A0A5K4F849_SCHMA Loading...

Ribonuclease T(2) AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F849, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 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
1M62.8Low88.6Confident242 Ų242102.9 Ų102.9100%1.19253%0.529SS*.  0130.40-165.6175.2-82.400107.3
2F77.7Confident89.2Confident91 Ų9198.2 Ų98.240%0.39950%0.503SS..  trans-72.4144.8-178.1-61.6-79.2000110.9T7 F8 H11F2-T7 HydrophobicContact CD1-CG2 4.11Å; F2-F8 HydrophobicContact CB-CB 3.94Å; F2-F8 HydrophobicContact CD2-CB 3.86Å; F2-F8 AromaticContact CD2-CD2 3.36Å; F2-F8 HydrophobicContact CD2-CD2 3.36Å; F2-F8 HydrophobicContact CD2-CE2 4.25Å; F2-F8 AromaticContact CD2-CG 3.98Å; F2-F8 HydrophobicContact CD2-CG 3.98Å; F2-F8 AromaticContact CE2-CD2 3.39Å; F2-F8 HydrophobicContact CE2-CD2 3.39Å; F2-F8 AromaticContact CE2-CE2 3.99Å; F2-F8 HydrophobicContact CE2-CE2 3.99Å; F2-F8 HydrophobicContact CE2-CG 4.41Å; F2-F8 HydrophobicContact CG-CB 3.9Å; F2-F8 HydrophobicContact CG-CD2 4.2Å; F2-F8 HydrophobicContact CZ-CD2 4.23Å; F2-H11 HydrophobicContact CD1-CB 4.42Å; F2-H11 HydrophobicContact CE1-CB 3.61Å; F2-H11 AromaticContact CE1-CD2 3.93Å; F2-H11 AromaticContact CE1-CG 3.56Å; F2-H11 AromaticContact CE1-ND1 3.97Å; F2-H11 HydrophobicContact CZ-CB 3.87Å; F2-H11 AromaticContact CZ-CD2 3.37Å; F2-H11 WeakPolarHBondContact CZ-CD2 3.48Å; F2-H11 AromaticContact CZ-CG 3.52Å; F2-H11 AromaticContact CZ-NE2 3.88Å
3S82.4Confident89.8Confident104 Ų10493 Ų9373%0.72748%0.475SS*.SBendtrans-71.7-30.8-176.652.80000113.6
4T92.5Very high90.2Very high64 Ų6493.9 Ų93.939%0.39348%0.476SS..SBendtrans-143.1157.5-179.966.50000111S6 T7 F8T4-S6 PolarHBondContact O-N 3.48Å; T4-S6 PolarHBondContact OG1-OG 2.99Å; T4-T7 PolarHBondContact O-N 3.11Å; T4-T7 VanDerWaalsContact O-N 3.13Å; T4-T7 WeakPolarHBondContact OG1-CB 3.46Å; T4-T7 PolarHBondContact OG1-N 3.17Å; T4-T7 PolarHBondContact OG1-OG1 2.84Å; T4-F8 PolarHBondContact O-N 2.91Å
5L91.8Very high90.6Very high100 Ų10095.5 Ų95.552%0.52448%0.478SS..Hα-helixtrans-58.2-35.2171.4178.758.6000112.2F8 R9L5-F8 HydrophobicContact CD1-CD1 4.3Å; L5-F8 PolarHBondContact O-N 3.43Å; L5-R9 HydrophobicContact CD1-CG 4.25Å; L5-R9 WeakPolarHBondContact O-CB 3.37Å; L5-R9 VanDerWaalsContact O-CG 3.3Å; L5-R9 WeakPolarHBondContact O-CG 3.45Å; L5-R9 PolarHBondContact O-N 2.96Å
6S92.5Very high90.9Very high84 Ų8494.8 Ų94.859%0.58747%0.473SS*.Hα-helixtrans-65.5-41.5175.153.70000112.1T4 R9 K10T4-S6 PolarHBondContact O-N 3.48Å; T4-S6 PolarHBondContact OG1-OG 2.99Å; S6-R9 PolarHBondContact O-N 3.06Å; S6-K10 WeakPolarHBondContact O-CB 3.27Å; S6-K10 PolarHBondContact O-N 3.11Å
7T94.7Very high91.1Very high59 Ų5989.2 Ų89.236%0.36245%0.445SS..Hα-helixtrans-65.5-42177.1-55.40000111F2 T4 K10 H11F2-T7 HydrophobicContact CD1-CG2 4.11Å; T4-T7 PolarHBondContact O-N 3.11Å; T4-T7 VanDerWaalsContact O-N 3.13Å; T4-T7 WeakPolarHBondContact OG1-CB 3.46Å; T4-T7 PolarHBondContact OG1-N 3.17Å; T4-T7 PolarHBondContact OG1-OG1 2.84Å; T7-K10 PolarHBondContact O-N 2.94Å; T7-H11 PolarHBondContact O-N 3.04Å
8F95Very high91.4Very high84 Ų8489.3 Ų89.337%0.36845%0.447SS..Hα-helixtrans-60.6-52.4174.2173.9-125.8000111.7F2 T4 L5 K10 H11 E12F2-F8 HydrophobicContact CB-CB 3.94Å; F2-F8 HydrophobicContact CD2-CB 3.86Å; F2-F8 AromaticContact CD2-CD2 3.36Å; F2-F8 HydrophobicContact CD2-CD2 3.36Å; F2-F8 HydrophobicContact CD2-CE2 4.25Å; F2-F8 AromaticContact CD2-CG 3.98Å; F2-F8 HydrophobicContact CD2-CG 3.98Å; F2-F8 AromaticContact CE2-CD2 3.39Å; F2-F8 HydrophobicContact CE2-CD2 3.39Å; F2-F8 AromaticContact CE2-CE2 3.99Å; F2-F8 HydrophobicContact CE2-CE2 3.99Å; F2-F8 HydrophobicContact CE2-CG 4.41Å; F2-F8 HydrophobicContact CG-CB 3.9Å; F2-F8 HydrophobicContact CG-CD2 4.2Å; F2-F8 HydrophobicContact CZ-CD2 4.23Å; T4-F8 PolarHBondContact O-N 2.91Å; L5-F8 HydrophobicContact CD1-CD1 4.3Å; L5-F8 PolarHBondContact O-N 3.43Å; F8-K10 VanDerWaalsContact C-N 3.3Å; F8-K10 PolarHBondContact O-N 2.76Å; F8-H11 WeakPolarHBondContact O-CB 3.34Å; F8-H11 PolarHBondContact O-N 3.33Å; F8-H11 VanDerWaalsContact O-N 3.12Å; F8-E12 HydrophobicContact CD2-CG 3.88Å; F8-E12 HydrophobicContact CE1-CG 4.31Å; F8-E12 HydrophobicContact CE2-CG 3.45Å; F8-E12 VanDerWaalsContact CE2-CG 3.45Å; F8-E12 VanDerWaalsContact CE2-OE1 3.24Å; F8-E12 WeakPolarHBondContact CE2-OE1 3.11Å; F8-E12 HydrophobicContact CZ-CG 3.69Å; F8-E12 WeakPolarHBondContact O-CG 3.43Å; F8-E12 PolarHBondContact O-N 3.01Å
9R94.2Very high91.6Very high121 Ų12190.4 Ų90.446%0.45746%0.463SS..Hα-helixtrans-60.1-40.2178.7-72.5172.9178.1176.4-1.7112.1L5 S6 E12 F13 F33L5-R9 HydrophobicContact CD1-CG 4.25Å; L5-R9 WeakPolarHBondContact O-CB 3.37Å; L5-R9 VanDerWaalsContact O-CG 3.3Å; L5-R9 WeakPolarHBondContact O-CG 3.45Å; L5-R9 PolarHBondContact O-N 2.96Å; S6-R9 PolarHBondContact O-N 3.06Å; R9-E12 PolarHBondContact O-N 2.99Å; R9-F13 PolarHBondContact O-N 3.07Å; R9-F33 HydrophobicContact CB-CE1 4.22Å; R9-F33 HydrophobicContact CB-CE2 4.45Å; R9-F33 HydrophobicContact CB-CZ 3.8Å; R9-F33 HydrophobicContact CG-CE1 4.08Å; R9-F33 HydrophobicContact CG-CZ 4.16Å; R9-F33 WeakPolarHBondContact O-CZ 3.14Å
10K95.2Very high91.6Very high120 Ų12087.6 Ų87.652%0.52245%0.453SS..Hα-helixtrans-58.6-49.4174.5-177.1-179.7176.8-178.70110.8S6 T7 F8 E12 F13 E14S6-K10 WeakPolarHBondContact O-CB 3.27Å; S6-K10 PolarHBondContact O-N 3.11Å; T7-K10 PolarHBondContact O-N 2.94Å; F8-K10 VanDerWaalsContact C-N 3.3Å; F8-K10 PolarHBondContact O-N 2.76Å; K10-E12 PolarHBondContact O-N 2.84Å; K10-F13 PolarHBondContact O-N 3.14Å; K10-E14 WeakPolarHBondContact CE-OE1 3.48Å; K10-E14 VanDerWaalsContact CE-OE2 3.3Å; K10-E14 WeakPolarHBondContact CE-OE2 3.37Å; K10-E14 HydrophobicContact CG-CG 4.28Å; K10-E14 IonicContact NZ-OE1 3.49Å; K10-E14 WeakPolarHBondContact O-CB 3.45Å; K10-E14 WeakPolarHBondContact O-CG 3.37Å; K10-E14 PolarHBondContact O-N 2.69Å
11H96.1Very high91.6Very high63 Ų6386.7 Ų86.729%0.29245%0.452SS..Hα-helixtrans-56.7-49.7176.9-179.780.7000112.3F2 T7 F8 F13 E14 K15F2-H11 HydrophobicContact CD1-CB 4.42Å; F2-H11 HydrophobicContact CE1-CB 3.61Å; F2-H11 AromaticContact CE1-CD2 3.93Å; F2-H11 AromaticContact CE1-CG 3.56Å; F2-H11 AromaticContact CE1-ND1 3.97Å; F2-H11 HydrophobicContact CZ-CB 3.87Å; F2-H11 AromaticContact CZ-CD2 3.37Å; F2-H11 WeakPolarHBondContact CZ-CD2 3.48Å; F2-H11 AromaticContact CZ-CG 3.52Å; F2-H11 AromaticContact CZ-NE2 3.88Å; T7-H11 PolarHBondContact O-N 3.04Å; F8-H11 WeakPolarHBondContact O-CB 3.34Å; F8-H11 PolarHBondContact O-N 3.33Å; F8-H11 VanDerWaalsContact O-N 3.12Å; H11-F13 VanDerWaalsContact C-N 3.33Å; H11-F13 PolarHBondContact O-N 3.33Å; H11-E14 PolarHBondContact O-N 3.37Å; H11-K15 VanDerWaalsContact NE2-CD 3.34Å; H11-K15 WeakPolarHBondContact NE2-CD 3.39Å; H11-K15 WeakPolarHBondContact O-CB 3.41Å; H11-K15 PolarHBondContact O-N 3Å
12E95.9Very high93Very high46 Ų4683.3 Ų83.322%0.21543%0.433CS..Hα-helixtrans-60.4-42.6-179.7-68.3-55126.300112F8 R9 K10 H16 G17F8-E12 HydrophobicContact CD2-CG 3.88Å; F8-E12 HydrophobicContact CE1-CG 4.31Å; F8-E12 HydrophobicContact CE2-CG 3.45Å; F8-E12 VanDerWaalsContact CE2-CG 3.45Å; F8-E12 VanDerWaalsContact CE2-OE1 3.24Å; F8-E12 WeakPolarHBondContact CE2-OE1 3.11Å; F8-E12 HydrophobicContact CZ-CG 3.69Å; F8-E12 WeakPolarHBondContact O-CG 3.43Å; F8-E12 PolarHBondContact O-N 3.01Å; R9-E12 PolarHBondContact O-N 2.99Å; K10-E12 PolarHBondContact O-N 2.84Å; E12-H16 WeakPolarHBondContact O-CA 3.32Å; E12-H16 VanDerWaalsContact O-CB 3.31Å; E12-H16 WeakPolarHBondContact O-CB 3.48Å; E12-H16 PolarHBondContact O-N 2.88Å; E12-H16 IonicContact OE2-CD2 3.3Å; E12-H16 PolarHBondContact OE2-CD2 3.07Å; E12-G17 PolarHBondContact O-N 3.46Å
13F96.1Very high93.8Very high31 Ų3180.4 Ų80.414%0.13642%0.422CS..Hα-helixtrans-70.6-47.5179.3-175.6-109.2000112.4R9 K10 H11 K15 G17 L18 Q29 Y32 F33R9-F13 PolarHBondContact O-N 3.07Å; K10-F13 PolarHBondContact O-N 3.14Å; H11-F13 VanDerWaalsContact C-N 3.33Å; H11-F13 PolarHBondContact O-N 3.33Å; F13-K15 PolarHBondContact O-N 2.95Å; F13-G17 CarbonylContact O-C 3.4Å; F13-G17 VanDerWaalsContact O-CA 3.29Å; F13-G17 WeakPolarHBondContact O-CA 3.01Å; F13-G17 PolarHBondContact O-N 3.31Å; F13-L18 HydrophobicContact CE1-CD2 3.72Å; F13-L18 HydrophobicContact CE1-CG 4.27Å; F13-L18 HydrophobicContact CZ-CD2 3.84Å; F13-L18 PolarHBondContact O-N 2.94Å; F13-Q29 HydrophobicContact CD1-CB 4.34Å; F13-Q29 HydrophobicContact CD1-CG 4.19Å; F13-Q29 HydrophobicContact CD2-CB 4.16Å; F13-Q29 HydrophobicContact CD2-CG 4.1Å; F13-Q29 HydrophobicContact CE1-CB 4.07Å; F13-Q29 HydrophobicContact CE1-CG 4.42Å; F13-Q29 HydrophobicContact CE2-CB 3.91Å; F13-Q29 HydrophobicContact CE2-CG 4.36Å; F13-Q29 HydrophobicContact CG-CB 4.38Å; F13-Q29 HydrophobicContact CG-CG 4.02Å; F13-Q29 HydrophobicContact CZ-CB 3.85Å; F13-Y32 AromaticContact CD2-CD1 3.93Å; F13-Y32 HydrophobicContact CD2-CD1 3.93Å; F13-Y32 HydrophobicContact CD2-CG 4.13Å; F13-F33 HydrophobicContact CB-CE2 4.05Å; F13-F33 HydrophobicContact CB-CZ 4.1Å
