14 PolarHBondContact O-N 3.16Å; H10-R14 VanDerWaalsContact O-N 3.11Å
11L66.2Low66.9Low1 Ų160.9 Ų60.91%0.00531%0.306CS..Hα-helixtrans-56.7-40.4-179.2-172.8142.5000112.2M1 A5 V8 P9 S13 R14 Y15 L41M1-L11 HydrophobicContact CE-CD1 4.38Å; A5-L11 HydrophobicContact CB-CB 4.32Å; A5-L11 HydrophobicContact CB-CD2 3.81Å; A5-L11 HydrophobicContact CB-CG 4.49Å; V8-L11 HydrophobicContact CB-CB 4.03Å; V8-L11 HydrophobicContact CB-CD1 3.67Å; V8-L11 HydrophobicContact CB-CG 4.44Å; V8-L11 HydrophobicContact CG1-CB 4.09Å; V8-L11 HydrophobicContact CG1-CD1 4.01Å; V8-L11 HydrophobicContact CG2-CD1 4.03Å; V8-L11 WeakPolarHBondContact O-CB 3.35Å; V8-L11 PolarHBondContact O-N 2.93Å; P9-L11 PolarHBondContact O-N 3.48Å; L11-S13 PolarHBondContact O-N 2.93Å; L11-R14 CarbonylContact O-C 3.59Å; L11-R14 PolarHBondContact O-N 2.89Å; L11-Y15 WeakPolarHBondContact O-CB 3.42Å; L11-Y15 PolarHBondContact O-N 3.37Å; L11-L41 HydrophobicContact CD1-CD2 4.03Å; L11-L41 HydrophobicContact CG-CD2 4.33Å
12Q60.5Low68Low114 Ų11463.1 Ų63.153%0.53332%0.323SS..Hα-helixtrans-61.6-44.1-179.2-67.880.9-9.500111.8A5 H10 R14 Y15 A16A5-Q12 VanDerWaalsContact CB-NE2 3.33Å; H10-Q12 VanDerWaalsContact C-N 3.27Å; H10-Q12 PolarHBondContact O-N 3.14Å; Q12-R14 VanDerWaalsContact C-N 3.33Å; Q12-R14 PolarHBondContact O-N 3.27Å; Q12-Y15 PolarHBondContact O-N 3.31Å; Q12-Y15 VanDerWaalsContact O-N 3.14Å; Q12-A16 PolarHBondContact O-N 3.43Å
13S65.4Low69Low94 Ų9463.5 Ų63.566%0.65732%0.319SS*.Hα-helixtrans-64.1-39.6176.1-53.10000111.5H10 L11 Y15H10-S13 PolarHBondContact O-N 3.16Å; L11-S13 PolarHBondContact O-N 2.93Å; S13-Y15 VanDerWaalsContact C-N 3.28Å; S13-Y15 PolarHBondContact O-N 2.83Å
14R67Low70Confident106 Ų10667.7 Ų67.740%0.436%0.358SS..Hα-helixtrans-69.4-25.4174.4-65.3-174.5-173.1-1337.5112.9H10 L11 Q12 P17 E40H10-R14 PolarHBondContact O-N 3.16Å; H10-R14 VanDerWaalsContact O-N 3.11Å; L11-R14 CarbonylContact O-C 3.59Å; L11-R14 PolarHBondContact O-N 2.89Å; Q12-R14 VanDerWaalsContact C-N 3.33Å; Q12-R14 PolarHBondContact O-N 3.27Å; R14-P17 WeakPolarHBondContact O-CD 3.26Å; R14-E40 IonicContact NH1-OE2 2.91Å; R14-E40 PolarHBondContact NH1-OE2 3.48Å
15Y72.1Confident70.8Confident48 Ų4871 Ų7119%0.18840%0.398CS..Hα-helixtrans-87.1-8-175.6-157.3-101.8000113.9M1 L11 Q12 S13 P17 F18 H19M1-Y15 HydrophobicContact CB-CD2 4.41Å; M1-Y15 HydrophobicContact CB-CE2 3.81Å; M1-Y15 HydrophobicContact CG-CE2 3.99Å; L11-Y15 WeakPolarHBondContact O-CB 3.42Å; L11-Y15 PolarHBondContact O-N 3.37Å; Q12-Y15 PolarHBondContact O-N 3.31Å; Q12-Y15 VanDerWaalsContact O-N 3.14Å; S13-Y15 VanDerWaalsContact C-N 3.28Å; S13-Y15 PolarHBondContact O-N 2.83Å; Y15-P17 VanDerWaalsContact C-CD 3.44Å; Y15-P17 VanDerWaalsContact C-N 3.3Å; Y15-F18 HydrophobicContact CD1-CB 4.05Å; Y15-F18 HydrophobicContact CD2-CB 3.93Å; Y15-F18 AromaticContact CD2-CD2 3.5Å; Y15-F18 HydrophobicContact CD2-CD2 3.5Å; Y15-F18 HydrophobicContact CD2-CE2 4.42Å; Y15-F18 HydrophobicContact CD2-CG 4.06Å; Y15-F18 HydrophobicContact CE1-CB 3.85Å; Y15-F18 HydrophobicContact CE2-CB 3.69Å; Y15-F18 AromaticContact CE2-CD2 3.7Å; Y15-F18 HydrophobicContact CE2-CD2 3.7Å; Y15-F18 AromaticContact CE2-CG 3.88Å; Y15-F18 HydrophobicContact CE2-CG 3.88Å; Y15-F18 HydrophobicContact CG-CB 4.09Å; Y15-F18 HydrophobicContact CG-CD2 4.17Å; Y15-F18 WeakPolarHBondContact O-CA 3.4Å; Y15-F18 WeakPolarHBondContact O-CB 3.48Å; Y15-F18 PolarHBondContact O-N 3.36Å; Y15-H19 AromaticContact CD1-CD2 3.48Å; Y15-H19 VanDerWaalsContact CD1-CD2 3.48Å; Y15-H19 WeakPolarHBondContact CD1-CD2 3.37Å; Y15-H19 AromaticContact CD1-CE1 3.83Å; Y15-H19 AromaticContact CD1-CG 3.94Å; Y15-H19 AromaticContact CD1-NE2 3.4Å; Y15-H19 WeakPolarHBondContact CD1-NE2 3.49Å; Y15-H19 AromaticContact CE1-CE1 3.81Å; Y15-H19 AromaticContact CE1-NE2 3.87Å; Y15-H19 PolarHBondContact O-N 2.88Å
16A74.8Confident71.8Confident45 Ų4573.3 Ų73.337%0.37241%0.41SS..Hα-helixtrans-49.7-42.717900000113.8Q12 F18 H19 E20Q12-A16 PolarHBondContact O-N 3.43Å; A16-F18 VanDerWaalsContact C-N 3.33Å; A16-F18 PolarHBondContact O-N 3.07Å; A16-H19 WeakPolarHBondContact O-CB 3.44Å; A16-H19 PolarHBondContact O-N 3.33Å; A16-E20 PolarHBondContact O-N 3.22Å; A16-E20 VanDerWaalsContact O-N 3.1Å
17P78.2Confident72.9Confident12 Ų1272.2 Ų72.28%0.07842%0.42CS..Hα-helixtrans-65-32.3176.4-24.538.6000113.7R14 Y15 E20 L21 L37R14-P17 WeakPolarHBondContact O-CD 3.26Å; Y15-P17 VanDerWaalsContact C-CD 3.44Å; Y15-P17 VanDerWaalsContact C-N 3.3Å; P17-E20 PolarHBondContact O-N 3.13Å; P17-L21 PolarHBondContact O-N 3.22Å; P17-L37 HydrophobicContact CB-CD1 4.08Å; P17-L37 HydrophobicContact CG-CD1 3.63Å
18F80.8Confident74.2Confident19 Ų1980.1 Ų80.18%0.08345%0.449CS..Hα-helixtrans-72-35.8174.6-67.1-64.5000111.9Y15 A16 E20 L21 T22 W30 C34 L37 F38 L41Y15-F18 HydrophobicContact CD1-CB 4.05Å; Y15-F18 HydrophobicContact CD2-CB 3.93Å; Y15-F18 AromaticContact CD2-CD2 3.5Å; Y15-F18 HydrophobicContact CD2-CD2 3.5Å; Y15-F18 HydrophobicContact CD2-CE2 4.42Å; Y15-F18 HydrophobicContact CD2-CG 4.06Å; Y15-F18 HydrophobicContact CE1-CB 3.85Å; Y15-F18 HydrophobicContact CE2-CB 3.69Å; Y15-F18 AromaticContact CE2-CD2 3.7Å; Y15-F18 HydrophobicContact CE2-CD2 3.7Å; Y15-F18 AromaticContact CE2-CG 3.88Å; Y15-F18 HydrophobicContact CE2-CG 3.88Å; Y15-F18 HydrophobicContact CG-CB 4.09Å; Y15-F18 HydrophobicContact CG-CD2 4.17Å; Y15-F18 WeakPolarHBondContact O-CA 3.4Å; Y15-F18 WeakPolarHBondContact O-CB 3.48Å; Y15-F18 PolarHBondContact O-N 3.36Å; A16-F18 VanDerWaalsContact C-N 3.33Å; A16-F18 PolarHBondContact O-N 3.07Å; F18-E20 VanDerWaalsContact C-N 3.3Å; F18-E20 PolarHBondContact O-N 3.07Å; F18-L21 HydrophobicContact CD1-CD1 4.23Å; F18-L21 WeakPolarHBondContact O-CB 3.41Å; F18-L21 PolarHBondContact O-N 3.09Å; F18-T22 PolarHBondContact O-N 3.11Å; F18-W30 HydrophobicContact CD1-CZ3 4.36Å; F18-W30 AromaticContact CE1-CH2 3.64Å; F18-W30 HydrophobicContact CE1-CH2 3.64Å; F18-W30 AromaticContact CE1-CZ3 3.77Å; F18-W30 HydrophobicContact CE1-CZ3 3.77Å; F18-W30 HydrophobicContact CZ-CH2 4.38Å; F18-C34 HydrophobicContact CE1-CB 4.27Å; F18-C34 WeakPolarHBondContact CZ-O 3.33Å; F18-L37 HydrophobicContact CE2-CB 3.91Å; F18-L37 HydrophobicContact CZ-CB 4.11Å; F18-F38 HydrophobicContact CZ-CB 4.02Å; F18-L41 HydrophobicContact CD2-CD1 4.28Å; F18-L41 HydrophobicContact CE2-CD1 3.56Å; F18-L41 HydrophobicContact CZ-CD1 4.35Å
19H77Confident75.4Confident87 Ų8783.6 Ų83.640%0.40347%0.471SS..Hα-helixtrans-62.2-38.5172.7-82-53000111.9Y15 A16 L21 T22 K23Y15-H19 AromaticContact CD1-CD2 3.48Å; Y15-H19 VanDerWaalsContact CD1-CD2 3.48Å; Y15-H19 WeakPolarHBondContact CD1-CD2 3.37Å; Y15-H19 AromaticContact CD1-CE1 3.83Å; Y15-H19 AromaticContact CD1-CG 3.94Å; Y15-H19 AromaticContact CD1-NE2 3.4Å; Y15-H19 WeakPolarHBondContact CD1-NE2 3.49Å; Y15-H19 AromaticContact CE1-CE1 3.81Å; Y15-H19 AromaticContact CE1-NE2 3.87Å; Y15-H19 PolarHBondContact O-N 2.88Å; A16-H19 WeakPolarHBondContact O-CB 3.44Å; A16-H19 PolarHBondContact O-N 3.33Å; H19-L21 VanDerWaalsContact C-N 3.3Å; H19-L21 PolarHBondContact O-N 3.5Å; H19-T22 WeakPolarHBondContact CA-OG1 3.14Å; H19-T22 PolarHBondContact O-N 3.06Å; H19-T22 PolarHBondContact O-OG1 3.12Å; H19-K23 PolarHBondContact O-N 3.38Å
20E80.7Confident76.7Confident106 Ų10683.9 Ų83.950%0.49546%0.46SS..Hα-helixtrans-61.9-36174.8-71.3173.7-179.900112.8A16 P17 F18 T22 K23 T26A16-E20 PolarHBondContact O-N 3.22Å; A16-E20 VanDerWaalsContact O-N 3.1Å; P17-E20 PolarHBondContact O-N 3.13Å; F18-E20 VanDerWaalsContact C-N 3.3Å; F18-E20 PolarHBondContact O-N 3.07Å; E20-T22 PolarHBondContact O-N 3.31Å; E20-K23 PolarHBondContact O-N 2.83Å; E20-T26 PolarHBondContact O-OG1 2.8Å
21L82.8Confident77.9Confident35 Ų3581 Ų8118%0.18345%0.449CS..Hα-helixtrans-68.2-17174-67.2175.9000113.8P17 F18 H19 W30 C34P17-L21 PolarHBondContact O-N 3.22Å; F18-L21 HydrophobicContact CD1-CD1 4.23Å; F18-L21 WeakPolarHBondContact O-CB 3.41Å; F18-L21 PolarHBondContact O-N 3.09Å; H19-L21 VanDerWaalsContact C-N 3.3Å; H19-L21 PolarHBondContact O-N 3.5Å; L21-W30 HydrophobicContact CD1-CE3 4.16Å; L21-W30 HydrophobicContact CD1-CZ3 4.31Å; L21-C34 HydrophobicContact CD1-CB 4.41Å
22T81.9Confident78.9Confident104 Ų10487.2 Ų87.264%0.63848%0.478SS*.THydrogen-bonded Turntrans-98.3-5.3177.4590000114.3F18 H19 E20F18-T22 PolarHBondContact O-N 3.11Å; H19-T22 WeakPolarHBondContact CA-OG1 3.14Å; H19-T22 PolarHBondContact O-N 3.06Å; H19-T22 PolarHBondContact O-OG1 3.12Å; E20-T22 PolarHBondContact O-N 3.31Å
23K82.8Confident80Confident124 Ų12489.9 Ų89.954%0.53948%0.483SS..SBendtrans-71.6141179.6-74.1177.7-176.6174.60110.6H19 E20 G25 T26H19-K23 PolarHBondContact O-N 3.38Å; E20-K23 PolarHBondContact O-N 2.83Å; K23-G25 PolarHBondContact O-N 3.01Å; K23-T26 HydrophobicContact CB-CG2 4.2Å; K23-T26 PolarHBondContact O-OG1 3.47Å
24A81.8Confident80.9Confident110 Ų11085.6 Ų85.691%0.90945%0.453SS*.THydrogen-bonded Turntrans-64.8131.6171.500000109.8
25G81.1Confident81.8Confident86 Ų8687.2 Ų87.289%0.88746%0.459SS*.THydrogen-bonded Turntrans89.4-1.3176.800000116.2K23K23-G25 PolarHBondContact O-N 3.01Å
26T80.8Confident82.5Confident62 Ų6287.5 Ų87.538%0.3847%0.468SS..  trans-89.3131.2170.647.30000110.8E20 K23 W28E20-T26 PolarHBondContact O-OG1 2.8Å; K23-T26 HydrophobicContact CB-CG2 4.2Å; K23-T26 PolarHBondContact O-OG1 3.47Å; T26-W28 PolarHBondContact O-N 2.9Å
27P81.7Confident82.9Confident108 Ų10886.5 Ų86.570%0.70146%0.457SS*.  trans-66.1124175.525.8-31.9000109.9T29P27-T29 PolarHBondContact O-N 3.13Å; P27-T29 PolarHBondContact O-OG1 2.64Å; P27-T29 VanDerWaalsContact O-OG1 3.1Å
28W85.5Confident83.2Confident183 Ų18390 Ų9069%0.69347%0.471SS*.  trans-65.1106.5179.8-171.390000109.9T26 W30T26-W28 PolarHBondContact O-N 2.9Å; W28-W30 HydrophobicContact CH2-CB 3.73Å; W28-W30 HydrophobicContact CH2-CG 4.44Å; W28-W30 HydrophobicContact CZ2-CB 4.19Å; W28-W30 HydrophobicContact CZ2-CE3 4.04Å; W28-W30 HydrophobicContact CZ3-CB 4.05Å
29T84.6Confident83.4Confident82 Ų8293.3 Ų93.350%0.50349%0.486SS..  trans-129.3103.5-177-47.30000109.4P27 N31P27-T29 PolarHBondContact O-N 3.13Å; P27-T29 PolarHBondContact O-OG1 2.64Å; P27-T29 VanDerWaalsContact O-OG1 3.1Å; T29-N31 VanDerWaalsContact C-N 3.33Å; T29-N31 PolarHBondContact O-N 2.98Å
30W84.9Confident83.7Confident99 Ų9993 Ų9338%0.37549%0.485SS..  trans-76.484.6175.5-168.4-93.1000110.9F18 L21 W28 C34 F38F18-W30 HydrophobicContact CD1-CZ3 4.36Å; F18-W30 AromaticContact CE1-CH2 3.64Å; F18-W30 HydrophobicContact CE1-CH2 3.64Å; F18-W30 AromaticContact CE1-CZ3 3.77Å; F18-W30 HydrophobicContact CE1-CZ3 3.77Å; F18-W30 HydrophobicContact CZ-CH2 4.38Å; L21-W30 HydrophobicContact CD1-CE3 4.16Å; L21-W30 HydrophobicContact CD1-CZ3 4.31Å; W28-W30 HydrophobicContact CH2-CB 3.73Å; W28-W30 HydrophobicContact CH2-CG 4.44Å; W28-W30 HydrophobicContact CZ2-CB 4.19Å; W28-W30 HydrophobicContact CZ2-CE3 4.04Å; W28-W30 HydrophobicContact CZ3-CB 4.05Å; W30-C34 HydrophobicContact CD2-CB 4.16Å; W30-C34 HydrophobicContact CE3-CB 4.15Å; W30-C34 HydrophobicContact CH2-CB 4.49Å; W30-C34 HydrophobicContact CZ2-CB 4.46Å; W30-C34 HydrophobicContact CZ3-CB 4.32Å; W30-F38 HydrophobicContact CH2-CB 4.03Å; W30-F38 HydrophobicContact CH2-CD2 4.32Å; W30-F38 HydrophobicContact CH2-CG 4.11Å; W30-F38 HydrophobicContact CZ2-CB 3.85Å; W30-F38 HydrophobicContact CZ2-CD1 4.31Å; W30-F38 HydrophobicContact CZ2-CG 4.08Å
31N85.4Confident83.6Confident76 Ų7688.3 Ų88.341%0.40646%0.464SS..  trans-80.5168.4179.565.824000112.4T29 R33 C34 R35T29-N31 VanDerWaalsContact C-N 3.33Å; T29-N31 PolarHBondContact O-N 2.98Å; N31-R33 PolarHBondContact O-N 2.7Å; N31-R33 WeakPolarHBondContact OD1-CB 3.32Å; N31-R33 PolarHBondContact OD1-N 3.08Å; N31-C34 PolarHBondContact O-N 2.73Å; N31-C34 VanDerWaalsContact O-N 3.12Å; N31-C34 PolarHBondContact OD1-N 2.93Å; N31-C34 PolarHBondContact OD1-SG 3.37Å; N31-R35 PolarHBondContact O-N 3.36Å; N31-R35 VanDerWaalsContact O-N 3.08Å
32Q86.6Confident83.4Confident132 Ų13291 Ų9162%0.61747%0.473SS*.Hα-helixtrans-59-33.1179.2-171.263.7900112.4R35 S36Q32-R35 PolarHBondContact O-N 2.92Å; Q32-S36 PolarHBondContact O-N 2.72Å; Q32-S36 PolarHBondContact O-OG 3.29Å
33R83.6Confident83.3Confident170 Ų17089.1 Ų89.164%0.64247%0.465SS*.Hα-helixtrans-61.7-45.4175.6-175.3179.3179.7-177.60.4111.6N31 R35 S36 L37N31-R33 PolarHBondContact O-N 2.7Å; N31-R33 WeakPolarHBondContact OD1-CB 3.32Å; N31-R33 PolarHBondContact OD1-N 3.08Å; R33-R35 VanDerWaalsContact C-N 3.33Å; R33-S36 PolarHBondContact O-N 3.21Å; R33-L37 HydrophobicContact CG-CD1 4.1Å; R33-L37 WeakPolarHBondContact O-CB 3.45Å; R33-L37 VanDerWaalsContact O-CG 3.22Å; R33-L37 WeakPolarHBondContact O-CG 3.26Å; R33-L37 PolarHBondContact O-N 3.11Å
34C84.8Confident83Confident3 Ų384.7 Ų84.72%0.0245%0.449CS..Hα-helixtrans-64.3-39.4175.8-65.50000111.3F18 L21 W30 N31 F38F18-C34 HydrophobicContact CE1-CB 4.27Å; F18-C34 WeakPolarHBondContact CZ-O 3.33Å; L21-C34 HydrophobicContact CD1-CB 4.41Å; W30-C34 HydrophobicContact CD2-CB 4.16Å; W30-C34 HydrophobicContact CE3-CB 4.15Å; W30-C34 HydrophobicContact CH2-CB 4.49Å; W30-C34 HydrophobicContact CZ2-CB 4.46Å; W30-C34 HydrophobicContact CZ3-CB 4.32Å; N31-C34 PolarHBondContact O-N 2.73Å; N31-C34 VanDerWaalsContact O-N 3.12Å; N31-C34 PolarHBondContact OD1-N 2.93Å; N31-C34 PolarHBondContact OD1-SG 3.37Å; C34-F38 VanDerWaalsContact O-CB 3.27Å; C34-F38 WeakPolarHBondContact O-CB 3.36Å; C34-F38 PolarHBondContact O-N 2.82Å
35R86.8Confident82.5Confident141 Ų14181.7 Ų81.753%0.53242%0.418SS..Hα-helixtrans-63.2-49.6175.6-170.5174.5-177155.9-0.1112.4N31 Q32 R33 L37 F38 E39N31-R35 PolarHBondContact O-N 3.36Å; N31-R35 VanDerWaalsContact O-N 3.08Å; Q32-R35 PolarHBondContact O-N 2.92Å; R33-R35 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.08Å; R35-F38 WeakPolarHBondContact O-CB 3.26Å; R35-F38 PolarHBondContact O-N 2.94Å; R35-E39 PolarHBondContact O-N 3.29Å
36S85.8Confident82Confident54 Ų5482.8 Ų82.838%0.37841%0.407SS..Hα-helixtrans-59.8-45.9177.8-66.90000111.4Q32 R33 F38 E39 E40Q32-S36 PolarHBondContact O-N 2.72Å; Q32-S36 PolarHBondContact O-OG 3.29Å; R33-S36 PolarHBondContact O-N 3.21Å; S36-F38 VanDerWaalsContact C-N 3.3Å; S36-F38 PolarHBondContact O-N 3.17Å; S36-E39 PolarHBondContact O-N 2.93Å; S36-E40 WeakPolarHBondContact O-CG 3.28Å; S36-E40 PolarHBondContact O-N 2.69Å
37L83.2Confident81.5Confident24 Ų2481.4 Ų81.413%0.12640%0.4CS..Hα-helixtrans-62.1-37.9175.6-70.5170.1000112.1P17 F18 R33 R35 L41P17-L37 HydrophobicContact CB-CD1 4.08Å; P17-L37 HydrophobicContact CG-CD1 3.63Å; F18-L37 HydrophobicContact CE2-CB 3.91Å; F18-L37 HydrophobicContact CZ-CB 4.11Å; R33-L37 HydrophobicContact CG-CD1 4.1Å; R33-L37 WeakPolarHBondContact O-CB 3.45Å; R33-L37 VanDerWaalsContact O-CG 3.22Å; R33-L37 WeakPolarHBondContact O-CG 3.26Å; R33-L37 PolarHBondContact O-N 3.11Å; R35-L37 PolarHBondContact O-N 3.08Å; L37-L41 WeakPolarHBondContact O-CB 3.39Å; L37-L41 WeakPolarHBondContact O-CD1 3.43Å; L37-L41 WeakPolarHBondContact O-CG 3.07Å; L37-L41 PolarHBondContact O-N 2.85Å
38F84.7Confident80.5Confident85 Ų8580.7 Ų80.737%0.37340%0.398SS..Hα-helixtrans-65.5-42.4177.2-176-113.6000112.3F18 W30 C34 R35 S36 L41 K42F18-F38 HydrophobicContact CZ-CB 4.02Å; W30-F38 HydrophobicContact CH2-CB 4.03Å; W30-F38 HydrophobicContact CH2-CD2 4.32Å; W30-F38 HydrophobicContact CH2-CG 4.11Å; W30-F38 HydrophobicContact CZ2-CB 3.85Å; W30-F38 HydrophobicContact CZ2-CD1 4.31Å; W30-F38 HydrophobicContact CZ2-CG 4.08Å; C34-F38 VanDerWaalsContact O-CB 3.27Å; C34-F38 WeakPolarHBondContact O-CB 3.36Å; C34-F38 PolarHBondContact O-N 2.82Å; R35-F38 WeakPolarHBondContact O-CB 3.26Å; R35-F38 PolarHBondContact O-N 2.94Å; S36-F38 VanDerWaalsContact C-N 3.3Å; S36-F38 PolarHBondContact O-N 3.17Å; F38-L41 PolarHBondContact O-N 2.95Å; F38-K42 HydrophobicContact CE1-CD 4.3Å; F38-K42 PolarHBondContact O-N 2.77Å
39E85.9Confident79.4Confident89 Ų8977.7 Ų77.742%0.41640%0.395SS..Hα-helixtrans-69-39.5176.6-68-56.6144.900112.2R35 S36 L41 K42 S43R35-E39 PolarHBondContact O-N 3.29Å; S36-E39 PolarHBondContact O-N 2.93Å; E39-L41 VanDerWaalsContact C-N 3.27Å; E39-L41 PolarHBondContact O-N 2.65Å; E39-K42 WeakPolarHBondContact O-CB 3.48Å; E39-K42 PolarHBondContact O-N 2.92Å; E39-K42 IonicContact OE1-NZ 3.15Å; E39-K42 PolarHBondContact OE1-NZ 3.29Å; E39-K42 WeakPolarHBondContact OE2-CD 3.48Å; E39-K42 IonicContact OE2-NZ 2.75Å; E39-S43 PolarHBondContact O-N 3.47Å
40E82Confident78.5Confident80 Ų8073.9 Ų73.937%0.37437%0.372SS..Hα-helixtrans-58.9-40.4169.9-75.9177-152.200111.8R14 S36 S43 C44R14-E40 IonicContact NH1-OE2 2.91Å; R14-E40 PolarHBondContact NH1-OE2 3.48Å; S36-E40 WeakPolarHBondContact O-CG 3.28Å; S36-E40 PolarHBondContact O-N 2.69Å; E40-S43 PolarHBondContact O-N 3.29Å; E40-S43 PolarHBondContact O-OG 2.91Å; E40-C44 PolarHBondContact O-N 3.03Å; E40-C44 PolarHBondContact O-SG 3.28Å
41L78.3Confident78Confident8 Ų872 Ų724%0.04237%0.369CS..Hα-helixtrans-68.7-38.2179.1-74.7166.5000111.9M1 L11 F18 L37 F38 E39 S43 C44 L45M1-L41 HydrophobicContact CE-CB 3.56Å; M1-L41 HydrophobicContact CE-CD1 3.56Å; M1-L41 HydrophobicContact CE-CD2 3.55Å; M1-L41 HydrophobicContact CE-CG 3.71Å; L11-L41 HydrophobicContact CD1-CD2 4.03Å; L11-L41 HydrophobicContact CG-CD2 4.33Å; F18-L41 HydrophobicContact CD2-CD1 4.28Å; F18-L41 HydrophobicContact CE2-CD1 3.56Å; F18-L41 HydrophobicContact CZ-CD1 4.35Å; L37-L41 WeakPolarHBondContact O-CB 3.39Å; L37-L41 WeakPolarHBondContact O-CD1 3.43Å; L37-L41 WeakPolarHBondContact O-CG 3.07Å; L37-L41 PolarHBondContact O-N 2.85Å; F38-L41 PolarHBondContact O-N 2.95Å; E39-L41 VanDerWaalsContact C-N 3.27Å; E39-L41 PolarHBondContact O-N 2.65Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-C44 PolarHBondContact O-N 3.24Å; L41-L45 WeakPolarHBondContact O-CB 3.26Å; L41-L45 VanDerWaalsContact O-CG 3.26Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 2.91Å
42K79.7Confident77.8Confident90 Ų9070.1 Ų70.139%0.39136%0.36SS..Hα-helixtrans-59.4-47.6170.4-74.4177.6-177.2163.70110.5F38 E39 C44 L45 T46F38-K42 HydrophobicContact CE1-CD 4.3Å; F38-K42 PolarHBondContact O-N 2.77Å; E39-K42 WeakPolarHBondContact O-CB 3.48Å; E39-K42 PolarHBondContact O-N 2.92Å; E39-K42 IonicContact OE1-NZ 3.15Å; E39-K42 PolarHBondContact OE1-NZ 3.29Å; E39-K42 WeakPolarHBondContact OE2-CD 3.48Å; E39-K42 IonicContact OE2-NZ 2.75Å; K42-C44 VanDerWaalsContact C-N 3.33Å; K42-C44 PolarHBondContact O-N 3.48Å; K42-L45 PolarHBondContact O-N 3.29Å; K42-L45 VanDerWaalsContact O-N 3.13Å; K42-T46 WeakPolarHBondContact O-CG2 3.38Å; K42-T46 PolarHBondContact O-N 3.45Å; K42-T46 PolarHBondContact O-OG1 3.1Å
43S80.4Confident77.7Confident65 Ų6571.7 Ų71.746%0.45537%0.367SS..Hα-helixtrans-61.7-41.7-178.6740000111.6E39 E40 L41 T46 S47E39-S43 PolarHBondContact O-N 3.47Å; E40-S43 PolarHBondContact O-N 3.29Å; E40-S43 PolarHBondContact O-OG 2.91Å; L41-S43 VanDerWaalsContact C-N 3.33Å; S43-T46 WeakPolarHBondContact CA-OG1 3.31Å; S43-T46 CarbonylContact O-C 3.53Å; S43-T46 PolarHBondContact O-N 3.44Å; S43-T46 PolarHBondContact O-OG1 3.15Å; S43-S47 WeakPolarHBondContact O-CB 3.5Å; S43-S47 PolarHBondContact O-N 3.39Å
