A0A3Q0KP21_SCHMA Loading...

Forkhead box protein K1

AlphaFold DB , UniProt , Accession A0A3Q0KP21, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 564 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
1M64.5Low86.9Confident224 Ų22459.7 Ų59.7100%1.10334%0.343SS*.  0154.40-69.2-50.1179.300109.2
2P76.9Confident86.7Confident72 Ų7272.7 Ų72.747%0.46839%0.392SS..  trans-62.8140.6168.927.3-34000110.6V4 V18P2-V4 PolarHBondContact O-N 3.23Å; P2-V18 HydrophobicContact CB-CG1 3.62Å; P2-V18 HydrophobicContact CB-CG2 4.03Å; P2-V18 HydrophobicContact CG-CG2 4.34Å
3T83.7Confident86.8Confident71 Ų7172.2 Ų72.244%0.43639%0.393SS..  trans-69.9125.8170.9-50.90000109.2Y5T3-Y5 HydrophobicContact CG2-CD1 4.21Å; T3-Y5 HydrophobicContact CG2-CE1 3.67Å
4V89.3Confident87.2Confident34 Ų3472.7 Ų72.721%0.20639%0.394CS..  trans-100.6113.6174.31790000108.2P2 A6 E16 V18 C103P2-V4 PolarHBondContact O-N 3.23Å; V4-A6 WeakPolarHBondContact CG1-O 3.15Å; V4-E16 HydrophobicContact CG1-CB 3.91Å; V4-E16 HydrophobicContact CG1-CG 4.3Å; V4-E16 HydrophobicContact CG2-CB 4.22Å; V4-V18 HydrophobicContact CG2-CG2 4.25Å; V4-C103 HydrophobicContact CG1-CB 4.15Å; V4-C103 WeakPolarHBondContact O-CB 3.43Å
5Y91.3Very high87.5Confident29 Ų2971.5 Ų71.511%0.11438%0.382CS..  trans-79-38.1-179.9-58.8-66.8000111.8T3 M17 H20 W52 C103T3-Y5 HydrophobicContact CG2-CD1 4.21Å; T3-Y5 HydrophobicContact CG2-CE1 3.67Å; Y5-M17 WeakPolarHBondContact CD2-O 3.27Å; Y5-M17 PolarHBondContact N-O 3.12Å; Y5-H20 AromaticContact CE1-CE1 3.92Å; Y5-H20 AromaticContact CE2-ND1 3.97Å; Y5-H20 AromaticContact CZ-CE1 3.46Å; Y5-H20 VanDerWaalsContact CZ-CE1 3.46Å; Y5-H20 AromaticContact CZ-ND1 3.7Å; Y5-H20 AromaticContact CZ-NE2 3.98Å; Y5-H20 PolarHBondContact OH-CE1 3.32Å; Y5-H20 PolarHBondContact OH-NE2 3.13Å; Y5-W52 HydrophobicContact CD1-CB 4.24Å; Y5-W52 AromaticContact CD1-CD1 3.65Å; Y5-W52 AromaticContact CD1-CD2 3.58Å; Y5-W52 HydrophobicContact CD1-CD2 3.58Å; Y5-W52 AromaticContact CD1-CE2 3.67Å; Y5-W52 HydrophobicContact CD1-CE3 4.25Å; Y5-W52 AromaticContact CD1-CG 3.54Å; Y5-W52 HydrophobicContact CD1-CG 3.54Å; Y5-W52 HydrophobicContact CD1-CZ2 4.36Å; Y5-W52 AromaticContact CD1-NE1 3.71Å; Y5-W52 AromaticContact CE1-CD1 3.84Å; Y5-W52 HydrophobicContact CE1-CD2 4.48Å; Y5-W52 HydrophobicContact CE1-CG 4.16Å; Y5-W52 AromaticContact CE1-NE1 3.94Å; Y5-W52 HydrophobicContact CG-CB 4.11Å; Y5-W52 HydrophobicContact CG-CD2 4Å; Y5-W52 HydrophobicContact CG-CE3 4.38Å; Y5-W52 AromaticContact CG-CG 3.88Å; Y5-W52 HydrophobicContact CG-CG 3.88Å; Y5-C103 PolarHBondContact O-N 2.88Å