14E96.3Very high94.4Very high106 Ų10680.6 Ų80.650%0.49542%0.42SS..Hα-helixtrans-66.6-37.3-178.2-71.7179.8164.800112.4K10 H11K10-E14 WeakPolarHBondContact CE-OE1 3.48Å; K10-E14 VanDerWaalsContact CE-OE2 3.3Å; K10-E14 WeakPolarHBondContact CE-OE2 3.37Å; K10-E14 HydrophobicContact CG-CG 4.28Å; K10-E14 IonicContact NZ-OE1 3.49Å; K10-E14 WeakPolarHBondContact O-CB 3.45Å; K10-E14 WeakPolarHBondContact O-CG 3.37Å; K10-E14 PolarHBondContact O-N 2.69Å; H11-E14 PolarHBondContact O-N 3.37Å
15K95.8Very high94.4Very high117 Ų11783 Ų8351%0.50943%0.427SS..Hα-helixtrans-85-33.9-177.3-172.1179172.3-167.90113.7H11 F13H11-K15 VanDerWaalsContact NE2-CD 3.34Å; H11-K15 WeakPolarHBondContact NE2-CD 3.39Å; H11-K15 WeakPolarHBondContact O-CB 3.41Å; H11-K15 PolarHBondContact O-N 3Å; F13-K15 PolarHBondContact O-N 2.95Å
16H95.3Very high94.5Very high85 Ų8578.7 Ų78.739%0.39441%0.405SS..THydrogen-bonded Turntrans-121.3-46-171.5-59.6-57.2000112.6E12 L18 C19E12-H16 WeakPolarHBondContact O-CA 3.32Å; E12-H16 VanDerWaalsContact O-CB 3.31Å; E12-H16 WeakPolarHBondContact O-CB 3.48Å; E12-H16 PolarHBondContact O-N 2.88Å; E12-H16 IonicContact OE2-CD2 3.3Å; E12-H16 PolarHBondContact OE2-CD2 3.07Å; H16-L18 PolarHBondContact O-N 3.36Å; H16-C19 PolarHBondContact O-N 3.43Å
17G94.9Very high94.5Very high0 Ų080.1 Ų80.10%040%0.401CS..G310 helixtrans-62.6-40.7-177.600000114.3E12 F13 C19 A20 Y32E12-G17 PolarHBondContact O-N 3.46Å; F13-G17 CarbonylContact O-C 3.4Å; F13-G17 VanDerWaalsContact O-CA 3.29Å; F13-G17 WeakPolarHBondContact O-CA 3.01Å; F13-G17 PolarHBondContact O-N 3.31Å; G17-C19 PolarHBondContact O-N 2.92Å; G17-C19 VanDerWaalsContact O-N 3.14Å; G17-A20 PolarHBondContact O-N 3.32Å; G17-Y32 VanDerWaalsContact CA-CE2 3.47Å
18L95.5Very high94.5Very high90 Ų9079.9 Ų79.947%0.47140%0.397SS..G310 helixtrans-61.7-21.8179.9-71.6-179.1000114.1F13 H16 A20 V21F13-L18 HydrophobicContact CE1-CD2 3.72Å; F13-L18 HydrophobicContact CE1-CG 4.27Å; F13-L18 HydrophobicContact CZ-CD2 3.84Å; F13-L18 PolarHBondContact O-N 2.94Å; H16-L18 PolarHBondContact O-N 3.36Å; L18-A20 VanDerWaalsContact C-N 3.3Å; L18-V21 HydrophobicContact CD2-CG1 4.46Å; L18-V21 WeakPolarHBondContact O-CG1 3.36Å; L18-V21 WeakPolarHBondContact O-CG2 3.24Å
19C95.1Very high94.6Very high111 Ų11180.9 Ų80.975%0.7540%0.403SS*.G310 helixtrans-79.7-12176.5-62.10000113.6H16 G17H16-C19 PolarHBondContact O-N 3.43Å; G17-C19 PolarHBondContact O-N 2.92Å; G17-C19 VanDerWaalsContact O-N 3.14Å
20A92.7Very high94.7Very high33 Ų3383 Ų8327%0.27341%0.412SS..G310 helixtrans-105.813.2-177.200000112.6G17 L18 E22 D23 V26G17-A20 PolarHBondContact O-N 3.32Å; L18-A20 VanDerWaalsContact C-N 3.3Å; A20-E22 PolarHBondContact O-N 2.83Å; A20-E22 VanDerWaalsContact O-N 3.11Å; A20-D23 WeakPolarHBondContact O-CB 3.04Å; A20-D23 PolarHBondContact O-N 3.21Å; A20-V26 HydrophobicContact CB-CG2 3.7Å
21V91.3Very high94.7Very high70 Ų7077.6 Ų77.642%0.42439%0.391SS..THydrogen-bonded Turntrans-65.2-17.9-172.6-660000114.3L18 D23 F27L18-V21 HydrophobicContact CD2-CG1 4.46Å; L18-V21 WeakPolarHBondContact O-CG1 3.36Å; L18-V21 WeakPolarHBondContact O-CG2 3.24Å; V21-D23 VanDerWaalsContact C-N 3.26Å; V21-D23 PolarHBondContact O-N 3.44Å; V21-F27 WeakPolarHBondContact O-CB 3.11Å
22E92.9Very high94.8Very high170 Ų17077.1 Ų77.179%0.79439%0.387SS*.THydrogen-bonded Turntrans-71.9-18.6174-62.2-178.8168.100113A20 P24A20-E22 PolarHBondContact O-N 2.83Å; A20-E22 VanDerWaalsContact O-N 3.11Å; E22-P24 WeakPolarHBondContact O-CD 3.3Å
23D94.5Very high94.8Very high31 Ų3177.4 Ų77.417%0.16639%0.387CS..SBendtrans-84.8120.6179.4-174.7-58.8000111.2A20 V21 Q25 V26 F27 H106A20-D23 WeakPolarHBondContact O-CB 3.04Å; A20-D23 PolarHBondContact O-N 3.21Å; V21-D23 VanDerWaalsContact C-N 3.26Å; V21-D23 PolarHBondContact O-N 3.44Å; D23-Q25 PolarHBondContact O-N 3.48Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.33Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.46Å; D23-Q25 PolarHBondContact OD1-N 3.02Å; D23-V26 HydrophobicContact CB-CG2 3.63Å; D23-V26 CarbonylContact O-C 3.57Å; D23-V26 PolarHBondContact O-N 2.95Å; D23-V26 VanDerWaalsContact O-N 3.07Å; D23-F27 WeakPolarHBondContact O-CA 3.14Å; D23-F27 WeakPolarHBondContact O-CB 3.29Å; D23-F27 PolarHBondContact O-N 2.91Å; D23-H106 VanDerWaalsContact CG-CE1 3.41Å; D23-H106 IonicContact OD1-CE1 2.74Å; D23-H106 PolarHBondContact OD1-CE1 2.97Å; D23-H106 IonicContact OD1-NE2 2.75Å; D23-H106 IonicContact OD2-CE1 3.06Å; D23-H106 PolarHBondContact OD2-CE1 3.17Å; D23-H106 IonicContact OD2-ND1 3.11Å; D23-H106 IonicContact OD2-NE2 3.49Å; D23-H106 PolarHBondContact OD2-NE2 3Å; D23-H106 VanDerWaalsContact OD2-NE2 3.11Å
24P93.6Very high94.9Very high107 Ų10780.5 Ų80.570%0.69540%0.401SS*.THydrogen-bonded Turntrans-61.6-15.5-177.1-24.534.6000116.2E22 F27E22-P24 WeakPolarHBondContact O-CD 3.3Å; P24-F27 WeakPolarHBondContact O-CD1 3.23Å; P24-F27 WeakPolarHBondContact O-CE1 3.34Å
25Q92.1Very high94.9Very high116 Ų11677.3 Ų77.354%0.54239%0.385SS..THydrogen-bonded Turntrans-89.3-26.6176.7-60-174.161.800112.4D23 G31 H106D23-Q25 PolarHBondContact O-N 3.48Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.33Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.46Å; D23-Q25 PolarHBondContact OD1-N 3.02Å; Q25-G31 CarbonylContact O-C 3.46Å; Q25-G31 VanDerWaalsContact O-CA 3.23Å; Q25-G31 WeakPolarHBondContact O-CA 3.49Å; Q25-H106 PolarHBondContact NE2-ND1 3.24Å
26V94Very high94.9Very high8 Ų873.4 Ų73.45%0.04838%0.378CS..THydrogen-bonded Turntrans-12315.1-176.5-59.70000113.9A20 D23 N28 F35A20-V26 HydrophobicContact CB-CG2 3.7Å; D23-V26 HydrophobicContact CB-CG2 3.63Å; D23-V26 CarbonylContact O-C 3.57Å; D23-V26 PolarHBondContact O-N 2.95Å; D23-V26 VanDerWaalsContact O-N 3.07Å; V26-N28 PolarHBondContact O-N 3.29Å; V26-F35 HydrophobicContact CG1-CB 3.42Å; V26-F35 VanDerWaalsContact CG1-CB 3.42Å; V26-F35 HydrophobicContact CG1-CD1 3.93Å; V26-F35 HydrophobicContact CG1-CD2 4.27Å; V26-F35 HydrophobicContact CG1-CG 3.61Å
27F94.2Very high95Very high115 Ų11573.5 Ų73.550%0.50438%0.381SS..SBendtrans-57.7-15.5-176.273.5-80.1000116.1V21 D23 P24V21-F27 WeakPolarHBondContact O-CB 3.11Å; D23-F27 WeakPolarHBondContact O-CA 3.14Å; D23-F27 WeakPolarHBondContact O-CB 3.29Å; D23-F27 PolarHBondContact O-N 2.91Å; P24-F27 WeakPolarHBondContact O-CD1 3.23Å; P24-F27 WeakPolarHBondContact O-CE1 3.34Å
28N95Very high95.1Very high54 Ų5478.3 Ų78.329%0.28940%0.403SS..SBendtrans-140.3172.8178.368.144000111.2V26 Y30 G31 Y32V26-N28 PolarHBondContact O-N 3.29Å; N28-Y30 VanDerWaalsContact C-N 3.31Å; N28-Y30 PolarHBondContact O-N 3.45Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.31Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.49Å; N28-Y30 PolarHBondContact OD1-N 2.91Å; N28-G31 PolarHBondContact O-N 3.43Å; N28-G31 PolarHBondContact OD1-N 2.84Å; N28-Y32 WeakPolarHBondContact O-CB 3.43Å; N28-Y32 PolarHBondContact O-N 2.89Å
29Q95.4Very high95.1Very high105 Ų10576 Ų7649%0.49139%0.391SS..Hα-helixtrans-55.3-43.6-178.1-168.2-176.915.400113F13 F33F13-Q29 HydrophobicContact CD1-CB 4.34Å; F13-Q29 HydrophobicContact CD1-CG 4.19Å; F13-Q29 HydrophobicContact CD2-CB 4.16Å; F13-Q29 HydrophobicContact CD2-CG 4.1Å; F13-Q29 HydrophobicContact CE1-CB 4.07Å; F13-Q29 HydrophobicContact CE1-CG 4.42Å; F13-Q29 HydrophobicContact CE2-CB 3.91Å; F13-Q29 HydrophobicContact CE2-CG 4.36Å; F13-Q29 HydrophobicContact CG-CB 4.38Å; F13-Q29 HydrophobicContact CG-CG 4.02Å; F13-Q29 HydrophobicContact CZ-CB 3.85Å; Q29-F33 HydrophobicContact CG-CD2 3.82Å; Q29-F33 HydrophobicContact CG-CE2 3.66Å; Q29-F33 WeakPolarHBondContact O-CD2 2.81Å; Q29-F33 PolarHBondContact O-N 2.04Å
30Y96.4Very high95.2Very high164 Ų16476.6 Ų76.664%0.64339%0.385SS*.Hα-helixtrans-64.3-47.4179.4174.1-95.5000111.5N28 K34N28-Y30 VanDerWaalsContact C-N 3.31Å; N28-Y30 PolarHBondContact O-N 3.45Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.31Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.49Å; N28-Y30 PolarHBondContact OD1-N 2.91Å; Y30-K34 HydrophobicContact CE1-CD 3.73Å; Y30-K34 WeakPolarHBondContact O-CB 3.45Å; Y30-K34 PolarHBondContact O-N 3.43Å
31G96.5Very high95.3Very high7 Ų781 Ų817%0.07240%0.4CS..Hα-helixtrans-59.2-49177.200000112.2Q25 N28 F33 K34 F35Q25-G31 CarbonylContact O-C 3.46Å; Q25-G31 VanDerWaalsContact O-CA 3.23Å; Q25-G31 WeakPolarHBondContact O-CA 3.49Å; N28-G31 PolarHBondContact O-N 3.43Å; N28-G31 PolarHBondContact OD1-N 2.84Å; G31-F33 PolarHBondContact O-N 3.5Å; G31-K34 PolarHBondContact O-N 2.87Å; G31-F35 VanDerWaalsContact O-CB 3.27Å; G31-F35 WeakPolarHBondContact O-CB 3.34Å; G31-F35 PolarHBondContact O-N 3.07Å
32Y97Very high95.5Very high53 Ų5385.8 Ų85.821%0.20841%0.414CS..Hα-helixtrans-54.1-53178.2177.9-102.6000112.7F13 G17 N28 G36F13-Y32 AromaticContact CD2-CD1 3.93Å; F13-Y32 HydrophobicContact CD2-CD1 3.93Å; F13-Y32 HydrophobicContact CD2-CG 4.13Å; G17-Y32 VanDerWaalsContact CA-CE2 3.47Å; N28-Y32 WeakPolarHBondContact O-CB 3.43Å; N28-Y32 PolarHBondContact O-N 2.89Å; Y32-G36 PolarHBondContact O-N 3.27Å; Y32-G36 VanDerWaalsContact O-N 3.07Å