44C75.6Confident77.8Confident32 Ų3267.6 Ų67.622%0.21635%0.352CS..Hα-helixtrans-64-38.5173.2-68.70000113.4V8 E40 L41 K42 T46 S47 T50V8-C44 HydrophobicContact CG1-CB 4.36Å; V8-C44 HydrophobicContact CG2-CB 4.31Å; E40-C44 PolarHBondContact O-N 3.03Å; E40-C44 PolarHBondContact O-SG 3.28Å; L41-C44 PolarHBondContact O-N 3.24Å; K42-C44 VanDerWaalsContact C-N 3.33Å; K42-C44 PolarHBondContact O-N 3.48Å; C44-T46 VanDerWaalsContact C-N 3.31Å; C44-S47 PolarHBondContact O-N 3.44Å; C44-S47 PolarHBondContact O-OG 3.49Å; C44-T50 VanDerWaalsContact O-CG2 3.23Å; C44-T50 WeakPolarHBondContact O-CG2 3.35Å; C44-T50 PolarHBondContact O-OG1 3.45Å
45L71Confident78Confident47 Ų4770.3 Ų70.325%0.24637%0.366CS..Hα-helixtrans-73.3-25.7177.4-72174.4000112.8M1 Y4 L41 K42 T50M1-L45 HydrophobicContact CE-CD1 4.19Å; M1-L45 HydrophobicContact SD-CD1 3.87Å; Y4-L45 HydrophobicContact CD1-CD2 3.54Å; Y4-L45 HydrophobicContact CD2-CD2 3.86Å; Y4-L45 HydrophobicContact CE1-CD2 3.98Å; Y4-L45 HydrophobicContact CE2-CD2 4.28Å; Y4-L45 HydrophobicContact CG-CD2 3.48Å; Y4-L45 VanDerWaalsContact CG-CD2 3.48Å; L41-L45 WeakPolarHBondContact O-CB 3.26Å; L41-L45 VanDerWaalsContact O-CG 3.26Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 2.91Å; K42-L45 PolarHBondContact O-N 3.29Å; K42-L45 VanDerWaalsContact O-N 3.13Å; L45-T50 PolarHBondContact O-OG1 3.34Å; L45-T50 VanDerWaalsContact O-OG1 3.05Å
46T70.1Confident78Confident109 Ų10968.8 Ų68.867%0.66937%0.369SS*.Hα-helixtrans-87.8-14.6172.1540000112.9K42 S43 C44K42-T46 WeakPolarHBondContact O-CG2 3.38Å; K42-T46 PolarHBondContact O-N 3.45Å; K42-T46 PolarHBondContact O-OG1 3.1Å; S43-T46 WeakPolarHBondContact CA-OG1 3.31Å; S43-T46 CarbonylContact O-C 3.53Å; S43-T46 PolarHBondContact O-N 3.44Å; S43-T46 PolarHBondContact O-OG1 3.15Å; C44-T46 VanDerWaalsContact C-N 3.31Å
47S70.6Confident78.1Confident33 Ų3374.5 Ų74.523%0.23139%0.387CS..SBendtrans-72.9153.7179.779.90000110.8S43 C44 D49 T50S43-S47 WeakPolarHBondContact O-CB 3.5Å; S43-S47 PolarHBondContact O-N 3.39Å; C44-S47 PolarHBondContact O-N 3.44Å; C44-S47 PolarHBondContact O-OG 3.49Å; S47-D49 PolarHBondContact O-N 3.19Å; S47-D49 PolarHBondContact OG-OD2 2.62Å; S47-T50 PolarHBondContact O-N 2.84Å; S47-T50 PolarHBondContact O-OG1 3.45Å
48S62Low78.5Confident93 Ų9375 Ų7565%0.6539%0.39SS*.THydrogen-bonded Turntrans-57.8-12.6175.950.30000114.2T50S48-T50 VanDerWaalsContact C-N 3.3Å; S48-T50 PolarHBondContact O-N 3.12Å
49D61.2Low78.9Confident119 Ų11974 Ų7464%0.63639%0.392SS*.THydrogen-bonded Turntrans-74.3-25.2-178.2-57.7-36000112.1S47S47-D49 PolarHBondContact O-N 3.19Å; S47-D49 PolarHBondContact OG-OD2 2.62Å
50T66Low79.3Confident2 Ų269.8 Ų69.81%0.01237%0.372CS..THydrogen-bonded Turntrans-98.5-31.5179.961.10000113F7 V8 C44 L45 S47 S48 P85F7-T50 HydrophobicContact CB-CG2 4.01Å; V8-T50 HydrophobicContact CG2-CG2 3.76Å; C44-T50 VanDerWaalsContact O-CG2 3.23Å; C44-T50 WeakPolarHBondContact O-CG2 3.35Å; C44-T50 PolarHBondContact O-OG1 3.45Å; L45-T50 PolarHBondContact O-OG1 3.34Å; L45-T50 VanDerWaalsContact O-OG1 3.05Å; S47-T50 PolarHBondContact O-N 2.84Å; S47-T50 PolarHBondContact O-OG1 3.45Å; S48-T50 VanDerWaalsContact C-N 3.3Å; S48-T50 PolarHBondContact O-N 3.12Å; T50-P85 WeakPolarHBondContact O-CD 3.33Å; T50-P85 VanDerWaalsContact O-CG 3.32Å; T50-P85 WeakPolarHBondContact O-CG 3.46Å
51L75Confident79.8Confident59 Ų5966 Ų6631%0.30935%0.354SS..  trans-91.8137.5177.3-65.8173.5000111.2P85 F88L51-P85 CarbonylContact C-O 3.59Å; L51-P85 WeakPolarHBondContact CA-O 3.45Å; L51-P85 HydrophobicContact CD2-CB 4.11Å; L51-P85 HydrophobicContact CD2-CG 4.1Å; L51-F88 HydrophobicContact CD2-CD2 4.14Å; L51-F88 HydrophobicContact CD2-CE2 3.8Å
52V81.6Confident80.4Confident37 Ų3765.6 Ų65.622%0.22435%0.352CS..  trans-106.7142174.9-172.90000109.4F78 K84 P85V52-F78 HydrophobicContact CG1-CZ 3.9Å; V52-F78 HydrophobicContact CG2-CE2 4.27Å; V52-F78 HydrophobicContact CG2-CZ 4.08Å; V52-K84 HydrophobicContact CB-CB 4.46Å; V52-K84 HydrophobicContact CG2-CB 3.39Å; V52-K84 HydrophobicContact CG2-CD 3.35Å; V52-K84 HydrophobicContact CG2-CG 3.98Å; V52-P85 PolarHBondContact N-O 3.49Å
53H84.2Confident80.8Confident166 Ų16661.9 Ų61.977%0.76934%0.336SS*.  trans-57.6148.4166-67.1-69.5000111.6D55H53-D55 PolarHBondContact O-N 3.35Å
54Y85.8Confident81Confident84 Ų8458.8 Ų58.833%0.32931%0.314SS..  trans-66.6130.9174.8175.9-92.4000110.7D56 L60 H76 I86 Y120 R124Y54-D56 HydrophobicContact CE1-CB 4.49Å; Y54-L60 HydrophobicContact CD2-CD2 4.28Å; Y54-L60 HydrophobicContact CE2-CD1 4.05Å; Y54-L60 HydrophobicContact CE2-CD2 3.94Å; Y54-H76 AromaticContact CD2-NE2 3.98Å; Y54-I86 HydrophobicContact CD2-CD1 4.1Å; Y54-Y120 AromaticContact CD2-CD1 3.38Å; Y54-Y120 HydrophobicContact CD2-CD1 3.38Å; Y54-Y120 HydrophobicContact CD2-CE1 4.05Å; Y54-Y120 HydrophobicContact CD2-CG 4.24Å; Y54-Y120 AromaticContact CE2-CD1 3.74Å; Y54-Y120 HydrophobicContact CE2-CD1 3.74Å; Y54-Y120 HydrophobicContact CE2-CG 4.34Å; Y54-Y120 AromaticContact CG-CD1 3.81Å; Y54-Y120 HydrophobicContact CG-CD1 3.81Å; Y54-Y120 HydrophobicContact CG-CE1 4.09Å; Y54-Y120 PolarHBondContact OH-O 3.23Å; Y54-R124 VanDerWaalsContact CZ-NH1 3.35Å; Y54-R124 WeakPolarHBondContact OH-CD 3.06Å; Y54-R124 PolarHBondContact OH-NH1 3.09Å
55D88.2Confident81.2Confident59 Ų5957.4 Ų57.432%0.31631%0.305SS..  trans-125126.9177.6-172-25000109.6H53 K57 L58 H76 R124H53-D55 PolarHBondContact O-N 3.35Å; D55-K57 PolarHBondContact O-N 3.09Å; D55-K57 WeakPolarHBondContact OD1-CB 3.49Å; D55-K57 PolarHBondContact OD1-N 2.88Å; D55-L58 HydrophobicContact CB-CB 4.3Å; D55-L58 HydrophobicContact CB-CD1 3.97Å; D55-L58 HydrophobicContact CB-CG 4.06Å; D55-H76 PolarHBondContact N-NE2 3.24Å; D55-H76 PolarHBondContact O-CE1 3Å; D55-H76 PolarHBondContact O-NE2 3.01Å; D55-R124 PolarHBondContact O-NH1 2.77Å
56D86.9Confident81.2Confident109 Ų10955.5 Ų55.558%0.58330%0.295SS*.THydrogen-bonded Turntrans-73.1-14.3-178.668.4-25.1000113.4Y54 R124Y54-D56 HydrophobicContact CE1-CB 4.49Å; D56-R124 VanDerWaalsContact C-NH2 3.28Å; D56-R124 PolarHBondContact O-NH2 3.03Å
57K89Confident81.1Confident174 Ų17451.4 Ų51.476%0.75727%0.271SS*.THydrogen-bonded Turntrans-92.8-19.8179.5-61176.7-171.6175.80113.4D55D55-K57 PolarHBondContact O-N 3.09Å; D55-K57 WeakPolarHBondContact OD1-CB 3.49Å; D55-K57 PolarHBondContact OD1-N 2.88Å
58L91Very high80.7Confident36 Ų3656.2 Ų56.219%0.18829%0.29CS..SBendtrans-92.1137-176.9-66.3179.9000111.6D55 H76 F78 R124D55-L58 HydrophobicContact CB-CB 4.3Å; D55-L58 HydrophobicContact CB-CD1 3.97Å; D55-L58 HydrophobicContact CB-CG 4.06Å; L58-H76 HydrophobicContact CB-CB 4.3Å; L58-H76 WeakPolarHBondContact CB-ND1 3.34Å; L58-H76 HydrophobicContact CD1-CB 4.28Å; L58-H76 PolarHBondContact O-ND1 3.22Å; L58-F78 HydrophobicContact CD1-CD1 4.07Å; L58-F78 HydrophobicContact CD1-CE1 3.66Å; L58-F78 HydrophobicContact CD1-CZ 3.99Å; L58-R124 PolarHBondContact O-NH2 3.2Å
59P92.9Very high80.6Confident64 Ų6453.1 Ų53.142%0.41626%0.264SS..PPolyproline II helixtrans-56.6144.7175.1-23.530.9000112.9H76 R77P59-H76 WeakPolarHBondContact O-CA 3.48Å; P59-H76 PolarHBondContact O-ND1 2.9Å; P59-R77 HydrophobicContact CB-CB 4.32Å; P59-R77 WeakPolarHBondContact CD-O 3.26Å; P59-R77 PolarHBondContact O-N 3.23Å
60L93.4Very high80.6Confident0 Ų047.5 Ų47.50%023%0.234CC..EExtended strand (participates in β ladder)trans-100.6140178.1-68.9170.9000111Y54 L74 H76 I86 Y120 L121 R124 F126 I127Y54-L60 HydrophobicContact CD2-CD2 4.28Å; Y54-L60 HydrophobicContact CE2-CD1 4.05Å; Y54-L60 HydrophobicContact CE2-CD2 3.94Å; L60-L74 HydrophobicContact CD2-CD1 4.31Å; L60-L74 HydrophobicContact CD2-CD2 4.49Å; L60-L74 HydrophobicContact CD2-CG 4.45Å; L60-H76 VanDerWaalsContact CD2-CE1 3.4Å; L60-H76 WeakPolarHBondContact CD2-CE1 3.22Å; L60-I86 HydrophobicContact CD2-CD1 3.6Å; L60-Y120 WeakPolarHBondContact CD1-O 3.42Å; L60-L121 HydrophobicContact CD1-CD2 4.22Å; L60-R124 HydrophobicContact CD1-CB 4.29Å; L60-F126 HydrophobicContact CB-CB 3.78Å; L60-F126 WeakPolarHBondContact O-CA 3.25Å; L60-I127 PolarHBondContact O-N 3.15Å
61V92.8Very high80.8Confident0 Ų047.5 Ų47.50%023%0.234CC..EExtended strand (participates in β ladder)trans-129.6118.7176.5-174.20000108.4Y63 C75 R77 I127 K129V61-Y63 HydrophobicContact CG1-CD2 4Å; V61-Y63 HydrophobicContact CG1-CE2 3.69Å; V61-C75 HydrophobicContact CB-CB 4.37Å; V61-C75 PolarHBondContact N-O 2.98Å; V61-C75 PolarHBondContact O-N 3.28Å; V61-R77 HydrophobicContact CG2-CB 3.89Å; V61-I127 CarbonylContact C-O 3.57Å; V61-I127 WeakPolarHBondContact CA-O 3.31Å; V61-I127 HydrophobicContact CG1-CB 4.45Å; V61-I127 HydrophobicContact CG2-CB 4.3Å; V61-I127 HydrophobicContact CG2-CD1 4.45Å; V61-K129 HydrophobicContact CG1-CD 3.58Å; V61-K129 HydrophobicContact CG1-CG 4.06Å
62L90.6Very high80.7Confident0 Ų044.7 Ų44.70%022%0.219CC..EExtended strand (participates in β ladder)trans-100.1116.7173.5178.161.5000109V114 F117 L121 F126 I127 L128 K129L62-V114 HydrophobicContact CD2-CG2 3.6Å; L62-F117 HydrophobicContact CD1-CD2 3.57Å; L62-F117 HydrophobicContact CD1-CE2 3.86Å; L62-L121 HydrophobicContact CD2-CD1 4.11Å; L62-F126 HydrophobicContact CB-CD2 4.15Å; L62-F126 HydrophobicContact CB-CE2 4.39Å; L62-F126 HydrophobicContact CD2-CE2 4.28Å; L62-I127 PolarHBondContact N-O 3.44Å; L62-L128 HydrophobicContact CB-CD1 4.26Å; L62-L128 HydrophobicContact CD2-CD1 3.87Å; L62-L128 HydrophobicContact CG-CD1 4.01Å; L62-L128 WeakPolarHBondContact O-CA 3.44Å; L62-K129 PolarHBondContact O-N 3Å
63Y89.1Confident80.7Confident11 Ų1142.9 Ų42.94%0.04321%0.208CC..EExtended strand (participates in β ladder)trans-89.4134.7167.8-79.6-90.1000109.9V61 G72 A73 E83 K129 N175 L177V61-Y63 HydrophobicContact CG1-CD2 4Å; V61-Y63 HydrophobicContact CG1-CE2 3.69Å; Y63-G72 CarbonylContact O-C 3.57Å; Y63-G72 VanDerWaalsContact O-CA 3.25Å; Y63-G72 WeakPolarHBondContact O-CA 3.49Å; Y63-A73 PolarHBondContact N-O 3.25Å; Y63-A73 PolarHBondContact O-N 2.94Å; Y63-E83 VanDerWaalsContact CE2-OE2 3.23Å; Y63-E83 WeakPolarHBondContact CE2-OE2 3.26Å; Y63-E83 PolarHBondContact OH-OE2 3.28Å; Y63-K129 HydrophobicContact CD1-CB 3.81Å; Y63-K129 HydrophobicContact CD1-CD 4.19Å; Y63-K129 HydrophobicContact CD2-CD 4.5Å; Y63-K129 HydrophobicContact CE1-CB 3.89Å; Y63-K129 HydrophobicContact CE1-CD 3.5Å; Y63-K129 VanDerWaalsContact CE1-CD 3.5Å; Y63-K129 HydrophobicContact CE1-CG 4.36Å; Y63-K129 HydrophobicContact CE2-CD 3.82Å; Y63-K129 HydrophobicContact CG-CB 4.31Å; Y63-K129 WeakPolarHBondContact OH-CD 3.41Å; Y63-K129 PolarHBondContact OH-NZ 3.37Å; Y63-N175 VanDerWaalsContact CD1-OD1 3.26Å; Y63-N175 WeakPolarHBondContact CD1-OD1 3.36Å; Y63-L177 HydrophobicContact CD2-CD1 4.15Å; Y63-L177 HydrophobicContact CE2-CD1 4.17Å
64S83.8Confident80.7Confident0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-130.9145.9172.958.70000110.6L71 I110 K129 N175S64-L71 WeakPolarHBondContact CA-O 3.19Å; S64-I110 VanDerWaalsContact OG-CG1 3.23Å; S64-I110 WeakPolarHBondContact OG-CG1 3.47Å; S64-K129 PolarHBondContact N-O 2.83Å; S64-K129 PolarHBondContact OG-O 2.82Å; S64-N175 PolarHBondContact O-ND2 2.67Å
65D80.9Confident80.8Confident4 Ų431 Ų312%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-154135.7174.6175.627.1000108.6L71 A109 A178 N179 S182D65-L71 PolarHBondContact N-O 3.32Å; D65-L71 PolarHBondContact O-N 2.75Å; D65-A109 WeakPolarHBondContact O-CB 3.41Å; D65-A178 HydrophobicContact CB-CB 3.37Å; D65-N179 VanDerWaalsContact OD2-CA 3.23Å; D65-N179 WeakPolarHBondContact OD2-CA 3.38Å; D65-N179 PolarHBondContact OD2-N 3.14Å; D65-S182 WeakPolarHBondContact OD2-CB 3.26Å; D65-S182 PolarHBondContact OD2-OG 3.07Å
66A69.4Low80.9Confident6 Ų628.2 Ų28.25%0.0514%0.141CC..EExtended strand (participates in β ladder)trans-120.611017400000111.8R69 R105 E106 A109A66-R69 WeakPolarHBondContact CA-O 3.36Å; A66-R105 HydrophobicContact CB-CB 4Å; A66-R105 WeakPolarHBondContact CB-O 3.32Å; A66-E106 VanDerWaalsContact CB-CA 3.5Å; A66-E106 HydrophobicContact CB-CB 4.47Å; A66-E106 HydrophobicContact CB-CG 4.35Å; A66-E106 WeakPolarHBondContact CB-OE2 3.46Å; A66-E106 PolarHBondContact N-OE2 3.28Å; A66-E106 VanDerWaalsContact O-OE1 3.05Å; A66-A109 HydrophobicContact CB-CB 3.61Å
67C69.8Low81.1Confident23 Ų2325.9 Ų25.916%0.15512%0.124CC..SBendtrans-103.5-127.5162.668.20000110.2R69 L93 R105 S182C67-R69 PolarHBondContact N-O 3.36Å; C67-R69 PolarHBondContact O-N 3.03Å; C67-R69 PolarHBondContact SG-N 3.16Å; C67-R69 VanDerWaalsContact SG-N 3.45Å; C67-L93 WeakPolarHBondContact O-CD1 3.31Å; C67-R105 PolarHBondContact O-NH1 3.34Å; C67-S182 WeakPolarHBondContact SG-CB 3.3Å; C67-S182 PolarHBondContact SG-O 2.86Å
68E61.9Low81.1Confident135 Ų13520.3 Ų20.363%0.63110%0.1SC*.SBendtrans-70.6-8161.8-62.9177.4177.200112.4L93E68-L93 WeakPolarHBondContact O-CB 3.37Å
69R59Low80.8Confident28 Ų2824 Ų2411%0.10614%0.136CC..EExtended strand (participates in β ladder)trans-127.4147176.9-57.2-167177.583.87.1109.3A66 C67 L92 S182 L184 I186A66-R69 WeakPolarHBondContact CA-O 3.36Å; C67-R69 PolarHBondContact N-O 3.36Å; C67-R69 PolarHBondContact O-N 3.03Å; C67-R69 PolarHBondContact SG-N 3.16Å; C67-R69 VanDerWaalsContact SG-N 3.45Å; R69-L92 HydrophobicContact CG-CD2 3.89Å; R69-S182 WeakPolarHBondContact CD-O 3.23Å; R69-S182 PolarHBondContact NH1-O 2.95Å; R69-L184 VanDerWaalsContact NH1-C 3.32Å; R69-L184 PolarHBondContact NH1-O 3.17Å; R69-L184 PolarHBondContact NH2-O 3.31Å; R69-I186 VanDerWaalsContact NH2-N 3.17Å
70G62.2Low80.4Confident1 Ų125.5 Ų25.51%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-92.7131.6168.600000109.7R91G70-R91 PolarHBondContact N-O 2.89Å; G70-R91 PolarHBondContact O-N 3.23Å
71L68.8Low79.9Confident1 Ų128.1 Ų28.11%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-131.5141.6-178.9-168.6132.4000113S64 D65 A178 L181S64-L71 WeakPolarHBondContact CA-O 3.19Å; D65-L71 PolarHBondContact N-O 3.32Å; D65-L71 PolarHBondContact O-N 2.75Å; L71-A178 VanDerWaalsContact CD2-CA 3.5Å; L71-A178 HydrophobicContact CD2-CB 3.7Å; L71-L181 HydrophobicContact CD1-CB 3.04Å; L71-L181 HydrophobicContact CD1-CD1 4.03Å; L71-L181 HydrophobicContact CD1-CG 4.17Å; L71-L181 HydrophobicContact CD2-CB 4.43Å; L71-L181 HydrophobicContact CD2-CD1 4.42Å; L71-L181 HydrophobicContact CG-CB 4.31Å
72G73.9Confident79.5Confident0 Ų031.1 Ų31.10%019%0.19CC..EExtended strand (participates in β ladder)trans-131.6134.4171.700000111.6Y63 A89Y63-G72 CarbonylContact O-C 3.57Å; Y63-G72 VanDerWaalsContact O-CA 3.25Å; Y63-G72 WeakPolarHBondContact O-CA 3.49Å; G72-A89 PolarHBondContact N-O 2.95Å; G72-A89 PolarHBondContact O-N 3.11Å
73A80.6Confident79.3Confident0 Ų031.7 Ų31.70%019%0.192CC..EExtended strand (participates in β ladder)trans-128.6125.2169.400000110Y63 F88Y63-A73 PolarHBondContact N-O 3.25Å; Y63-A73 PolarHBondContact O-N 2.94Å; A73-F88 HydrophobicContact CB-CD1 3.54Å; A73-F88 HydrophobicContact CB-CE1 3.71Å
74L84.8Confident79Confident0 Ų034.1 Ų34.10%020%0.203CC..EExtended strand (participates in β ladder)trans-97.6129.3177.5-173.471.2000109.4L60 I86 A87 F117 Y120 L121L60-L74 HydrophobicContact CD2-CD1 4.31Å; L60-L74 HydrophobicContact CD2-CD2 4.49Å; L60-L74 HydrophobicContact CD2-CG 4.45Å; L74-I86 HydrophobicContact CD2-CB 4.38Å; L74-I86 HydrophobicContact CD2-CD1 4.02Å; L74-I86 HydrophobicContact CG-CB 4.48Å; L74-I86 HydrophobicContact CG-CD1 4.05Å; L74-I86 PolarHBondContact O-N 2.98Å; L74-A87 PolarHBondContact N-O 3.33Å; L74-A87 PolarHBondContact O-N 2.92Å; L74-F117 HydrophobicContact CB-CD1 4.04Å; L74-F117 HydrophobicContact CB-CD2 4.05Å; L74-F117 HydrophobicContact CB-CE1 4.1Å; L74-F117 HydrophobicContact CB-CE2 4.1Å; L74-F117 HydrophobicContact CB-CG 4.02Å; L74-F117 HydrophobicContact CB-CZ 4.11Å; L74-F117 HydrophobicContact CD2-CB 4.3Å; L74-F117 HydrophobicContact CD2-CD1 4.19Å; L74-F117 HydrophobicContact CD2-CG 4.27Å; L74-Y120 HydrophobicContact CD2-CD1 4.46Å; L74-Y120 HydrophobicContact CD2-CD2 3.73Å; L74-Y120 HydrophobicContact CD2-CG 3.69Å; L74-L121 HydrophobicContact CD1-CD2 3.76Å
75C88.6Confident78.9Confident0 Ų034.1 Ų34.10%020%0.203CC..EExtended strand (participates in β ladder)trans-131.2153-177.6-61.80000111.4V61 E83 K84V61-C75 HydrophobicContact CB-CB 4.37Å; V61-C75 PolarHBondContact N-O 2.98Å; V61-C75 PolarHBondContact O-N 3.28Å; C75-E83 HydrophobicContact CB-CB 4.39Å; C75-K84 CarbonylContact C-O 3.6Å; C75-K84 WeakPolarHBondContact CA-O 3.41Å; C75-K84 WeakPolarHBondContact CB-O 3.39Å
76H90.3Very high79Confident0 Ų034.8 Ų34.80%021%0.206CC..EExtended strand (participates in β ladder)trans-90.4138.5160.1-85.1-50.2000110.9Y54 D55 L58 P59 L60 F78 E83 K84 I86Y54-H76 AromaticContact CD2-NE2 3.98Å; D55-H76 PolarHBondContact N-NE2 3.24Å; D55-H76 PolarHBondContact O-CE1 3Å; D55-H76 PolarHBondContact O-NE2 3.01Å; L58-H76 HydrophobicContact CB-CB 4.3Å; L58-H76 WeakPolarHBondContact CB-ND1 3.34Å; L58-H76 HydrophobicContact CD1-CB 4.28Å; L58-H76 PolarHBondContact O-ND1 3.22Å; P59-H76 WeakPolarHBondContact O-CA 3.48Å; P59-H76 PolarHBondContact O-ND1 2.9Å; L60-H76 VanDerWaalsContact CD2-CE1 3.4Å; L60-H76 WeakPolarHBondContact CD2-CE1 3.22Å; H76-F78 HydrophobicContact CB-CE2 4.01Å; H76-E83 CarbonylContact O-C 3.55Å; H76-E83 WeakPolarHBondContact O-CA 3.47Å; H76-K84 PolarHBondContact N-O 2.95Å; H76-K84 PolarHBondContact O-N 3.32Å; H76-I86 WeakPolarHBondContact CD2-CD1 3.37Å; H76-I86 WeakPolarHBondContact NE2-CD1 3.42Å
77R90.6Very high79.5Confident60 Ų6035.6 Ų35.623%0.22621%0.213CC..EExtended strand (participates in β ladder)trans-95.5116.3166.8-174.2179.6-70.3177.92.4109.2P59 V61 E83 I127 E168P59-R77 HydrophobicContact CB-CB 4.32Å; P59-R77 WeakPolarHBondContact CD-O 3.26Å; P59-R77 PolarHBondContact O-N 3.23Å; V61-R77 HydrophobicContact CG2-CB 3.89Å; R77-E83 HydrophobicContact CB-CG 4.02Å; R77-E83 HydrophobicContact CG-CG 4.06Å; R77-E83 IonicContact CZ-OE1 3.53Å; R77-E83 VanDerWaalsContact CZ-OE1 3.26Å; R77-E83 IonicContact NE-OE1 2.78Å; R77-E83 PolarHBondContact NE-OE1 3.31Å; R77-E83 IonicContact NH2-OE1 2.84Å; R77-E83 PolarHBondContact NH2-OE1 3.18Å; R77-I127 VanDerWaalsContact CZ-CD1 3.46Å; R77-E168 IonicContact NH1-OE1 3.24Å; R77-E168 IonicContact NH2-OE1 3.89Å; R77-E168 IonicContact NH2-OE2 3.13Å; R77-E168 PolarHBondContact NH2-OE2 3.46Å
78F88Confident79.9Confident57 Ų5737.9 Ų37.925%0.2522%0.221CC..PPolyproline II helixtrans-82.2161.3177-71.1-95.1000111.2V52 L58 H76 S80 G81 M82 K84V52-F78 HydrophobicContact CG1-CZ 3.9Å; V52-F78 HydrophobicContact CG2-CE2 4.27Å; V52-F78 HydrophobicContact CG2-CZ 4.08Å; L58-F78 HydrophobicContact CD1-CD1 4.07Å; L58-F78 HydrophobicContact CD1-CE1 3.66Å; L58-F78 HydrophobicContact CD1-CZ 3.99Å; H76-F78 HydrophobicContact CB-CE2 4.01Å; F78-S80 PolarHBondContact O-N 2.85Å; F78-S80 VanDerWaalsContact O-N 3.09Å; F78-G81 PolarHBondContact O-N 3.24Å; F78-M82 WeakPolarHBondContact CD2-O 3.3Å; F78-M82 PolarHBondContact N-O 2.89Å; F78-K84 HydrophobicContact CD2-CB 4.46Å; F78-K84 HydrophobicContact CD2-CD 4.34Å; F78-K84 HydrophobicContact CD2-CG 4.03Å; F78-K84 HydrophobicContact CE2-CB 3.74Å; F78-K84 HydrophobicContact CE2-CD 3.67Å; F78-K84 HydrophobicContact CE2-CG 3.59Å; F78-K84 HydrophobicContact CZ-CD 4.04Å; F78-K84 HydrophobicContact CZ-CG 4.44Å