6A92.5Very high87.8Confident0 Ų070.9 Ų70.90%038%0.377CS..EExtended strand (participates in β ladder)trans-152155.7-179.200000112.4V4 L8 M17 L57 I100 E101V4-A6 WeakPolarHBondContact CG1-O 3.15Å; A6-L8 HydrophobicContact CB-CD1 4.2Å; A6-M17 HydrophobicContact CB-CB 4.09Å; A6-M17 HydrophobicContact CB-SD 4.27Å; A6-M17 WeakPolarHBondContact O-CB 3.18Å; A6-M17 PolarHBondContact O-N 3.25Å; A6-L57 HydrophobicContact CB-CD1 3.76Å; A6-L57 HydrophobicContact CB-CD2 3.97Å; A6-L57 HydrophobicContact CB-CG 4.45Å; A6-I100 HydrophobicContact CB-CG2 4.36Å; A6-E101 CarbonylContact C-O 3.53Å; A6-E101 VanDerWaalsContact CA-O 3.23Å; A6-E101 WeakPolarHBondContact CA-O 3.37Å
7R93.1Very high88.1Confident80 Ų8066.9 Ų66.930%0.30236%0.355SS..EExtended strand (participates in β ladder)trans-107.2130.9168171.916554.7-127.38.7108.6I14 Y15 I100 E101 C103R7-I14 HydrophobicContact CG-CG2 3.66Å; R7-Y15 WeakPolarHBondContact CA-O 3.31Å; R7-I100 WeakPolarHBondContact O-CA 3.3Å; R7-E101 HydrophobicContact CB-CB 4.46Å; R7-E101 IonicContact CZ-OE1 3.73Å; R7-E101 IonicContact CZ-OE2 2.85Å; R7-E101 PolarHBondContact N-O 3.48Å; R7-E101 IonicContact NE-OE2 2.79Å; R7-E101 PolarHBondContact NE-OE2 2.9Å; R7-E101 IonicContact NH2-OE1 2.73Å; R7-E101 PolarHBondContact NH2-OE1 3.36Å; R7-E101 IonicContact NH2-OE2 3.77Å; R7-E101 PolarHBondContact NH2-OE2 3.33Å; R7-E101 PolarHBondContact O-N 3.49Å; R7-C103 PolarHBondContact N-SG 2.96Å
8L94.6Very high88.2Confident2 Ų266.3 Ų66.31%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-120.7114.9179.7-63.890.1000109.5A6 Y15 M17 I22 I24 I35 I50 I98 Q99 I100A6-L8 HydrophobicContact CB-CD1 4.2Å; L8-Y15 PolarHBondContact N-O 3.48Å; L8-Y15 PolarHBondContact O-N 3.38Å; L8-M17 HydrophobicContact CD1-CB 3.86Å; L8-I22 HydrophobicContact CD1-CD1 4.1Å; L8-I22 HydrophobicContact CD2-CD1 3.93Å; L8-I24 HydrophobicContact CD2-CD1 3.82Å; L8-I35 HydrophobicContact CD2-CD1 4.18Å; L8-I50 HydrophobicContact CD2-CD1 4.33Å; L8-I98 HydrophobicContact CB-CG2 4.05Å; L8-I98 HydrophobicContact CD2-CG2 4.25Å; L8-Q99 CarbonylContact C-O 3.52Å; L8-Q99 WeakPolarHBondContact CA-O 3.36Å; L8-I100 HydrophobicContact CD2-CD1 3.7Å; L8-I100 HydrophobicContact CD2-CG1 3.98Å; L8-I100 HydrophobicContact CG-CD1 4.2Å; L8-I100 HydrophobicContact CG-CG1 4Å; L8-I100 HydrophobicContact CG-CG2 4.47Å