33F97.3Very high95.6Very high52 Ų5279 Ų7923%0.22838%0.383CS..Hα-helixtrans-71.3-38.2-179.8-73.8-64.5000112.8R9 F13 Q29 G31 G36 I37R9-F33 HydrophobicContact CB-CE1 4.22Å; R9-F33 HydrophobicContact CB-CE2 4.45Å; R9-F33 HydrophobicContact CB-CZ 3.8Å; R9-F33 HydrophobicContact CG-CE1 4.08Å; R9-F33 HydrophobicContact CG-CZ 4.16Å; R9-F33 WeakPolarHBondContact O-CZ 3.14Å; F13-F33 HydrophobicContact CB-CE2 4.05Å; F13-F33 HydrophobicContact CB-CZ 4.1Å; Q29-F33 HydrophobicContact CG-CD2 3.82Å; Q29-F33 HydrophobicContact CG-CE2 3.66Å; Q29-F33 WeakPolarHBondContact O-CD2 2.81Å; Q29-F33 PolarHBondContact O-N 2.04Å; G31-F33 PolarHBondContact O-N 3.5Å; F33-G36 PolarHBondContact O-N 2.85Å; F33-I37 WeakPolarHBondContact O-CB 3.42Å; F33-I37 WeakPolarHBondContact O-CD1 3.3Å; F33-I37 VanDerWaalsContact O-CG1 3.27Å; F33-I37 WeakPolarHBondContact O-CG1 3.42Å; F33-I37 PolarHBondContact O-N 2.99Å
34K97.3Very high95.6Very high96 Ų9681.2 Ų81.242%0.41740%0.395SS..Hα-helixtrans-59.5-48.8176.1178.1179.4176.4-178.70110.8Y30 G31 I37 Q38Y30-K34 HydrophobicContact CE1-CD 3.73Å; Y30-K34 WeakPolarHBondContact O-CB 3.45Å; Y30-K34 PolarHBondContact O-N 3.43Å; G31-K34 PolarHBondContact O-N 2.87Å; K34-I37 PolarHBondContact O-N 3.06Å; K34-Q38 WeakPolarHBondContact O-CB 3.26Å; K34-Q38 VanDerWaalsContact O-CG 3.29Å; K34-Q38 WeakPolarHBondContact O-CG 3.02Å; K34-Q38 PolarHBondContact O-N 2.75Å
35F96.5Very high95.7Very high40 Ų4078 Ų7818%0.17537%0.372CS..Hα-helixtrans-59.3-50.2177.8179.2-92.7000111.4V26 G31 I37 Q38 L39 L102 H106V26-F35 HydrophobicContact CG1-CB 3.42Å; V26-F35 VanDerWaalsContact CG1-CB 3.42Å; V26-F35 HydrophobicContact CG1-CD1 3.93Å; V26-F35 HydrophobicContact CG1-CD2 4.27Å; V26-F35 HydrophobicContact CG1-CG 3.61Å; G31-F35 VanDerWaalsContact O-CB 3.27Å; G31-F35 WeakPolarHBondContact O-CB 3.34Å; G31-F35 PolarHBondContact O-N 3.07Å; F35-I37 PolarHBondContact O-N 3.43Å; F35-Q38 PolarHBondContact O-N 2.86Å; F35-L39 HydrophobicContact CE1-CD2 4.13Å; F35-L39 WeakPolarHBondContact O-CB 3.29Å; F35-L39 PolarHBondContact O-N 3.37Å; F35-L102 HydrophobicContact CE1-CD1 4.12Å; F35-L102 HydrophobicContact CZ-CD1 3.92Å; F35-H106 HydrophobicContact CE2-CB 3.96Å; F35-H106 AromaticContact CE2-CD2 3.75Å; F35-H106 AromaticContact CE2-CE1 3.77Å; F35-H106 AromaticContact CE2-CG 3.49Å; F35-H106 VanDerWaalsContact CE2-CG 3.49Å; F35-H106 AromaticContact CE2-ND1 3.51Å; F35-H106 AromaticContact CE2-NE2 3.89Å; F35-H106 HydrophobicContact CZ-CB 3.84Å; F35-H106 AromaticContact CZ-CD2 3.33Å; F35-H106 WeakPolarHBondContact CZ-CD2 3.41Å; F35-H106 AromaticContact CZ-CG 3.45Å; F35-H106 VanDerWaalsContact CZ-CG 3.45Å; F35-H106 AromaticContact CZ-ND1 3.93Å; F35-H106 AromaticContact CZ-NE2 3.74Å
36G96.1Very high95.9Very high35 Ų3575.7 Ų75.736%0.36136%0.363SS..Hα-helixtrans-58.8-42.7179.500000113.4Y32 F33 L39 M40Y32-G36 PolarHBondContact O-N 3.27Å; Y32-G36 VanDerWaalsContact O-N 3.07Å; F33-G36 PolarHBondContact O-N 2.85Å; G36-L39 PolarHBondContact O-N 3.43Å; G36-M40 WeakPolarHBondContact O-CB 3.43Å; G36-M40 PolarHBondContact O-N 2.91Å
37I97Very high96Very high86 Ų8682.1 Ų82.144%0.44139%0.39SS..Hα-helixtrans-66.8-45.1177.6-68.2166.1000111.2F33 K34 F35 L39 M40 Q41F33-I37 WeakPolarHBondContact O-CB 3.42Å; F33-I37 WeakPolarHBondContact O-CD1 3.3Å; F33-I37 VanDerWaalsContact O-CG1 3.27Å; F33-I37 WeakPolarHBondContact O-CG1 3.42Å; F33-I37 PolarHBondContact O-N 2.99Å; K34-I37 PolarHBondContact O-N 3.06Å; F35-I37 PolarHBondContact O-N 3.43Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 2.74Å; I37-M40 PolarHBondContact O-N 3.18Å; I37-Q41 WeakPolarHBondContact O-CG 3.27Å; I37-Q41 PolarHBondContact O-N 3.49Å
38Q97.1Very high96.1Very high101 Ų10177.4 Ų77.447%0.47237%0.371SS..Hα-helixtrans-62.6-41177.8-74179.4-36.500111.5K34 F35 Q41 K42K34-Q38 WeakPolarHBondContact O-CB 3.26Å; K34-Q38 VanDerWaalsContact O-CG 3.29Å; K34-Q38 WeakPolarHBondContact O-CG 3.02Å; K34-Q38 PolarHBondContact O-N 2.75Å; F35-Q38 PolarHBondContact O-N 2.86Å; Q38-Q41 PolarHBondContact O-N 3.41Å; Q38-K42 WeakPolarHBondContact O-CB 3.15Å; Q38-K42 PolarHBondContact O-N 2.99Å
39L96Very high96.2Very high42 Ų4275 Ų7522%0.2236%0.358CS..Hα-helixtrans-62.3-47.9175.4-177.964.8000111.2F35 G36 I37 Q41 K42 L43 L102F35-L39 HydrophobicContact CE1-CD2 4.13Å; F35-L39 WeakPolarHBondContact O-CB 3.29Å; F35-L39 PolarHBondContact O-N 3.37Å; G36-L39 PolarHBondContact O-N 3.43Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 2.74Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 PolarHBondContact O-N 3.32Å; L39-K42 PolarHBondContact O-N 2.94Å; L39-L43 HydrophobicContact CD1-CD1 4.25Å; L39-L43 HydrophobicContact CD1-CG 4.19Å; L39-L43 HydrophobicContact CG-CD1 3.92Å; L39-L43 HydrophobicContact CG-CG 4.3Å; L39-L43 WeakPolarHBondContact O-CB 3.5Å; L39-L43 VanDerWaalsContact O-CG 3.25Å; L39-L43 WeakPolarHBondContact O-CG 3.27Å; L39-L43 PolarHBondContact O-N 3.47Å; L39-L102 HydrophobicContact CD1-CD1 4.12Å; L39-L102 HydrophobicContact CD2-CD1 3.57Å; L39-L102 HydrophobicContact CG-CD1 4.5Å
40M95.7Very high96.3Very high124 Ų12474.9 Ų74.961%0.61136%0.359SS*.Hα-helixtrans-55.9-45.5176.5-178.4-161.469.700111.8G36 I37 N44G36-M40 WeakPolarHBondContact O-CB 3.43Å; G36-M40 PolarHBondContact O-N 2.91Å; I37-M40 PolarHBondContact O-N 3.18Å; M40-N44 PolarHBondContact O-N 3.12Å; M40-N44 VanDerWaalsContact O-N 3.11Å
41Q96.4Very high96.3Very high126 Ų12673.6 Ų73.659%0.58936%0.357SS*.Hα-helixtrans-64-43.7177.8-72.3174.9-13.200112.2I37 Q38 L39 N44I37-Q41 WeakPolarHBondContact O-CG 3.27Å; I37-Q41 PolarHBondContact O-N 3.49Å; Q38-Q41 PolarHBondContact O-N 3.41Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 PolarHBondContact O-N 3.32Å; Q41-N44 PolarHBondContact O-N 2.99Å
42K94.8Very high96.3Very high169 Ų16975.7 Ų75.774%0.73536%0.363SS*.Hα-helixtrans-64.6-42.8178.3-177.7179.7176.7-175.70112.1Q38 L39 N44Q38-K42 WeakPolarHBondContact O-CB 3.15Å; Q38-K42 PolarHBondContact O-N 2.99Å; L39-K42 PolarHBondContact O-N 2.94Å; K42-N44 VanDerWaalsContact C-N 3.34Å
43L94.7Very high96.3Very high27 Ų2783.2 Ų83.214%0.14139%0.391CS..Hα-helixtrans-63.8-39.7178.5-73.4173.6000112.2L39 L45 T48 F75 V100 F108L39-L43 HydrophobicContact CD1-CD1 4.25Å; L39-L43 HydrophobicContact CD1-CG 4.19Å; L39-L43 HydrophobicContact CG-CD1 3.92Å; L39-L43 HydrophobicContact CG-CG 4.3Å; L39-L43 WeakPolarHBondContact O-CB 3.5Å; L39-L43 VanDerWaalsContact O-CG 3.25Å; L39-L43 WeakPolarHBondContact O-CG 3.27Å; L39-L43 PolarHBondContact O-N 3.47Å; L43-L45 PolarHBondContact O-N 3.41Å; L43-L45 VanDerWaalsContact O-N 3.11Å; L43-T48 PolarHBondContact O-OG1 3.47Å; L43-F75 HydrophobicContact CD2-CD1 3.93Å; L43-F75 HydrophobicContact CD2-CE1 3.32Å; L43-F75 HydrophobicContact CD2-CZ 3.73Å; L43-V100 HydrophobicContact CD2-CG1 4.39Å; L43-F108 HydrophobicContact CD2-CE1 3.62Å; L43-F108 HydrophobicContact CD2-CZ 3.53Å
44N94.8Very high96.3Very high78 Ų7880.7 Ų80.742%0.41738%0.38SS..  trans45.244-177.5-158.3-10.5000112.8M40 Q41 K42 L46 K47 T48M40-N44 PolarHBondContact O-N 3.12Å; M40-N44 VanDerWaalsContact O-N 3.11Å; Q41-N44 PolarHBondContact O-N 2.99Å; K42-N44 VanDerWaalsContact C-N 3.34Å; N44-L46 VanDerWaalsContact C-N 3.32Å; N44-L46 PolarHBondContact O-N 2.89Å; N44-K47 WeakPolarHBondContact ND2-CD 3.17Å; N44-K47 WeakPolarHBondContact O-CB 3.48Å; N44-K47 PolarHBondContact O-N 3.33Å; N44-K47 WeakPolarHBondContact OD1-CB 3.35Å; N44-T48 PolarHBondContact O-N 3.45Å; N44-T48 PolarHBondContact O-OG1 2.93Å
45L95.9Very high96.3Very high41 Ų4177.7 Ų77.722%0.21537%0.371CS..Hα-helixtrans-56.4-42.6-161.3-178.361.9000113.1L43 K47 T48 L49 L71 F75 V98L43-L45 PolarHBondContact O-N 3.41Å; L43-L45 VanDerWaalsContact O-N 3.11Å; L45-K47 PolarHBondContact O-N 3.38Å; L45-T48 WeakPolarHBondContact O-CB 3.37Å; L45-T48 PolarHBondContact O-N 2.95Å; L45-L49 HydrophobicContact CD1-CG 4.27Å; L45-L49 HydrophobicContact CG-CD1 4.29Å; L45-L49 HydrophobicContact CG-CG 4.4Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 3.35Å; L45-L71 HydrophobicContact CD1-CD2 3.86Å; L45-F75 HydrophobicContact CD1-CE2 4.04Å; L45-F75 HydrophobicContact CD1-CZ 4.09Å; L45-V98 HydrophobicContact CD1-CG1 4.49Å; L45-V98 HydrophobicContact CD2-CB 3.82Å; L45-V98 HydrophobicContact CD2-CG1 3.79Å
46L95.8Very high96.3Very high66 Ų6677 Ų7735%0.34637%0.37SS..Hα-helixtrans-60.2-45.5178.6179.460.5000111.9N44 T48 L49 M50 P56 F123 F126N44-L46 VanDerWaalsContact C-N 3.32Å; N44-L46 PolarHBondContact O-N 2.89Å; L46-T48 VanDerWaalsContact C-N 3.3Å; L46-T48 PolarHBondContact O-N 3.43Å; L46-L49 PolarHBondContact O-N 3.16Å; L46-M50 HydrophobicContact CD1-CG 4.33Å; L46-M50 HydrophobicContact CD1-SD 4.19Å; L46-M50 HydrophobicContact CG-SD 3.99Å; L46-M50 WeakPolarHBondContact O-CB 3.24Å; L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.43Å; L46-M50 PolarHBondContact O-N 3.39Å; L46-P56 HydrophobicContact CD1-CG 4.25Å; L46-F123 HydrophobicContact CD1-CE1 4.07Å; L46-F123 HydrophobicContact CD1-CZ 3.98Å; L46-F126 HydrophobicContact CD1-CE2 4.49Å; L46-F126 HydrophobicContact CD1-CZ 4.16Å; L46-F126 HydrophobicContact CD2-CE2 3.87Å; L46-F126 HydrophobicContact CD2-CZ 3.87Å