79A85.8Confident80.3Confident115 Ų11531.8 Ų31.895%0.9519%0.194SC*.THydrogen-bonded Turntrans-56.4-26.1176.300000113.4G81A79-G81 PolarHBondContact O-N 3.12Å
80S84.6Confident80.9Confident95 Ų9533.7 Ų33.766%0.66421%0.211SC*.THydrogen-bonded Turntrans-71.6-3.3173.959.60000114.4F78 M82F78-S80 PolarHBondContact O-N 2.85Å; F78-S80 VanDerWaalsContact O-N 3.09Å; S80-M82 PolarHBondContact O-N 3.34Å; S80-M82 WeakPolarHBondContact OG-CB 3.43Å; S80-M82 PolarHBondContact OG-N 3.05Å
81G83.2Confident81.1Confident54 Ų5434.8 Ų34.856%0.55722%0.215SC*.SBendtrans77.5-1.4-171.200000113.8F78 A79F78-G81 PolarHBondContact O-N 3.24Å; A79-G81 PolarHBondContact O-N 3.12Å
82M83.6Confident81.2Confident64 Ų6436.9 Ų36.932%0.31523%0.226SC..  trans-75134.6175.2-170.6-177.6-66.200110.1F7 F78 S80 K84F7-M82 HydrophobicContact CD1-SD 4.29Å; F7-M82 HydrophobicContact CE1-CG 4.02Å; F7-M82 HydrophobicContact CE1-SD 3.88Å; F78-M82 WeakPolarHBondContact CD2-O 3.3Å; F78-M82 PolarHBondContact N-O 2.89Å; S80-M82 PolarHBondContact O-N 3.34Å; S80-M82 WeakPolarHBondContact OG-CB 3.43Å; S80-M82 PolarHBondContact OG-N 3.05Å; M82-K84 HydrophobicContact CG-CG 4.47Å; M82-K84 HydrophobicContact SD-CG 4.33Å
83E86.5Confident81.2Confident11 Ų1137.1 Ų37.15%0.05123%0.227CC..EExtended strand (participates in β ladder)trans-107.2118.4175.3-68.6176.717300109.7F7 Y63 C75 H76 R77 K129F7-E83 WeakPolarHBondContact CZ-O 3.45Å; Y63-E83 VanDerWaalsContact CE2-OE2 3.23Å; Y63-E83 WeakPolarHBondContact CE2-OE2 3.26Å; Y63-E83 PolarHBondContact OH-OE2 3.28Å; C75-E83 HydrophobicContact CB-CB 4.39Å; H76-E83 CarbonylContact O-C 3.55Å; H76-E83 WeakPolarHBondContact O-CA 3.47Å; R77-E83 HydrophobicContact CB-CG 4.02Å; R77-E83 HydrophobicContact CG-CG 4.06Å; R77-E83 IonicContact CZ-OE1 3.53Å; R77-E83 VanDerWaalsContact CZ-OE1 3.26Å; R77-E83 IonicContact NE-OE1 2.78Å; R77-E83 PolarHBondContact NE-OE1 3.31Å; R77-E83 IonicContact NH2-OE1 2.84Å; R77-E83 PolarHBondContact NH2-OE1 3.18Å; E83-K129 IonicContact OE1-NZ 3.88Å; E83-K129 PolarHBondContact OE1-NZ 2.76Å; E83-K129 IonicContact OE2-NZ 3.26Å; E83-K129 PolarHBondContact OE2-NZ 2.86Å
84K82.4Confident81Confident63 Ų6339.4 Ų39.427%0.27424%0.241SC..EExtended strand (participates in β ladder)trans-109.7139.3176.7-57.3-173.5166.6-172.40110.8F7 V52 C75 H76 F78 M82F7-K84 HydrophobicContact CD1-CD 4.48Å; F7-K84 HydrophobicContact CD1-CG 4.03Å; F7-K84 HydrophobicContact CE1-CB 4.29Å; F7-K84 HydrophobicContact CE1-CG 3.62Å; V52-K84 HydrophobicContact CB-CB 4.46Å; V52-K84 HydrophobicContact CG2-CB 3.39Å; V52-K84 HydrophobicContact CG2-CD 3.35Å; V52-K84 HydrophobicContact CG2-CG 3.98Å; C75-K84 CarbonylContact C-O 3.6Å; C75-K84 WeakPolarHBondContact CA-O 3.41Å; C75-K84 WeakPolarHBondContact CB-O 3.39Å; H76-K84 PolarHBondContact N-O 2.95Å; H76-K84 PolarHBondContact O-N 3.32Å; F78-K84 HydrophobicContact CD2-CB 4.46Å; F78-K84 HydrophobicContact CD2-CD 4.34Å; F78-K84 HydrophobicContact CD2-CG 4.03Å; F78-K84 HydrophobicContact CE2-CB 3.74Å; F78-K84 HydrophobicContact CE2-CD 3.67Å; F78-K84 HydrophobicContact CE2-CG 3.59Å; F78-K84 HydrophobicContact CZ-CD 4.04Å; F78-K84 HydrophobicContact CZ-CG 4.44Å; M82-K84 HydrophobicContact CG-CG 4.47Å; M82-K84 HydrophobicContact SD-CG 4.33Å
85P82.8Confident80.7Confident0 Ų044.3 Ų44.30%027%0.267CS..EExtended strand (participates in β ladder)trans-69.9141.5-179.430.1-35.5000112.2Y4 T50 L51 V52 F88Y4-P85 HydrophobicContact CE1-CG 4.5Å; T50-P85 WeakPolarHBondContact O-CD 3.33Å; T50-P85 VanDerWaalsContact O-CG 3.32Å; T50-P85 WeakPolarHBondContact O-CG 3.46Å; L51-P85 CarbonylContact C-O 3.59Å; L51-P85 WeakPolarHBondContact CA-O 3.45Å; L51-P85 HydrophobicContact CD2-CB 4.11Å; L51-P85 HydrophobicContact CD2-CG 4.1Å; V52-P85 PolarHBondContact N-O 3.49Å; P85-F88 HydrophobicContact CB-CD2 4.49Å; P85-F88 HydrophobicContact CB-CE1 3.99Å; P85-F88 HydrophobicContact CB-CE2 3.5Å; P85-F88 VanDerWaalsContact CB-CE2 3.5Å; P85-F88 HydrophobicContact CB-CZ 3.17Å; P85-F88 HydrophobicContact CG-CE2 3.83Å; P85-F88 HydrophobicContact CG-CZ 3.59Å
86I83.6Confident80.5Confident17 Ų1748.5 Ų48.59%0.08729%0.293CS..EExtended strand (participates in β ladder)trans-96.7-48.5169.2-55.3173.5000108.7Y54 L60 L74 H76Y54-I86 HydrophobicContact CD2-CD1 4.1Å; L60-I86 HydrophobicContact CD2-CD1 3.6Å; L74-I86 HydrophobicContact CD2-CB 4.38Å; L74-I86 HydrophobicContact CD2-CD1 4.02Å; L74-I86 HydrophobicContact CG-CB 4.48Å; L74-I86 HydrophobicContact CG-CD1 4.05Å; L74-I86 PolarHBondContact O-N 2.98Å; H76-I86 WeakPolarHBondContact CD2-CD1 3.37Å; H76-I86 WeakPolarHBondContact NE2-CD1 3.42Å
87A78.7Confident80.2Confident24 Ų2448.6 Ų48.620%0.19829%0.293CS..EExtended strand (participates in β ladder)trans-154.9150.6-176.800000111.5L74 F117L74-A87 PolarHBondContact N-O 3.33Å; L74-A87 PolarHBondContact O-N 2.92Å; A87-F117 HydrophobicContact CB-CD1 4.42Å; A87-F117 HydrophobicContact CB-CE1 3.64Å; A87-F117 HydrophobicContact CB-CZ 4.38Å
88F78.7Confident79.6Confident70 Ų7049.3 Ų49.331%0.30730%0.298SS..EExtended strand (participates in β ladder)trans-116143.1174.4-63.4-78000110Y4 L51 A73 P85 L177 L181Y4-F88 HydrophobicContact CE1-CE2 4.34Å; Y4-F88 AromaticContact CE1-CZ 3.71Å; Y4-F88 HydrophobicContact CE1-CZ 3.71Å; Y4-F88 AromaticContact CZ-CZ 3.79Å; Y4-F88 WeakPolarHBondContact OH-CE1 3.47Å; Y4-F88 WeakPolarHBondContact OH-CZ 3.12Å; L51-F88 HydrophobicContact CD2-CD2 4.14Å; L51-F88 HydrophobicContact CD2-CE2 3.8Å; A73-F88 HydrophobicContact CB-CD1 3.54Å; A73-F88 HydrophobicContact CB-CE1 3.71Å; P85-F88 HydrophobicContact CB-CD2 4.49Å; P85-F88 HydrophobicContact CB-CE1 3.99Å; P85-F88 HydrophobicContact CB-CE2 3.5Å; P85-F88 VanDerWaalsContact CB-CE2 3.5Å; P85-F88 HydrophobicContact CB-CZ 3.17Å; P85-F88 HydrophobicContact CG-CE2 3.83Å; P85-F88 HydrophobicContact CG-CZ 3.59Å; F88-L177 HydrophobicContact CE1-CD2 4.24Å; F88-L181 HydrophobicContact CD1-CD1 3.61Å; F88-L181 HydrophobicContact CE1-CD1 4.11Å; F88-L181 HydrophobicContact CG-CD1 4.26Å
89A70.4Confident79.5Confident8 Ų856.6 Ų56.67%0.06632%0.324CS..EExtended strand (participates in β ladder)trans-138.8135.5174.600000109.5G72 F112 K116 F117G72-A89 PolarHBondContact N-O 2.95Å; G72-A89 PolarHBondContact O-N 3.11Å; A89-F112 HydrophobicContact CB-CE1 3.87Å; A89-F112 HydrophobicContact CB-CZ 3.98Å; A89-K116 HydrophobicContact CB-CB 4.37Å; A89-K116 HydrophobicContact CB-CG 3.68Å; A89-F117 HydrophobicContact CB-CE1 4.3Å; A89-F117 HydrophobicContact CB-CE2 4.06Å; A89-F117 HydrophobicContact CB-CZ 3.58Å
90S70.2Confident79.4Confident67 Ų6752.6 Ų52.647%0.46928%0.284SS..EExtended strand (participates in β ladder)trans-138.4149.9174.165.20000109.3
91R68Low79.5Confident25 Ų2550.8 Ų50.89%0.09428%0.275CS..EExtended strand (participates in β ladder)trans-142.7140.9176.2-163.7-177.175106.3-0.8110.2G70 E97 F112G70-R91 PolarHBondContact N-O 2.89Å; G70-R91 PolarHBondContact O-N 3.23Å; R91-E97 IonicContact CZ-OE1 3.61Å; R91-E97 IonicContact CZ-OE2 3.8Å; R91-E97 IonicContact NH1-OE2 3.25Å; R91-E97 IonicContact NH2-OE1 3.85Å; R91-E97 PolarHBondContact NH2-OE1 2.88Å; R91-E97 IonicContact NH2-OE2 2.75Å; R91-E97 PolarHBondContact NH2-OE2 3.32Å; R91-F112 HydrophobicContact CB-CD2 4.07Å; R91-F112 HydrophobicContact CB-CE1 4.11Å; R91-F112 HydrophobicContact CB-CE2 3.59Å; R91-F112 HydrophobicContact CB-CZ 3.61Å; R91-F112 HydrophobicContact CG-CE2 4.21Å
92L71.2Confident79.5Confident45 Ų4550.7 Ų50.724%0.23627%0.269CS..EExtended strand (participates in β ladder)trans-70134167.7-63.5176.5000109.4R69 I191R69-L92 HydrophobicContact CG-CD2 3.89Å; L92-I191 HydrophobicContact CB-CD1 4.12Å; L92-I191 HydrophobicContact CD1-CD1 4.19Å; L92-I191 HydrophobicContact CD1-CG1 4.49Å
93L72.7Confident79.6Confident5 Ų549.8 Ų49.83%0.02627%0.265CS..PPolyproline II helixtrans-72.9137.7169.5-61.9-176.4000108.8C67 E68 E97 K98 R105 L108C67-L93 WeakPolarHBondContact O-CD1 3.31Å; E68-L93 WeakPolarHBondContact O-CB 3.37Å; L93-E97 HydrophobicContact CB-CB 4.05Å; L93-E97 HydrophobicContact CD2-CB 4.37Å; L93-K98 HydrophobicContact CB-CG 3.81Å; L93-K98 WeakPolarHBondContact O-CE 3.1Å; L93-R105 HydrophobicContact CD1-CG 4.35Å; L93-L108 HydrophobicContact CD2-CD2 3.54Å
94T77Confident79.6Confident48 Ų4849.7 Ų49.729%0.29427%0.265SS..PPolyproline II helixtrans-65.8160.9170.659.70000110.6V96 E97 K98T94-V96 PolarHBondContact O-N 3.02Å; T94-V96 VanDerWaalsContact O-N 3.1Å; T94-E97 WeakPolarHBondContact CB-OE2 3.32Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.3Å; T94-E97 PolarHBondContact N-OE2 3.33Å; T94-E97 PolarHBondContact O-N 3.39Å; T94-E97 WeakPolarHBondContact OG1-CB 3.44Å; T94-E97 WeakPolarHBondContact OG1-CG 3.39Å; T94-E97 PolarHBondContact OG1-N 3.3Å; T94-E97 PolarHBondContact OG1-OE2 3.22Å; T94-K98 WeakPolarHBondContact O-CG 3.35Å; T94-K98 PolarHBondContact O-N 3.11Å
95D77.9Confident79.7Confident102 Ų10249.9 Ų49.955%0.54526%0.264SS..Hα-helixtrans-60.1-26.2-179.5-62.6-32.4000113.6K98 R99D95-K98 IonicContact OD1-NZ 3.66Å; D95-K98 PolarHBondContact OD1-NZ 3.13Å; D95-K98 VanDerWaalsContact OD1-NZ 3.15Å; D95-R99 WeakPolarHBondContact O-CD 3.31Å; D95-R99 VanDerWaalsContact O-CG 3.31Å; D95-R99 WeakPolarHBondContact O-CG 3.47Å; D95-R99 PolarHBondContact O-NE 3.49Å
96V85Confident79.9Confident88 Ų8850.9 Ų50.953%0.53327%0.269SS..Hα-helixtrans-72.5-45.3172.7179.90000110.8T94 R99 Y100T94-V96 PolarHBondContact O-N 3.02Å; T94-V96 VanDerWaalsContact O-N 3.1Å; V96-R99 PolarHBondContact O-N 3.12Å; V96-Y100 HydrophobicContact CG1-CE1 3.89Å; V96-Y100 VanDerWaalsContact O-CD1 3.29Å; V96-Y100 WeakPolarHBondContact O-CD1 3.5Å; V96-Y100 WeakPolarHBondContact O-CE1 3.4Å
97E82.9Confident80.1Confident3 Ų350.1 Ų50.11%0.01427%0.265CS..Hα-helixtrans-68.9-34.5179.5-68.6164.5144.200112.7R91 L93 T94 R99 Y100 L108R91-E97 IonicContact CZ-OE1 3.61Å; R91-E97 IonicContact CZ-OE2 3.8Å; R91-E97 IonicContact NH1-OE2 3.25Å; R91-E97 IonicContact NH2-OE1 3.85Å; R91-E97 PolarHBondContact NH2-OE1 2.88Å; R91-E97 IonicContact NH2-OE2 2.75Å; R91-E97 PolarHBondContact NH2-OE2 3.32Å; L93-E97 HydrophobicContact CB-CB 4.05Å; L93-E97 HydrophobicContact CD2-CB 4.37Å; T94-E97 WeakPolarHBondContact CB-OE2 3.32Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.3Å; T94-E97 PolarHBondContact N-OE2 3.33Å; T94-E97 PolarHBondContact O-N 3.39Å; T94-E97 WeakPolarHBondContact OG1-CB 3.44Å; T94-E97 WeakPolarHBondContact OG1-CG 3.39Å; T94-E97 PolarHBondContact OG1-N 3.3Å; T94-E97 PolarHBondContact OG1-OE2 3.22Å; E97-R99 PolarHBondContact O-N 3.01Å; E97-Y100 HydrophobicContact CB-CD2 4.21Å; E97-Y100 HydrophobicContact CB-CE2 4.02Å; E97-Y100 HydrophobicContact CG-CD2 4.32Å; E97-Y100 HydrophobicContact CG-CE2 3.64Å; E97-Y100 VanDerWaalsContact O-CB 3.3Å; E97-Y100 WeakPolarHBondContact O-CB 3.29Å; E97-Y100 PolarHBondContact O-N 3.44Å; E97-L108 HydrophobicContact CB-CD2 3.83Å; E97-L108 HydrophobicContact CG-CD2 3.75Å
98K79.7Confident80.5Confident75 Ų7549.7 Ų49.733%0.32626%0.259SS..Hα-helixtrans-57.9-30.5172.7-71.8177.2-171.8162.80111.9L93 T94 D95 Y100L93-K98 HydrophobicContact CB-CG 3.81Å; L93-K98 WeakPolarHBondContact O-CE 3.1Å; T94-K98 WeakPolarHBondContact O-CG 3.35Å; T94-K98 PolarHBondContact O-N 3.11Å; D95-K98 IonicContact OD1-NZ 3.66Å; D95-K98 PolarHBondContact OD1-NZ 3.13Å; D95-K98 VanDerWaalsContact OD1-NZ 3.15Å; K98-Y100 VanDerWaalsContact C-N 3.33Å
99R84.2Confident80.8Confident209 Ų20946.4 Ų46.479%0.78925%0.245SC*.THydrogen-bonded Turntrans-84.2-2.8179.2-64.5171-167.4-177.23.7113.7D95 V96 E97D95-R99 WeakPolarHBondContact O-CD 3.31Å; D95-R99 VanDerWaalsContact O-CG 3.31Å; D95-R99 WeakPolarHBondContact O-CG 3.47Å; D95-R99 PolarHBondContact O-NE 3.49Å; V96-R99 PolarHBondContact O-N 3.12Å; E97-R99 PolarHBondContact O-N 3.01Å
100Y84.7Confident81.6Confident31 Ų3146 Ų4612%0.12224%0.241CC..SBendtrans-67153.6176.2-66-10.9000111.4V96 E97 K98 D104 R105 L108 R152V96-Y100 HydrophobicContact CG1-CE1 3.89Å; V96-Y100 VanDerWaalsContact O-CD1 3.29Å; V96-Y100 WeakPolarHBondContact O-CD1 3.5Å; V96-Y100 WeakPolarHBondContact O-CE1 3.4Å; E97-Y100 HydrophobicContact CB-CD2 4.21Å; E97-Y100 HydrophobicContact CB-CE2 4.02Å; E97-Y100 HydrophobicContact CG-CD2 4.32Å; E97-Y100 HydrophobicContact CG-CE2 3.64Å; E97-Y100 VanDerWaalsContact O-CB 3.3Å; E97-Y100 WeakPolarHBondContact O-CB 3.29Å; E97-Y100 PolarHBondContact O-N 3.44Å; K98-Y100 VanDerWaalsContact C-N 3.33Å; Y100-D104 HydrophobicContact CD2-CB 4.44Å; Y100-D104 HydrophobicContact CG-CB 4.41Å; Y100-R105 PolarHBondContact O-NE 2.96Å; Y100-L108 HydrophobicContact CD2-CD2 4.48Å; Y100-L108 HydrophobicContact CE2-CD2 4.47Å; Y100-R152 VanDerWaalsContact CZ-CZ 3.46Å; Y100-R152 VanDerWaalsContact CZ-NH2 3.27Å
101A85.8Confident82.5Confident58 Ų5843.7 Ų43.748%0.47922%0.224SC..  trans-55.5152.4171.100000110.3I103 D104 R105A101-I103 VanDerWaalsContact C-N 3.27Å; A101-I103 HydrophobicContact CB-CG2 4.26Å; A101-I103 PolarHBondContact O-N 3.21Å; A101-D104 WeakPolarHBondContact O-CB 3.05Å; A101-D104 PolarHBondContact O-N 2.71Å; A101-R105 PolarHBondContact O-N 3.35Å
102A84.1Confident83.2Confident52 Ų5243.5 Ų43.543%0.4322%0.224SC..Hα-helixtrans-51.7-47.1-17800000112.1D104 R105 E106A102-D104 VanDerWaalsContact C-N 3.29Å; A102-D104 PolarHBondContact O-N 2.83Å; A102-R105 PolarHBondContact O-N 3.12Å; A102-R105 VanDerWaalsContact O-N 3.11Å; A102-E106 WeakPolarHBondContact O-CG 3.3Å; A102-E106 PolarHBondContact O-N 3.42Å
103I85.2Confident83.8Confident45 Ų4541.4 Ų41.423%0.23121%0.212CC..Hα-helixtrans-58.7-37.6177.8-165.5164.8000113.8A101 A107 P134 L135 I138A101-I103 VanDerWaalsContact C-N 3.27Å; A101-I103 HydrophobicContact CB-CG2 4.26Å; A101-I103 PolarHBondContact O-N 3.21Å; I103-A107 WeakPolarHBondContact O-CB 3.08Å; I103-A107 PolarHBondContact O-N 3.1Å; I103-P134 HydrophobicContact CD1-CB 3.81Å; I103-L135 HydrophobicContact CG1-CD2 3.91Å; I103-L135 HydrophobicContact CG1-CG 4.46Å; I103-I138 HydrophobicContact CD1-CD1 3.51Å; I103-I138 HydrophobicContact CG1-CD1 4.37Å
104D86.1Confident84.5Confident9 Ų941.2 Ų41.25%0.04821%0.211CC..Hα-helixtrans-73.4-34.6179.1-81.6-7000111Y100 A101 A102 L108 R152 W156Y100-D104 HydrophobicContact CD2-CB 4.44Å; Y100-D104 HydrophobicContact CG-CB 4.41Å; A101-D104 WeakPolarHBondContact O-CB 3.05Å; A101-D104 PolarHBondContact O-N 2.71Å; A102-D104 VanDerWaalsContact C-N 3.29Å; A102-D104 PolarHBondContact O-N 2.83Å; D104-L108 VanDerWaalsContact O-CB 3.27Å; D104-L108 WeakPolarHBondContact O-CB 3.49Å; D104-L108 PolarHBondContact O-N 3.06Å; D104-R152 IonicContact OD2-CZ 3.63Å; D104-R152 IonicContact OD2-NH1 2.85Å; D104-R152 PolarHBondContact OD2-NH1 3.15Å; D104-W156 VanDerWaalsContact O-CH2 3.27Å; D104-W156 WeakPolarHBondContact O-CH2 3.44Å; D104-W156 VanDerWaalsContact O-CZ3 3.26Å; D104-W156 WeakPolarHBondContact O-CZ3 3.49Å
105R84.6Confident84.9Confident67 Ų6741.2 Ų41.225%0.25321%0.214SC..Hα-helixtrans-66.3-45.1174.8-70.7-171.3-75.7153-3.4111A66 C67 L93 Y100 A101 A102 A107 L108 A109A66-R105 HydrophobicContact CB-CB 4Å; A66-R105 WeakPolarHBondContact CB-O 3.32Å; C67-R105 PolarHBondContact O-NH1 3.34Å; L93-R105 HydrophobicContact CD1-CG 4.35Å; Y100-R105 PolarHBondContact O-NE 2.96Å; A101-R105 PolarHBondContact O-N 3.35Å; A102-R105 PolarHBondContact O-N 3.12Å; A102-R105 VanDerWaalsContact O-N 3.11Å; R105-A107 PolarHBondContact O-N 2.7Å; R105-L108 WeakPolarHBondContact O-CB 3.39Å; R105-L108 PolarHBondContact O-N 2.56Å; R105-A109 PolarHBondContact O-N 3.27Å
106E87.2Confident85.1Confident21 Ų2141.8 Ų41.810%0.09821%0.211CC..Hα-helixtrans-61.7-45.2177.3-63.7-64.8170.200111.9A66 A102 L108 A109 I110 H132 L135A66-E106 VanDerWaalsContact CB-CA 3.5Å; A66-E106 HydrophobicContact CB-CB 4.47Å; A66-E106 HydrophobicContact CB-CG 4.35Å; A66-E106 WeakPolarHBondContact CB-OE2 3.46Å; A66-E106 PolarHBondContact N-OE2 3.28Å; A66-E106 VanDerWaalsContact O-OE1 3.05Å; A102-E106 WeakPolarHBondContact O-CG 3.3Å; A102-E106 PolarHBondContact O-N 3.42Å; E106-L108 VanDerWaalsContact C-N 3.3Å; E106-L108 PolarHBondContact O-N 3.31Å; E106-A109 PolarHBondContact O-N 3.49Å; E106-A109 VanDerWaalsContact O-N 3.14Å; E106-I110 PolarHBondContact O-N 2.89Å; E106-H132 HydrophobicContact CB-CB 4.18Å; E106-H132 HydrophobicContact CG-CB 3.89Å; E106-L135 HydrophobicContact CB-CD1 3.33Å; E106-L135 HydrophobicContact CG-CD1 4.48Å
107A87.9Confident85.1Confident0 Ų037.9 Ų37.90%019%0.187CC..Hα-helixtrans-66.3-33.2176.200000112.3I103 R105 I110 M111 L135 F139 L153 W156I103-A107 WeakPolarHBondContact O-CB 3.08Å; I103-A107 PolarHBondContact O-N 3.1Å; R105-A107 PolarHBondContact O-N 2.7Å; A107-I110 WeakPolarHBondContact O-CB 3.27Å; A107-I110 PolarHBondContact O-N 2.84Å; A107-M111 WeakPolarHBondContact O-CG 3.27Å; A107-M111 PolarHBondContact O-N 3.23Å; A107-L135 HydrophobicContact CB-CD1 4.44Å; A107-L135 HydrophobicContact CB-CD2 3.88Å; A107-F139 HydrophobicContact CB-CE2 3.84Å; A107-F139 HydrophobicContact CB-CZ 3.95Å; A107-L153 HydrophobicContact CB-CD2 3.62Å; A107-W156 HydrophobicContact CB-CE3 3.45Å; A107-W156 VanDerWaalsContact CB-CE3 3.45Å; A107-W156 HydrophobicContact CB-CZ3 3.45Å; A107-W156 VanDerWaalsContact CB-CZ3 3.45Å
108L87.3Confident85.2Confident16 Ų1639.1 Ų39.18%0.08420%0.197CC..Hα-helixtrans-62.8-40171.6-175.773.2000111.8L93 E97 Y100 D104 R105 E106 M111 F112 W156L93-L108 HydrophobicContact CD2-CD2 3.54Å; E97-L108 HydrophobicContact CB-CD2 3.83Å; E97-L108 HydrophobicContact CG-CD2 3.75Å; Y100-L108 HydrophobicContact CD2-CD2 4.48Å; Y100-L108 HydrophobicContact CE2-CD2 4.47Å; D104-L108 VanDerWaalsContact O-CB 3.27Å; D104-L108 WeakPolarHBondContact O-CB 3.49Å; D104-L108 PolarHBondContact O-N 3.06Å; R105-L108 WeakPolarHBondContact O-CB 3.39Å; R105-L108 PolarHBondContact O-N 2.56Å; E106-L108 VanDerWaalsContact C-N 3.3Å; E106-L108 PolarHBondContact O-N 3.31Å; L108-M111 PolarHBondContact O-N 3.01Å; L108-F112 WeakPolarHBondContact O-CB 3.32Å; L108-F112 PolarHBondContact O-N 2.97Å; L108-W156 HydrophobicContact CB-CH2 3.7Å; L108-W156 HydrophobicContact CB-CZ2 4.13Å; L108-W156 HydrophobicContact CB-CZ3 4.44Å; L108-W156 HydrophobicContact CD1-CH2 4.05Å; L108-W156 HydrophobicContact CD1-CZ2 3.62Å; L108-W156 HydrophobicContact CG-CH2 4.48Å; L108-W156 HydrophobicContact CG-CZ2 4.5Å
109A84.4Confident85.5Confident0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-66.4-39.317600000112.4D65 A66 R105 E106 F112 G113D65-A109 WeakPolarHBondContact O-CB 3.41Å; A66-A109 HydrophobicContact CB-CB 3.61Å; R105-A109 PolarHBondContact O-N 3.27Å; E106-A109 PolarHBondContact O-N 3.49Å; E106-A109 VanDerWaalsContact O-N 3.14Å; A109-F112 PolarHBondContact O-N 2.91Å; A109-G113 PolarHBondContact O-N 3.18Å