9T93.5Very high88.2Confident37 Ų3767.5 Ų67.523%0.22736%0.356CS..EExtended strand (participates in β ladder)trans-106121.5-178.2-58.80000110.2I14 I98 Q99T9-I14 HydrophobicContact CG2-CG1 4.2Å; T9-I98 WeakPolarHBondContact O-CA 3.25Å; T9-Q99 PolarHBondContact N-O 2.84Å; T9-Q99 PolarHBondContact O-N 3.02Å
10M89.7Confident88.4Confident39 Ų3969.5 Ų69.519%0.19236%0.363CS..EExtended strand (participates in β ladder)trans-124.999.6178.6-173.81777200109.4K12 T13 Y15 I37 I96 I98M10-K12 PolarHBondContact O-N 3.07Å; M10-T13 PolarHBondContact N-O 3.46Å; M10-T13 PolarHBondContact O-N 2.96Å; M10-Y15 HydrophobicContact CB-CE2 4.41Å; M10-Y15 HydrophobicContact CE-CE2 4.28Å; M10-I37 HydrophobicContact SD-CG2 3.88Å; M10-I96 HydrophobicContact SD-CG2 4.36Å; M10-I98 HydrophobicContact CB-CG1 4.32Å; M10-I98 HydrophobicContact CG-CG1 4.18Å; M10-I98 HydrophobicContact SD-CD1 4.39Å; M10-I98 HydrophobicContact SD-CG1 4.23Å
11G86.6Confident88.7Confident69 Ų6970.5 Ų70.571%0.71137%0.366SS*.THydrogen-bonded Turntrans63-114-174.400000111.6
12K85.2Confident90.1Very high215 Ų21560.3 Ų60.394%0.93532%0.316SS*.THydrogen-bonded Turntrans-92.9-7.1175.8-65.2-172.8178.4-175.90113.9M10M10-K12 PolarHBondContact O-N 3.07Å
13T87.9Confident91Very high67 Ų6757.7 Ų57.741%0.41130%0.299SS..EExtended strand (participates in β ladder)trans-99.5133.1-175.1-50.60000110.7M10 Y15M10-T13 PolarHBondContact N-O 3.46Å; M10-T13 PolarHBondContact O-N 2.96Å; T13-Y15 HydrophobicContact CG2-CD2 4.3Å; T13-Y15 HydrophobicContact CG2-CE1 4Å; T13-Y15 HydrophobicContact CG2-CE2 3.67Å; T13-Y15 VanDerWaalsContact CG2-CZ 3.5Å
14I92Very high91.5Very high79 Ų7954.3 Ų54.341%0.40528%0.278SS..EExtended strand (participates in β ladder)trans-113.9133.3176.9-56.8175.6000108.3R7 T9R7-I14 HydrophobicContact CG-CG2 3.66Å; T9-I14 HydrophobicContact CG2-CG1 4.2Å
15Y92.4Very high91.8Very high54 Ų5452.7 Ų52.721%0.21227%0.268CS..EExtended strand (participates in β ladder)trans-120.3142.1176.6-57.8-83.9000110.3R7 L8 M10 T13 I35 L171R7-Y15 WeakPolarHBondContact CA-O 3.31Å; L8-Y15 PolarHBondContact N-O 3.48Å; L8-Y15 PolarHBondContact O-N 3.38Å; M10-Y15 HydrophobicContact CB-CE2 4.41Å; M10-Y15 HydrophobicContact CE-CE2 4.28Å; T13-Y15 HydrophobicContact CG2-CD2 4.3Å; T13-Y15 HydrophobicContact CG2-CE1 4Å; T13-Y15 HydrophobicContact CG2-CE2 3.67Å; T13-Y15 VanDerWaalsContact CG2-CZ 3.5Å; Y15-I35 HydrophobicContact CD2-CD1 4.33Å; Y15-I35 HydrophobicContact CE2-CG2 4.25Å; Y15-I35 HydrophobicContact CG-CD1 4.24Å; Y15-L171 HydrophobicContact CD1-CD1 4.06Å