47K96.5Very high96.2Very high143 Ų14378.1 Ų78.162%0.62237%0.366SS*.Hα-helixtrans-63.9-39.9177.8-171.9-180-178.3179.10111N44 L45 M50 K51N44-K47 WeakPolarHBondContact ND2-CD 3.17Å; N44-K47 WeakPolarHBondContact O-CB 3.48Å; N44-K47 PolarHBondContact O-N 3.33Å; N44-K47 WeakPolarHBondContact OD1-CB 3.35Å; L45-K47 PolarHBondContact O-N 3.38Å; K47-M50 PolarHBondContact O-N 3.04Å; K47-K51 PolarHBondContact O-N 3.41Å
48T95.8Very high95.6Very high16 Ų1679.5 Ų79.510%0.09837%0.374CS..Hα-helixtrans-59.9-50174.5-58.10000110.8L43 N44 L45 L46 M50 K51 Y52 E74L43-T48 PolarHBondContact O-OG1 3.47Å; N44-T48 PolarHBondContact O-N 3.45Å; N44-T48 PolarHBondContact O-OG1 2.93Å; L45-T48 WeakPolarHBondContact O-CB 3.37Å; L45-T48 PolarHBondContact O-N 2.95Å; L46-T48 VanDerWaalsContact C-N 3.3Å; L46-T48 PolarHBondContact O-N 3.43Å; T48-M50 VanDerWaalsContact C-N 3.33Å; T48-M50 PolarHBondContact O-N 3.47Å; T48-K51 WeakPolarHBondContact O-CB 3.33Å; T48-K51 PolarHBondContact O-N 2.93Å; T48-Y52 VanDerWaalsContact O-CD2 3.3Å; T48-Y52 WeakPolarHBondContact O-CD2 3.23Å; T48-Y52 PolarHBondContact O-N 3.1Å; T48-E74 HydrophobicContact CG2-CB 3.84Å; T48-E74 HydrophobicContact CG2-CG 3.47Å; T48-E74 VanDerWaalsContact CG2-CG 3.47Å
49L97.1Very high95.2Very high5 Ų579 Ų793%0.02638%0.382CS..Hα-helixtrans-60.1-42.6176.8-66.5-179.9000112.1L45 L46 K51 Y52 R53 I54 L67 V70L45-L49 HydrophobicContact CD1-CG 4.27Å; L45-L49 HydrophobicContact CG-CD1 4.29Å; L45-L49 HydrophobicContact CG-CG 4.4Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 3.35Å; L46-L49 PolarHBondContact O-N 3.16Å; L49-K51 PolarHBondContact O-N 2.93Å; L49-Y52 CarbonylContact O-C 3.51Å; L49-Y52 WeakPolarHBondContact O-CA 3.21Å; L49-Y52 PolarHBondContact O-N 3.36Å; L49-R53 PolarHBondContact O-N 3.01Å; L49-I54 CarbonylContact C-O 3.56Å; L49-I54 HydrophobicContact CB-CB 4.14Å; L49-I54 HydrophobicContact CB-CG2 4.37Å; L49-I54 WeakPolarHBondContact CB-O 3.42Å; L49-I54 HydrophobicContact CD2-CD1 4.46Å; L49-I54 PolarHBondContact O-N 3.21Å; L49-L67 HydrophobicContact CD1-CD1 4.38Å; L49-L67 HydrophobicContact CD2-CD1 3.37Å; L49-V70 HydrophobicContact CD2-CG1 4.06Å
50M96.8Very high95Very high102 Ų10282.1 Ų82.150%0.50239%0.391SS..Hα-helixtrans-64.3-36.2178.2-71.3174.168.100112.8L46 K47 T48 Y52 R53 I54L46-M50 HydrophobicContact CD1-CG 4.33Å; L46-M50 HydrophobicContact CD1-SD 4.19Å; L46-M50 HydrophobicContact CG-SD 3.99Å; L46-M50 WeakPolarHBondContact O-CB 3.24Å; L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.43Å; L46-M50 PolarHBondContact O-N 3.39Å; K47-M50 PolarHBondContact O-N 3.04Å; T48-M50 VanDerWaalsContact C-N 3.33Å; T48-M50 PolarHBondContact O-N 3.47Å; M50-Y52 PolarHBondContact O-N 3.42Å; M50-R53 PolarHBondContact O-N 2.87Å; M50-I54 PolarHBondContact N-O 2.95Å
51K97.1Very high95Very high137 Ų13781 Ų8160%0.59638%0.384SS*.Hα-helixtrans-56-32.7172174.2-170.1170.8-164.80111.6K47 T48 L49 E74K47-K51 PolarHBondContact O-N 3.41Å; T48-K51 WeakPolarHBondContact O-CB 3.33Å; T48-K51 PolarHBondContact O-N 2.93Å; L49-K51 PolarHBondContact O-N 2.93Å; K51-E74 IonicContact NZ-OE1 2.77Å; K51-E74 PolarHBondContact NZ-OE1 3.28Å; K51-E74 IonicContact NZ-OE2 3.62Å
52Y97.2Very high95Very high51 Ų5175.7 Ų75.720%0.236%0.358CS..THydrogen-bonded Turntrans-96.520.8175.5-68-82.3000114T48 L49 M50 I54 V70 R73 E74T48-Y52 VanDerWaalsContact O-CD2 3.3Å; T48-Y52 WeakPolarHBondContact O-CD2 3.23Å; T48-Y52 PolarHBondContact O-N 3.1Å; L49-Y52 CarbonylContact O-C 3.51Å; L49-Y52 WeakPolarHBondContact O-CA 3.21Å; L49-Y52 PolarHBondContact O-N 3.36Å; M50-Y52 PolarHBondContact O-N 3.42Å; Y52-I54 PolarHBondContact O-N 3.26Å; Y52-V70 VanDerWaalsContact CB-CG2 3.48Å; Y52-V70 HydrophobicContact CD1-CG2 3.94Å; Y52-V70 HydrophobicContact CD2-CB 4.38Å; Y52-V70 HydrophobicContact CD2-CG1 3.48Å; Y52-V70 VanDerWaalsContact CD2-CG1 3.48Å; Y52-V70 HydrophobicContact CD2-CG2 4.07Å; Y52-V70 HydrophobicContact CE2-CG1 4.11Å; Y52-V70 HydrophobicContact CG-CB 4.35Å; Y52-V70 HydrophobicContact CG-CG1 3.86Å; Y52-V70 HydrophobicContact CG-CG2 3.55Å; Y52-R73 WeakPolarHBondContact OH-CD 3.5Å; Y52-E74 HydrophobicContact CD2-CG 4.45Å; Y52-E74 HydrophobicContact CE2-CG 3.54Å; Y52-E74 WeakPolarHBondContact CE2-OE1 3.3Å; Y52-E74 PolarHBondContact OH-OE1 2.77Å
53R96.8Very high95.1Very high210 Ų21071 Ų7179%0.79234%0.342SS*.THydrogen-bonded Turntrans62.520.6177.4-51.2178.7177.9176.4-1.1114.2L49 M50 Y62L49-R53 PolarHBondContact O-N 3.01Å; M50-R53 PolarHBondContact O-N 2.87Å; R53-Y62 WeakPolarHBondContact O-CE1 3.38Å
54I97.1Very high95.3Very high0 Ų070.9 Ų70.90%034%0.342CS..  trans-96.494.8167.9-56.8174.5000107.4L49 M50 Y52 Y62 L67 V70 F123L49-I54 CarbonylContact C-O 3.56Å; L49-I54 HydrophobicContact CB-CB 4.14Å; L49-I54 HydrophobicContact CB-CG2 4.37Å; L49-I54 WeakPolarHBondContact CB-O 3.42Å; L49-I54 HydrophobicContact CD2-CD1 4.46Å; L49-I54 PolarHBondContact O-N 3.21Å; M50-I54 PolarHBondContact N-O 2.95Å; Y52-I54 PolarHBondContact O-N 3.26Å; I54-Y62 HydrophobicContact CB-CD1 4.4Å; I54-Y62 HydrophobicContact CB-CE1 4.3Å; I54-Y62 HydrophobicContact CG1-CD1 4.07Å; I54-Y62 HydrophobicContact CG1-CE1 4.31Å; I54-Y62 HydrophobicContact CG2-CD1 4.22Å; I54-Y62 HydrophobicContact CG2-CD2 4.37Å; I54-Y62 HydrophobicContact CG2-CE1 4.3Å; I54-Y62 HydrophobicContact CG2-CE2 4.43Å; I54-Y62 HydrophobicContact CG2-CG 4.25Å; I54-L67 HydrophobicContact CD1-CB 4.28Å; I54-L67 HydrophobicContact CD1-CD1 4.17Å; I54-V70 HydrophobicContact CD1-CG2 4.16Å; I54-F123 HydrophobicContact CG2-CD1 4.27Å
55S96.5Very high95.4Very high33 Ų3372.9 Ų72.923%0.23135%0.351CS..  trans-123.4154.6-177.963.40000111.8H57 Y62S55-H57 PolarHBondContact O-N 3.37Å; S55-Y62 PolarHBondContact N-OH 2.96Å; S55-Y62 WeakPolarHBondContact O-CE2 3.19Å; S55-Y62 PolarHBondContact O-OH 3.24Å
56P96.7Very high95.4Very high24 Ų2474.3 Ų74.316%0.15636%0.359CS..  trans-54.8129.8171.7-21.730.7000111.5L46 F123 Q125 F126L46-P56 HydrophobicContact CD1-CG 4.25Å; P56-F123 CarbonylContact C-O 3.58Å; P56-F123 VanDerWaalsContact CA-O 3.32Å; P56-F123 WeakPolarHBondContact CA-O 3.49Å; P56-F123 HydrophobicContact CB-CE1 4.5Å; P56-F123 HydrophobicContact CG-CD1 4.29Å; P56-F123 HydrophobicContact CG-CE1 3.73Å; P56-F123 HydrophobicContact CG-CE2 4.31Å; P56-F123 HydrophobicContact CG-CZ 3.75Å; P56-Q125 HydrophobicContact CB-CG 4.26Å; P56-F126 HydrophobicContact CB-CE2 4.38Å; P56-F126 HydrophobicContact CG-CD2 4.24Å; P56-F126 HydrophobicContact CG-CE2 3.54Å; P56-F126 HydrophobicContact CG-CZ 3.89Å
57H94.2Very high95.5Very high60 Ų6071.2 Ų71.228%0.27834%0.343SS..  trans-159.7138.5-175.6-168.4-55000111.3S55 S59 R60 F123S55-H57 PolarHBondContact O-N 3.37Å; H57-S59 PolarHBondContact CE1-OG 3.26Å; H57-S59 PolarHBondContact ND1-N 3.4Å; H57-S59 PolarHBondContact O-N 3.02Å; H57-R60 HydrophobicContact CB-CB 3.86Å; H57-R60 PolarHBondContact ND1-N 3.22Å; H57-F123 PolarHBondContact N-O 3.23Å; H57-F123 VanDerWaalsContact O-O 3.07Å
58D85.8Confident95.6Very high114 Ų11466.1 Ų66.161%0.6132%0.322SS*.SBendtrans-68.4-35.2-170.7-62.8-28.4000115.5Q125D58-Q125 WeakPolarHBondContact OD1-CG 3.45Å
59S86.7Confident95.7Very high90 Ų9069.4 Ų69.463%0.62934%0.339SS*.SBendtrans-120.8-13.9-175.557.50000115.4H57H57-S59 PolarHBondContact CE1-OG 3.26Å; H57-S59 PolarHBondContact ND1-N 3.4Å; H57-S59 PolarHBondContact O-N 3.02Å
60R93.4Very high95.7Very high109 Ų10969.3 Ų69.341%0.41134%0.339SS..  trans-70.5138.3-175.9-171.3179-68.3173.5-0.4110.8H57 Y62 N122H57-R60 HydrophobicContact CB-CB 3.86Å; H57-R60 PolarHBondContact ND1-N 3.22Å; R60-Y62 HydrophobicContact CB-CE2 4.5Å; R60-Y62 WeakPolarHBondContact CD-OH 3.32Å; R60-Y62 HydrophobicContact CG-CE1 4.21Å; R60-Y62 HydrophobicContact CG-CE2 4.36Å; R60-N122 PolarHBondContact O-ND2 3.32Å
61Q94.9Very high95.7Very high101 Ų10164.5 Ų64.547%0.47232%0.315SS..EExtended strand (participates in β ladder)trans-103.1144169.7-67.7-173.8-35.800110.6K120 F121Q61-K120 HydrophobicContact CB-CB 4.4Å; Q61-K120 HydrophobicContact CB-CD 4.48Å; Q61-F121 CarbonylContact C-O 3.49Å; Q61-F121 VanDerWaalsContact CA-O 3.26Å; Q61-F121 WeakPolarHBondContact CA-O 3.39Å
62Y97.2Very high95.7Very high13 Ų1362.9 Ų62.95%0.05131%0.309CS..EExtended strand (participates in β ladder)trans-119.9141.9176.8-62.5-75.7000109.5R53 I54 S55 R60 K120 F121 F123R53-Y62 WeakPolarHBondContact O-CE1 3.38Å; I54-Y62 HydrophobicContact CB-CD1 4.4Å; I54-Y62 HydrophobicContact CB-CE1 4.3Å; I54-Y62 HydrophobicContact CG1-CD1 4.07Å; I54-Y62 HydrophobicContact CG1-CE1 4.31Å; I54-Y62 HydrophobicContact CG2-CD1 4.22Å; I54-Y62 HydrophobicContact CG2-CD2 4.37Å; I54-Y62 HydrophobicContact CG2-CE1 4.3Å; I54-Y62 HydrophobicContact CG2-CE2 4.43Å; I54-Y62 HydrophobicContact CG2-CG 4.25Å; S55-Y62 PolarHBondContact N-OH 2.96Å; S55-Y62 WeakPolarHBondContact O-CE2 3.19Å; S55-Y62 PolarHBondContact O-OH 3.24Å; R60-Y62 HydrophobicContact CB-CE2 4.5Å; R60-Y62 WeakPolarHBondContact CD-OH 3.32Å; R60-Y62 HydrophobicContact CG-CE1 4.21Å; R60-Y62 HydrophobicContact CG-CE2 4.36Å; Y62-K120 CarbonylContact O-C 3.54Å; Y62-K120 VanDerWaalsContact O-CA 3.26Å; Y62-K120 WeakPolarHBondContact O-CA 3.46Å; Y62-F121 HydrophobicContact CD2-CE2 4.14Å; Y62-F121 HydrophobicContact CG-CE2 4.44Å; Y62-F121 HydrophobicContact CG-CZ 4.41Å; Y62-F121 PolarHBondContact N-O 2.78Å; Y62-F121 WeakPolarHBondContact O-CD1 3.34Å; Y62-F121 PolarHBondContact O-N 3.34Å; Y62-F123 HydrophobicContact CD2-CB 4.04Å; Y62-F123 HydrophobicContact CE2-CB 3.87Å