110I88Confident85.6Confident0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-57-51.7170.9-68166.5000109.9S64 E106 A107 F112 G113 V114 L128 L135 F139 L160S64-I110 VanDerWaalsContact OG-CG1 3.23Å; S64-I110 WeakPolarHBondContact OG-CG1 3.47Å; E106-I110 PolarHBondContact O-N 2.89Å; A107-I110 WeakPolarHBondContact O-CB 3.27Å; A107-I110 PolarHBondContact O-N 2.84Å; I110-F112 VanDerWaalsContact C-N 3.3Å; I110-F112 PolarHBondContact O-N 3.4Å; I110-G113 PolarHBondContact O-N 2.95Å; I110-G113 VanDerWaalsContact O-N 3.16Å; I110-V114 HydrophobicContact CG2-CG2 4.33Å; I110-V114 WeakPolarHBondContact O-CG2 3.34Å; I110-V114 PolarHBondContact O-N 3.3Å; I110-L128 HydrophobicContact CB-CD2 4.48Å; I110-L128 HydrophobicContact CD1-CD2 3.96Å; I110-L128 HydrophobicContact CG1-CD1 4.25Å; I110-L128 HydrophobicContact CG1-CD2 4.08Å; I110-L128 HydrophobicContact CG2-CD1 4.08Å; I110-L128 HydrophobicContact CG2-CD2 3.57Å; I110-L128 HydrophobicContact CG2-CG 4.48Å; I110-L135 HydrophobicContact CD1-CB 4.37Å; I110-L135 HydrophobicContact CD1-CD1 3.61Å; I110-L135 HydrophobicContact CD1-CG 4.48Å; I110-F139 HydrophobicContact CD1-CD2 4.08Å; I110-F139 HydrophobicContact CD1-CE2 4.03Å; I110-L160 HydrophobicContact CG2-CD1 4.15Å; I110-L160 HydrophobicContact CG2-CD2 4.22Å
111M88.3Confident85.8Confident19 Ų1934.4 Ų34.49%0.09419%0.185CC..Hα-helixtrans-60.1-40.9-179.9-73.9-53.5-51.400112.4A107 L108 S115 W156 I159 L160A107-M111 WeakPolarHBondContact O-CG 3.27Å; A107-M111 PolarHBondContact O-N 3.23Å; L108-M111 PolarHBondContact O-N 3.01Å; M111-S115 WeakPolarHBondContact O-CB 3.42Å; M111-S115 PolarHBondContact O-N 3.11Å; M111-W156 HydrophobicContact CG-CB 3.81Å; M111-W156 HydrophobicContact CG-CD2 3.81Å; M111-W156 HydrophobicContact CG-CE3 4.5Å; M111-W156 HydrophobicContact CG-CG 3.49Å; M111-W156 VanDerWaalsContact CG-CG 3.49Å; M111-W156 HydrophobicContact SD-CB 3.72Å; M111-W156 HydrophobicContact SD-CG 3.97Å; M111-I159 HydrophobicContact CE-CB 3.81Å; M111-I159 HydrophobicContact CE-CD1 3.97Å; M111-I159 HydrophobicContact CE-CG2 3.58Å; M111-L160 HydrophobicContact SD-CD1 4.08Å; M111-L160 HydrophobicContact SD-CD2 3.88Å; M111-L160 HydrophobicContact SD-CG 3.67Å
112F83.2Confident85.9Confident21 Ų2138.5 Ų38.59%0.09219%0.189CC..Hα-helixtrans-61.1-48.3174.5169.9-105.1000111.3A89 R91 L108 A109 I110 S115 K116A89-F112 HydrophobicContact CB-CE1 3.87Å; A89-F112 HydrophobicContact CB-CZ 3.98Å; R91-F112 HydrophobicContact CB-CD2 4.07Å; R91-F112 HydrophobicContact CB-CE1 4.11Å; R91-F112 HydrophobicContact CB-CE2 3.59Å; R91-F112 HydrophobicContact CB-CZ 3.61Å; R91-F112 HydrophobicContact CG-CE2 4.21Å; L108-F112 WeakPolarHBondContact O-CB 3.32Å; L108-F112 PolarHBondContact O-N 2.97Å; A109-F112 PolarHBondContact O-N 2.91Å; I110-F112 VanDerWaalsContact C-N 3.3Å; I110-F112 PolarHBondContact O-N 3.4Å; F112-S115 PolarHBondContact O-N 2.95Å; F112-K116 WeakPolarHBondContact O-CB 3.46Å; F112-K116 PolarHBondContact O-N 3.37Å
113G83Confident86.1Confident0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-58.9-50.6177.200000112.1A109 I110 S115 K116 F117A109-G113 PolarHBondContact O-N 3.18Å; I110-G113 PolarHBondContact O-N 2.95Å; I110-G113 VanDerWaalsContact O-N 3.16Å; G113-S115 PolarHBondContact O-N 3.41Å; G113-K116 PolarHBondContact O-N 3.06Å; G113-F117 WeakPolarHBondContact O-CB 3.23Å; G113-F117 WeakPolarHBondContact O-CD2 3.06Å; G113-F117 PolarHBondContact O-N 3.15Å
114V88.6Confident86.3Confident1 Ų139.6 Ų39.61%0.00620%0.202CC..Hα-helixtrans-63.2-43.2-179.91740000111.6L62 I110 F117 A118 L121 F126 L160 Y163L62-V114 HydrophobicContact CD2-CG2 3.6Å; I110-V114 HydrophobicContact CG2-CG2 4.33Å; I110-V114 WeakPolarHBondContact O-CG2 3.34Å; I110-V114 PolarHBondContact O-N 3.3Å; V114-F117 CarbonylContact O-C 3.04Å; V114-A118 VanDerWaalsContact O-CA 3.3Å; V114-A118 WeakPolarHBondContact O-CA 3.48Å; V114-A118 PolarHBondContact O-N 3.48Å; V114-L121 HydrophobicContact CB-CD1 4.38Å; V114-L121 HydrophobicContact CG1-CD1 4.32Å; V114-L121 HydrophobicContact CG2-CD1 4.3Å; V114-F126 HydrophobicContact CG2-CE2 4.41Å; V114-F126 HydrophobicContact CG2-CZ 4.1Å; V114-L160 HydrophobicContact CB-CD2 4.21Å; V114-L160 HydrophobicContact CG1-CD2 4.15Å; V114-L160 HydrophobicContact CG2-CD2 3.8Å; V114-Y163 HydrophobicContact CG1-CD1 4.29Å; V114-Y163 HydrophobicContact CG1-CD2 3.84Å; V114-Y163 HydrophobicContact CG1-CE1 3.98Å; V114-Y163 HydrophobicContact CG1-CE2 3.5Å; V114-Y163 VanDerWaalsContact CG1-CE2 3.5Å; V114-Y163 HydrophobicContact CG1-CG 4.22Å
115S85.8Confident86.5Confident49 Ų4942.9 Ų42.934%0.34323%0.225SC..Hα-helixtrans-65.6-43.3178.1179.90000111.9M111 F112 G113 A118 Q197M111-S115 WeakPolarHBondContact O-CB 3.42Å; M111-S115 PolarHBondContact O-N 3.11Å; F112-S115 PolarHBondContact O-N 2.95Å; G113-S115 PolarHBondContact O-N 3.41Å; S115-A118 WeakPolarHBondContact O-CB 3.49Å; S115-A118 PolarHBondContact O-N 2.94Å; S115-Q197 PolarHBondContact OG-NE2 2.99Å
116K81.4Confident86.9Confident113 Ų11339.8 Ų39.849%0.49121%0.214SC..Hα-helixtrans-68-37.4-179.3-171.367.3172.2-1710112.2A89 F112 G113A89-K116 HydrophobicContact CB-CB 4.37Å; A89-K116 HydrophobicContact CB-CG 3.68Å; F112-K116 WeakPolarHBondContact O-CB 3.46Å; F112-K116 PolarHBondContact O-N 3.37Å; G113-K116 PolarHBondContact O-N 3.06Å
117F84.1Confident87.2Confident7 Ų739.9 Ų39.93%0.03122%0.215CC..THydrogen-bonded Turntrans-97.815.6179.6-57.7-58.6000113.2L62 L74 A87 A89 G113 V114 Q119 Y120 L121L62-F117 HydrophobicContact CD1-CD2 3.57Å; L62-F117 HydrophobicContact CD1-CE2 3.86Å; L74-F117 HydrophobicContact CB-CD1 4.04Å; L74-F117 HydrophobicContact CB-CD2 4.05Å; L74-F117 HydrophobicContact CB-CE1 4.1Å; L74-F117 HydrophobicContact CB-CE2 4.1Å; L74-F117 HydrophobicContact CB-CG 4.02Å; L74-F117 HydrophobicContact CB-CZ 4.11Å; L74-F117 HydrophobicContact CD2-CB 4.3Å; L74-F117 HydrophobicContact CD2-CD1 4.19Å; L74-F117 HydrophobicContact CD2-CG 4.27Å; A87-F117 HydrophobicContact CB-CD1 4.42Å; A87-F117 HydrophobicContact CB-CE1 3.64Å; A87-F117 HydrophobicContact CB-CZ 4.38Å; A89-F117 HydrophobicContact CB-CE1 4.3Å; A89-F117 HydrophobicContact CB-CE2 4.06Å; A89-F117 HydrophobicContact CB-CZ 3.58Å; G113-F117 WeakPolarHBondContact O-CB 3.23Å; G113-F117 WeakPolarHBondContact O-CD2 3.06Å; G113-F117 PolarHBondContact O-N 3.15Å; V114-F117 CarbonylContact O-C 3.04Å; F117-Q119 PolarHBondContact O-N 2.9Å; F117-Q119 VanDerWaalsContact O-N 3.09Å; F117-Y120 HydrophobicContact CB-CD2 4.24Å; F117-Y120 HydrophobicContact CD1-CD2 4.08Å; F117-Y120 HydrophobicContact CD1-CE2 4.32Å; F117-Y120 PolarHBondContact O-N 3.07Å; F117-L121 HydrophobicContact CB-CD1 4.02Å; F117-L121 HydrophobicContact CB-CG 4.13Å; F117-L121 WeakPolarHBondContact O-CG 3.4Å; F117-L121 PolarHBondContact O-N 3.17Å
118A86.7Confident87.4Confident28 Ų2840 Ų4023%0.23122%0.215CC..Hα-helixtrans-52.6-39.4-175.300000112.6V114 S115 Y120 L121 Y122V114-A118 VanDerWaalsContact O-CA 3.3Å; V114-A118 WeakPolarHBondContact O-CA 3.48Å; V114-A118 PolarHBondContact O-N 3.48Å; S115-A118 WeakPolarHBondContact O-CB 3.49Å; S115-A118 PolarHBondContact O-N 2.94Å; A118-Y120 PolarHBondContact O-N 3.33Å; A118-L121 PolarHBondContact O-N 2.85Å; A118-Y122 VanDerWaalsContact O-CB 3.28Å; A118-Y122 WeakPolarHBondContact O-CB 3.19Å; A118-Y122 PolarHBondContact O-N 2.85Å
119Q84.8Confident87.5Confident155 Ų15540 Ų4072%0.72422%0.215SC*.Hα-helixtrans-60.7-27.2177.269.1-175.210.900114.5F117F117-Q119 PolarHBondContact O-N 2.9Å; F117-Q119 VanDerWaalsContact O-N 3.09Å
120Y86.2Confident87.6Confident62 Ų6240 Ų4024%0.24322%0.215CC..Hα-helixtrans-92.6-30.5177.9-60.4-72.5000112.5Y54 L60 L74 F117 A118Y54-Y120 AromaticContact CD2-CD1 3.38Å; Y54-Y120 HydrophobicContact CD2-CD1 3.38Å; Y54-Y120 HydrophobicContact CD2-CE1 4.05Å; Y54-Y120 HydrophobicContact CD2-CG 4.24Å; Y54-Y120 AromaticContact CE2-CD1 3.74Å; Y54-Y120 HydrophobicContact CE2-CD1 3.74Å; Y54-Y120 HydrophobicContact CE2-CG 4.34Å; Y54-Y120 AromaticContact CG-CD1 3.81Å; Y54-Y120 HydrophobicContact CG-CD1 3.81Å; Y54-Y120 HydrophobicContact CG-CE1 4.09Å; Y54-Y120 PolarHBondContact OH-O 3.23Å; L60-Y120 WeakPolarHBondContact CD1-O 3.42Å; L74-Y120 HydrophobicContact CD2-CD1 4.46Å; L74-Y120 HydrophobicContact CD2-CD2 3.73Å; L74-Y120 HydrophobicContact CD2-CG 3.69Å; F117-Y120 HydrophobicContact CB-CD2 4.24Å; F117-Y120 HydrophobicContact CD1-CD2 4.08Å; F117-Y120 HydrophobicContact CD1-CE2 4.32Å; F117-Y120 PolarHBondContact O-N 3.07Å; A118-Y120 PolarHBondContact O-N 3.33Å
121L89.5Confident87.5Confident0 Ų041.4 Ų41.40%022%0.222CC..Hα-helixtrans-90.2-26.9-172.8-60.7178.3000113L60 L62 L74 V114 F117 A118 G123 R124 F126 Y163L60-L121 HydrophobicContact CD1-CD2 4.22Å; L62-L121 HydrophobicContact CD2-CD1 4.11Å; L74-L121 HydrophobicContact CD1-CD2 3.76Å; V114-L121 HydrophobicContact CB-CD1 4.38Å; V114-L121 HydrophobicContact CG1-CD1 4.32Å; V114-L121 HydrophobicContact CG2-CD1 4.3Å; F117-L121 HydrophobicContact CB-CD1 4.02Å; F117-L121 HydrophobicContact CB-CG 4.13Å; F117-L121 WeakPolarHBondContact O-CG 3.4Å; F117-L121 PolarHBondContact O-N 3.17Å; A118-L121 PolarHBondContact O-N 2.85Å; L121-G123 PolarHBondContact O-N 2.85Å; L121-R124 PolarHBondContact O-N 3.48Å; L121-R124 VanDerWaalsContact O-N 3.13Å; L121-F126 HydrophobicContact CB-CD1 4.05Å; L121-F126 HydrophobicContact CB-CE1 3.95Å; L121-F126 HydrophobicContact CD1-CD1 4.44Å; L121-F126 HydrophobicContact CD1-CE1 4.06Å; L121-F126 HydrophobicContact CD1-CE2 4.38Å; L121-F126 HydrophobicContact CD1-CZ 4.04Å; L121-F126 HydrophobicContact CD2-CB 3.91Å; L121-F126 HydrophobicContact CD2-CD1 3.69Å; L121-F126 HydrophobicContact CD2-CD2 4.17Å; L121-F126 HydrophobicContact CD2-CE1 4.16Å; L121-F126 HydrophobicContact CD2-CG 3.68Å; L121-F126 HydrophobicContact CG-CD1 4.26Å; L121-F126 HydrophobicContact CG-CE1 4.27Å; L121-Y163 HydrophobicContact CB-CD1 4.23Å; L121-Y163 HydrophobicContact CB-CE1 4.24Å
122Y87.6Confident87.2Confident143 Ų14342.4 Ų42.456%0.56123%0.226SC*.THydrogen-bonded Turntrans-63.5127.6-174.6-160.1-100.7000111.2A118 R124 Y163A118-Y122 VanDerWaalsContact O-CB 3.28Å; A118-Y122 WeakPolarHBondContact O-CB 3.19Å; A118-Y122 PolarHBondContact O-N 2.85Å; Y122-R124 VanDerWaalsContact C-N 3.27Å; Y122-R124 PolarHBondContact O-N 2.84Å; Y122-Y163 HydrophobicContact CD2-CE1 4.11Å
123G87.3Confident87.1Confident76 Ų7647.2 Ų47.278%0.78425%0.247SC*.THydrogen-bonded Turntrans74.96.8-178.200000115.5L121L121-G123 PolarHBondContact O-N 2.85Å
124R90.2Very high87Confident44 Ų4449.7 Ų49.717%0.16626%0.263CS..SBendtrans-122.4147.3175.8-64.6-166.671.7-162.6-2.4111.7Y54 D55 D56 L58 L60 L121 Y122Y54-R124 VanDerWaalsContact CZ-NH1 3.35Å; Y54-R124 WeakPolarHBondContact OH-CD 3.06Å; Y54-R124 PolarHBondContact OH-NH1 3.09Å; D55-R124 PolarHBondContact O-NH1 2.77Å; D56-R124 VanDerWaalsContact C-NH2 3.28Å; D56-R124 PolarHBondContact O-NH2 3.03Å; L58-R124 PolarHBondContact O-NH2 3.2Å; L60-R124 HydrophobicContact CD1-CB 4.29Å; L121-R124 PolarHBondContact O-N 3.48Å; L121-R124 VanDerWaalsContact O-N 3.13Å; Y122-R124 VanDerWaalsContact C-N 3.27Å; Y122-R124 PolarHBondContact O-N 2.84Å
125C91.3Very high86.6Confident79 Ų7949.6 Ų49.653%0.53426%0.263SS..EExtended strand (participates in β ladder)trans-77.8128.8169.3-172.80000110E164C125-E164 VanDerWaalsContact CA-O 3.31Å; C125-E164 WeakPolarHBondContact CA-O 3.39Å; C125-E164 HydrophobicContact CB-CB 4.45Å
126F93Very high86.5Confident2 Ų251 Ų511%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-132.2161.1177.167.3-91.2000112.6L60 L62 V114 L121 L128 Y163 E164 Y165 S166L60-F126 HydrophobicContact CB-CB 3.78Å; L60-F126 WeakPolarHBondContact O-CA 3.25Å; L62-F126 HydrophobicContact CB-CD2 4.15Å; L62-F126 HydrophobicContact CB-CE2 4.39Å; L62-F126 HydrophobicContact CD2-CE2 4.28Å; V114-F126 HydrophobicContact CG2-CE2 4.41Å; V114-F126 HydrophobicContact CG2-CZ 4.1Å; L121-F126 HydrophobicContact CB-CD1 4.05Å; L121-F126 HydrophobicContact CB-CE1 3.95Å; L121-F126 HydrophobicContact CD1-CD1 4.44Å; L121-F126 HydrophobicContact CD1-CE1 4.06Å; L121-F126 HydrophobicContact CD1-CE2 4.38Å; L121-F126 HydrophobicContact CD1-CZ 4.04Å; L121-F126 HydrophobicContact CD2-CB 3.91Å; L121-F126 HydrophobicContact CD2-CD1 3.69Å; L121-F126 HydrophobicContact CD2-CD2 4.17Å; L121-F126 HydrophobicContact CD2-CE1 4.16Å; L121-F126 HydrophobicContact CD2-CG 3.68Å; L121-F126 HydrophobicContact CG-CD1 4.26Å; L121-F126 HydrophobicContact CG-CE1 4.27Å; F126-L128 HydrophobicContact CE2-CB 4.24Å; F126-Y163 HydrophobicContact CE1-CD1 4.17Å; F126-Y163 HydrophobicContact CE1-CG 4.31Å; F126-E164 WeakPolarHBondContact CD1-O 3.11Å; F126-E164 PolarHBondContact N-O 3.35Å; F126-Y165 HydrophobicContact CE2-CG 4.25Å; F126-Y165 HydrophobicContact CZ-CD1 4.26Å; F126-Y165 HydrophobicContact CZ-CG 4.08Å; F126-Y165 CarbonylContact O-C 3.47Å; F126-Y165 WeakPolarHBondContact O-CA 3.44Å; F126-Y165 VanDerWaalsContact O-CB 3.31Å; F126-Y165 WeakPolarHBondContact O-CB 3.22Å; F126-S166 PolarHBondContact O-N 3.24Å
127I92.6Very high86.2Confident23 Ų2353 Ų5312%0.11828%0.275CS..EExtended strand (participates in β ladder)trans-102.3117.2178.8-57.4175.5000108.5L60 V61 L62 R77 K129 S166 E168L60-I127 PolarHBondContact O-N 3.15Å; V61-I127 CarbonylContact C-O 3.57Å; V61-I127 WeakPolarHBondContact CA-O 3.31Å; V61-I127 HydrophobicContact CG1-CB 4.45Å; V61-I127 HydrophobicContact CG2-CB 4.3Å; V61-I127 HydrophobicContact CG2-CD1 4.45Å; L62-I127 PolarHBondContact N-O 3.44Å; R77-I127 VanDerWaalsContact CZ-CD1 3.46Å; I127-K129 HydrophobicContact CG2-CG 4.27Å; I127-S166 CarbonylContact C-O 3.29Å; I127-E168 HydrophobicContact CG2-CB 4.12Å; I127-E168 HydrophobicContact CG2-CG 3.68Å; I127-E168 WeakPolarHBondContact CG2-OE1 3.41Å; I127-E168 WeakPolarHBondContact CG2-OE2 3.39Å
128L91.7Very high85.9Confident1 Ų153.4 Ų53.41%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-89.9114.6174.418066.1000110L62 I110 F126 Y165 S166 V167 E168L62-L128 HydrophobicContact CB-CD1 4.26Å; L62-L128 HydrophobicContact CD2-CD1 3.87Å; L62-L128 HydrophobicContact CG-CD1 4.01Å; L62-L128 WeakPolarHBondContact O-CA 3.44Å; I110-L128 HydrophobicContact CB-CD2 4.48Å; I110-L128 HydrophobicContact CD1-CD2 3.96Å; I110-L128 HydrophobicContact CG1-CD1 4.25Å; I110-L128 HydrophobicContact CG1-CD2 4.08Å; I110-L128 HydrophobicContact CG2-CD1 4.08Å; I110-L128 HydrophobicContact CG2-CD2 3.57Å; I110-L128 HydrophobicContact CG2-CG 4.48Å; F126-L128 HydrophobicContact CE2-CB 4.24Å; L128-Y165 HydrophobicContact CB-CD2 4.36Å; L128-S166 PolarHBondContact N-O 2.62Å; L128-V167 HydrophobicContact CD2-CG2 4.3Å; L128-V167 CarbonylContact O-C 3.49Å; L128-V167 WeakPolarHBondContact O-CA 3.36Å; L128-E168 PolarHBondContact O-N 2.92Å
129K90.1Very high85.6Confident18 Ų1852.3 Ų52.38%0.07827%0.267CS..EExtended strand (participates in β ladder)trans-101.3124.4175-73.4178.8172.9-179.90110.9V61 L62 Y63 S64 E83 I127 E168 V170V61-K129 HydrophobicContact CG1-CD 3.58Å; V61-K129 HydrophobicContact CG1-CG 4.06Å; L62-K129 PolarHBondContact O-N 3Å; Y63-K129 HydrophobicContact CD1-CB 3.81Å; Y63-K129 HydrophobicContact CD1-CD 4.19Å; Y63-K129 HydrophobicContact CD2-CD 4.5Å; Y63-K129 HydrophobicContact CE1-CB 3.89Å; Y63-K129 HydrophobicContact CE1-CD 3.5Å; Y63-K129 VanDerWaalsContact CE1-CD 3.5Å; Y63-K129 HydrophobicContact CE1-CG 4.36Å; Y63-K129 HydrophobicContact CE2-CD 3.82Å; Y63-K129 HydrophobicContact CG-CB 4.31Å; Y63-K129 WeakPolarHBondContact OH-CD 3.41Å; Y63-K129 PolarHBondContact OH-NZ 3.37Å; S64-K129 PolarHBondContact N-O 2.83Å; S64-K129 PolarHBondContact OG-O 2.82Å; E83-K129 IonicContact OE1-NZ 3.88Å; E83-K129 PolarHBondContact OE1-NZ 2.76Å; E83-K129 IonicContact OE2-NZ 3.26Å; E83-K129 PolarHBondContact OE2-NZ 2.86Å; I127-K129 HydrophobicContact CG2-CG 4.27Å; K129-E168 WeakPolarHBondContact CA-O 3.27Å; K129-E168 WeakPolarHBondContact CE-OE2 3.11Å; K129-E168 HydrophobicContact CG-CB 4.1Å; K129-V170 HydrophobicContact CB-CG2 3.92Å; K129-V170 HydrophobicContact CD-CG2 3.82Å; K129-V170 HydrophobicContact CG-CG2 3.78Å
130T87.5Confident85Confident0 Ų045.4 Ų45.40%024%0.238CC..EExtended strand (participates in β ladder)trans-137151176.8176.80000109.7H132 L135 V167 E168 Y169 V170T130-H132 VanDerWaalsContact C-N 3.32Å; T130-H132 PolarHBondContact OG1-N 3.05Å; T130-L135 HydrophobicContact CG2-CB 4.43Å; T130-V167 HydrophobicContact CG2-CG1 4.02Å; T130-E168 PolarHBondContact N-O 2.98Å; T130-Y169 CarbonylContact O-C 3.52Å; T130-Y169 WeakPolarHBondContact O-CA 3.23Å; T130-V170 PolarHBondContact O-N 3.18Å
131D83.9Confident83.9Confident29 Ų2948.8 Ų48.816%0.15526%0.26CS..SBendtrans-94.313.717466.8-22.5000113.5Y169 V170 A172D131-Y169 VanDerWaalsContact O-CE2 3.25Å; D131-Y169 WeakPolarHBondContact O-CE2 3.4Å; D131-V170 WeakPolarHBondContact CA-O 3.31Å; D131-V170 WeakPolarHBondContact CB-O 3.22Å; D131-A172 HydrophobicContact CB-CB 4.3Å
132H82.9Confident82.4Confident39 Ų3955.3 Ų55.318%0.18130%0.295CS..  trans-113.599.3179.1-163.6-95.8000112.1E106 T130 P134 L135E106-H132 HydrophobicContact CB-CB 4.18Å; E106-H132 HydrophobicContact CG-CB 3.89Å; T130-H132 VanDerWaalsContact C-N 3.32Å; T130-H132 PolarHBondContact OG1-N 3.05Å; H132-P134 VanDerWaalsContact C-CD 3.5Å; H132-P134 VanDerWaalsContact CE1-CD 3.46Å; H132-P134 WeakPolarHBondContact CE1-CD 3.49Å; H132-P134 WeakPolarHBondContact CE1-CG 3.17Å; H132-P134 WeakPolarHBondContact ND1-CD 3.41Å; H132-L135 HydrophobicContact CB-CD1 3.98Å; H132-L135 HydrophobicContact CB-CG 4.35Å; H132-L135 PolarHBondContact O-N 2.85Å
133K81.8Confident81.1Confident123 Ų12353.9 Ų53.954%0.53529%0.289SS..Hα-helixtrans-50.9-42-178.3-64.2-174178.3-178.40114.6L135 E136 Y169K133-L135 PolarHBondContact O-N 2.75Å; K133-L135 VanDerWaalsContact O-N 3.13Å; K133-E136 VanDerWaalsContact O-CB 3.3Å; K133-E136 WeakPolarHBondContact O-CB 3.39Å; K133-E136 PolarHBondContact O-N 2.9Å; K133-E136 VanDerWaalsContact O-N 3.12Å; K133-Y169 HydrophobicContact CB-CD2 4.22Å; K133-Y169 HydrophobicContact CB-CE2 4.31Å; K133-Y169 HydrophobicContact CD-CE1 4.44Å; K133-Y169 HydrophobicContact CD-CE2 4.28Å; K133-Y169 VanDerWaalsContact CE-CE1 3.49Å; K133-Y169 VanDerWaalsContact CE-CZ 3.47Å; K133-Y169 HydrophobicContact CG-CD1 4.17Å; K133-Y169 HydrophobicContact CG-CD2 3.39Å; K133-Y169 HydrophobicContact CG-CE1 4.09Å; K133-Y169 HydrophobicContact CG-CE2 3.24Å; K133-Y169 HydrophobicContact CG-CG 3.84Å
134P80.7Confident79.6Confident51 Ų5158.4 Ų58.433%0.33129%0.29SS..Hα-helixtrans-58.3-27.2178.7-28.435000114.7I103 H132 Q137 I138I103-P134 HydrophobicContact CD1-CB 3.81Å; H132-P134 VanDerWaalsContact C-CD 3.5Å; H132-P134 VanDerWaalsContact CE1-CD 3.46Å; H132-P134 WeakPolarHBondContact CE1-CD 3.49Å; H132-P134 WeakPolarHBondContact CE1-CG 3.17Å; H132-P134 WeakPolarHBondContact ND1-CD 3.41Å; P134-Q137 PolarHBondContact O-N 2.94Å; P134-I138 WeakPolarHBondContact O-CD1 3.43Å; P134-I138 VanDerWaalsContact O-CG1 3.3Å; P134-I138 WeakPolarHBondContact O-CG1 3.48Å; P134-I138 PolarHBondContact O-N 3.33Å; P134-I138 VanDerWaalsContact O-N 3.09Å