63D97.2Very high95.7Very high72 Ų7269.3 Ų69.339%0.38533%0.333SS..EExtended strand (participates in β ladder)trans-76129.9173-63.7-61.3000110.2I65 N66 L67 V119 K120D63-I65 PolarHBondContact O-N 3.34Å; D63-N66 HydrophobicContact CB-CB 4.22Å; D63-N66 WeakPolarHBondContact O-CB 3.22Å; D63-N66 PolarHBondContact O-N 3.48Å; D63-L67 PolarHBondContact O-N 2.87Å; D63-V119 WeakPolarHBondContact CA-O 3.32Å; D63-K120 WeakPolarHBondContact OD1-CE 3.23Å; D63-K120 VanDerWaalsContact OD1-CG 3.26Å; D63-K120 WeakPolarHBondContact OD1-CG 3.5Å
64T97.3Very high95.7Very high23 Ų2362.2 Ų62.214%0.14131%0.309CS..Hα-helixtrans-58.5-36.6177.2-65.50000111.6N66 L67 M68 C117 P118 V119 F121T64-N66 VanDerWaalsContact C-N 3.29Å; T64-N66 PolarHBondContact O-N 3.01Å; T64-L67 WeakPolarHBondContact O-CB 3.25Å; T64-L67 PolarHBondContact O-N 3.39Å; T64-M68 HydrophobicContact CG2-CG 4.33Å; T64-M68 WeakPolarHBondContact O-CG 3.14Å; T64-M68 PolarHBondContact O-N 2.96Å; T64-C117 HydrophobicContact CG2-CB 4.06Å; T64-P118 WeakPolarHBondContact CB-O 3.45Å; T64-P118 PolarHBondContact OG1-O 2.76Å; T64-V119 PolarHBondContact N-O 3.31Å; T64-F121 WeakPolarHBondContact OG1-CD1 3.42Å
65I97.1Very high95.6Very high120 Ų12063.4 Ų63.462%0.61531%0.314SS*.Hα-helixtrans-59.8-40.8175-64.5171.2000110.9D63 M68 N69D63-I65 PolarHBondContact O-N 3.34Å; I65-M68 PolarHBondContact O-N 3.49Å; I65-N69 WeakPolarHBondContact O-CB 3.39Å; I65-N69 PolarHBondContact O-N 3.49Å; I65-N69 PolarHBondContact O-ND2 2.8Å; I65-N69 PolarHBondContact O-OD1 2.52Å
66N97.3Very high95.6Very high72 Ų7264.3 Ų64.339%0.38533%0.329SS..Hα-helixtrans-65.6-42177.5-171.632.2000111.4D63 T64 N69 V70D63-N66 HydrophobicContact CB-CB 4.22Å; D63-N66 WeakPolarHBondContact O-CB 3.22Å; D63-N66 PolarHBondContact O-N 3.48Å; T64-N66 VanDerWaalsContact C-N 3.29Å; T64-N66 PolarHBondContact O-N 3.01Å; N66-N69 PolarHBondContact O-N 3.33Å; N66-V70 VanDerWaalsContact O-CG2 3.31Å; N66-V70 WeakPolarHBondContact O-CG2 3.46Å; N66-V70 PolarHBondContact O-N 3.44Å
67L97.9Very high95.6Very high0 Ų068 Ų680%034%0.341CS..Hα-helixtrans-59.2-47.6173.2176.962.8000111.4L49 I54 D63 T64 N69 V70 L71 A81 L95 V98 F121L49-L67 HydrophobicContact CD1-CD1 4.38Å; L49-L67 HydrophobicContact CD2-CD1 3.37Å; I54-L67 HydrophobicContact CD1-CB 4.28Å; I54-L67 HydrophobicContact CD1-CD1 4.17Å; D63-L67 PolarHBondContact O-N 2.87Å; T64-L67 WeakPolarHBondContact O-CB 3.25Å; T64-L67 PolarHBondContact O-N 3.39Å; L67-N69 PolarHBondContact O-N 2.76Å; L67-V70 WeakPolarHBondContact O-CB 3.43Å; L67-V70 PolarHBondContact O-N 3.38Å; L67-L71 HydrophobicContact CD1-CG 4.5Å; L67-L71 HydrophobicContact CG-CD1 4.41Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 3Å; L67-L71 VanDerWaalsContact O-N 3.1Å; L67-A81 HydrophobicContact CD2-CB 3.64Å; L67-L95 HydrophobicContact CD2-CD1 4.07Å; L67-L95 HydrophobicContact CD2-CD2 4.36Å; L67-V98 HydrophobicContact CD2-CG2 4.29Å; L67-F121 HydrophobicContact CB-CE1 4.11Å; L67-F121 HydrophobicContact CB-CZ 4.12Å; L67-F121 HydrophobicContact CD2-CE1 3.98Å; L67-F121 HydrophobicContact CD2-CZ 3.74Å; L67-F121 HydrophobicContact CG-CZ 4.45Å
68M97.4Very high95.7Very high37 Ų3767.4 Ų67.418%0.18234%0.339CS..Hα-helixtrans-61.4-44.1179.6-65.4-57.1100.300111.9T64 I65 V70 L71 E72 A81T64-M68 HydrophobicContact CG2-CG 4.33Å; T64-M68 WeakPolarHBondContact O-CG 3.14Å; T64-M68 PolarHBondContact O-N 2.96Å; I65-M68 PolarHBondContact O-N 3.49Å; M68-V70 VanDerWaalsContact C-N 3.28Å; M68-V70 PolarHBondContact O-N 3.44Å; M68-L71 HydrophobicContact CE-CD1 3.8Å; M68-L71 PolarHBondContact O-N 2.94Å; M68-L71 VanDerWaalsContact O-N 3.16Å; M68-L71 HydrophobicContact SD-CD1 4.5Å; M68-E72 PolarHBondContact O-N 2.99Å; M68-A81 HydrophobicContact CE-CB 3.52Å
69N97.5Very high96.3Very high84 Ų8462 Ų6245%0.44931%0.311SS..Hα-helixtrans-61.4-36.1176.8-68.9-10.3000112.3I65 N66 L67 R73I65-N69 WeakPolarHBondContact O-CB 3.39Å; I65-N69 PolarHBondContact O-N 3.49Å; I65-N69 PolarHBondContact O-ND2 2.8Å; I65-N69 PolarHBondContact O-OD1 2.52Å; N66-N69 PolarHBondContact O-N 3.33Å; L67-N69 PolarHBondContact O-N 2.76Å; N69-R73 WeakPolarHBondContact O-CB 3.38Å; N69-R73 PolarHBondContact O-N 3.03Å
70V97.4Very high96.8Very high4 Ų457.8 Ų57.82%0.02428%0.282CS..Hα-helixtrans-65.3-44.4175168.40000111.1L49 Y52 I54 N66 L67 M68 R73 E74L49-V70 HydrophobicContact CD2-CG1 4.06Å; Y52-V70 VanDerWaalsContact CB-CG2 3.48Å; Y52-V70 HydrophobicContact CD1-CG2 3.94Å; Y52-V70 HydrophobicContact CD2-CB 4.38Å; Y52-V70 HydrophobicContact CD2-CG1 3.48Å; Y52-V70 VanDerWaalsContact CD2-CG1 3.48Å; Y52-V70 HydrophobicContact CD2-CG2 4.07Å; Y52-V70 HydrophobicContact CE2-CG1 4.11Å; Y52-V70 HydrophobicContact CG-CB 4.35Å; Y52-V70 HydrophobicContact CG-CG1 3.86Å; Y52-V70 HydrophobicContact CG-CG2 3.55Å; I54-V70 HydrophobicContact CD1-CG2 4.16Å; N66-V70 VanDerWaalsContact O-CG2 3.31Å; N66-V70 WeakPolarHBondContact O-CG2 3.46Å; N66-V70 PolarHBondContact O-N 3.44Å; L67-V70 WeakPolarHBondContact O-CB 3.43Å; L67-V70 PolarHBondContact O-N 3.38Å; M68-V70 VanDerWaalsContact C-N 3.28Å; M68-V70 PolarHBondContact O-N 3.44Å; V70-R73 PolarHBondContact O-N 3.05Å; V70-E74 WeakPolarHBondContact O-CB 3.37Å; V70-E74 WeakPolarHBondContact O-CG 3.3Å; V70-E74 PolarHBondContact O-N 2.77Å
71L97.1Very high97Very high1 Ų152.8 Ų52.81%0.00526%0.263CS..Hα-helixtrans-63.3-45.5177.9-60.7175000111.1L45 L67 M68 R73 E74 F75 V98L45-L71 HydrophobicContact CD1-CD2 3.86Å; L67-L71 HydrophobicContact CD1-CG 4.5Å; L67-L71 HydrophobicContact CG-CD1 4.41Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 3Å; L67-L71 VanDerWaalsContact O-N 3.1Å; M68-L71 HydrophobicContact CE-CD1 3.8Å; M68-L71 PolarHBondContact O-N 2.94Å; M68-L71 VanDerWaalsContact O-N 3.16Å; M68-L71 HydrophobicContact SD-CD1 4.5Å; L71-R73 PolarHBondContact O-N 3.21Å; L71-E74 PolarHBondContact O-N 2.89Å; L71-F75 HydrophobicContact CB-CD2 4.31Å; L71-F75 HydrophobicContact CD2-CD2 4.23Å; L71-F75 HydrophobicContact CD2-CE2 3.75Å; L71-F75 WeakPolarHBondContact O-CB 3.41Å; L71-F75 VanDerWaalsContact O-CD2 3.3Å; L71-F75 WeakPolarHBondContact O-CD2 3.43Å; L71-F75 PolarHBondContact O-N 3.33Å; L71-V98 HydrophobicContact CD1-CG1 3.71Å; L71-V98 HydrophobicContact CD2-CG1 3.87Å; L71-V98 HydrophobicContact CG-CG1 4.46Å
72E97.4Very high97.1Very high103 Ų10349 Ų4948%0.48125%0.247SC..Hα-helixtrans-61.9-42.3177-171.3174.1-171.600112.3M68 G76 Y77M68-E72 PolarHBondContact O-N 2.99Å; E72-G76 CarbonylContact O-C 3.59Å; E72-G76 WeakPolarHBondContact O-CA 3.06Å; E72-G76 PolarHBondContact O-N 2.91Å; E72-Y77 VanDerWaalsContact CA-O 3.23Å; E72-Y77 WeakPolarHBondContact CA-O 3.31Å
73R97.3Very high97.1Very high185 Ų18548.6 Ų48.670%0.69825%0.245SC*.Hα-helixtrans-65.9-39.2178.5-175175.8-128.4-157.96113.5Y52 N69 V70 L71Y52-R73 WeakPolarHBondContact OH-CD 3.5Å; N69-R73 WeakPolarHBondContact O-CB 3.38Å; N69-R73 PolarHBondContact O-N 3.03Å; V70-R73 PolarHBondContact O-N 3.05Å; L71-R73 PolarHBondContact O-N 3.21Å
74E96Very high97Very high62 Ų6248.7 Ų48.729%0.2925%0.245SC..Hα-helixtrans-87.6-29.5-174.2-70.1-78.5143.300113T48 K51 Y52 V70 L71T48-E74 HydrophobicContact CG2-CB 3.84Å; T48-E74 HydrophobicContact CG2-CG 3.47Å; T48-E74 VanDerWaalsContact CG2-CG 3.47Å; K51-E74 IonicContact NZ-OE1 2.77Å; K51-E74 PolarHBondContact NZ-OE1 3.28Å; K51-E74 IonicContact NZ-OE2 3.62Å; Y52-E74 HydrophobicContact CD2-CG 4.45Å; Y52-E74 HydrophobicContact CE2-CG 3.54Å; Y52-E74 WeakPolarHBondContact CE2-OE1 3.3Å; Y52-E74 PolarHBondContact OH-OE1 2.77Å; V70-E74 WeakPolarHBondContact O-CB 3.37Å; V70-E74 WeakPolarHBondContact O-CG 3.3Å; V70-E74 PolarHBondContact O-N 2.77Å; L71-E74 PolarHBondContact O-N 2.89Å
75F94.6Very high96.7Very high24 Ų2455.9 Ų55.911%0.10527%0.269CS..Hα-helixtrans-108.9-9.6-178.3-54.5-55.9000113.9L43 L45 L71 Y77 V100 F108L43-F75 HydrophobicContact CD2-CD1 3.93Å; L43-F75 HydrophobicContact CD2-CE1 3.32Å; L43-F75 HydrophobicContact CD2-CZ 3.73Å; L45-F75 HydrophobicContact CD1-CE2 4.04Å; L45-F75 HydrophobicContact CD1-CZ 4.09Å; L71-F75 HydrophobicContact CB-CD2 4.31Å; L71-F75 HydrophobicContact CD2-CD2 4.23Å; L71-F75 HydrophobicContact CD2-CE2 3.75Å; L71-F75 WeakPolarHBondContact O-CB 3.41Å; L71-F75 VanDerWaalsContact O-CD2 3.3Å; L71-F75 WeakPolarHBondContact O-CD2 3.43Å; L71-F75 PolarHBondContact O-N 3.33Å; F75-Y77 WeakPolarHBondContact O-CD2 3.3Å; F75-Y77 PolarHBondContact O-N 3.2Å; F75-V100 HydrophobicContact CD2-CG1 4.2Å; F75-V100 HydrophobicContact CD2-CG2 3.83Å; F75-V100 HydrophobicContact CE2-CG2 3.65Å; F75-V100 HydrophobicContact CG-CG1 4.21Å; F75-V100 HydrophobicContact CZ-CG2 4.28Å; F75-F108 HydrophobicContact CB-CD2 4.42Å; F75-F108 HydrophobicContact CB-CG 4.33Å; F75-F108 HydrophobicContact CD1-CE1 4.25Å; F75-F108 HydrophobicContact CD1-CE2 4.07Å; F75-F108 AromaticContact CD1-CZ 3.9Å; F75-F108 HydrophobicContact CD1-CZ 3.9Å; F75-F108 HydrophobicContact CE1-CZ 4.44Å