135L80.8Confident78.2Confident0 Ų058.7 Ų58.70%029%0.294CS..Hα-helixtrans-77.2-27.3179.6-67173.4000112.8I103 E106 A107 I110 T130 H132 K133 Q137 I138 F139I103-L135 HydrophobicContact CG1-CD2 3.91Å; I103-L135 HydrophobicContact CG1-CG 4.46Å; E106-L135 HydrophobicContact CB-CD1 3.33Å; E106-L135 HydrophobicContact CG-CD1 4.48Å; A107-L135 HydrophobicContact CB-CD1 4.44Å; A107-L135 HydrophobicContact CB-CD2 3.88Å; I110-L135 HydrophobicContact CD1-CB 4.37Å; I110-L135 HydrophobicContact CD1-CD1 3.61Å; I110-L135 HydrophobicContact CD1-CG 4.48Å; T130-L135 HydrophobicContact CG2-CB 4.43Å; H132-L135 HydrophobicContact CB-CD1 3.98Å; H132-L135 HydrophobicContact CB-CG 4.35Å; H132-L135 PolarHBondContact O-N 2.85Å; K133-L135 PolarHBondContact O-N 2.75Å; K133-L135 VanDerWaalsContact O-N 3.13Å; L135-Q137 PolarHBondContact O-N 3.14Å; L135-I138 HydrophobicContact CD2-CD1 4.37Å; L135-I138 PolarHBondContact O-N 2.86Å; L135-F139 HydrophobicContact CB-CD2 4.21Å; L135-F139 HydrophobicContact CD2-CD2 4.1Å; L135-F139 HydrophobicContact CD2-CE2 3.71Å; L135-F139 HydrophobicContact CD2-CZ 4.45Å; L135-F139 WeakPolarHBondContact O-CB 3.28Å; L135-F139 PolarHBondContact O-N 2.91Å
136E81.8Confident76.6Confident78 Ų7858 Ų5836%0.36429%0.288SS..Hα-helixtrans-59.7-36.3169-173.2179.4-142.600111K133 G140 V167 Y169K133-E136 VanDerWaalsContact O-CB 3.3Å; K133-E136 WeakPolarHBondContact O-CB 3.39Å; K133-E136 PolarHBondContact O-N 2.9Å; K133-E136 VanDerWaalsContact O-N 3.12Å; E136-G140 WeakPolarHBondContact O-CA 3.24Å; E136-G140 PolarHBondContact O-N 3.37Å; E136-V167 HydrophobicContact CB-CG1 4.12Å; E136-V167 HydrophobicContact CG-CB 4.5Å; E136-V167 HydrophobicContact CG-CG1 4.3Å; E136-Y169 PolarHBondContact OE1-N 3.42Å; E136-Y169 WeakPolarHBondContact OE2-CB 3.43Å
137Q76.5Confident74.9Confident154 Ų15468.4 Ų68.472%0.7233%0.334SS*.Hα-helixtrans-76.5-40.6176.4-64.8-177.5-22.900112.6P134 L135P134-Q137 PolarHBondContact O-N 2.94Å; L135-Q137 PolarHBondContact O-N 3.14Å
138I77.3Confident73.4Confident16 Ų1675.3 Ų75.38%0.08237%0.37CS..Hα-helixtrans-75.2-40.1-175.5-66.5163.2000112.2I103 P134 L135 L145 P146 L153I103-I138 HydrophobicContact CD1-CD1 3.51Å; I103-I138 HydrophobicContact CG1-CD1 4.37Å; P134-I138 WeakPolarHBondContact O-CD1 3.43Å; P134-I138 VanDerWaalsContact O-CG1 3.3Å; P134-I138 WeakPolarHBondContact O-CG1 3.48Å; P134-I138 PolarHBondContact O-N 3.33Å; P134-I138 VanDerWaalsContact O-N 3.09Å; L135-I138 HydrophobicContact CD2-CD1 4.37Å; L135-I138 PolarHBondContact O-N 2.86Å; I138-L145 HydrophobicContact CG2-CD2 4.19Å; I138-P146 HydrophobicContact CG1-CG 4.39Å; I138-L153 HydrophobicContact CD1-CD1 4.32Å
139F79.6Confident71.9Confident5 Ų576.4 Ų76.42%0.02238%0.379CS..Hα-helixtrans-103.21.1-178.6-60.5-43.7000113.3A107 I110 L135 W156 A157 L160 Y165 V167A107-F139 HydrophobicContact CB-CE2 3.84Å; A107-F139 HydrophobicContact CB-CZ 3.95Å; I110-F139 HydrophobicContact CD1-CD2 4.08Å; I110-F139 HydrophobicContact CD1-CE2 4.03Å; L135-F139 HydrophobicContact CB-CD2 4.21Å; L135-F139 HydrophobicContact CD2-CD2 4.1Å; L135-F139 HydrophobicContact CD2-CE2 3.71Å; L135-F139 HydrophobicContact CD2-CZ 4.45Å; L135-F139 WeakPolarHBondContact O-CB 3.28Å; L135-F139 PolarHBondContact O-N 2.91Å; F139-W156 HydrophobicContact CZ-CB 4.37Å; F139-A157 HydrophobicContact CD1-CB 4.22Å; F139-A157 HydrophobicContact CE1-CB 3.98Å; F139-L160 HydrophobicContact CD1-CD1 3.7Å; F139-L160 HydrophobicContact CD2-CD1 4.01Å; F139-L160 HydrophobicContact CE1-CD1 3.69Å; F139-L160 HydrophobicContact CE2-CD1 3.97Å; F139-L160 HydrophobicContact CG-CD1 3.88Å; F139-L160 HydrophobicContact CZ-CD1 3.82Å; F139-Y165 HydrophobicContact CB-CE2 4.19Å; F139-Y165 WeakPolarHBondContact O-CE2 3.44Å; F139-Y165 PolarHBondContact O-OH 3.06Å; F139-V167 HydrophobicContact CB-CG2 4.14Å
140G73.1Confident71Confident11 Ų1179 Ų7911%0.11340%0.397CS..SBendtrans-69.2-177.8178.800000114E136 N142 R143E136-G140 WeakPolarHBondContact O-CA 3.24Å; E136-G140 PolarHBondContact O-N 3.37Å; G140-N142 PolarHBondContact O-N 3.35Å; G140-R143 WeakPolarHBondContact O-CG 3.4Å
141N62.6Low70.5Confident133 Ų13385 Ų8571%0.71143%0.428SS*.SBendtrans-62-29-177.2-70.4-9.2000113.1R143N141-R143 VanDerWaalsContact C-N 3.3Å; N141-R143 PolarHBondContact O-N 2.88Å; N141-R143 VanDerWaalsContact O-N 3.09Å
142N57.7Low70.5Confident136 Ų13686.9 Ų86.973%0.72743%0.434SS*.SBendtrans-85.177.7171.7-70.1-4.6000108.8G140 E144G140-N142 PolarHBondContact O-N 3.35Å; N142-E144 PolarHBondContact O-N 3.44Å
143R60.8Low70.5Confident113 Ų11385.3 Ų85.343%0.42643%0.427SS..  trans-66.728.6-178.7-59-179.7-178.7-176.7-1.1114G140 N141 L145 Y275G140-R143 WeakPolarHBondContact O-CG 3.4Å; N141-R143 VanDerWaalsContact C-N 3.3Å; N141-R143 PolarHBondContact O-N 2.88Å; N141-R143 VanDerWaalsContact O-N 3.09Å; R143-L145 VanDerWaalsContact C-N 3.25Å; R143-L145 PolarHBondContact O-N 3.46Å; R143-Y275 WeakPolarHBondContact CD-OH 3.15Å; R143-Y275 PolarHBondContact NH1-OH 3.3Å
144E55.5Low70.5Confident172 Ų17283.1 Ų83.180%0.80442%0.419SS*.  trans-75.286.1170.1-67.3-172.6-170.700107.7N142 P146N142-E144 PolarHBondContact O-N 3.44Å; E144-P146 WeakPolarHBondContact O-CD 3.38Å; E144-P146 VanDerWaalsContact O-N 3.15Å
145L60.1Low70.6Confident50 Ų5088.4 Ų88.426%0.26243%0.432SS..  trans-53.5122.6172.1-69.7168.2000108I138 R143 K147 M154 A157I138-L145 HydrophobicContact CG2-CD2 4.19Å; R143-L145 VanDerWaalsContact C-N 3.25Å; R143-L145 PolarHBondContact O-N 3.46Å; L145-K147 PolarHBondContact O-N 2.86Å; L145-M154 HydrophobicContact CD1-CG 4.08Å; L145-A157 HydrophobicContact CD1-CB 4.18Å; L145-A157 HydrophobicContact CD2-CB 3.6Å; L145-A157 HydrophobicContact CG-CB 4.43Å
146P59.2Low70.9Confident63 Ų6389.9 Ų89.941%0.40944%0.438SS..  trans-52.8135.3176.5-24.831.9000109.2I138 E144 L148 A149I138-P146 HydrophobicContact CG1-CG 4.39Å; E144-P146 WeakPolarHBondContact O-CD 3.38Å; E144-P146 VanDerWaalsContact O-N 3.15Å; P146-L148 PolarHBondContact O-N 3.37Å; P146-A149 HydrophobicContact CB-CB 4.47Å; P146-A149 VanDerWaalsContact O-CB 3.26Å; P146-A149 WeakPolarHBondContact O-CB 3.3Å; P146-A149 PolarHBondContact O-N 3.38Å
147K57.1Low71Confident221 Ų22187 Ų8796%0.96143%0.428SS*.THydrogen-bonded Turntrans-56.6-18.4176.8-67.1-177.1-179.6178.70112.9L145L145-K147 PolarHBondContact O-N 2.86Å
148L60Low71.3Confident169 Ų16982.6 Ų82.689%0.88541%0.409SS*.THydrogen-bonded Turntrans-97.16.8175.8-74.2110.5000114.4P146 T150P146-L148 PolarHBondContact O-N 3.37Å; L148-T150 PolarHBondContact O-N 3.27Å
149A61.3Low71.7Confident24 Ų2484.3 Ų84.320%0.19842%0.418CS..  trans-65.5130.1177.100000110.2P146 N151 L153P146-A149 HydrophobicContact CB-CB 4.47Å; P146-A149 VanDerWaalsContact O-CB 3.26Å; P146-A149 WeakPolarHBondContact O-CB 3.3Å; P146-A149 PolarHBondContact O-N 3.38Å; A149-N151 PolarHBondContact O-N 2.84Å; A149-L153 HydrophobicContact CB-CB 4.46Å
150T70.7Confident72.1Confident72 Ų7284.1 Ų84.144%0.44242%0.417SS..  trans-52.1141.6175.4-48.60000110L148 R152 L153 M154L148-T150 PolarHBondContact O-N 3.27Å; T150-R152 HydrophobicContact CG2-CB 4.23Å; T150-R152 PolarHBondContact O-N 2.9Å; T150-L153 PolarHBondContact O-N 3.47Å; T150-M154 PolarHBondContact O-N 3.09Å
151N77.7Confident72.7Confident125 Ų12585 Ų8567%0.66843%0.425SS*.Hα-helixtrans-45.8-29.1175.8-79.2-43.8000113.6A149 R155A149-N151 PolarHBondContact O-N 2.84Å; N151-R155 VanDerWaalsContact O-CG 3.26Å; N151-R155 WeakPolarHBondContact O-CG 3.34Å; N151-R155 PolarHBondContact O-N 3.2Å
152R83.3Confident73.8Confident70 Ų7083.5 Ų83.526%0.26442%0.417SS..Hα-helixtrans-67.4-51175.9-169.1-179.5-63.7144.5-9.7113.2Y100 D104 T150 M154 R155 W156Y100-R152 VanDerWaalsContact CZ-CZ 3.46Å; Y100-R152 VanDerWaalsContact CZ-NH2 3.27Å; D104-R152 IonicContact OD2-CZ 3.63Å; D104-R152 IonicContact OD2-NH1 2.85Å; D104-R152 PolarHBondContact OD2-NH1 3.15Å; T150-R152 HydrophobicContact CG2-CB 4.23Å; T150-R152 PolarHBondContact O-N 2.9Å; R152-M154 VanDerWaalsContact C-N 3.28Å; R152-M154 PolarHBondContact O-N 3.16Å; R152-R155 WeakPolarHBondContact O-CB 3.3Å; R152-R155 PolarHBondContact O-N 3.38Å; R152-R155 VanDerWaalsContact O-N 3.15Å; R152-W156 VanDerWaalsContact CD-CZ2 3.43Å; R152-W156 HydrophobicContact CG-CD2 3.99Å; R152-W156 HydrophobicContact CG-CE3 4.06Å; R152-W156 HydrophobicContact CG-CH2 3.57Å; R152-W156 HydrophobicContact CG-CZ2 3.47Å; R152-W156 VanDerWaalsContact CG-CZ2 3.47Å; R152-W156 HydrophobicContact CG-CZ3 3.83Å; R152-W156 PolarHBondContact O-N 2.99Å
153L82.9Confident75.3Confident6 Ų678.4 Ų78.43%0.03139%0.388CS..Hα-helixtrans-61-39.7178.5-67.6172.9000111.1A107 I138 A149 T150 R155 W156 A157A107-L153 HydrophobicContact CB-CD2 3.62Å; I138-L153 HydrophobicContact CD1-CD1 4.32Å; A149-L153 HydrophobicContact CB-CB 4.46Å; T150-L153 PolarHBondContact O-N 3.47Å; L153-R155 VanDerWaalsContact C-N 3.34Å; L153-R155 PolarHBondContact O-N 3.33Å; L153-W156 HydrophobicContact CD2-CE3 3.93Å; L153-W156 HydrophobicContact CD2-CZ3 4.12Å; L153-W156 PolarHBondContact O-N 2.79Å; L153-A157 WeakPolarHBondContact O-CB 3.42Å; L153-A157 PolarHBondContact O-N 2.87Å
154M81Confident76.6Confident77 Ų7778.6 Ų78.638%0.37939%0.394SS..Hα-helixtrans-61.2-41.2175.8-177.2176.4-176.500112.3L145 T150 R152 L158L145-M154 HydrophobicContact CD1-CG 4.08Å; T150-M154 PolarHBondContact O-N 3.09Å; R152-M154 VanDerWaalsContact C-N 3.28Å; R152-M154 PolarHBondContact O-N 3.16Å; M154-L158 PolarHBondContact O-N 2.94Å
155R83.4Confident78.3Confident161 Ų16171.6 Ų71.661%0.60836%0.36SS*.Hα-helixtrans-66.1-40.4175.5-72.4170.5-177.2-170.80.8111.9N151 R152 L153 L158 I159N151-R155 VanDerWaalsContact O-CG 3.26Å; N151-R155 WeakPolarHBondContact O-CG 3.34Å; N151-R155 PolarHBondContact O-N 3.2Å; R152-R155 WeakPolarHBondContact O-CB 3.3Å; R152-R155 PolarHBondContact O-N 3.38Å; R152-R155 VanDerWaalsContact O-N 3.15Å; L153-R155 VanDerWaalsContact C-N 3.34Å; L153-R155 PolarHBondContact O-N 3.33Å; R155-L158 WeakPolarHBondContact O-CB 3.1Å; R155-L158 PolarHBondContact O-N 3.28Å; R155-I159 WeakPolarHBondContact O-CG1 3.28Å; R155-I159 PolarHBondContact O-N 3.3Å
156W86.3Confident79.8Confident31 Ų3171.1 Ų71.112%0.11736%0.361CS..Hα-helixtrans-68.8-39.8177.3-66.4-23.4000112.6D104 A107 L108 M111 F139 R152 L153 L158 I159 L160D104-W156 VanDerWaalsContact O-CH2 3.27Å; D104-W156 WeakPolarHBondContact O-CH2 3.44Å; D104-W156 VanDerWaalsContact O-CZ3 3.26Å; D104-W156 WeakPolarHBondContact O-CZ3 3.49Å; A107-W156 HydrophobicContact CB-CE3 3.45Å; A107-W156 VanDerWaalsContact CB-CE3 3.45Å; A107-W156 HydrophobicContact CB-CZ3 3.45Å; A107-W156 VanDerWaalsContact CB-CZ3 3.45Å; L108-W156 HydrophobicContact CB-CH2 3.7Å; L108-W156 HydrophobicContact CB-CZ2 4.13Å; L108-W156 HydrophobicContact CB-CZ3 4.44Å; L108-W156 HydrophobicContact CD1-CH2 4.05Å; L108-W156 HydrophobicContact CD1-CZ2 3.62Å; L108-W156 HydrophobicContact CG-CH2 4.48Å; L108-W156 HydrophobicContact CG-CZ2 4.5Å; M111-W156 HydrophobicContact CG-CB 3.81Å; M111-W156 HydrophobicContact CG-CD2 3.81Å; M111-W156 HydrophobicContact CG-CE3 4.5Å; M111-W156 HydrophobicContact CG-CG 3.49Å; M111-W156 VanDerWaalsContact CG-CG 3.49Å; M111-W156 HydrophobicContact SD-CB 3.72Å; M111-W156 HydrophobicContact SD-CG 3.97Å; F139-W156 HydrophobicContact CZ-CB 4.37Å; R152-W156 VanDerWaalsContact CD-CZ2 3.43Å; R152-W156 HydrophobicContact CG-CD2 3.99Å; R152-W156 HydrophobicContact CG-CE3 4.06Å; R152-W156 HydrophobicContact CG-CH2 3.57Å; R152-W156 HydrophobicContact CG-CZ2 3.47Å; R152-W156 VanDerWaalsContact CG-CZ2 3.47Å; R152-W156 HydrophobicContact CG-CZ3 3.83Å; R152-W156 PolarHBondContact O-N 2.99Å; L153-W156 HydrophobicContact CD2-CE3 3.93Å; L153-W156 HydrophobicContact CD2-CZ3 4.12Å; L153-W156 PolarHBondContact O-N 2.79Å; W156-L158 PolarHBondContact O-N 3.39Å; W156-I159 PolarHBondContact O-N 2.96Å; W156-I159 VanDerWaalsContact O-N 3.12Å; W156-L160 WeakPolarHBondContact O-CB 3.17Å; W156-L160 WeakPolarHBondContact O-CG 3.49Å; W156-L160 PolarHBondContact O-N 3.13Å
157A84Confident81.2Confident18 Ų1869 Ų6915%0.14935%0.347CS..Hα-helixtrans-58.7-35.7173.400000112.3F139 L145 L153 G161F139-A157 HydrophobicContact CD1-CB 4.22Å; F139-A157 HydrophobicContact CE1-CB 3.98Å; L145-A157 HydrophobicContact CD1-CB 4.18Å; L145-A157 HydrophobicContact CD2-CB 3.6Å; L145-A157 HydrophobicContact CG-CB 4.43Å; L153-A157 WeakPolarHBondContact O-CB 3.42Å; L153-A157 PolarHBondContact O-N 2.87Å; A157-G161 PolarHBondContact O-N 2.88Å
158L84.1Confident82.7Confident61 Ų6161.6 Ų61.632%0.31932%0.316SS..Hα-helixtrans-63.8-46.1173.9-82.3170.5000112.9M154 R155 W156 G161 R274M154-L158 PolarHBondContact O-N 2.94Å; R155-L158 WeakPolarHBondContact O-CB 3.1Å; R155-L158 PolarHBondContact O-N 3.28Å; W156-L158 PolarHBondContact O-N 3.39Å; L158-G161 PolarHBondContact O-N 3.25Å; L158-R274 HydrophobicContact CD2-CG 3.74Å
159I85.4Confident84Confident53 Ų5357.3 Ų57.327%0.27229%0.289SS..Hα-helixtrans-66.8-44179.7-60.9165000110.1M111 R155 W156 G161 N162 Y163 L203M111-I159 HydrophobicContact CE-CB 3.81Å; M111-I159 HydrophobicContact CE-CD1 3.97Å; M111-I159 HydrophobicContact CE-CG2 3.58Å; R155-I159 WeakPolarHBondContact O-CG1 3.28Å; R155-I159 PolarHBondContact O-N 3.3Å; W156-I159 PolarHBondContact O-N 2.96Å; W156-I159 VanDerWaalsContact O-N 3.12Å; I159-G161 PolarHBondContact O-N 3.32Å; I159-N162 WeakPolarHBondContact O-CB 3.36Å; I159-N162 PolarHBondContact O-N 3.44Å; I159-Y163 WeakPolarHBondContact O-CD2 3.41Å; I159-L203 HydrophobicContact CG1-CD1 4.1Å
160L86.9Confident85.1Confident1 Ų156.9 Ų56.91%0.00528%0.284CS..Hα-helixtrans-62.2-29.7174.4-68.3174.3000111.7I110 M111 V114 F139 W156 N162 Y163 Y165I110-L160 HydrophobicContact CG2-CD1 4.15Å; I110-L160 HydrophobicContact CG2-CD2 4.22Å; M111-L160 HydrophobicContact SD-CD1 4.08Å; M111-L160 HydrophobicContact SD-CD2 3.88Å; M111-L160 HydrophobicContact SD-CG 3.67Å; V114-L160 HydrophobicContact CB-CD2 4.21Å; V114-L160 HydrophobicContact CG1-CD2 4.15Å; V114-L160 HydrophobicContact CG2-CD2 3.8Å; F139-L160 HydrophobicContact CD1-CD1 3.7Å; F139-L160 HydrophobicContact CD2-CD1 4.01Å; F139-L160 HydrophobicContact CE1-CD1 3.69Å; F139-L160 HydrophobicContact CE2-CD1 3.97Å; F139-L160 HydrophobicContact CG-CD1 3.88Å; F139-L160 HydrophobicContact CZ-CD1 3.82Å; W156-L160 WeakPolarHBondContact O-CB 3.17Å; W156-L160 WeakPolarHBondContact O-CG 3.49Å; W156-L160 PolarHBondContact O-N 3.13Å; L160-N162 PolarHBondContact O-N 3.22Å; L160-Y163 WeakPolarHBondContact O-CB 3.45Å; L160-Y163 PolarHBondContact O-N 2.79Å; L160-Y165 HydrophobicContact CB-CE1 3.89Å; L160-Y165 WeakPolarHBondContact CB-OH 3.47Å; L160-Y165 WeakPolarHBondContact O-CE1 3.34Å
161G85.8Confident85.6Confident28 Ų2855.5 Ų55.529%0.28928%0.276SS..THydrogen-bonded Turntrans-58.5-18175.400000115A157 L158 I159 Y163A157-G161 PolarHBondContact O-N 2.88Å; L158-G161 PolarHBondContact O-N 3.25Å; I159-G161 PolarHBondContact O-N 3.32Å; G161-Y163 VanDerWaalsContact C-N 3.26Å
162N86.4Confident85.3Confident103 Ų10351.6 Ų51.655%0.55126%0.261SS*.THydrogen-bonded Turntrans-78.1-8.5173.2-64.9-21.4000113.6I159 L160I159-N162 WeakPolarHBondContact O-CB 3.36Å; I159-N162 PolarHBondContact O-N 3.44Å; L160-N162 PolarHBondContact O-N 3.22Å
163Y88.7Confident84.7Confident29 Ų2953.4 Ų53.411%0.11428%0.283CS..SBendtrans-112.6151.1-178-62.2-89.9000111.2V114 L121 Y122 F126 I159 L160 G161V114-Y163 HydrophobicContact CG1-CD1 4.29Å; V114-Y163 HydrophobicContact CG1-CD2 3.84Å; V114-Y163 HydrophobicContact CG1-CE1 3.98Å; V114-Y163 HydrophobicContact CG1-CE2 3.5Å; V114-Y163 VanDerWaalsContact CG1-CE2 3.5Å; V114-Y163 HydrophobicContact CG1-CG 4.22Å; L121-Y163 HydrophobicContact CB-CD1 4.23Å; L121-Y163 HydrophobicContact CB-CE1 4.24Å; Y122-Y163 HydrophobicContact CD2-CE1 4.11Å; F126-Y163 HydrophobicContact CE1-CD1 4.17Å; F126-Y163 HydrophobicContact CE1-CG 4.31Å; I159-Y163 WeakPolarHBondContact O-CD2 3.41Å; L160-Y163 WeakPolarHBondContact O-CB 3.45Å; L160-Y163 PolarHBondContact O-N 2.79Å; G161-Y163 VanDerWaalsContact C-N 3.26Å
164E89.6Confident84.2Confident116 Ų11662 Ų6254%0.54232%0.315SS..EExtended strand (participates in β ladder)trans-96.8114.9170.5-65.1-175.9178.600108.4C125 F126C125-E164 VanDerWaalsContact CA-O 3.31Å; C125-E164 WeakPolarHBondContact CA-O 3.39Å; C125-E164 HydrophobicContact CB-CB 4.45Å; F126-E164 WeakPolarHBondContact CD1-O 3.11Å; F126-E164 PolarHBondContact N-O 3.35Å
165Y91Very high83.7Confident25 Ų2558.4 Ų58.410%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-150.6158.1-179.764.3-82.2000112.6F126 L128 F139 L160 V167F126-Y165 HydrophobicContact CE2-CG 4.25Å; F126-Y165 HydrophobicContact CZ-CD1 4.26Å; F126-Y165 HydrophobicContact CZ-CG 4.08Å; F126-Y165 CarbonylContact O-C 3.47Å; F126-Y165 WeakPolarHBondContact O-CA 3.44Å; F126-Y165 VanDerWaalsContact O-CB 3.31Å; F126-Y165 WeakPolarHBondContact O-CB 3.22Å; L128-Y165 HydrophobicContact CB-CD2 4.36Å; F139-Y165 HydrophobicContact CB-CE2 4.19Å; F139-Y165 WeakPolarHBondContact O-CE2 3.44Å; F139-Y165 PolarHBondContact O-OH 3.06Å; L160-Y165 HydrophobicContact CB-CE1 3.89Å; L160-Y165 WeakPolarHBondContact CB-OH 3.47Å; L160-Y165 WeakPolarHBondContact O-CE1 3.34Å; Y165-V167 HydrophobicContact CD2-CG2 3.81Å; Y165-V167 HydrophobicContact CE2-CG2 3.58Å
166S90.2Very high83Confident41 Ų4152.5 Ų52.529%0.28728%0.283SS..EExtended strand (participates in β ladder)trans-112.9142.4164.760.60000109.8F126 I127 L128F126-S166 PolarHBondContact O-N 3.24Å; I127-S166 CarbonylContact C-O 3.29Å; L128-S166 PolarHBondContact N-O 2.62Å
167V88.6Confident82.1Confident19 Ų1951.1 Ų51.112%0.11528%0.278CS..EExtended strand (participates in β ladder)trans-97.4129175.3-1700000109L128 T130 E136 F139 Y165L128-V167 HydrophobicContact CD2-CG2 4.3Å; L128-V167 CarbonylContact O-C 3.49Å; L128-V167 WeakPolarHBondContact O-CA 3.36Å; T130-V167 HydrophobicContact CG2-CG1 4.02Å; E136-V167 HydrophobicContact CB-CG1 4.12Å; E136-V167 HydrophobicContact CG-CB 4.5Å; E136-V167 HydrophobicContact CG-CG1 4.3Å; F139-V167 HydrophobicContact CB-CG2 4.14Å; Y165-V167 HydrophobicContact CD2-CG2 3.81Å; Y165-V167 HydrophobicContact CE2-CG2 3.58Å
168E89Confident81.1Confident65 Ų6550.2 Ų50.230%0.30427%0.271SS..EExtended strand (participates in β ladder)trans-119.1118.7173.6-75.8179.7-172.600108.9R77 I127 L128 K129 T130 V170R77-E168 IonicContact NH1-OE1 3.24Å; R77-E168 IonicContact NH2-OE1 3.89Å; R77-E168 IonicContact NH2-OE2 3.13Å; R77-E168 PolarHBondContact NH2-OE2 3.46Å; I127-E168 HydrophobicContact CG2-CB 4.12Å; I127-E168 HydrophobicContact CG2-CG 3.68Å; I127-E168 WeakPolarHBondContact CG2-OE1 3.41Å; I127-E168 WeakPolarHBondContact CG2-OE2 3.39Å; L128-E168 PolarHBondContact O-N 2.92Å; K129-E168 WeakPolarHBondContact CA-O 3.27Å; K129-E168 WeakPolarHBondContact CE-OE2 3.11Å; K129-E168 HydrophobicContact CG-CB 4.1Å; T130-E168 PolarHBondContact N-O 2.98Å; E168-V170 PolarHBondContact O-N 2.99Å
169Y87.3Confident80.3Confident79 Ų7949.1 Ų49.131%0.3127%0.265SS..EExtended strand (participates in β ladder)trans-69.6129.6169.3170.8-99.5000111.4T130 D131 K133 E136 P171T130-Y169 CarbonylContact O-C 3.52Å; T130-Y169 WeakPolarHBondContact O-CA 3.23Å; D131-Y169 VanDerWaalsContact O-CE2 3.25Å; D131-Y169 WeakPolarHBondContact O-CE2 3.4Å; K133-Y169 HydrophobicContact CB-CD2 4.22Å; K133-Y169 HydrophobicContact CB-CE2 4.31Å; K133-Y169 HydrophobicContact CD-CE1 4.44Å; K133-Y169 HydrophobicContact CD-CE2 4.28Å; K133-Y169 VanDerWaalsContact CE-CE1 3.49Å; K133-Y169 VanDerWaalsContact CE-CZ 3.47Å; K133-Y169 HydrophobicContact CG-CD1 4.17Å; K133-Y169 HydrophobicContact CG-CD2 3.39Å; K133-Y169 HydrophobicContact CG-CE1 4.09Å; K133-Y169 HydrophobicContact CG-CE2 3.24Å; K133-Y169 HydrophobicContact CG-CG 3.84Å; E136-Y169 PolarHBondContact OE1-N 3.42Å; E136-Y169 WeakPolarHBondContact OE2-CB 3.43Å; Y169-P171 HydrophobicContact CE1-CB 4.33Å
170V84.1Confident79.4Confident15 Ų1548.7 Ų48.79%0.09127%0.269CS..  trans-122.8121.9174.61800000109K129 T130 D131 E168 A172 R174 N175K129-V170 HydrophobicContact CB-CG2 3.92Å; K129-V170 HydrophobicContact CD-CG2 3.82Å; K129-V170 HydrophobicContact CG-CG2 3.78Å; T130-V170 PolarHBondContact O-N 3.18Å; D131-V170 WeakPolarHBondContact CA-O 3.31Å; D131-V170 WeakPolarHBondContact CB-O 3.22Å; E168-V170 PolarHBondContact O-N 2.99Å; V170-A172 PolarHBondContact O-N 2.93Å; V170-R174 HydrophobicContact CG1-CB 3.62Å; V170-N175 HydrophobicContact CG1-CB 4.33Å
171P81.1Confident78.3Confident42 Ų4251.2 Ų51.227%0.27328%0.282SS..  trans-59.1142.6177.826.3-34.4000110.6Y169 C173 R174 N175Y169-P171 HydrophobicContact CE1-CB 4.33Å; P171-C173 PolarHBondContact O-N 3.4Å; P171-R174 HydrophobicContact CG-CB 4.24Å; P171-R174 HydrophobicContact CG-CG 4.11Å; P171-R174 WeakPolarHBondContact O-CA 3.32Å; P171-R174 PolarHBondContact O-N 3.45Å; P171-N175 PolarHBondContact O-N 2.86Å
172A73.2Confident77.2Confident43 Ų4349.9 Ų49.936%0.35527%0.269SS..THydrogen-bonded Turntrans-50.1-32.4-175.700000114D131 V170 R174 N175D131-A172 HydrophobicContact CB-CB 4.3Å; V170-A172 PolarHBondContact O-N 2.93Å; A172-R174 VanDerWaalsContact C-N 3.27Å; A172-R174 PolarHBondContact O-N 2.87Å; A172-N175 PolarHBondContact O-N 3.36Å
173C70Confident76.2Confident108 Ų10852.5 Ų52.573%0.7327%0.271SS*.THydrogen-bonded Turntrans-63.7-2817662.60000114.1P171P171-C173 PolarHBondContact O-N 3.4Å
174R71.4Confident75Confident188 Ų18855.8 Ų55.871%0.70929%0.29SS*.THydrogen-bonded Turntrans-94.6-17.4176.3-68-175.7-179.9-177.4-0112.5V170 P171 A172 A176V170-R174 HydrophobicContact CG1-CB 3.62Å; P171-R174 HydrophobicContact CG-CB 4.24Å; P171-R174 HydrophobicContact CG-CG 4.11Å; P171-R174 WeakPolarHBondContact O-CA 3.32Å; P171-R174 PolarHBondContact O-N 3.45Å; A172-R174 VanDerWaalsContact C-N 3.27Å; A172-R174 PolarHBondContact O-N 2.87Å; R174-A176 PolarHBondContact O-N 2.94Å
175N70.9Confident73.1Confident0 Ų055.9 Ų55.90%030%0.301CS..  trans-8038.4174.4-160.38.6000112.5Y63 S64 V170 P171 A172 L177 A178 N179Y63-N175 VanDerWaalsContact CD1-OD1 3.26Å; Y63-N175 WeakPolarHBondContact CD1-OD1 3.36Å; S64-N175 PolarHBondContact O-ND2 2.67Å; V170-N175 HydrophobicContact CG1-CB 4.33Å; P171-N175 PolarHBondContact O-N 2.86Å; A172-N175 PolarHBondContact O-N 3.36Å; N175-L177 PolarHBondContact O-N 2.67Å; N175-A178 PolarHBondContact O-N 3.28Å; N175-A178 VanDerWaalsContact OD1-CB 3.26Å; N175-A178 WeakPolarHBondContact OD1-CB 3.46Å; N175-N179 WeakPolarHBondContact O-CB 3.11Å; N175-N179 PolarHBondContact O-N 3.16Å
176A68.7Low71.5Confident38 Ų3859.2 Ų59.231%0.31432%0.319SS..Hα-helixtrans-63.7-24.7-173.300000113.4Y3 R174 A180Y3-A176 HydrophobicContact CD2-CB 4.44Å; R174-A176 PolarHBondContact O-N 2.94Å; A176-A180 WeakPolarHBondContact O-CB 3.26Å; A176-A180 PolarHBondContact O-N 2.88Å
177L66.8Low69.9Low1 Ų166.2 Ų66.21%0.00534%0.344CS..Hα-helixtrans-60.3-58.6172.8-85.3178.9000111.1Y3 Y4 Y63 F88 N175Y3-L177 HydrophobicContact CD1-CD1 4.03Å; Y3-L177 HydrophobicContact CD1-CD2 3.11Å; Y3-L177 HydrophobicContact CD1-CG 3.34Å; Y3-L177 HydrophobicContact CD2-CD2 4.45Å; Y3-L177 HydrophobicContact CD2-CG 3.84Å; Y3-L177 HydrophobicContact CE1-CD1 3.35Å; Y3-L177 HydrophobicContact CE1-CD2 3.29Å; Y3-L177 HydrophobicContact CE1-CG 3.22Å; Y3-L177 HydrophobicContact CE2-CD1 3.94Å; Y3-L177 HydrophobicContact CE2-CG 3.71Å; Y3-L177 HydrophobicContact CG-CD2 3.76Å; Y3-L177 HydrophobicContact CG-CG 3.66Å; Y3-L177 VanDerWaalsContact CZ-CG 3.41Å; Y3-L177 WeakPolarHBondContact OH-CD1 3.25Å; Y4-L177 HydrophobicContact CE1-CD2 3.89Å; Y4-L177 HydrophobicContact CE2-CD2 3.96Å; Y4-L177 VanDerWaalsContact CZ-CD2 3.48Å; Y4-L177 WeakPolarHBondContact OH-CD2 3.08Å; Y63-L177 HydrophobicContact CD2-CD1 4.15Å; Y63-L177 HydrophobicContact CE2-CD1 4.17Å; F88-L177 HydrophobicContact CE1-CD2 4.24Å; N175-L177 PolarHBondContact O-N 2.67Å
178A63.9Low68.1Low0 Ų073.1 Ų73.10%038%0.375CS..Hα-helixtrans-74.8-41-170.300000110.7D65 L71 N175 A180 L181 S182D65-A178 HydrophobicContact CB-CB 3.37Å; L71-A178 VanDerWaalsContact CD2-CA 3.5Å; L71-A178 HydrophobicContact CD2-CB 3.7Å; N175-A178 PolarHBondContact O-N 3.28Å; N175-A178 VanDerWaalsContact OD1-CB 3.26Å; N175-A178 WeakPolarHBondContact OD1-CB 3.46Å; A178-A180 VanDerWaalsContact C-N 3.35Å; A178-A180 PolarHBondContact O-N 3.29Å; A178-L181 PolarHBondContact O-N 3.35Å; A178-S182 VanDerWaalsContact O-CB 3.32Å; A178-S182 WeakPolarHBondContact O-CB 3.36Å; A178-S182 PolarHBondContact O-N 3.3Å; A178-S182 PolarHBondContact O-OG 2.86Å
179N68.4Low66.3Low38 Ų3875.4 Ų75.420%0.20339%0.394CS..Hα-helixtrans-62.2-35.4178.2-166.443.5000113.9D65 N175 S182 R183D65-N179 VanDerWaalsContact OD2-CA 3.23Å; D65-N179 WeakPolarHBondContact OD2-CA 3.38Å; D65-N179 PolarHBondContact OD2-N 3.14Å; N175-N179 WeakPolarHBondContact O-CB 3.11Å; N175-N179 PolarHBondContact O-N 3.16Å; N179-S182 PolarHBondContact O-OG 3.09Å; N179-R183 VanDerWaalsContact O-CG 3.27Å; N179-R183 WeakPolarHBondContact O-CG 3.4Å; N179-R183 PolarHBondContact OD1-NE 3.26Å; N179-R183 PolarHBondContact OD1-NH2 2.92Å
180A65.2Low64.5Low44 Ų4479.3 Ų79.336%0.36442%0.42SS..Hα-helixtrans-70.4-42.817900000111.4A176 A178 L184A176-A180 WeakPolarHBondContact O-CB 3.26Å; A176-A180 PolarHBondContact O-N 2.88Å; A178-A180 VanDerWaalsContact C-N 3.35Å; A178-A180 PolarHBondContact O-N 3.29Å; A180-L184 WeakPolarHBondContact O-CG 3.4Å
181L64.6Low62.8Low53 Ų5381.6 Ų81.628%0.27743%0.431SS..Hα-helixtrans-79.1-32-175.5-68.3172.8000112L71 F88 A178 R183 L184L71-L181 HydrophobicContact CD1-CB 3.04Å; L71-L181 HydrophobicContact CD1-CD1 4.03Å; L71-L181 HydrophobicContact CD1-CG 4.17Å; L71-L181 HydrophobicContact CD2-CB 4.43Å; L71-L181 HydrophobicContact CD2-CD1 4.42Å; L71-L181 HydrophobicContact CG-CB 4.31Å; F88-L181 HydrophobicContact CD1-CD1 3.61Å; F88-L181 HydrophobicContact CE1-CD1 4.11Å; F88-L181 HydrophobicContact CG-CD1 4.26Å; A178-L181 PolarHBondContact O-N 3.35Å; L181-R183 VanDerWaalsContact C-N 3.32Å; L181-R183 PolarHBondContact O-N 3.24Å; L181-L184 HydrophobicContact CD2-CD1 4.3Å
182S63.1Low60.9Low0 Ų083.9 Ų83.90%045%0.446CS..Hα-helixtrans-66.9-34.3178.7680000111.6D65 C67 R69 A178 N179D65-S182 WeakPolarHBondContact OD2-CB 3.26Å; D65-S182 PolarHBondContact OD2-OG 3.07Å; C67-S182 WeakPolarHBondContact SG-CB 3.3Å; C67-S182 PolarHBondContact SG-O 2.86Å; R69-S182 WeakPolarHBondContact CD-O 3.23Å; R69-S182 PolarHBondContact NH1-O 2.95Å; A178-S182 VanDerWaalsContact O-CB 3.32Å; A178-S182 WeakPolarHBondContact O-CB 3.36Å; A178-S182 PolarHBondContact O-N 3.3Å; A178-S182 PolarHBondContact O-OG 2.86Å; N179-S182 PolarHBondContact O-OG 3.09Å
183R63.8Low59.6Low158 Ų15887 Ų8760%0.59646%0.461SS*.THydrogen-bonded Turntrans-84.4-6-177-65.8-176.7-167-83.3-11.6116.5N179 L181 P185N179-R183 VanDerWaalsContact O-CG 3.27Å; N179-R183 WeakPolarHBondContact O-CG 3.4Å; N179-R183 PolarHBondContact OD1-NE 3.26Å; N179-R183 PolarHBondContact OD1-NH2 2.92Å; L181-R183 VanDerWaalsContact C-N 3.32Å; L181-R183 PolarHBondContact O-N 3.24Å; R183-P185 WeakPolarHBondContact O-CD 3.47Å
184L63.8Low58.6Low98 Ų9888.6 Ų88.651%0.51347%0.467SS..  trans-72.7115.8-176.3-74.8170.7000112.4R69 A180 L181 I186R69-L184 VanDerWaalsContact NH1-C 3.32Å; R69-L184 PolarHBondContact NH1-O 3.17Å; R69-L184 PolarHBondContact NH2-O 3.31Å; A180-L184 WeakPolarHBondContact O-CG 3.4Å; L181-L184 HydrophobicContact CD2-CD1 4.3Å; L184-I186 PolarHBondContact O-N 3Å
185P50.2Low57.4Low119 Ų11984.2 Ų84.277%0.77345%0.454SS*.  trans-65.4108.1178.927-32.8000111R183R183-P185 WeakPolarHBondContact O-CD 3.47Å
186I58.4Low55.8Low95 Ų9591.7 Ų91.749%0.48748%0.482SS..  trans-97.7130.3170.2-58.5168.1000107.2R69 L184 E188R69-I186 VanDerWaalsContact NH2-N 3.17Å; L184-I186 PolarHBondContact O-N 3Å; I186-E188 PolarHBondContact O-N 3.23Å
187K55.1Low54.8Low187 Ų18794.7 Ų94.781%0.81349%0.49SS*.  trans-57.9129.8170.6-70.2-176.6177.2-1770107.9V189K187-V189 PolarHBondContact O-N 3.24Å
188E51.5Low53.4Low164 Ų16498.2 Ų98.277%0.76651%0.513SS*.  trans-57.5101177.9-63-177.6160.700108.6I186I186-E188 PolarHBondContact O-N 3.23Å
189V51.9Low52.2Low114 Ų114101.5 Ų101.569%0.69154%0.536SS*.  trans-97.3131.3167.3-178.60000105.2K187 I191K187-V189 PolarHBondContact O-N 3.24Å; V189-I191 PolarHBondContact O-N 3.33Å
190D48.2Very low50.9Low161 Ų161102.8 Ų102.886%0.86156%0.558SS**  trans-48.4109179-71.5-47.5000110.4P192D190-P192 WeakPolarHBondContact O-CD 3.37Å
191I49.6Very low49.3Very low63 Ų63107.5 Ų107.532%0.32357%0.573SS.*  trans-66.7119.9-178.1-52.6163.2000106.9L92 V189 T193 E195L92-I191 HydrophobicContact CB-CD1 4.12Å; L92-I191 HydrophobicContact CD1-CD1 4.19Å; L92-I191 HydrophobicContact CD1-CG1 4.49Å; V189-I191 PolarHBondContact O-N 3.33Å; I191-T193 PolarHBondContact O-N 2.81Å; I191-E195 HydrophobicContact CG2-CB 3.85Å
192P41Very low48.1Very low89 Ų89111.1 Ų111.158%0.57859%0.592SS**  trans-58135.7175.720.8-28.9000109.5D190 V194 E195D190-P192 WeakPolarHBondContact O-CD 3.37Å; P192-V194 PolarHBondContact O-N 3Å; P192-E195 PolarHBondContact O-N 2.74Å
193T45.9Very low46.7Very low109 Ų109116.4 Ų116.467%0.66962%0.619SS**G310 helixtrans-50.8-18.8-170.1-41.50000114.6I191 E195 R196I191-T193 PolarHBondContact O-N 2.81Å; T193-E195 VanDerWaalsContact C-N 3.28Å; T193-E195 PolarHBondContact O-N 2.79Å; T193-R196 PolarHBondContact O-N 3.48Å
194V47.5Very low45.4Very low141 Ų141114.3 Ų114.386%0.85562%0.62SS**G310 helixtrans-64.7-24.8178.4-171.90000113.1P192P192-V194 PolarHBondContact O-N 3Å
195E46.2Very low44.4Very low97 Ų97113.5 Ų113.545%0.45362%0.615SS.*G310 helixtrans-94.6-1.5178.8-64.8-163.6146.400114.7I191 P192 T193 Q197I191-E195 HydrophobicContact CG2-CB 3.85Å; P192-E195 PolarHBondContact O-N 2.74Å; T193-E195 VanDerWaalsContact C-N 3.28Å; T193-E195 PolarHBondContact O-N 2.79Å; E195-Q197 VanDerWaalsContact C-N 3.32Å; E195-Q197 PolarHBondContact O-N 2.92Å
196R39.1Very low43.9Very low156 Ų156116 Ų11659%0.58961%0.61SS**  trans-76.187.9169.4-73.7-177.6-178.9156.52.2108.4T193 P198T193-R196 PolarHBondContact O-N 3.48Å; R196-P198 VanDerWaalsContact O-CD 3.28Å; R196-P198 WeakPolarHBondContact O-CD 3.34Å
197Q47.1Very low43.4Very low101 Ų101116.5 Ų116.547%0.47261%0.612SS.*  trans-58.4119.7157.9-74.5-171.7-21.600107.1S115 E195 S199S115-Q197 PolarHBondContact OG-NE2 2.99Å; E195-Q197 VanDerWaalsContact C-N 3.32Å; E195-Q197 PolarHBondContact O-N 2.92Å; Q197-S199 VanDerWaalsContact C-N 3.33Å; Q197-S199 PolarHBondContact O-N 3.27Å
198P36.3Very low43Very low76 Ų76115.4 Ų115.449%0.49462%0.615SS.*  trans-68.397.8179.624.2-27.3000107.6R196 G200 Q201R196-P198 VanDerWaalsContact O-CD 3.28Å; R196-P198 WeakPolarHBondContact O-CD 3.34Å; P198-G200 PolarHBondContact O-N 3Å; P198-Q201 HydrophobicContact CB-CB 4Å; P198-Q201 HydrophobicContact CB-CG 4.35Å; P198-Q201 HydrophobicContact CG-CB 4Å; P198-Q201 PolarHBondContact O-N 2.83Å; P198-Q201 VanDerWaalsContact O-N 3.15Å
199S39.6Very low43.1Very low69 Ų69113.2 Ų113.248%0.48361%0.605SS.*THydrogen-bonded Turntrans-63.677.117261.20000108.7Q197Q197-S199 VanDerWaalsContact C-N 3.33Å; Q197-S199 PolarHBondContact O-N 3.27Å
200G39.9Very low43.2Very low64 Ų64110.7 Ų110.766%0.6659%0.587SS**THydrogen-bonded Turntrans151.5-19.1-174.400000115.7P198P198-G200 PolarHBondContact O-N 3Å
201Q33.5Very low44Very low144 Ų144106.3 Ų106.367%0.67357%0.567SS**  trans-104.195.8176-71.7176.3-14.600109.8P198P198-Q201 HydrophobicContact CB-CB 4Å; P198-Q201 HydrophobicContact CB-CG 4.35Å; P198-Q201 HydrophobicContact CG-CB 4Å; P198-Q201 PolarHBondContact O-N 2.83Å; P198-Q201 VanDerWaalsContact O-N 3.15Å
202L37.8Very low44.6Very low129 Ų129104.1 Ų104.168%0.67556%0.556SS**  trans50.1129.2136.3-98128.7000118N204L202-N204 HydrophobicContact CB-CB 4.48Å; L202-N204 PolarHBondContact O-N 2.75Å
203L35.3Very low45.8Very low111 Ų111102.6 Ų102.658%0.58155%0.548SS*.  trans-5567.1132.7-104.3149.5000108.1I159 L205I159-L203 HydrophobicContact CG1-CD1 4.1Å; L203-L205 HydrophobicContact CD2-CD2 4.17Å; L203-L205 HydrophobicContact CD2-CG 3.92Å; L203-L205 PolarHBondContact O-N 2.7Å
204N35.8Very low46.7Very low113 Ų113101.6 Ų101.660%0.60453%0.534SS*.  trans-67.684.2137.2-76.8-17.7000101.1L202 R206L202-N204 HydrophobicContact CB-CB 4.48Å; L202-N204 PolarHBondContact O-N 2.75Å; N204-R206 PolarHBondContact O-N 2.95Å; N204-R206 VanDerWaalsContact O-N 3.12Å
205L43.4Very low47.6Very low81 Ų81104.5 Ų104.542%0.42453%0.53SS..  trans-33.1125.6135.9-77.8163.6000103.8L203 I207 L273L203-L205 HydrophobicContact CD2-CD2 4.17Å; L203-L205 HydrophobicContact CD2-CG 3.92Å; L203-L205 PolarHBondContact O-N 2.7Å; L205-I207 HydrophobicContact CB-CG1 3.88Å; L205-I207 WeakPolarHBondContact O-CG1 3.42Å; L205-I207 PolarHBondContact O-N 3.36Å; L205-L273 HydrophobicContact CD1-CD1 4Å
206R38Very low48.9Very low173 Ų173103.4 Ų103.465%0.65353%0.525SS*.  trans-63.576.9173-69.2-142.7-117.3-175.7-5.4106.6N204 N208 E209 L210N204-R206 PolarHBondContact O-N 2.95Å; N204-R206 VanDerWaalsContact O-N 3.12Å; R206-N208 PolarHBondContact O-N 3.36Å; R206-E209 HydrophobicContact CB-CB 3.91Å; R206-E209 HydrophobicContact CB-CG 4.19Å; R206-E209 VanDerWaalsContact CD-CD 3.45Å; R206-E209 VanDerWaalsContact CD-OE2 3.24Å; R206-E209 WeakPolarHBondContact CD-OE2 3.13Å; R206-E209 IonicContact CZ-OE1 2.69Å; R206-E209 IonicContact CZ-OE2 3.39Å; R206-E209 IonicContact NE-OE1 3.71Å; R206-E209 IonicContact NE-OE2 2.64Å; R206-E209 PolarHBondContact NE-OE2 2.84Å; R206-E209 VanDerWaalsContact NH1-CD 3.28Å; R206-E209 IonicContact NH1-OE1 2.86Å; R206-E209 PolarHBondContact NH1-OE1 2.84Å; R206-E209 IonicContact NH1-OE2 2.62Å; R206-E209 PolarHBondContact NH1-OE2 3.04Å; R206-E209 IonicContact NH2-OE2 2.92Å; R206-E209 CarbonylContact O-C 2.99Å; R206-E209 PolarHBondContact O-N 2.69Å; R206-L210 PolarHBondContact O-N 2.86Å
207I49.2Very low50.3Low104 Ų10499.5 Ų99.553%0.53352%0.515SS..G310 helixtrans-63.2-29179.1-67.7165.9000107L205 E209 L210L205-I207 HydrophobicContact CB-CG1 3.88Å; L205-I207 WeakPolarHBondContact O-CG1 3.42Å; L205-I207 PolarHBondContact O-N 3.36Å; I207-E209 VanDerWaalsContact C-N 3.25Å; I207-E209 PolarHBondContact O-N 2.94Å; I207-L210 HydrophobicContact CB-CD1 4.32Å; I207-L210 HydrophobicContact CG1-CD1 4.27Å; I207-L210 HydrophobicContact CG2-CD1 4.33Å; I207-L210 PolarHBondContact O-N 2.79Å
208N45.4Very low51.3Low165 Ų16598 Ų9888%0.88251%0.508SS*.G310 helixtrans-70.1-13.1172.5-63.3-1.6000114.3R206R206-N208 PolarHBondContact O-N 3.36Å
209E53.3Low53Low118 Ų11897.8 Ų97.855%0.55151%0.508SS*.G310 helixtrans-116.610.4176.6-65.5-176.3-178.600113R206 I207R206-E209 HydrophobicContact CB-CB 3.91Å; R206-E209 HydrophobicContact CB-CG 4.19Å; R206-E209 VanDerWaalsContact CD-CD 3.45Å; R206-E209 VanDerWaalsContact CD-OE2 3.24Å; R206-E209 WeakPolarHBondContact CD-OE2 3.13Å; R206-E209 IonicContact CZ-OE1 2.69Å; R206-E209 IonicContact CZ-OE2 3.39Å; R206-E209 IonicContact NE-OE1 3.71Å; R206-E209 IonicContact NE-OE2 2.64Å; R206-E209 PolarHBondContact NE-OE2 2.84Å; R206-E209 VanDerWaalsContact NH1-CD 3.28Å; R206-E209 IonicContact NH1-OE1 2.86Å; R206-E209 PolarHBondContact NH1-OE1 2.84Å; R206-E209 IonicContact NH1-OE2 2.62Å; R206-E209 PolarHBondContact NH1-OE2 3.04Å; R206-E209 IonicContact NH2-OE2 2.92Å; R206-E209 CarbonylContact O-C 2.99Å; R206-E209 PolarHBondContact O-N 2.69Å; I207-E209 VanDerWaalsContact C-N 3.25Å; I207-E209 PolarHBondContact O-N 2.94Å
210L55.9Low54.5Low61 Ų6197 Ų9732%0.31950%0.502SS..  trans-72.1128.9169.7-62.7169.8000107.8R206 I207 L212 Y283R206-L210 PolarHBondContact O-N 2.86Å; I207-L210 HydrophobicContact CB-CD1 4.32Å; I207-L210 HydrophobicContact CG1-CD1 4.27Å; I207-L210 HydrophobicContact CG2-CD1 4.33Å; I207-L210 PolarHBondContact O-N 2.79Å; L210-L212 PolarHBondContact O-N 3.18Å; L210-Y283 HydrophobicContact CD2-CE2 4.46Å; L210-Y283 WeakPolarHBondContact CD2-OH 3.15Å
211P63.5Low55.9Low68 Ų6895.5 Ų95.544%0.44248%0.478SS..SBendtrans-68.47.5175.729.6-35.3000112.9T287P211-T287 HydrophobicContact CG-CG2 4.37Å
212L63.2Low57.8Low17 Ų1793.9 Ų93.99%0.08948%0.478CS..  trans-113.8115-174.4-77.9160000109.7L210 Q216 L217 Y283 A286 T287 L290L210-L212 PolarHBondContact O-N 3.18Å; L212-Q216 HydrophobicContact CD2-CB 4.34Å; L212-L217 HydrophobicContact CB-CG 4.39Å; L212-L217 HydrophobicContact CD1-CD2 4.33Å; L212-Y283 HydrophobicContact CD1-CD2 4.13Å; L212-Y283 HydrophobicContact CD1-CE2 3.74Å; L212-A286 HydrophobicContact CD1-CB 4.3Å; L212-A286 HydrophobicContact CD2-CB 4.2Å; L212-T287 HydrophobicContact CD1-CG2 4.02Å; L212-L290 HydrophobicContact CD2-CD1 3.6Å; L212-L290 HydrophobicContact CG-CD1 4.04Å
213S66.4Low59.5Low57 Ų5795 Ų9540%0.39948%0.48SS..  trans-74149.9167.7680000110.6R215 Q216 L217S213-R215 PolarHBondContact O-N 2.9Å; S213-R215 VanDerWaalsContact O-N 3.14Å; S213-Q216 WeakPolarHBondContact O-CB 3.21Å; S213-Q216 PolarHBondContact O-N 3Å; S213-Q216 VanDerWaalsContact OG-CD 3.25Å; S213-Q216 VanDerWaalsContact OG-CG 3.3Å; S213-Q216 WeakPolarHBondContact OG-CG 3.27Å; S213-Q216 PolarHBondContact OG-N 2.83Å; S213-Q216 PolarHBondContact OG-OE1 2.9Å; S213-L217 PolarHBondContact O-N 2.75Å; S213-L217 VanDerWaalsContact O-N 3.16Å
214K64.8Low61.5Low89 Ų8992 Ų9239%0.38746%0.464SS..Hα-helixtrans-50.2-39.2175.8179.3179177.2179.40113.4L217 Q218 G265K214-L217 PolarHBondContact O-N 3.18Å; K214-Q218 WeakPolarHBondContact O-CG 3.08Å; K214-Q218 PolarHBondContact O-N 2.81Å; K214-G265 PolarHBondContact NZ-O 2.83Å
215R66.5Low63.5Low201 Ų20190.3 Ų90.376%0.75846%0.461SS*.Hα-helixtrans-65.5-39.5178.7-69.6-176178.4169.7-0.6112S213 Q218 C219S213-R215 PolarHBondContact O-N 2.9Å; S213-R215 VanDerWaalsContact O-N 3.14Å; R215-Q218 PolarHBondContact O-N 3.3Å; R215-C219 PolarHBondContact O-N 2.82Å; R215-C219 PolarHBondContact O-SG 2.75Å; R215-C219 VanDerWaalsContact O-SG 3.32Å