76G96.9Very high96.1Very high53 Ų5353.5 Ų53.555%0.54626%0.255SS..SBendtrans78.91.1-178.200000114.5E72E72-G76 CarbonylContact O-C 3.59Å; E72-G76 WeakPolarHBondContact O-CA 3.06Å; E72-G76 PolarHBondContact O-N 2.91Å
77Y97.6Very high95.3Very high101 Ų10155.6 Ų55.640%0.39627%0.272SS..SBendtrans-145.1156.4-175.7-62.2-83.8000110.8E72 F75 F108E72-Y77 VanDerWaalsContact CA-O 3.23Å; E72-Y77 WeakPolarHBondContact CA-O 3.31Å; F75-Y77 WeakPolarHBondContact O-CD2 3.3Å; F75-Y77 PolarHBondContact O-N 3.2Å; Y77-F108 VanDerWaalsContact CD2-C 3.49Å; Y77-F108 HydrophobicContact CD2-CB 3.46Å; Y77-F108 VanDerWaalsContact CD2-CB 3.46Å; Y77-F108 WeakPolarHBondContact CD2-O 3.38Å; Y77-F108 VanDerWaalsContact CE2-C 3.5Å; Y77-F108 HydrophobicContact CE2-CB 3.79Å; Y77-F108 WeakPolarHBondContact CE2-O 3.5Å; Y77-F108 HydrophobicContact CG-CB 4.5Å; Y77-F108 VanDerWaalsContact CZ-O 3.31Å
78N96.9Very high94.5Very high47 Ų4759.9 Ų59.925%0.25132%0.316SS..  trans-60.5151.6177.176.90.8000111.8N110 C111N78-N110 PolarHBondContact N-OD1 3.39Å; N78-N110 VanDerWaalsContact OD1-C 3.3Å; N78-N110 WeakPolarHBondContact OD1-CA 3.26Å; N78-N110 WeakPolarHBondContact OD1-CB 3.48Å; N78-N110 PolarHBondContact OD1-OD1 2.91Å; N78-C111 PolarHBondContact OD1-N 3.36Å; N78-C111 PolarHBondContact OD1-O 3.17Å
79G96.8Very high93.5Very high1 Ų164.8 Ų64.81%0.0133%0.333CS..  trans-110.1-172.4168.900000111.6R99G79-R99 WeakPolarHBondContact CA-O 3.37Å
80S97.4Very high92.5Very high2 Ų273.2 Ų73.21%0.01436%0.358CS..EExtended strand (participates in β ladder)trans-139.2145.3175.4176.80000109.7V98 R99 F113 G115S80-V98 CarbonylContact O-C 3.43Å; S80-V98 WeakPolarHBondContact O-CA 3.33Å; S80-R99 PolarHBondContact N-O 3.24Å; S80-R99 PolarHBondContact O-N 3.39Å; S80-F113 VanDerWaalsContact CB-O 3.26Å; S80-F113 WeakPolarHBondContact CB-O 3.26Å; S80-F113 PolarHBondContact OG-O 3.39Å; S80-G115 PolarHBondContact OG-N 3.45Å
81A97.8Very high91.6Very high3 Ų375.5 Ų75.53%0.02538%0.383CS..EExtended strand (participates in β ladder)trans-137.3127.9-177.400000111.3L67 M68 L95 E97 G115 N116 C117L67-A81 HydrophobicContact CD2-CB 3.64Å; M68-A81 HydrophobicContact CE-CB 3.52Å; A81-L95 HydrophobicContact CB-CD1 3.97Å; A81-E97 CarbonylContact C-O 3.13Å; A81-E97 VanDerWaalsContact CA-O 3.32Å; A81-E97 WeakPolarHBondContact CA-O 3.39Å; A81-G115 CarbonylContact O-C 3.53Å; A81-G115 WeakPolarHBondContact O-CA 3.47Å; A81-N116 PolarHBondContact O-N 3.04Å; A81-C117 PolarHBondContact O-N 3.01Å; A81-C117 PolarHBondContact O-SG 3.18Å; A81-C117 VanDerWaalsContact O-SG 3.36Å
82N97.2Very high91.2Very high23 Ų2376.9 Ų76.912%0.12339%0.39CS..EExtended strand (participates in β ladder)trans-105.9139.5175.1-63.8-46000110.8E96 E97 R99 G115 N116N82-E96 PolarHBondContact O-N 3.13Å; N82-E97 HydrophobicContact CB-CB 4.16Å; N82-E97 PolarHBondContact N-O 3.11Å; N82-E97 PolarHBondContact ND2-OE2 2.04Å; N82-E97 PolarHBondContact O-N 2.57Å; N82-E97 VanDerWaalsContact O-N 3.15Å; N82-R99 PolarHBondContact ND2-NH2 3.31Å; N82-G115 WeakPolarHBondContact OD1-CA 3.29Å; N82-N116 VanDerWaalsContact CA-OD1 3.22Å; N82-N116 WeakPolarHBondContact CA-OD1 3.27Å; N82-N116 PolarHBondContact OD1-N 3.5Å
83C96.8Very high91.1Very high3 Ų375.5 Ų75.52%0.0238%0.38CS..EExtended strand (participates in β ladder)trans-124.5144.8177.5-700000110.7Y93 H94 N116 C117 F121C83-Y93 HydrophobicContact CB-CD1 4.49Å; C83-H94 CarbonylContact C-O 3.6Å; C83-H94 WeakPolarHBondContact CA-O 3.33Å; C83-H94 WeakPolarHBondContact CB-O 3.13Å; C83-N116 PolarHBondContact N-OD1 3.34Å; C83-N116 PolarHBondContact O-ND2 2.93Å; C83-N116 PolarHBondContact O-OD1 2.6Å; C83-C117 HydrophobicContact CB-CB 3.96Å; C83-C117 WeakPolarHBondContact CB-SG 3.4Å; C83-C117 PolarHBondContact N-SG 3.01Å; C83-C117 WeakPolarHBondContact SG-CB 3.38Å; C83-C117 CovalentContact SG-SG 2.04Å; C83-C117 PolarHBondContact SG-SG 2.97Å; C83-F121 VanDerWaalsContact SG-CB 3.51Å
84I94.5Very high90.9Very high74 Ų7468.3 Ų68.338%0.37936%0.355SS..EExtended strand (participates in β ladder)trans-104.2139.2172.555174.2000110.6K86 Y93 H94 E96I84-K86 PolarHBondContact O-N 3.44Å; I84-Y93 CarbonylContact O-C 3.52Å; I84-Y93 VanDerWaalsContact O-CA 3.29Å; I84-Y93 WeakPolarHBondContact O-CA 3.15Å; I84-H94 HydrophobicContact CG1-CB 4.11Å; I84-H94 PolarHBondContact N-O 3.05Å; I84-H94 PolarHBondContact O-N 3.23Å; I84-E96 HydrophobicContact CG1-CB 4.26Å; I84-E96 HydrophobicContact CG2-CB 4.05Å; I84-E96 HydrophobicContact CG2-CG 4.22Å; I84-E96 WeakPolarHBondContact CG2-OE1 3.07Å; I84-E96 WeakPolarHBondContact CG2-OE2 3.37Å
85R92.6Very high90.9Very high174 Ų17466.3 Ų66.366%0.65735%0.346SS*.EExtended strand (participates in β ladder)trans-72.2128.6172.5-172.517867.4176.11109.3P87 Y93R85-P87 WeakPolarHBondContact O-CD 3.35Å; R85-Y93 HydrophobicContact CB-CD1 4.05Å; R85-Y93 HydrophobicContact CB-CE1 3.77Å; R85-Y93 HydrophobicContact CG-CE1 4.21Å
86K84.1Confident90.9Very high70 Ų7071.2 Ų71.230%0.30437%0.369SS..PPolyproline II helixtrans-72.1123.5175.4177.7143.8156.8-170.60110.5I84 G88 R89 M92 H94I84-K86 PolarHBondContact O-N 3.44Å; K86-G88 PolarHBondContact O-N 3.46Å; K86-R89 HydrophobicContact CG-CB 4.48Å; K86-R89 PolarHBondContact O-N 3.11Å; K86-M92 HydrophobicContact CB-CE 4Å; K86-M92 HydrophobicContact CD-CE 3.38Å; K86-M92 HydrophobicContact CG-CE 3.98Å; K86-M92 PolarHBondContact N-O 3.21Å; K86-H94 VanDerWaalsContact CD-CE1 3.44Å; K86-H94 WeakPolarHBondContact CD-CE1 3.33Å; K86-H94 WeakPolarHBondContact CD-NE2 3.39Å
87P80.5Confident90.9Very high117 Ų11772 Ų7276%0.7636%0.358SS*.THydrogen-bonded Turntrans-55.7138.2172.2-24.234.5000111R85 R89R85-P87 WeakPolarHBondContact O-CD 3.35Å; P87-R89 VanDerWaalsContact C-N 3.28Å; P87-R89 PolarHBondContact O-N 3.15Å
88G80.1Confident90.9Very high89 Ų8968.7 Ų68.792%0.91835%0.349SS*.THydrogen-bonded Turntrans77.6-3.8176.100000116.6K86K86-G88 PolarHBondContact O-N 3.46Å
89R77.7Confident90.9Very high141 Ų14171.8 Ų71.853%0.53236%0.357SS..SBendtrans-126.798.1174.9-65.8-167.5-180-175.30111.1K86 P87 G91 M92K86-R89 HydrophobicContact CG-CB 4.48Å; K86-R89 PolarHBondContact O-N 3.11Å; P87-R89 VanDerWaalsContact C-N 3.28Å; P87-R89 PolarHBondContact O-N 3.15Å; R89-G91 PolarHBondContact O-N 2.88Å; R89-M92 HydrophobicContact CB-CB 3.94Å; R89-M92 HydrophobicContact CB-CE 4.2Å; R89-M92 HydrophobicContact CB-SD 4.35Å; R89-M92 VanDerWaalsContact CD-CE 3.47Å; R89-M92 HydrophobicContact CG-CE 4.4Å; R89-M92 PolarHBondContact O-N 3.33Å
90R76.5Confident90.9Very high260 Ų26073.6 Ų73.698%0.98137%0.367SS*.THydrogen-bonded Turntrans-58.6132-178.4-164.8177.9-169171.13.4110.3M92R90-M92 VanDerWaalsContact C-N 3.26Å; R90-M92 PolarHBondContact O-N 3.13Å
91G78.8Confident90.8Very high52 Ų5274.9 Ų74.954%0.53638%0.376SS..THydrogen-bonded Turntrans77.81.1177.700000115.4R89R89-G91 PolarHBondContact O-N 2.88Å
92M87.4Confident90.8Very high31 Ų3176.9 Ų76.915%0.15339%0.386CS..  trans-99.4121.5-179.9-149.3174.779.800111K86 R89 R90 H94 N122K86-M92 HydrophobicContact CB-CE 4Å; K86-M92 HydrophobicContact CD-CE 3.38Å; K86-M92 HydrophobicContact CG-CE 3.98Å; K86-M92 PolarHBondContact N-O 3.21Å; R89-M92 HydrophobicContact CB-CB 3.94Å; R89-M92 HydrophobicContact CB-CE 4.2Å; R89-M92 HydrophobicContact CB-SD 4.35Å; R89-M92 VanDerWaalsContact CD-CE 3.47Å; R89-M92 HydrophobicContact CG-CE 4.4Å; R89-M92 PolarHBondContact O-N 3.33Å; R90-M92 VanDerWaalsContact C-N 3.26Å; R90-M92 PolarHBondContact O-N 3.13Å; M92-H94 WeakPolarHBondContact CE-NE2 3.11Å; M92-N122 VanDerWaalsContact CG-OD1 3.23Å; M92-N122 WeakPolarHBondContact CG-OD1 3.44Å
93Y94.9Very high90.7Very high74 Ų7478 Ų7829%0.2939%0.392SS..EExtended strand (participates in β ladder)trans-121.8131-177.2-70.6-101000109.6C83 I84 R85 P118 F121 N122C83-Y93 HydrophobicContact CB-CD1 4.49Å; I84-Y93 CarbonylContact O-C 3.52Å; I84-Y93 VanDerWaalsContact O-CA 3.29Å; I84-Y93 WeakPolarHBondContact O-CA 3.15Å; R85-Y93 HydrophobicContact CB-CD1 4.05Å; R85-Y93 HydrophobicContact CB-CE1 3.77Å; R85-Y93 HydrophobicContact CG-CE1 4.21Å; Y93-P118 HydrophobicContact CD1-CG 4.26Å; Y93-P118 HydrophobicContact CD2-CG 3.7Å; Y93-P118 HydrophobicContact CE2-CG 4.31Å; Y93-P118 HydrophobicContact CG-CG 3.67Å; Y93-F121 CarbonylContact O-C 3.51Å; Y93-N122 PolarHBondContact O-N 3.27Å
94H94.3Very high90.5Very high34 Ų3488.6 Ų88.616%0.15743%0.432CS..EExtended strand (participates in β ladder)trans-99.8136.4175.9-69.6-171.7000109.8C83 I84 K86 M92 E96 N122 P124C83-H94 CarbonylContact C-O 3.6Å; C83-H94 WeakPolarHBondContact CA-O 3.33Å; C83-H94 WeakPolarHBondContact CB-O 3.13Å; I84-H94 HydrophobicContact CG1-CB 4.11Å; I84-H94 PolarHBondContact N-O 3.05Å; I84-H94 PolarHBondContact O-N 3.23Å; K86-H94 VanDerWaalsContact CD-CE1 3.44Å; K86-H94 WeakPolarHBondContact CD-CE1 3.33Å; K86-H94 WeakPolarHBondContact CD-NE2 3.39Å; M92-H94 WeakPolarHBondContact CE-NE2 3.11Å; H94-E96 PolarHBondContact O-N 3.45Å; H94-N122 CarbonylContact C-O 3.34Å; H94-N122 VanDerWaalsContact CA-O 3.27Å; H94-N122 WeakPolarHBondContact CA-O 3.49Å; H94-P124 HydrophobicContact CB-CG 4.39Å
95L96.2Very high90.4Very high20 Ų2092.8 Ų92.811%0.10545%0.447CS..EExtended strand (participates in β ladder)trans-60.9124.3167.7-175.366.7000109.2L67 A81 V98 F121 N122 F123L67-L95 HydrophobicContact CD2-CD1 4.07Å; L67-L95 HydrophobicContact CD2-CD2 4.36Å; A81-L95 HydrophobicContact CB-CD1 3.97Å; L95-V98 HydrophobicContact CD1-CG2 4.02Å; L95-V98 HydrophobicContact CD2-CG2 3.91Å; L95-V98 HydrophobicContact CG-CG2 4.29Å; L95-F121 HydrophobicContact CB-CD2 3.61Å; L95-F121 HydrophobicContact CB-CE2 3.77Å; L95-F121 HydrophobicContact CD1-CE2 4.35Å; L95-F121 HydrophobicContact CD2-CE2 3.81Å; L95-F121 HydrophobicContact CD2-CZ 4.35Å; L95-F121 HydrophobicContact CG-CD2 4.44Å; L95-F121 HydrophobicContact CG-CE2 4.2Å; L95-N122 PolarHBondContact N-O 3.29Å; L95-F123 HydrophobicContact CD2-CD2 4.35Å; L95-F123 HydrophobicContact CD2-CG 4.41Å
96E94.7Very high90.5Very high126 Ų12686.8 Ų86.859%0.58943%0.427SS*.EExtended strand (participates in β ladder)trans-108.1-42179.3-177.8176.3-123.600111.1N82 I84 H94N82-E96 PolarHBondContact O-N 3.13Å; I84-E96 HydrophobicContact CG1-CB 4.26Å; I84-E96 HydrophobicContact CG2-CB 4.05Å; I84-E96 HydrophobicContact CG2-CG 4.22Å; I84-E96 WeakPolarHBondContact CG2-OE1 3.07Å; I84-E96 WeakPolarHBondContact CG2-OE2 3.37Å; H94-E96 PolarHBondContact O-N 3.45Å
97E95.9Very high91.1Very high70 Ų7088.5 Ų88.533%0.32744%0.436SS..EExtended strand (participates in β ladder)trans-144.1141.3-171.8-168.1-172.3177.900110.7A81 N82 R99A81-E97 CarbonylContact C-O 3.13Å; A81-E97 VanDerWaalsContact CA-O 3.32Å; A81-E97 WeakPolarHBondContact CA-O 3.39Å; N82-E97 HydrophobicContact CB-CB 4.16Å; N82-E97 PolarHBondContact N-O 3.11Å; N82-E97 PolarHBondContact ND2-OE2 2.04Å; N82-E97 PolarHBondContact O-N 2.57Å; N82-E97 VanDerWaalsContact O-N 3.15Å; E97-R99 HydrophobicContact CG-CG 4.11Å; E97-R99 WeakPolarHBondContact OE1-CG 3.48Å; E97-R99 IonicContact OE1-CZ 3.99Å; E97-R99 IonicContact OE1-NE 3.93Å; E97-R99 PolarHBondContact OE1-NE 2.83Å; E97-R99 IonicContact OE1-NH2 3.39Å; E97-R99 PolarHBondContact OE1-NH2 2.96Å; E97-R99 IonicContact OE2-CZ 2.94Å; E97-R99 VanDerWaalsContact OE2-CZ 3.3Å; E97-R99 IonicContact OE2-NE 3.33Å; E97-R99 PolarHBondContact OE2-NE 3.29Å; E97-R99 IonicContact OE2-NH2 3.75Å; E97-R99 PolarHBondContact OE2-NH2 2.96Å
98V97.2Very high91.9Very high31 Ų3185.5 Ų85.519%0.18841%0.411CS..EExtended strand (participates in β ladder)trans-122.5130.7166.3177.10000107.7L45 L67 L71 S80 L95L45-V98 HydrophobicContact CD1-CG1 4.49Å; L45-V98 HydrophobicContact CD2-CB 3.82Å; L45-V98 HydrophobicContact CD2-CG1 3.79Å; L67-V98 HydrophobicContact CD2-CG2 4.29Å; L71-V98 HydrophobicContact CD1-CG1 3.71Å; L71-V98 HydrophobicContact CD2-CG1 3.87Å; L71-V98 HydrophobicContact CG-CG1 4.46Å; S80-V98 CarbonylContact O-C 3.43Å; S80-V98 WeakPolarHBondContact O-CA 3.33Å; L95-V98 HydrophobicContact CD1-CG2 4.02Å; L95-V98 HydrophobicContact CD2-CG2 3.91Å; L95-V98 HydrophobicContact CG-CG2 4.29Å
99R96.9Very high92.7Very high113 Ų11384.7 Ų84.743%0.42638%0.384SS..EExtended strand (participates in β ladder)trans-114.1134.2-178.8-60.7179.5178.2175.84.2110G79 S80 N82 E97G79-R99 WeakPolarHBondContact CA-O 3.37Å; S80-R99 PolarHBondContact N-O 3.24Å; S80-R99 PolarHBondContact O-N 3.39Å; N82-R99 PolarHBondContact ND2-NH2 3.31Å; E97-R99 HydrophobicContact CG-CG 4.11Å; E97-R99 WeakPolarHBondContact OE1-CG 3.48Å; E97-R99 IonicContact OE1-CZ 3.99Å; E97-R99 IonicContact OE1-NE 3.93Å; E97-R99 PolarHBondContact OE1-NE 2.83Å; E97-R99 IonicContact OE1-NH2 3.39Å; E97-R99 PolarHBondContact OE1-NH2 2.96Å; E97-R99 IonicContact OE2-CZ 2.94Å; E97-R99 VanDerWaalsContact OE2-CZ 3.3Å; E97-R99 IonicContact OE2-NE 3.33Å; E97-R99 PolarHBondContact OE2-NE 3.29Å; E97-R99 IonicContact OE2-NH2 3.75Å; E97-R99 PolarHBondContact OE2-NH2 2.96Å
100V96.5Very high93.7Very high38 Ų3881.9 Ų81.923%0.2338%0.38CS..  trans-118.4131.6168.5179.60000106.6L43 F75 F108L43-V100 HydrophobicContact CD2-CG1 4.39Å; F75-V100 HydrophobicContact CD2-CG1 4.2Å; F75-V100 HydrophobicContact CD2-CG2 3.83Å; F75-V100 HydrophobicContact CE2-CG2 3.65Å; F75-V100 HydrophobicContact CG-CG1 4.21Å; F75-V100 HydrophobicContact CZ-CG2 4.28Å; V100-F108 HydrophobicContact CG1-CD1 3.5Å; V100-F108 HydrophobicContact CG1-CE1 3.55Å
101C97.1Very high94.7Very high30 Ų3069.8 Ų69.820%0.20334%0.335CS..EExtended strand (participates in β ladder)trans-101.8144-172.1-63.10000111.9M109 C111C101-M109 HydrophobicContact CB-CG 4.09Å; C101-M109 PolarHBondContact O-N 3.22Å; C101-C111 HydrophobicContact CB-CB 3.99Å; C101-C111 WeakPolarHBondContact CB-SG 3.35Å; C101-C111 PolarHBondContact N-SG 2.85Å; C101-C111 VanDerWaalsContact N-SG 3.43Å; C101-C111 WeakPolarHBondContact SG-CA 3.42Å; C101-C111 WeakPolarHBondContact SG-CB 3.2Å; C101-C111 CovalentContact SG-SG 2.04Å; C101-C111 PolarHBondContact SG-SG 2.84Å
102L96.3Very high95.5Very high45 Ų4572 Ų7224%0.23634%0.339CS..EExtended strand (participates in β ladder)trans-121.7145.9177.8-60.2179.7000110.1F35 L39 E107 F108 M109F35-L102 HydrophobicContact CE1-CD1 4.12Å; F35-L102 HydrophobicContact CZ-CD1 3.92Å; L39-L102 HydrophobicContact CD1-CD1 4.12Å; L39-L102 HydrophobicContact CD2-CD1 3.57Å; L39-L102 HydrophobicContact CG-CD1 4.5Å; L102-E107 CarbonylContact C-O 3.53Å; L102-E107 VanDerWaalsContact CA-O 3.24Å; L102-E107 WeakPolarHBondContact CA-O 3.26Å; L102-F108 HydrophobicContact CD2-CD1 3.45Å; L102-F108 VanDerWaalsContact CD2-CD1 3.45Å; L102-F108 HydrophobicContact CD2-CE1 3.71Å; L102-F108 HydrophobicContact CD2-CG 4.26Å; L102-M109 VanDerWaalsContact O-SD 3.4Å
103N95.2Very high95.9Very high47 Ų4778.3 Ų78.325%0.25137%0.367SS..  trans-78.5176.2167.672.313.8000110.6K105 H106 E107 M109N103-K105 PolarHBondContact O-N 3.38Å; N103-K105 VanDerWaalsContact OD1-CA 3.27Å; N103-K105 WeakPolarHBondContact OD1-CA 2.97Å; N103-K105 WeakPolarHBondContact OD1-CB 3.26Å; N103-K105 PolarHBondContact OD1-N 3.43Å; N103-H106 PolarHBondContact O-N 3.37Å; N103-H106 PolarHBondContact OD1-N 2.86Å; N103-E107 PolarHBondContact N-O 3.45Å; N103-E107 PolarHBondContact ND2-OE2 2.94Å; N103-E107 PolarHBondContact OD1-N 3.3Å; N103-M109 WeakPolarHBondContact CA-SD 3.44Å; N103-M109 HydrophobicContact CB-CB 4.45Å; N103-M109 HydrophobicContact CB-CG 4.4Å; N103-M109 HydrophobicContact CB-SD 3.71Å; N103-M109 PolarHBondContact N-SD 2.78Å; N103-M109 VanDerWaalsContact N-SD 3.43Å
104R92.5Very high95.7Very high225 Ų22580.8 Ų80.885%0.84938%0.384SS*.THydrogen-bonded Turntrans-65.5-5.6177-66.3-174.6178.9-176.1-2.2114.6
105K94.1Very high95.8Very high162 Ų16280.6 Ų80.670%0.70439%0.391SS*.THydrogen-bonded Turntrans-100.98.1173.2-57.9-177.3179.7179.60112.1N103 E107N103-K105 PolarHBondContact O-N 3.38Å; N103-K105 VanDerWaalsContact OD1-CA 3.27Å; N103-K105 WeakPolarHBondContact OD1-CA 2.97Å; N103-K105 WeakPolarHBondContact OD1-CB 3.26Å; N103-K105 PolarHBondContact OD1-N 3.43Å; K105-E107 HydrophobicContact CB-CG 4.26Å; K105-E107 PolarHBondContact O-N 2.95Å
106H94.1Very high95.8Very high47 Ų4784.4 Ų84.422%0.21841%0.412CS..SBendtrans63.124.4-176.5-53.7139.6000114.9D23 Q25 F35 N103D23-H106 VanDerWaalsContact CG-CE1 3.41Å; D23-H106 IonicContact OD1-CE1 2.74Å; D23-H106 PolarHBondContact OD1-CE1 2.97Å; D23-H106 IonicContact OD1-NE2 2.75Å; D23-H106 IonicContact OD2-CE1 3.06Å; D23-H106 PolarHBondContact OD2-CE1 3.17Å; D23-H106 IonicContact OD2-ND1 3.11Å; D23-H106 IonicContact OD2-NE2 3.49Å; D23-H106 PolarHBondContact OD2-NE2 3Å; D23-H106 VanDerWaalsContact OD2-NE2 3.11Å; Q25-H106 PolarHBondContact NE2-ND1 3.24Å; F35-H106 HydrophobicContact CE2-CB 3.96Å; F35-H106 AromaticContact CE2-CD2 3.75Å; F35-H106 AromaticContact CE2-CE1 3.77Å; F35-H106 AromaticContact CE2-CG 3.49Å; F35-H106 VanDerWaalsContact CE2-CG 3.49Å; F35-H106 AromaticContact CE2-ND1 3.51Å; F35-H106 AromaticContact CE2-NE2 3.89Å; F35-H106 HydrophobicContact CZ-CB 3.84Å; F35-H106 AromaticContact CZ-CD2 3.33Å; F35-H106 WeakPolarHBondContact CZ-CD2 3.41Å; F35-H106 AromaticContact CZ-CG 3.45Å; F35-H106 VanDerWaalsContact CZ-CG 3.45Å; F35-H106 AromaticContact CZ-ND1 3.93Å; F35-H106 AromaticContact CZ-NE2 3.74Å; N103-H106 PolarHBondContact O-N 3.37Å; N103-H106 PolarHBondContact OD1-N 2.86Å
107E95.8Very high95.9Very high107 Ų10779.3 Ų79.350%0.539%0.39SS..  trans-94.8147.3173.2-55.8165.1142.800109.6L102 N103 K105L102-E107 CarbonylContact C-O 3.53Å; L102-E107 VanDerWaalsContact CA-O 3.24Å; L102-E107 WeakPolarHBondContact CA-O 3.26Å; N103-E107 PolarHBondContact N-O 3.45Å; N103-E107 PolarHBondContact ND2-OE2 2.94Å; N103-E107 PolarHBondContact OD1-N 3.3Å; K105-E107 HydrophobicContact CB-CG 4.26Å; K105-E107 PolarHBondContact O-N 2.95Å