216Q72Confident65Low75 Ų7588.2 Ų88.235%0.3545%0.449SS..Hα-helixtrans-64.7-42.9176.3-73.8163.1-39.900111L212 S213 Q218 C219 C220L212-Q216 HydrophobicContact CD2-CB 4.34Å; S213-Q216 WeakPolarHBondContact O-CB 3.21Å; S213-Q216 PolarHBondContact O-N 3Å; S213-Q216 VanDerWaalsContact OG-CD 3.25Å; S213-Q216 VanDerWaalsContact OG-CG 3.3Å; S213-Q216 WeakPolarHBondContact OG-CG 3.27Å; S213-Q216 PolarHBondContact OG-N 2.83Å; S213-Q216 PolarHBondContact OG-OE1 2.9Å; Q216-Q218 PolarHBondContact O-N 3.37Å; Q216-C219 PolarHBondContact O-N 3.36Å; Q216-C220 PolarHBondContact O-N 3.42Å; Q216-C220 PolarHBondContact O-SG 2.93Å
217L68.7Low66.7Low73 Ų7380.7 Ų80.738%0.38242%0.422SS..Hα-helixtrans-60.4-44.5174.9-75.7171.7000112L212 S213 K214 C219 C220 L221L212-L217 HydrophobicContact CB-CG 4.39Å; L212-L217 HydrophobicContact CD1-CD2 4.33Å; S213-L217 PolarHBondContact O-N 2.75Å; S213-L217 VanDerWaalsContact O-N 3.16Å; K214-L217 PolarHBondContact O-N 3.18Å; L217-C219 PolarHBondContact O-N 3.47Å; L217-C220 PolarHBondContact O-N 3.47Å; L217-L221 WeakPolarHBondContact O-CB 2.95Å; L217-L221 VanDerWaalsContact O-CG 3.22Å; L217-L221 WeakPolarHBondContact O-CG 3.39Å; L217-L221 PolarHBondContact O-N 3Å
218Q69.4Low68.1Low70 Ų7077.6 Ų77.633%0.32741%0.412SS..Hα-helixtrans-58.7-46.8175.3-73.7177.4-46.500112.1K214 R215 Q216 C220 L221 V222 A267K214-Q218 WeakPolarHBondContact O-CG 3.08Å; K214-Q218 PolarHBondContact O-N 2.81Å; R215-Q218 PolarHBondContact O-N 3.3Å; Q216-Q218 PolarHBondContact O-N 3.37Å; Q218-C220 PolarHBondContact O-N 3.37Å; Q218-L221 PolarHBondContact O-N 2.86Å; Q218-V222 WeakPolarHBondContact O-CG2 3.39Å; Q218-V222 PolarHBondContact O-N 2.86Å; Q218-V222 VanDerWaalsContact O-N 3.1Å; Q218-A267 HydrophobicContact CG-CB 4.06Å
219C71.5Confident69.7Low72 Ų7273.8 Ų73.849%0.48639%0.387SS..Hα-helixtrans-61-43.6177.4-68.50000111.9R215 Q216 L217 L221 V222 Q223R215-C219 PolarHBondContact O-N 2.82Å; R215-C219 PolarHBondContact O-SG 2.75Å; R215-C219 VanDerWaalsContact O-SG 3.32Å; Q216-C219 PolarHBondContact O-N 3.36Å; L217-C219 PolarHBondContact O-N 3.47Å; C219-L221 VanDerWaalsContact C-N 3.35Å; C219-L221 PolarHBondContact O-N 3.24Å; C219-V222 PolarHBondContact O-N 2.87Å; C219-Q223 WeakPolarHBondContact O-CB 3.34Å; C219-Q223 WeakPolarHBondContact O-CG 3.16Å; C219-Q223 PolarHBondContact O-N 3.09Å
220C71.1Confident70.9Confident53 Ų5368.2 Ų68.236%0.35836%0.361SS..Hα-helixtrans-66-36.3178.2-66.80000112.6Q216 L217 Q218 Q223 D224Q216-C220 PolarHBondContact O-N 3.42Å; Q216-C220 PolarHBondContact O-SG 2.93Å; L217-C220 PolarHBondContact O-N 3.47Å; Q218-C220 PolarHBondContact O-N 3.37Å; C220-Q223 PolarHBondContact O-N 2.96Å; C220-D224 PolarHBondContact O-N 3.34Å; C220-D224 VanDerWaalsContact O-N 3.12Å
221L69.6Low71.9Confident31 Ų3166.1 Ų66.116%0.16235%0.35CS..Hα-helixtrans-67.1-39177.8-74.2170.6000112.4L217 Q218 C219 L227 I231 L269L217-L221 WeakPolarHBondContact O-CB 2.95Å; L217-L221 VanDerWaalsContact O-CG 3.22Å; L217-L221 WeakPolarHBondContact O-CG 3.39Å; L217-L221 PolarHBondContact O-N 3Å; Q218-L221 PolarHBondContact O-N 2.86Å; C219-L221 VanDerWaalsContact C-N 3.35Å; C219-L221 PolarHBondContact O-N 3.24Å; L221-L227 HydrophobicContact CD2-CB 4.25Å; L221-L227 HydrophobicContact CD2-CD1 3.58Å; L221-L227 HydrophobicContact CD2-CG 4.45Å; L221-I231 HydrophobicContact CB-CD1 4.26Å; L221-L269 HydrophobicContact CD1-CD1 3.93Å; L221-L269 HydrophobicContact CD2-CD1 3.97Å
222V72.4Confident72.6Confident110 Ų11071.1 Ų71.167%0.66736%0.36SS*.Hα-helixtrans-73.7-32.8176.9175.50000111.6Q218 C219 D224Q218-V222 WeakPolarHBondContact O-CG2 3.39Å; Q218-V222 PolarHBondContact O-N 2.86Å; Q218-V222 VanDerWaalsContact O-N 3.1Å; C219-V222 PolarHBondContact O-N 2.87Å; V222-D224 VanDerWaalsContact C-N 3.33Å
223Q74.7Confident73.5Confident154 Ų15473 Ų7372%0.7237%0.367SS*.Hα-helixtrans-69.8-29.6175.9-76.1172.1-400112.9C219 C220 S225C219-Q223 WeakPolarHBondContact O-CB 3.34Å; C219-Q223 WeakPolarHBondContact O-CG 3.16Å; C219-Q223 PolarHBondContact O-N 3.09Å; C220-Q223 PolarHBondContact O-N 2.96Å; Q223-S225 PolarHBondContact O-N 3.34Å
224D77.9Confident74Confident47 Ų4772.4 Ų72.425%0.25136%0.359SS..  trans-78.2111.8178.9-167.8-25.3000110.8C220 V222 E226 L227 A228C220-D224 PolarHBondContact O-N 3.34Å; C220-D224 VanDerWaalsContact O-N 3.12Å; V222-D224 VanDerWaalsContact C-N 3.33Å; D224-E226 PolarHBondContact O-N 2.73Å; D224-E226 VanDerWaalsContact O-N 3.17Å; D224-E226 PolarHBondContact OD1-N 2.88Å; D224-E226 VanDerWaalsContact OD1-N 3.11Å; D224-L227 HydrophobicContact CB-CB 4.14Å; D224-L227 HydrophobicContact CB-CD1 4.15Å; D224-L227 HydrophobicContact CB-CG 4.28Å; D224-L227 PolarHBondContact O-N 3.09Å; D224-A228 VanDerWaalsContact O-CB 3.31Å; D224-A228 WeakPolarHBondContact O-CB 3.44Å; D224-A228 PolarHBondContact O-N 3.41Å
225S76.1Confident74.6Confident78 Ų7873.7 Ų73.755%0.54537%0.366SS..Hα-helixtrans-63.6-21.3-175.664.80000113.9Q223 K229Q223-S225 PolarHBondContact O-N 3.34Å; S225-K229 WeakPolarHBondContact O-CD 3.5Å; S225-K229 VanDerWaalsContact O-CE 3.26Å; S225-K229 WeakPolarHBondContact O-CE 3.02Å; S225-K229 VanDerWaalsContact O-CG 3.28Å; S225-K229 WeakPolarHBondContact O-CG 3.44Å
226E76.3Confident75.2Confident37 Ų3769 Ų6917%0.17336%0.36CS..Hα-helixtrans-86.1-44.8176.7-64.8-63.4107.100111D224 K229 V230 N248 L249D224-E226 PolarHBondContact O-N 2.73Å; D224-E226 VanDerWaalsContact O-N 3.17Å; D224-E226 PolarHBondContact OD1-N 2.88Å; D224-E226 VanDerWaalsContact OD1-N 3.11Å; E226-K229 WeakPolarHBondContact O-CB 3.43Å; E226-K229 PolarHBondContact O-N 3.23Å; E226-K229 IonicContact OE1-NZ 2.8Å; E226-K229 PolarHBondContact OE1-NZ 3.46Å; E226-V230 WeakPolarHBondContact O-CG2 3.32Å; E226-V230 PolarHBondContact O-N 3.26Å; E226-V230 VanDerWaalsContact O-N 3.11Å; E226-N248 WeakPolarHBondContact OE2-CB 3.5Å; E226-L249 HydrophobicContact CB-CD2 4.24Å
227L73.7Confident75.5Confident15 Ų1567.4 Ų67.48%0.07936%0.363CS..Hα-helixtrans-70.1-35.3179.5-64.1175000112.2L221 D224 K229 V230 I231 F252L221-L227 HydrophobicContact CD2-CB 4.25Å; L221-L227 HydrophobicContact CD2-CD1 3.58Å; L221-L227 HydrophobicContact CD2-CG 4.45Å; D224-L227 HydrophobicContact CB-CB 4.14Å; D224-L227 HydrophobicContact CB-CD1 4.15Å; D224-L227 HydrophobicContact CB-CG 4.28Å; D224-L227 PolarHBondContact O-N 3.09Å; L227-K229 PolarHBondContact O-N 2.89Å; L227-V230 WeakPolarHBondContact O-CB 3.18Å; L227-V230 PolarHBondContact O-N 3.26Å; L227-V230 VanDerWaalsContact O-N 3.08Å; L227-I231 WeakPolarHBondContact O-CG1 3.35Å; L227-I231 PolarHBondContact O-N 2.78Å; L227-F252 HydrophobicContact CD2-CE1 4.13Å; L227-F252 HydrophobicContact CD2-CZ 3.86Å
228A77.1Confident76.1Confident38 Ų3865.5 Ų65.531%0.31435%0.351SS..Hα-helixtrans-59-36.6172.100000112.2D224 R232D224-A228 VanDerWaalsContact O-CB 3.31Å; D224-A228 WeakPolarHBondContact O-CB 3.44Å; D224-A228 PolarHBondContact O-N 3.41Å; A228-R232 WeakPolarHBondContact O-CB 3.21Å; A228-R232 PolarHBondContact O-N 3.29Å; A228-R232 VanDerWaalsContact O-N 3.07Å
229K79.6Confident76.5Confident85 Ų8563.4 Ų63.437%0.3734%0.343SS..Hα-helixtrans-68.9-40.1173.1-67.7167.8-165.6162.80111.7S225 E226 L227 R232 Y233 L249S225-K229 WeakPolarHBondContact O-CD 3.5Å; S225-K229 VanDerWaalsContact O-CE 3.26Å; S225-K229 WeakPolarHBondContact O-CE 3.02Å; S225-K229 VanDerWaalsContact O-CG 3.28Å; S225-K229 WeakPolarHBondContact O-CG 3.44Å; E226-K229 WeakPolarHBondContact O-CB 3.43Å; E226-K229 PolarHBondContact O-N 3.23Å; E226-K229 IonicContact OE1-NZ 2.8Å; E226-K229 PolarHBondContact OE1-NZ 3.46Å; L227-K229 PolarHBondContact O-N 2.89Å; K229-R232 PolarHBondContact O-N 3.1Å; K229-Y233 HydrophobicContact CB-CE2 4.25Å; K229-Y233 WeakPolarHBondContact O-CD2 3.41Å; K229-Y233 PolarHBondContact O-N 2.98Å; K229-L249 HydrophobicContact CB-CD1 4.04Å; K229-L249 HydrophobicContact CD-CD1 4.09Å
230V78.7Confident76.3Confident2 Ų265.8 Ų65.81%0.01236%0.361CS..Hα-helixtrans-61.5-47.5176.2177.40000110.8E226 L227 R232 Y233 L234 W238 L249 F252 L259E226-V230 WeakPolarHBondContact O-CG2 3.32Å; E226-V230 PolarHBondContact O-N 3.26Å; E226-V230 VanDerWaalsContact O-N 3.11Å; L227-V230 WeakPolarHBondContact O-CB 3.18Å; L227-V230 PolarHBondContact O-N 3.26Å; L227-V230 VanDerWaalsContact O-N 3.08Å; V230-R232 VanDerWaalsContact C-N 3.31Å; V230-R232 PolarHBondContact O-N 3.45Å; V230-Y233 PolarHBondContact O-N 3.41Å; V230-Y233 VanDerWaalsContact O-N 3.14Å; V230-L234 HydrophobicContact CG1-CD1 4.11Å; V230-L234 HydrophobicContact CG1-CG 4.46Å; V230-L234 WeakPolarHBondContact O-CG 3.5Å; V230-L234 PolarHBondContact O-N 2.98Å; V230-W238 HydrophobicContact CG1-CH2 4.21Å; V230-W238 HydrophobicContact CG1-CZ2 4.12Å; V230-W238 HydrophobicContact CG2-CH2 4.41Å; V230-L249 HydrophobicContact CG2-CD2 3.52Å; V230-F252 HydrophobicContact CG1-CB 4.35Å; V230-F252 HydrophobicContact CG1-CD1 4.31Å; V230-F252 HydrophobicContact CG1-CG 4.42Å; V230-F252 HydrophobicContact CG2-CB 4.09Å; V230-F252 HydrophobicContact CG2-CD1 4.25Å; V230-F252 HydrophobicContact CG2-CD2 3.92Å; V230-F252 HydrophobicContact CG2-CE2 4.38Å; V230-F252 HydrophobicContact CG2-CG 3.84Å; V230-L259 HydrophobicContact CG1-CD1 4.43Å
231I76.2Confident76.2Confident16 Ų1671.6 Ų71.68%0.08238%0.375CS..Hα-helixtrans-58.4-46.7177.3-66.5166.7000109.8L221 L227 Y233 L234 E235 Y261 L269L221-I231 HydrophobicContact CB-CD1 4.26Å; L227-I231 WeakPolarHBondContact O-CG1 3.35Å; L227-I231 PolarHBondContact O-N 2.78Å; I231-Y233 VanDerWaalsContact C-N 3.34Å; I231-Y233 PolarHBondContact O-N 3.13Å; I231-L234 WeakPolarHBondContact O-CB 3.38Å; I231-L234 PolarHBondContact O-N 2.88Å; I231-L234 VanDerWaalsContact O-N 3.1Å; I231-E235 PolarHBondContact O-N 2.79Å; I231-E235 VanDerWaalsContact O-N 3.08Å; I231-Y261 HydrophobicContact CD1-CE2 4.19Å; I231-Y261 HydrophobicContact CG1-CD2 4.22Å; I231-Y261 HydrophobicContact CG1-CE2 4.33Å; I231-Y261 HydrophobicContact CG2-CD1 3.93Å; I231-Y261 HydrophobicContact CG2-CD2 4.09Å; I231-Y261 HydrophobicContact CG2-CE1 3.8Å; I231-Y261 HydrophobicContact CG2-CE2 3.98Å; I231-Y261 HydrophobicContact CG2-CG 4.07Å; I231-L269 HydrophobicContact CD1-CD1 4Å; I231-L269 HydrophobicContact CG1-CD1 3.93Å
232R79.6Confident76Confident173 Ų17377.1 Ų77.165%0.65340%0.398SS*.Hα-helixtrans-58.5-42.7175.4-171.8178.2176.6-177.4-0.6112.6A228 K229 V230 L234 E235 T236A228-R232 WeakPolarHBondContact O-CB 3.21Å; A228-R232 PolarHBondContact O-N 3.29Å; A228-R232 VanDerWaalsContact O-N 3.07Å; K229-R232 PolarHBondContact O-N 3.1Å; V230-R232 VanDerWaalsContact C-N 3.31Å; V230-R232 PolarHBondContact O-N 3.45Å; R232-L234 VanDerWaalsContact C-N 3.32Å; R232-L234 PolarHBondContact O-N 3.32Å; R232-E235 PolarHBondContact O-N 3.31Å; R232-T236 HydrophobicContact CG-CG2 4.37Å; R232-T236 PolarHBondContact O-N 3.06Å; R232-T236 PolarHBondContact O-OG1 3.35Å
233Y81.7Confident75.5Confident58 Ų5881.9 Ų81.923%0.22741%0.41CS..Hα-helixtrans-68.7-28176.6-68.4-42.9000113.6K229 V230 I231 G237 W238 P239 L249K229-Y233 HydrophobicContact CB-CE2 4.25Å; K229-Y233 WeakPolarHBondContact O-CD2 3.41Å; K229-Y233 PolarHBondContact O-N 2.98Å; V230-Y233 PolarHBondContact O-N 3.41Å; V230-Y233 VanDerWaalsContact O-N 3.14Å; I231-Y233 VanDerWaalsContact C-N 3.34Å; I231-Y233 PolarHBondContact O-N 3.13Å; Y233-G237 CarbonylContact O-C 3.56Å; Y233-G237 WeakPolarHBondContact O-CA 3.48Å; Y233-G237 PolarHBondContact O-N 3.42Å; Y233-W238 HydrophobicContact CD2-CE3 4.02Å; Y233-W238 HydrophobicContact CD2-CH2 4.46Å; Y233-W238 AromaticContact CD2-CZ3 3.9Å; Y233-W238 HydrophobicContact CD2-CZ3 3.9Å; Y233-W238 HydrophobicContact CG-CD2 4.49Å; Y233-W238 HydrophobicContact CG-CE3 4.19Å; Y233-W238 HydrophobicContact CG-CZ3 4.47Å; Y233-W238 PolarHBondContact O-N 3.3Å; Y233-P239 HydrophobicContact CE1-CG 4.2Å; Y233-L249 HydrophobicContact CD2-CD1 4.49Å; Y233-L249 HydrophobicContact CE2-CD1 3.82Å
234L76.8Confident75.2Confident43 Ų4380 Ų8023%0.22540%0.401CS..Hα-helixtrans-71.2-34.7173.3-69.1169.1000111.7V230 I231 R232 W238 L259 L269V230-L234 HydrophobicContact CG1-CD1 4.11Å; V230-L234 HydrophobicContact CG1-CG 4.46Å; V230-L234 WeakPolarHBondContact O-CG 3.5Å; V230-L234 PolarHBondContact O-N 2.98Å; I231-L234 WeakPolarHBondContact O-CB 3.38Å; I231-L234 PolarHBondContact O-N 2.88Å; I231-L234 VanDerWaalsContact O-N 3.1Å; R232-L234 VanDerWaalsContact C-N 3.32Å; R232-L234 PolarHBondContact O-N 3.32Å; L234-W238 HydrophobicContact CD2-CZ2 4.49Å; L234-L259 HydrophobicContact CD1-CB 4.14Å; L234-L259 HydrophobicContact CD2-CB 3.7Å; L234-L269 HydrophobicContact CD1-CD2 4.49Å
235E77.8Confident74.8Confident117 Ų11778.1 Ų78.155%0.54739%0.391SS..Hα-helixtrans-78-45176.9-68.2177.9167.400113I231 R232 Y261I231-E235 PolarHBondContact O-N 2.79Å; I231-E235 VanDerWaalsContact O-N 3.08Å; R232-E235 PolarHBondContact O-N 3.31Å; E235-Y261 HydrophobicContact CG-CD1 4.42Å; E235-Y261 WeakPolarHBondContact OE1-CE1 3.22Å
236T78.9Confident74.8Confident103 Ų10376.6 Ų76.663%0.63238%0.38SS*.Hα-helixtrans-92.2-9.8-174.865.50000114R232R232-T236 HydrophobicContact CG-CG2 4.37Å; R232-T236 PolarHBondContact O-N 3.06Å; R232-T236 PolarHBondContact O-OG1 3.35Å
237G78.5Confident74.6Confident40 Ų4079.9 Ų79.941%0.41240%0.399SS..  trans90148.8-168.700000112.8Y233Y233-G237 CarbonylContact O-C 3.56Å; Y233-G237 WeakPolarHBondContact O-CA 3.48Å; Y233-G237 PolarHBondContact O-N 3.42Å
238W80.7Confident74.7Confident34 Ų3483.4 Ų83.413%0.12942%0.418CS..  trans-76.8142.4178.9-7184.4000111.6V230 Y233 L234 S240 I245 F252 F253 Q256 L259V230-W238 HydrophobicContact CG1-CH2 4.21Å; V230-W238 HydrophobicContact CG1-CZ2 4.12Å; V230-W238 HydrophobicContact CG2-CH2 4.41Å; Y233-W238 HydrophobicContact CD2-CE3 4.02Å; Y233-W238 HydrophobicContact CD2-CH2 4.46Å; Y233-W238 AromaticContact CD2-CZ3 3.9Å; Y233-W238 HydrophobicContact CD2-CZ3 3.9Å; Y233-W238 HydrophobicContact CG-CD2 4.49Å; Y233-W238 HydrophobicContact CG-CE3 4.19Å; Y233-W238 HydrophobicContact CG-CZ3 4.47Å; Y233-W238 PolarHBondContact O-N 3.3Å; L234-W238 HydrophobicContact CD2-CZ2 4.49Å; W238-S240 PolarHBondContact O-N 3.22Å; W238-I245 HydrophobicContact CE3-CD1 4.46Å; W238-F252 HydrophobicContact CH2-CB 3.58Å; W238-F252 HydrophobicContact CZ2-CB 4.22Å; W238-F253 HydrophobicContact CB-CD2 4.05Å; W238-F253 HydrophobicContact CB-CE2 3.99Å; W238-F253 AromaticContact CD2-CD2 3.91Å; W238-F253 HydrophobicContact CD2-CD2 3.91Å; W238-F253 HydrophobicContact CE3-CB 3.96Å; W238-F253 AromaticContact CE3-CD2 3.54Å; W238-F253 HydrophobicContact CE3-CD2 3.54Å; W238-F253 HydrophobicContact CE3-CG 4.24Å; W238-F253 HydrophobicContact CG-CD2 4.16Å; W238-F253 HydrophobicContact CH2-CB 4.44Å; W238-F253 HydrophobicContact CZ3-CB 3.79Å; W238-F253 HydrophobicContact CZ3-CD2 4.27Å; W238-Q256 HydrophobicContact CD2-CB 4.27Å; W238-Q256 HydrophobicContact CG-CB 4.15Å; W238-Q256 HydrophobicContact CZ2-CB 4.5Å; W238-L259 HydrophobicContact CZ2-CD1 4.09Å
239P76.9Confident74.5Confident25 Ų2581.7 Ų81.716%0.16240%0.403CS..  trans-63.9133.3175.325-32.9000111Y233 R241 E244 I245Y233-P239 HydrophobicContact CE1-CG 4.2Å; P239-R241 PolarHBondContact O-N 3.43Å; P239-E244 HydrophobicContact CB-CB 4.45Å; P239-I245 HydrophobicContact CG-CD1 4.2Å; P239-I245 HydrophobicContact CG-CG1 3.8Å
240S68.5Low74.1Confident122 Ų12283.7 Ų83.785%0.85341%0.409SS*.SBendtrans-68.2-18.2-172.7-420000113.7W238W238-S240 PolarHBondContact O-N 3.22Å
241R67.9Low74Confident175 Ų17585.5 Ų85.566%0.6642%0.42SS*.  trans-102.7115.1-177.1-69.2178.7176.3-179.90.7110.6P239 K243 E244P239-R241 PolarHBondContact O-N 3.43Å; R241-K243 PolarHBondContact O-N 3.1Å; R241-E244 HydrophobicContact CB-CG 4.27Å; R241-E244 WeakPolarHBondContact CD-OE1 3.46Å; R241-E244 PolarHBondContact O-N 3.46Å
242K65.2Low73.9Confident148 Ų14886.2 Ų86.264%0.64342%0.423SS*.G310 helixtrans-51.1-23.9173.4-71.5-174.5176.8-174.40114.5E244 F253K242-E244 VanDerWaalsContact C-N 3.34Å; K242-F253 HydrophobicContact CD-CE1 4.44Å; K242-F253 HydrophobicContact CG-CD1 4.44Å; K242-F253 HydrophobicContact CG-CE1 3.74Å; K242-F253 HydrophobicContact CG-CZ 4.42Å
243K63.7Low73.7Confident210 Ų21079.4 Ų79.491%0.91340%0.398SS*.G310 helixtrans-74.5-19.3179.1-68.1-174.1178-177.70114.1R241 I245R241-K243 PolarHBondContact O-N 3.1Å; K243-I245 VanDerWaalsContact C-N 3.33Å
244E67.5Low73.3Confident113 Ų11383.8 Ų83.853%0.52842%0.421SS..G310 helixtrans-87.6-7.9179.9-70.3167.1-166.100112.3P239 R241 K242P239-E244 HydrophobicContact CB-CB 4.45Å; R241-E244 HydrophobicContact CB-CG 4.27Å; R241-E244 WeakPolarHBondContact CD-OE1 3.46Å; R241-E244 PolarHBondContact O-N 3.46Å; K242-E244 VanDerWaalsContact C-N 3.34Å
245I70.2Confident72.8Confident8 Ų885.8 Ų85.84%0.04143%0.425CS..SBendtrans-96.3123-176.5-55.1177.1000108.7W238 P239 K243 L249 F253W238-I245 HydrophobicContact CE3-CD1 4.46Å; P239-I245 HydrophobicContact CG-CD1 4.2Å; P239-I245 HydrophobicContact CG-CG1 3.8Å; K243-I245 VanDerWaalsContact C-N 3.33Å; I245-L249 HydrophobicContact CG2-CB 3.57Å; I245-F253 HydrophobicContact CD1-CB 3.82Å; I245-F253 HydrophobicContact CD1-CD1 3.85Å; I245-F253 HydrophobicContact CD1-CD2 3.26Å; I245-F253 HydrophobicContact CD1-CE1 4.21Å; I245-F253 HydrophobicContact CD1-CE2 3.66Å; I245-F253 HydrophobicContact CD1-CG 3.34Å; I245-F253 HydrophobicContact CD1-CZ 4.11Å
246S74.7Confident72.6Confident47 Ų4784.2 Ų84.233%0.32942%0.418SS..  trans-57.5146.7174.353.80000110.8N248 L249 R250S246-N248 PolarHBondContact O-N 3.2Å; S246-L249 PolarHBondContact O-N 3.38Å; S246-L249 WeakPolarHBondContact OG-CD1 3.37Å; S246-L249 VanDerWaalsContact OG-CG 3.26Å; S246-L249 WeakPolarHBondContact OG-CG 3.47Å; S246-R250 PolarHBondContact O-N 2.95Å
247D73.4Confident72Confident105 Ų10584.6 Ų84.656%0.56143%0.425SS*.THydrogen-bonded Turntrans-55.7-28.2-177.8-72.1-0.4000113.1L249 R250D247-L249 VanDerWaalsContact C-N 3.31Å; D247-L249 PolarHBondContact O-N 2.92Å; D247-R250 IonicContact OD1-CZ 2.92Å; D247-R250 IonicContact OD1-NE 3.13Å; D247-R250 PolarHBondContact OD1-NE 3.47Å; D247-R250 VanDerWaalsContact OD1-NE 3.13Å; D247-R250 IonicContact OD1-NH1 3.75Å; D247-R250 IonicContact OD1-NH2 3.05Å; D247-R250 PolarHBondContact OD1-NH2 3.05Å
248N74.4Confident71.4Confident90 Ų9086.9 Ų86.948%0.48143%0.425SS..THydrogen-bonded Turntrans-67.9-27.9175.7-67.6-21.4000113.6E226 S246 P251E226-N248 WeakPolarHBondContact OE2-CB 3.5Å; S246-N248 PolarHBondContact O-N 3.2Å; N248-P251 WeakPolarHBondContact O-CD 3.26Å
249L73.5Confident70.9Confident1 Ų186.3 Ų86.31%0.00542%0.424CS..THydrogen-bonded Turntrans-97.1-10.2-175.8-64.6-178.4000114.1E226 K229 V230 Y233 I245 S246 D247 F252 F253E226-L249 HydrophobicContact CB-CD2 4.24Å; K229-L249 HydrophobicContact CB-CD1 4.04Å; K229-L249 HydrophobicContact CD-CD1 4.09Å; V230-L249 HydrophobicContact CG2-CD2 3.52Å; Y233-L249 HydrophobicContact CD2-CD1 4.49Å; Y233-L249 HydrophobicContact CE2-CD1 3.82Å; I245-L249 HydrophobicContact CG2-CB 3.57Å; S246-L249 PolarHBondContact O-N 3.38Å; S246-L249 WeakPolarHBondContact OG-CD1 3.37Å; S246-L249 VanDerWaalsContact OG-CG 3.26Å; S246-L249 WeakPolarHBondContact OG-CG 3.47Å; D247-L249 VanDerWaalsContact C-N 3.31Å; D247-L249 PolarHBondContact O-N 2.92Å; L249-F252 HydrophobicContact CD2-CD2 4.19Å; L249-F252 PolarHBondContact O-N 3.23Å; L249-F252 VanDerWaalsContact O-N 3.12Å; L249-F253 PolarHBondContact O-N 3.26Å; L249-F253 VanDerWaalsContact O-N 3.09Å