108F97.1Very high95.8Very high53 Ų5378 Ų7823%0.23239%0.387CS..EExtended strand (participates in β ladder)trans-57.8142.5175.1-64.3-57.3000111.2L43 F75 Y77 V100 L102L43-F108 HydrophobicContact CD2-CE1 3.62Å; L43-F108 HydrophobicContact CD2-CZ 3.53Å; F75-F108 HydrophobicContact CB-CD2 4.42Å; F75-F108 HydrophobicContact CB-CG 4.33Å; F75-F108 HydrophobicContact CD1-CE1 4.25Å; F75-F108 HydrophobicContact CD1-CE2 4.07Å; F75-F108 AromaticContact CD1-CZ 3.9Å; F75-F108 HydrophobicContact CD1-CZ 3.9Å; F75-F108 HydrophobicContact CE1-CZ 4.44Å; Y77-F108 VanDerWaalsContact CD2-C 3.49Å; Y77-F108 HydrophobicContact CD2-CB 3.46Å; Y77-F108 VanDerWaalsContact CD2-CB 3.46Å; Y77-F108 WeakPolarHBondContact CD2-O 3.38Å; Y77-F108 VanDerWaalsContact CE2-C 3.5Å; Y77-F108 HydrophobicContact CE2-CB 3.79Å; Y77-F108 WeakPolarHBondContact CE2-O 3.5Å; Y77-F108 HydrophobicContact CG-CB 4.5Å; Y77-F108 VanDerWaalsContact CZ-O 3.31Å; V100-F108 HydrophobicContact CG1-CD1 3.5Å; V100-F108 HydrophobicContact CG1-CE1 3.55Å; L102-F108 HydrophobicContact CD2-CD1 3.45Å; L102-F108 VanDerWaalsContact CD2-CD1 3.45Å; L102-F108 HydrophobicContact CD2-CE1 3.71Å; L102-F108 HydrophobicContact CD2-CG 4.26Å
109M98Very high95.8Very high72 Ų7281.9 Ų81.936%0.35541%0.411SS..EExtended strand (participates in β ladder)trans-147.3164.3176.168.9175-70.100110.4C101 L102 N103 C111C101-M109 HydrophobicContact CB-CG 4.09Å; C101-M109 PolarHBondContact O-N 3.22Å; L102-M109 VanDerWaalsContact O-SD 3.4Å; N103-M109 WeakPolarHBondContact CA-SD 3.44Å; N103-M109 HydrophobicContact CB-CB 4.45Å; N103-M109 HydrophobicContact CB-CG 4.4Å; N103-M109 HydrophobicContact CB-SD 3.71Å; N103-M109 PolarHBondContact N-SD 2.78Å; N103-M109 VanDerWaalsContact N-SD 3.43Å; M109-C111 PolarHBondContact O-N 3.21Å
110N98Very high95.8Very high83 Ų8381.4 Ų81.444%0.44441%0.412SS..  trans-61131.6172-72.4-48000110.9N78N78-N110 PolarHBondContact N-OD1 3.39Å; N78-N110 VanDerWaalsContact OD1-C 3.3Å; N78-N110 WeakPolarHBondContact OD1-CA 3.26Å; N78-N110 WeakPolarHBondContact OD1-CB 3.48Å; N78-N110 PolarHBondContact OD1-OD1 2.91Å
111C97.6Very high95.8Very high5 Ų579.6 Ų79.63%0.03440%0.401CS..  trans-66.1125.3167.5-73.20000110.8N78 C101 M109 F113N78-C111 PolarHBondContact OD1-N 3.36Å; N78-C111 PolarHBondContact OD1-O 3.17Å; C101-C111 HydrophobicContact CB-CB 3.99Å; C101-C111 WeakPolarHBondContact CB-SG 3.35Å; C101-C111 PolarHBondContact N-SG 2.85Å; C101-C111 VanDerWaalsContact N-SG 3.43Å; C101-C111 WeakPolarHBondContact SG-CA 3.42Å; C101-C111 WeakPolarHBondContact SG-CB 3.2Å; C101-C111 CovalentContact SG-SG 2.04Å; C101-C111 PolarHBondContact SG-SG 2.84Å; M109-C111 PolarHBondContact O-N 3.21Å; C111-F113 VanDerWaalsContact C-N 3.3Å; C111-F113 PolarHBondContact O-N 2.81Å
112P96.4Very high95.7Very high98 Ų9878.5 Ų78.564%0.63639%0.393SS*.SBendtrans-72.1-23.9-18027-33.4000113.1
113F94.6Very high95.6Very high165 Ų16577.5 Ų77.572%0.72439%0.387SS*.SBendtrans-120.4117.8-177.8-55.8-70.2000110.9S80 C111S80-F113 VanDerWaalsContact CB-O 3.26Å; S80-F113 WeakPolarHBondContact CB-O 3.26Å; S80-F113 PolarHBondContact OG-O 3.39Å; C111-F113 VanDerWaalsContact C-N 3.3Å; C111-F113 PolarHBondContact O-N 2.81Å
114L92.5Very high95.5Very high125 Ų12577.1 Ų77.165%0.65439%0.387SS*.  trans-78.3144.2171.8-55.8-177.6000109.6
115G94.5Very high95.5Very high30 Ų3071.8 Ų71.831%0.30937%0.372SS..  trans-79.3-173.2-178.100000112.6S80 A81 N82S80-G115 PolarHBondContact OG-N 3.45Å; A81-G115 CarbonylContact O-C 3.53Å; A81-G115 WeakPolarHBondContact O-CA 3.47Å; N82-G115 WeakPolarHBondContact OD1-CA 3.29Å
116N96.3Very high95.2Very high100 Ų10070.8 Ų70.854%0.53537%0.368SS..  trans-103.311.7-168.770.8-12.9000114.8A81 N82 C83A81-N116 PolarHBondContact O-N 3.04Å; N82-N116 VanDerWaalsContact CA-OD1 3.22Å; N82-N116 WeakPolarHBondContact CA-OD1 3.27Å; N82-N116 PolarHBondContact OD1-N 3.5Å; C83-N116 PolarHBondContact N-OD1 3.34Å; C83-N116 PolarHBondContact O-ND2 2.93Å; C83-N116 PolarHBondContact O-OD1 2.6Å
117C96.7Very high94.2Very high19 Ų1981.4 Ų81.413%0.12842%0.417CS..  trans-61.1132.9178.2-73.70000111.4T64 A81 C83T64-C117 HydrophobicContact CG2-CB 4.06Å; A81-C117 PolarHBondContact O-N 3.01Å; A81-C117 PolarHBondContact O-SG 3.18Å; A81-C117 VanDerWaalsContact O-SG 3.36Å; C83-C117 HydrophobicContact CB-CB 3.96Å; C83-C117 WeakPolarHBondContact CB-SG 3.4Å; C83-C117 PolarHBondContact N-SG 3.01Å; C83-C117 WeakPolarHBondContact SG-CB 3.38Å; C83-C117 CovalentContact SG-SG 2.04Å; C83-C117 PolarHBondContact SG-SG 2.97Å
118P95.6Very high94.2Very high43 Ų4380.2 Ų80.228%0.27941%0.413SS..  trans-70.5-177.1174.432.8-38.4000111.1T64 Y93 K120T64-P118 WeakPolarHBondContact CB-O 3.45Å; T64-P118 PolarHBondContact OG1-O 2.76Å; Y93-P118 HydrophobicContact CD1-CG 4.26Å; Y93-P118 HydrophobicContact CD2-CG 3.7Å; Y93-P118 HydrophobicContact CE2-CG 4.31Å; Y93-P118 HydrophobicContact CG-CG 3.67Å; P118-K120 WeakPolarHBondContact CG-O 3.37Å; P118-K120 PolarHBondContact O-N 3.42Å; P118-K120 VanDerWaalsContact O-N 3.13Å
119V96.4Very high94Very high112 Ų11281.6 Ų81.668%0.67942%0.423SS*.SBendtrans-51.7-40.7179.8-179.20000112.3D63 T64D63-V119 WeakPolarHBondContact CA-O 3.32Å; T64-V119 PolarHBondContact N-O 3.31Å
120K96.1Very high93.8Very high104 Ų10482.1 Ų82.145%0.45243%0.427SS..EExtended strand (participates in β ladder)trans-128.8136.7178.2-72-176176.7-177.40112.3Q61 Y62 D63 P118Q61-K120 HydrophobicContact CB-CB 4.4Å; Q61-K120 HydrophobicContact CB-CD 4.48Å; Y62-K120 CarbonylContact O-C 3.54Å; Y62-K120 VanDerWaalsContact O-CA 3.26Å; Y62-K120 WeakPolarHBondContact O-CA 3.46Å; D63-K120 WeakPolarHBondContact OD1-CE 3.23Å; D63-K120 VanDerWaalsContact OD1-CG 3.26Å; D63-K120 WeakPolarHBondContact OD1-CG 3.5Å; P118-K120 WeakPolarHBondContact CG-O 3.37Å; P118-K120 PolarHBondContact O-N 3.42Å; P118-K120 VanDerWaalsContact O-N 3.13Å
121F96.1Very high93.5Very high0 Ų082.1 Ų82.10%043%0.426CS..EExtended strand (participates in β ladder)trans-131.1163.6176.567.4-89.4000111.4Q61 Y62 T64 L67 C83 Y93 L95 F123Q61-F121 CarbonylContact C-O 3.49Å; Q61-F121 VanDerWaalsContact CA-O 3.26Å; Q61-F121 WeakPolarHBondContact CA-O 3.39Å; Y62-F121 HydrophobicContact CD2-CE2 4.14Å; Y62-F121 HydrophobicContact CG-CE2 4.44Å; Y62-F121 HydrophobicContact CG-CZ 4.41Å; Y62-F121 PolarHBondContact N-O 2.78Å; Y62-F121 WeakPolarHBondContact O-CD1 3.34Å; Y62-F121 PolarHBondContact O-N 3.34Å; T64-F121 WeakPolarHBondContact OG1-CD1 3.42Å; L67-F121 HydrophobicContact CB-CE1 4.11Å; L67-F121 HydrophobicContact CB-CZ 4.12Å; L67-F121 HydrophobicContact CD2-CE1 3.98Å; L67-F121 HydrophobicContact CD2-CZ 3.74Å; L67-F121 HydrophobicContact CG-CZ 4.45Å; C83-F121 VanDerWaalsContact SG-CB 3.51Å; Y93-F121 CarbonylContact O-C 3.51Å; L95-F121 HydrophobicContact CB-CD2 3.61Å; L95-F121 HydrophobicContact CB-CE2 3.77Å; L95-F121 HydrophobicContact CD1-CE2 4.35Å; L95-F121 HydrophobicContact CD2-CE2 3.81Å; L95-F121 HydrophobicContact CD2-CZ 4.35Å; L95-F121 HydrophobicContact CG-CD2 4.44Å; L95-F121 HydrophobicContact CG-CE2 4.2Å; F121-F123 HydrophobicContact CE2-CB 4.27Å
122N95.3Very high93.3Very high6 Ų686.9 Ų86.93%0.03245%0.45CS..EExtended strand (participates in β ladder)trans-101143.3170.9-65.994000109.7R60 M92 Y93 H94 L95R60-N122 PolarHBondContact O-ND2 3.32Å; M92-N122 VanDerWaalsContact CG-OD1 3.23Å; M92-N122 WeakPolarHBondContact CG-OD1 3.44Å; Y93-N122 PolarHBondContact O-N 3.27Å; H94-N122 CarbonylContact C-O 3.34Å; H94-N122 VanDerWaalsContact CA-O 3.27Å; H94-N122 WeakPolarHBondContact CA-O 3.49Å; L95-N122 PolarHBondContact N-O 3.29Å
123F95.8Very high93.1Very high24 Ų2486.1 Ų86.111%0.10544%0.438CS..  trans-114.791.7170.6-178.2-158.8000107.7L46 I54 P56 H57 Y62 L95 F121 F126L46-F123 HydrophobicContact CD1-CE1 4.07Å; L46-F123 HydrophobicContact CD1-CZ 3.98Å; I54-F123 HydrophobicContact CG2-CD1 4.27Å; P56-F123 CarbonylContact C-O 3.58Å; P56-F123 VanDerWaalsContact CA-O 3.32Å; P56-F123 WeakPolarHBondContact CA-O 3.49Å; P56-F123 HydrophobicContact CB-CE1 4.5Å; P56-F123 HydrophobicContact CG-CD1 4.29Å; P56-F123 HydrophobicContact CG-CE1 3.73Å; P56-F123 HydrophobicContact CG-CE2 4.31Å; P56-F123 HydrophobicContact CG-CZ 3.75Å; H57-F123 PolarHBondContact N-O 3.23Å; H57-F123 VanDerWaalsContact O-O 3.07Å; Y62-F123 HydrophobicContact CD2-CB 4.04Å; Y62-F123 HydrophobicContact CE2-CB 3.87Å; L95-F123 HydrophobicContact CD2-CD2 4.35Å; L95-F123 HydrophobicContact CD2-CG 4.41Å; F121-F123 HydrophobicContact CE2-CB 4.27Å; F123-F126 HydrophobicContact CZ-CZ 4.26Å
124P92.3Very high93Very high39 Ų3980.5 Ų80.525%0.25342%0.417SS..PPolyproline II helixtrans-67.9158.4-17330.3-37.6000111.9H94H94-P124 HydrophobicContact CB-CG 4.39Å
125Q92.2Very high93Very high113 Ų11377.1 Ų77.153%0.52840%0.399SS..PPolyproline II helixtrans-62152169.5-66.9-170.6-16.800111.8P56 D58P56-Q125 HydrophobicContact CB-CG 4.26Å; D58-Q125 WeakPolarHBondContact OD1-CG 3.45Å
126F88.2Confident92.9Very high142 Ų14281 Ų8162%0.62341%0.406SS*.PPolyproline II helixtrans-68141.7173.3-52.1-69.9000109.5L46 P56 F123L46-F126 HydrophobicContact CD1-CE2 4.49Å; L46-F126 HydrophobicContact CD1-CZ 4.16Å; L46-F126 HydrophobicContact CD2-CE2 3.87Å; L46-F126 HydrophobicContact CD2-CZ 3.87Å; P56-F126 HydrophobicContact CB-CE2 4.38Å; P56-F126 HydrophobicContact CG-CD2 4.24Å; P56-F126 HydrophobicContact CG-CE2 3.54Å; P56-F126 HydrophobicContact CG-CZ 3.89Å; F123-F126 HydrophobicContact CZ-CZ 4.26Å
127Q73.8Confident92.6Very high270 Ų27079.3 Ų79.3100%1.26240%0.395SS*.  trans-80.20170.9-67.5180-000110.8

Retrieved 127 of 127 residues in 538.8 ms (Link to these results)

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