250R72.4Confident70.3Confident128 Ų12887.5 Ų87.548%0.48343%0.433SS..Hα-helixtrans-52.5-42.5176.5-68.2-178.2-176.1174.74.9114.3S246 D247 F252 F253 E254S246-R250 PolarHBondContact O-N 2.95Å; D247-R250 IonicContact OD1-CZ 2.92Å; D247-R250 IonicContact OD1-NE 3.13Å; D247-R250 PolarHBondContact OD1-NE 3.47Å; D247-R250 VanDerWaalsContact OD1-NE 3.13Å; D247-R250 IonicContact OD1-NH1 3.75Å; D247-R250 IonicContact OD1-NH2 3.05Å; D247-R250 PolarHBondContact OD1-NH2 3.05Å; R250-F252 VanDerWaalsContact C-N 3.25Å; R250-F252 PolarHBondContact O-N 3.05Å; R250-F253 PolarHBondContact O-N 3Å; R250-E254 PolarHBondContact O-N 2.82Å
251P75.7Confident70.2Confident40 Ų4084.5 Ų84.526%0.2640%0.403SS..Hα-helixtrans-62-33.4179.3-22.334000113.2N248N248-P251 WeakPolarHBondContact O-CD 3.26Å
252F74Confident69.8Low31 Ų3180.6 Ų80.614%0.13639%0.392CS..Hα-helixtrans-76.1-38.7177.7-60.7-81.5000111.2L227 V230 W238 L249 R250 E254 R255 Q256 L259L227-F252 HydrophobicContact CD2-CE1 4.13Å; L227-F252 HydrophobicContact CD2-CZ 3.86Å; V230-F252 HydrophobicContact CG1-CB 4.35Å; V230-F252 HydrophobicContact CG1-CD1 4.31Å; V230-F252 HydrophobicContact CG1-CG 4.42Å; V230-F252 HydrophobicContact CG2-CB 4.09Å; V230-F252 HydrophobicContact CG2-CD1 4.25Å; V230-F252 HydrophobicContact CG2-CD2 3.92Å; V230-F252 HydrophobicContact CG2-CE2 4.38Å; V230-F252 HydrophobicContact CG2-CG 3.84Å; W238-F252 HydrophobicContact CH2-CB 3.58Å; W238-F252 HydrophobicContact CZ2-CB 4.22Å; L249-F252 HydrophobicContact CD2-CD2 4.19Å; L249-F252 PolarHBondContact O-N 3.23Å; L249-F252 VanDerWaalsContact O-N 3.12Å; R250-F252 VanDerWaalsContact C-N 3.25Å; R250-F252 PolarHBondContact O-N 3.05Å; F252-E254 PolarHBondContact O-N 3.27Å; F252-R255 CarbonylContact O-C 3.55Å; F252-R255 VanDerWaalsContact O-C 3.29Å; F252-R255 PolarHBondContact O-N 3.19Å; F252-R255 VanDerWaalsContact O-N 3.13Å; F252-Q256 PolarHBondContact O-N 3.03Å; F252-L259 HydrophobicContact CB-CD1 3.97Å; F252-L259 HydrophobicContact CD1-CD1 4.25Å; F252-L259 VanDerWaalsContact O-CD1 3.32Å; F252-L259 WeakPolarHBondContact O-CD1 3.5Å
253F75.5Confident69.4Low30 Ų3077.7 Ų77.713%0.13238%0.384CS..Hα-helixtrans-63.1-41.1176.5178.7-106000112.8W238 K242 I245 L249 R250 R255 Q256W238-F253 HydrophobicContact CB-CD2 4.05Å; W238-F253 HydrophobicContact CB-CE2 3.99Å; W238-F253 AromaticContact CD2-CD2 3.91Å; W238-F253 HydrophobicContact CD2-CD2 3.91Å; W238-F253 HydrophobicContact CE3-CB 3.96Å; W238-F253 AromaticContact CE3-CD2 3.54Å; W238-F253 HydrophobicContact CE3-CD2 3.54Å; W238-F253 HydrophobicContact CE3-CG 4.24Å; W238-F253 HydrophobicContact CG-CD2 4.16Å; W238-F253 HydrophobicContact CH2-CB 4.44Å; W238-F253 HydrophobicContact CZ3-CB 3.79Å; W238-F253 HydrophobicContact CZ3-CD2 4.27Å; K242-F253 HydrophobicContact CD-CE1 4.44Å; K242-F253 HydrophobicContact CG-CD1 4.44Å; K242-F253 HydrophobicContact CG-CE1 3.74Å; K242-F253 HydrophobicContact CG-CZ 4.42Å; I245-F253 HydrophobicContact CD1-CB 3.82Å; I245-F253 HydrophobicContact CD1-CD1 3.85Å; I245-F253 HydrophobicContact CD1-CD2 3.26Å; I245-F253 HydrophobicContact CD1-CE1 4.21Å; I245-F253 HydrophobicContact CD1-CE2 3.66Å; I245-F253 HydrophobicContact CD1-CG 3.34Å; I245-F253 HydrophobicContact CD1-CZ 4.11Å; L249-F253 PolarHBondContact O-N 3.26Å; L249-F253 VanDerWaalsContact O-N 3.09Å; R250-F253 PolarHBondContact O-N 3Å; F253-R255 PolarHBondContact O-N 2.96Å; F253-R255 VanDerWaalsContact O-N 3.16Å; F253-Q256 WeakPolarHBondContact O-CB 3.43Å; F253-Q256 WeakPolarHBondContact O-CG 3.23Å; F253-Q256 PolarHBondContact O-N 3.35Å; F253-Q256 VanDerWaalsContact O-N 3.16Å
254E73.8Confident68.6Low150 Ų15076.5 Ų76.570%0.70138%0.381SS*.Hα-helixtrans-60.3-24.8175.9-73.6179.4178.300112.7R250 F252R250-E254 PolarHBondContact O-N 2.82Å; F252-E254 PolarHBondContact O-N 3.27Å
255R65.8Low67.1Low85 Ų8574.3 Ų74.332%0.32139%0.389SS..THydrogen-bonded Turntrans-112.422.7179.5-61.6-169.6-171.3162.14.5113.1F252 F253 S257 E258 L259 R274 Y275F252-R255 CarbonylContact O-C 3.55Å; F252-R255 VanDerWaalsContact O-C 3.29Å; F252-R255 PolarHBondContact O-N 3.19Å; F252-R255 VanDerWaalsContact O-N 3.13Å; F253-R255 PolarHBondContact O-N 2.96Å; F253-R255 VanDerWaalsContact O-N 3.16Å; R255-S257 PolarHBondContact O-N 3.49Å; R255-E258 HydrophobicContact CB-CB 4.32Å; R255-E258 WeakPolarHBondContact O-CA 3.4Å; R255-E258 PolarHBondContact O-N 3.27Å; R255-L259 WeakPolarHBondContact O-CG 3.48Å; R255-L259 PolarHBondContact O-N 3.33Å; R255-R274 PolarHBondContact NH1-O 3.45Å; R255-Y275 PolarHBondContact NH1-O 3.07Å; R255-Y275 PolarHBondContact NH2-O 2.85Å
256Q73.7Confident65.4Low84 Ų8480 Ų8039%0.39341%0.413SS..G310 helixtrans-53.7-31.2-178.162.5179.9-16.500113.7W238 F252 F253 E258W238-Q256 HydrophobicContact CD2-CB 4.27Å; W238-Q256 HydrophobicContact CG-CB 4.15Å; W238-Q256 HydrophobicContact CZ2-CB 4.5Å; F252-Q256 PolarHBondContact O-N 3.03Å; F253-Q256 WeakPolarHBondContact O-CB 3.43Å; F253-Q256 WeakPolarHBondContact O-CG 3.23Å; F253-Q256 PolarHBondContact O-N 3.35Å; F253-Q256 VanDerWaalsContact O-N 3.16Å; Q256-E258 VanDerWaalsContact C-N 3.32Å
257S66.6Low63.5Low111 Ų11178.6 Ų78.678%0.77641%0.405SS*.G310 helixtrans-78.4-13.3177.555.90000114.2R255R255-S257 PolarHBondContact O-N 3.49Å
258E66Low61.9Low88 Ų8877.7 Ų77.741%0.41140%0.397SS..G310 helixtrans-103.8-2.7179.8-60.8-177.1-174.200112.4R255 Q256 L272R255-E258 HydrophobicContact CB-CB 4.32Å; R255-E258 WeakPolarHBondContact O-CA 3.4Å; R255-E258 PolarHBondContact O-N 3.27Å; Q256-E258 VanDerWaalsContact C-N 3.32Å; E258-L272 HydrophobicContact CB-CD1 4.26Å; E258-L272 HydrophobicContact CG-CD1 4.39Å
259L69.3Low60.2Low21 Ų2175 Ų7511%0.1138%0.383CS..EExtended strand (participates in β ladder)trans-103.3130.7-178.4-68.7170.3000110.1V230 L234 W238 F252 R255 C271V230-L259 HydrophobicContact CG1-CD1 4.43Å; L234-L259 HydrophobicContact CD1-CB 4.14Å; L234-L259 HydrophobicContact CD2-CB 3.7Å; W238-L259 HydrophobicContact CZ2-CD1 4.09Å; F252-L259 HydrophobicContact CB-CD1 3.97Å; F252-L259 HydrophobicContact CD1-CD1 4.25Å; F252-L259 VanDerWaalsContact O-CD1 3.32Å; F252-L259 WeakPolarHBondContact O-CD1 3.5Å; R255-L259 WeakPolarHBondContact O-CG 3.48Å; R255-L259 PolarHBondContact O-N 3.33Å; L259-C271 WeakPolarHBondContact CD2-SG 3.33Å
260S64.9Low58.6Low50 Ų5082.1 Ų82.135%0.3541%0.41SS..EExtended strand (participates in β ladder)trans-135.6145.117358.10000111.1
261Y65.5Low57.2Low59 Ų5977.5 Ų77.523%0.23140%0.397CS..EExtended strand (participates in β ladder)trans-123.8119.8174.2179.7-107.2000108.4I231 E235 D263 L269I231-Y261 HydrophobicContact CD1-CE2 4.19Å; I231-Y261 HydrophobicContact CG1-CD2 4.22Å; I231-Y261 HydrophobicContact CG1-CE2 4.33Å; I231-Y261 HydrophobicContact CG2-CD1 3.93Å; I231-Y261 HydrophobicContact CG2-CD2 4.09Å; I231-Y261 HydrophobicContact CG2-CE1 3.8Å; I231-Y261 HydrophobicContact CG2-CE2 3.98Å; I231-Y261 HydrophobicContact CG2-CG 4.07Å; E235-Y261 HydrophobicContact CG-CD1 4.42Å; E235-Y261 WeakPolarHBondContact OE1-CE1 3.22Å; Y261-D263 HydrophobicContact CD1-CB 4.45Å; Y261-D263 HydrophobicContact CE1-CB 3.81Å; Y261-D263 VanDerWaalsContact CE1-OD2 3.26Å; Y261-D263 WeakPolarHBondContact CE1-OD2 3.39Å; Y261-D263 VanDerWaalsContact CZ-OD1 3.3Å; Y261-D263 PolarHBondContact OH-OD1 3.48Å; Y261-D263 PolarHBondContact OH-OD2 2.95Å; Y261-L269 HydrophobicContact CD2-CD1 4.48Å; Y261-L269 HydrophobicContact CD2-CG 4.27Å
262E60.8Low55.1Low93 Ų9380.4 Ų80.444%0.43541%0.409SS..  trans-108.9105.1-179.9-75-170.8176.500110.9K266 A267E262-K266 WeakPolarHBondContact CB-O 3.46Å; E262-K266 CarbonylContact O-C 3.52Å; E262-A267 WeakPolarHBondContact O-CA 3.27Å; E262-A267 PolarHBondContact O-N 2.98Å; E262-A267 VanDerWaalsContact O-N 3.08Å
263D57Low53.3Low88 Ų8885.3 Ų85.347%0.47144%0.436SS..  trans-89.8-0.6-177.1-123.5-2.7000114.8Y261 G265Y261-D263 HydrophobicContact CD1-CB 4.45Å; Y261-D263 HydrophobicContact CE1-CB 3.81Å; Y261-D263 VanDerWaalsContact CE1-OD2 3.26Å; Y261-D263 WeakPolarHBondContact CE1-OD2 3.39Å; Y261-D263 VanDerWaalsContact CZ-OD1 3.3Å; Y261-D263 PolarHBondContact OH-OD1 3.48Å; Y261-D263 PolarHBondContact OH-OD2 2.95Å; D263-G265 PolarHBondContact O-N 3.14Å
264H45.3Very low51.6Low184 Ų18487.4 Ų87.485%0.85244%0.444SS*.SBendtrans-84.674.4-177.6-64.2-53.5000112.2K266H264-K266 PolarHBondContact O-N 3.12Å
265G37.1Very low50Low67 Ų6786.7 Ų86.769%0.69144%0.435SS*.SBendtrans64.96.1175.100000114.3K214 D263K214-G265 PolarHBondContact NZ-O 2.83Å; D263-G265 PolarHBondContact O-N 3.14Å
266K35.1Very low48.8Very low127 Ų12785.2 Ų85.255%0.55243%0.434SS*.  trans-141.956.1-177.9-73.2-172.4178.7-179.70110.5E262 H264 E268E262-K266 WeakPolarHBondContact CB-O 3.46Å; E262-K266 CarbonylContact O-C 3.52Å; H264-K266 PolarHBondContact O-N 3.12Å; K266-E268 PolarHBondContact O-N 3.49Å
267A34.5Very low47.5Very low18 Ų1890.8 Ų90.815%0.14945%0.451CS..  trans-63.185.8169.100000110.4Q218 E262Q218-A267 HydrophobicContact CG-CB 4.06Å; E262-A267 WeakPolarHBondContact O-CA 3.27Å; E262-A267 PolarHBondContact O-N 2.98Å; E262-A267 VanDerWaalsContact O-N 3.08Å
268E39.5Very low46.5Very low86 Ų8690.2 Ų90.240%0.40244%0.435SS..  trans-117.7108.9169.5-68.5180168.500105K266 W270K266-E268 PolarHBondContact O-N 3.49Å; E268-W270 HydrophobicContact CB-CG 4.5Å; E268-W270 VanDerWaalsContact CB-NE1 3.31Å; E268-W270 PolarHBondContact O-N 3.26Å; E268-W270 WeakPolarHBondContact OE2-CZ2 3.46Å; E268-W270 PolarHBondContact OE2-NE1 3.08Å
269L38.1Very low45.5Very low34 Ų3489.5 Ų89.518%0.17843%0.43CS..EExtended strand (participates in β ladder)trans-69.690.7163-117.6154.2000105.8L221 I231 L234 Y261 C271L221-L269 HydrophobicContact CD1-CD1 3.93Å; L221-L269 HydrophobicContact CD2-CD1 3.97Å; I231-L269 HydrophobicContact CD1-CD1 4Å; I231-L269 HydrophobicContact CG1-CD1 3.93Å; L234-L269 HydrophobicContact CD1-CD2 4.49Å; Y261-L269 HydrophobicContact CD2-CD1 4.48Å; Y261-L269 HydrophobicContact CD2-CG 4.27Å; L269-C271 PolarHBondContact O-N 3.18Å
270W40.8Very low44.4Very low150 Ų15095 Ų9557%0.56845%0.45SS*.EExtended strand (participates in β ladder)trans-74.780169.2-75.881.3000107.5E268 L272E268-W270 HydrophobicContact CB-CG 4.5Å; E268-W270 VanDerWaalsContact CB-NE1 3.31Å; E268-W270 PolarHBondContact O-N 3.26Å; E268-W270 WeakPolarHBondContact OE2-CZ2 3.46Å; E268-W270 PolarHBondContact OE2-NE1 3.08Å; W270-L272 PolarHBondContact O-N 2.89Å
271C42.3Very low43.5Very low32 Ų3299.4 Ų99.422%0.21646%0.463CS..EExtended strand (participates in β ladder)trans-64.7120.4145.3-70.70000104.9L259 L269 L273L259-C271 WeakPolarHBondContact CD2-SG 3.33Å; L269-C271 PolarHBondContact O-N 3.18Å; C271-L273 PolarHBondContact O-N 3.28Å
272L31.7Very low42.4Very low100 Ų10098.9 Ų98.952%0.52447%0.467SS..  trans-44.1113.9152.6-84.5163.2000105.7E258 W270 R274E258-L272 HydrophobicContact CB-CD1 4.26Å; E258-L272 HydrophobicContact CG-CD1 4.39Å; W270-L272 PolarHBondContact O-N 2.89Å; L272-R274 HydrophobicContact CB-CB 4.41Å; L272-R274 PolarHBondContact O-N 2.92Å
273L36.4Very low41.8Very low134 Ų13497.8 Ų97.870%0.70246%0.459SS*.SBendtrans-6261-177.1-83.3157.6000110.4L205 C271L205-L273 HydrophobicContact CD1-CD1 4Å; C271-L273 PolarHBondContact O-N 3.28Å
274R39.9Very low41.4Very low75 Ų7598.3 Ų98.328%0.28346%0.46SS..  trans-138.3100.5-166-95.8-173.3-177-160.6-6.1105.2L158 R255 L272L158-R274 HydrophobicContact CD2-CG 3.74Å; R255-R274 PolarHBondContact NH1-O 3.45Å; L272-R274 HydrophobicContact CB-CB 4.41Å; L272-R274 PolarHBondContact O-N 2.92Å
275Y38.9Very low41.6Very low134 Ų13496.8 Ų96.853%0.52545%0.451SS..SBendtrans75.947.9151.9-63.4-89.8000120.1R143 R255R143-Y275 WeakPolarHBondContact CD-OH 3.15Å; R143-Y275 PolarHBondContact NH1-OH 3.3Å; R255-Y275 PolarHBondContact NH1-O 3.07Å; R255-Y275 PolarHBondContact NH2-O 2.85Å
276D42.2Very low41.9Very low54 Ų5494.4 Ų94.429%0.28943%0.425SS..  trans-140.7121.8154.6-157-17.8000114.4K278 F279D276-K278 PolarHBondContact O-N 2.98Å; D276-K278 PolarHBondContact OD1-N 3.39Å; D276-F279 PolarHBondContact O-N 2.82Å
277R45.5Very low42.3Very low202 Ų20289.5 Ų89.576%0.76241%0.406SS*.Hα-helixtrans-61.5-23.9172.5-86.4-178.5171.5-178.9-2.1112.2K281R277-K281 PolarHBondContact O-N 2.94Å
278K45.7Very low42.7Very low98 Ų9895.1 Ų95.143%0.42643%0.429SS..Hα-helixtrans-73.2-36.6-179.9-73.6-177.7177.2-178.60113D276 K281 C282D276-K278 PolarHBondContact O-N 2.98Å; D276-K278 PolarHBondContact OD1-N 3.39Å; K278-K281 WeakPolarHBondContact O-CB 3.49Å; K278-K281 PolarHBondContact O-N 3.27Å; K278-K281 VanDerWaalsContact O-N 3.11Å; K278-C282 PolarHBondContact O-N 2.9Å
279F45.1Very low42.9Very low74 Ų7494.4 Ų94.433%0.32544%0.438SS..Hα-helixtrans-69.2-37.7176.9-158.1-91.7000111.5D276 K281 C282 Y283D276-F279 PolarHBondContact O-N 2.82Å; F279-K281 PolarHBondContact O-N 3.29Å; F279-C282 PolarHBondContact O-N 2.94Å; F279-C282 VanDerWaalsContact O-N 3.11Å; F279-Y283 PolarHBondContact O-N 2.83Å
280W46.8Very low43Very low136 Ų13696.3 Ų96.352%0.51545%0.448SS..Hα-helixtrans-59.6-33169.4-95.494.9000112.8Y283 M284W280-Y283 HydrophobicContact CE3-CD1 4.48Å; W280-Y283 HydrophobicContact CZ3-CD1 4.38Å; W280-M284 HydrophobicContact CE3-CG 4.11Å; W280-M284 WeakPolarHBondContact O-CB 3.36Å; W280-M284 WeakPolarHBondContact O-CG 3.43Å; W280-M284 PolarHBondContact O-N 3.11Å
281K45.3Very low42.9Very low143 Ų14399.6 Ų99.662%0.62246%0.46SS*.Hα-helixtrans-66.5-38.9172.7-77.1-179.1175.6-176.40112.6R277 K278 F279 K285R277-K281 PolarHBondContact O-N 2.94Å; K278-K281 WeakPolarHBondContact O-CB 3.49Å; K278-K281 PolarHBondContact O-N 3.27Å; K278-K281 VanDerWaalsContact O-N 3.11Å; F279-K281 PolarHBondContact O-N 3.29Å; K281-K285 VanDerWaalsContact O-CB 3.32Å; K281-K285 WeakPolarHBondContact O-CB 3.12Å; K281-K285 VanDerWaalsContact O-CG 3.31Å; K281-K285 WeakPolarHBondContact O-CG 3.36Å; K281-K285 PolarHBondContact O-N 3.4Å
282C43.3Very low42.4Very low48 Ų48109.3 Ų109.332%0.32450%0.503SS..Hα-helixtrans-69.2-43175.7-73.90000111.7K278 F279 M284 K285 A286K278-C282 PolarHBondContact O-N 2.9Å; F279-C282 PolarHBondContact O-N 2.94Å; F279-C282 VanDerWaalsContact O-N 3.11Å; C282-M284 PolarHBondContact O-N 3.29Å; C282-K285 PolarHBondContact O-N 2.9Å; C282-A286 WeakPolarHBondContact O-CB 3.22Å; C282-A286 PolarHBondContact O-N 3.41Å
283Y47Very low43Very low69 Ų69109.8 Ų109.827%0.27150%0.501SS..Hα-helixtrans-59.4-46.9173.5-175-93.2000111.4L210 L212 F279 W280 K285 A286 T287L210-Y283 HydrophobicContact CD2-CE2 4.46Å; L210-Y283 WeakPolarHBondContact CD2-OH 3.15Å; L212-Y283 HydrophobicContact CD1-CD2 4.13Å; L212-Y283 HydrophobicContact CD1-CE2 3.74Å; F279-Y283 PolarHBondContact O-N 2.83Å; W280-Y283 HydrophobicContact CE3-CD1 4.48Å; W280-Y283 HydrophobicContact CZ3-CD1 4.38Å; Y283-K285 PolarHBondContact O-N 3.32Å; Y283-A286 PolarHBondContact O-N 3.46Å; Y283-T287 HydrophobicContact CD1-CG2 4.33Å; Y283-T287 HydrophobicContact CE1-CG2 3.88Å; Y283-T287 WeakPolarHBondContact O-CG2 3.41Å; Y283-T287 PolarHBondContact O-N 3.14Å; Y283-T287 PolarHBondContact O-OG1 3.48Å
284M49.3Very low43.3Very low100 Ų100108.5 Ų108.549%0.49349%0.491SS..Hα-helixtrans-63.9-39.4177.4-72.3-81.1-87.200112.8W280 C282 T287 Q288W280-M284 HydrophobicContact CE3-CG 4.11Å; W280-M284 WeakPolarHBondContact O-CB 3.36Å; W280-M284 WeakPolarHBondContact O-CG 3.43Å; W280-M284 PolarHBondContact O-N 3.11Å; C282-M284 PolarHBondContact O-N 3.29Å; M284-T287 VanDerWaalsContact CA-OG1 3.3Å; M284-T287 WeakPolarHBondContact CA-OG1 3.43Å; M284-T287 PolarHBondContact O-N 3.27Å; M284-T287 PolarHBondContact O-OG1 3.23Å; M284-Q288 WeakPolarHBondContact O-CB 3.35Å; M284-Q288 PolarHBondContact O-N 3.23Å
285K48.4Very low43.5Very low151 Ų151110.4 Ų110.466%0.65750%0.503SS*.Hα-helixtrans-64.8-42.7174.6-83.1-177175-172.50112.1K281 C282 Y283 T287 Q288 A289K281-K285 VanDerWaalsContact O-CB 3.32Å; K281-K285 WeakPolarHBondContact O-CB 3.12Å; K281-K285 VanDerWaalsContact O-CG 3.31Å; K281-K285 WeakPolarHBondContact O-CG 3.36Å; K281-K285 PolarHBondContact O-N 3.4Å; C282-K285 PolarHBondContact O-N 2.9Å; Y283-K285 PolarHBondContact O-N 3.32Å; K285-T287 VanDerWaalsContact C-N 3.33Å; K285-Q288 PolarHBondContact O-N 3.24Å; K285-A289 PolarHBondContact O-N 3Å; K285-A289 VanDerWaalsContact O-N 3.09Å
286A43.4Very low43.7Very low18 Ų18109 Ų10915%0.14950%0.501CS..Hα-helixtrans-64.8-37.8176.700000111.6L212 C282 Y283L212-A286 HydrophobicContact CD1-CB 4.3Å; L212-A286 HydrophobicContact CD2-CB 4.2Å; C282-A286 WeakPolarHBondContact O-CB 3.22Å; C282-A286 PolarHBondContact O-N 3.41Å; Y283-A286 PolarHBondContact O-N 3.46Å
287T44.9Very low43.8Very low23 Ų23112.4 Ų112.414%0.14151%0.514CS..Hα-helixtrans-72.4-35.9173.753.70000113P211 L212 Y283 M284 K285 A289 L290 W291P211-T287 HydrophobicContact CG-CG2 4.37Å; L212-T287 HydrophobicContact CD1-CG2 4.02Å; Y283-T287 HydrophobicContact CD1-CG2 4.33Å; Y283-T287 HydrophobicContact CE1-CG2 3.88Å; Y283-T287 WeakPolarHBondContact O-CG2 3.41Å; Y283-T287 PolarHBondContact O-N 3.14Å; Y283-T287 PolarHBondContact O-OG1 3.48Å; M284-T287 VanDerWaalsContact CA-OG1 3.3Å; M284-T287 WeakPolarHBondContact CA-OG1 3.43Å; M284-T287 PolarHBondContact O-N 3.27Å; M284-T287 PolarHBondContact O-OG1 3.23Å; K285-T287 VanDerWaalsContact C-N 3.33Å; T287-A289 VanDerWaalsContact C-N 3.34Å; T287-A289 PolarHBondContact O-N 3.21Å; T287-L290 PolarHBondContact O-N 3.48Å; T287-W291 VanDerWaalsContact O-CD1 3.3Å
288Q43.3Very low43.7Very low136 Ų136106.5 Ų106.564%0.63650%0.498SS*.Hα-helixtrans-66.2-34.6176.6-92.3-179.5-35.600112.9M284 K285 L290 W291M284-Q288 WeakPolarHBondContact O-CB 3.35Å; M284-Q288 PolarHBondContact O-N 3.23Å; K285-Q288 PolarHBondContact O-N 3.24Å; Q288-L290 PolarHBondContact O-N 2.86Å; Q288-W291 PolarHBondContact O-N 2.91Å
289A42.7Very low43.6Very low71 Ų71107.1 Ų107.159%0.58750%0.503SS*.THydrogen-bonded Turntrans-71.9-14.817700000114.1K285 T287K285-A289 PolarHBondContact O-N 3Å; K285-A289 VanDerWaalsContact O-N 3.09Å; T287-A289 VanDerWaalsContact C-N 3.34Å; T287-A289 PolarHBondContact O-N 3.21Å
290L40.1Very low43.5Very low75 Ų75109.6 Ų109.639%0.39352%0.517SS..THydrogen-bonded Turntrans-95.2-7.1176.9-77.9164.4000113.2L212 T287 Q288L212-L290 HydrophobicContact CD2-CD1 3.6Å; L212-L290 HydrophobicContact CG-CD1 4.04Å; T287-L290 PolarHBondContact O-N 3.48Å; Q288-L290 PolarHBondContact O-N 2.86Å
291W38.3Very low43.2Very low219 Ų219107.4 Ų107.483%0.8352%0.517SS*.  trans-110.59.4179-80.683.8000113.3T287 Q288T287-W291 VanDerWaalsContact O-CD1 3.3Å; Q288-W291 PolarHBondContact O-N 2.91Å
292Q32.7Very low43Very low236 Ų236104.2 Ų104.2100%1.10351%0.507SS*.  trans-111.80165.8-72.3-169.5-24.700109.4

Retrieved 292 of 292 residues in 84.7 ms (Link to these results)

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