16E92.2Very high91.9Very high63 Ų6354.5 Ų54.529%0.29428%0.275SS..EExtended strand (participates in β ladder)trans-110.9120.4177.1-66-174.6156.800110.4V4 V18 L171V4-E16 HydrophobicContact CG1-CB 3.91Å; V4-E16 HydrophobicContact CG1-CG 4.3Å; V4-E16 HydrophobicContact CG2-CB 4.22Å; E16-V18 PolarHBondContact O-N 3.3Å; E16-L171 WeakPolarHBondContact O-CD2 3.02Å
17M92Very high91.8Very high3 Ų356.9 Ų56.92%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-78.788.7-178.5-179172.4169.900110.1Y5 A6 L8 K19 H20 I22 I50 W52 L57Y5-M17 WeakPolarHBondContact CD2-O 3.27Å; Y5-M17 PolarHBondContact N-O 3.12Å; A6-M17 HydrophobicContact CB-CB 4.09Å; A6-M17 HydrophobicContact CB-SD 4.27Å; A6-M17 WeakPolarHBondContact O-CB 3.18Å; A6-M17 PolarHBondContact O-N 3.25Å; L8-M17 HydrophobicContact CD1-CB 3.86Å; M17-K19 WeakPolarHBondContact CE-O 3.3Å; M17-K19 VanDerWaalsContact CG-O 3.26Å; M17-K19 WeakPolarHBondContact CG-O 3.34Å; M17-H20 WeakPolarHBondContact CE-O 3.47Å; M17-I22 HydrophobicContact CB-CD1 4.44Å; M17-I22 HydrophobicContact CE-CG1 4.16Å; M17-I22 HydrophobicContact CG-CD1 4.08Å; M17-I22 HydrophobicContact CG-CG1 4.44Å; M17-I22 HydrophobicContact CG-CG2 4.13Å; M17-I22 HydrophobicContact SD-CD1 3.72Å; M17-I22 HydrophobicContact SD-CG1 3.91Å; M17-I50 HydrophobicContact CE-CG2 4.34Å; M17-I50 HydrophobicContact SD-CG2 4.26Å; M17-W52 HydrophobicContact CE-CB 4.48Å; M17-L57 HydrophobicContact CE-CD2 4.45Å; M17-L57 HydrophobicContact SD-CD2 4.1Å
18V89.7Confident91.6Very high55 Ų5554.6 Ų54.633%0.33329%0.287SS..  trans-84.9-16.4174173.80000112.5P2 V4 E16P2-V18 HydrophobicContact CB-CG1 3.62Å; P2-V18 HydrophobicContact CB-CG2 4.03Å; P2-V18 HydrophobicContact CG-CG2 4.34Å; V4-V18 HydrophobicContact CG2-CG2 4.25Å; E16-V18 PolarHBondContact O-N 3.3Å
19K89.8Confident91.2Very high90 Ų9060 Ų6039%0.39133%0.333SS..SBendtrans-90.9143.7174.9-60.8-177.6-176.3-179.20110.6M17 Q21 I22 D34M17-K19 WeakPolarHBondContact CE-O 3.3Å; M17-K19 VanDerWaalsContact CG-O 3.26Å; M17-K19 WeakPolarHBondContact CG-O 3.34Å; K19-Q21 WeakPolarHBondContact CB-O 3.43Å; K19-Q21 PolarHBondContact O-N 3.01Å; K19-I22 HydrophobicContact CB-CG2 4.06Å; K19-I22 HydrophobicContact CD-CG2 4.42Å; K19-D34 IonicContact NZ-OD1 2.64Å; K19-D34 PolarHBondContact NZ-OD1 3.38Å
20H91.1Very high91Very high107 Ų10763.7 Ų63.750%0.49536%0.355SS..SBendtrans-60-24.6168.4-73.4-72.3000113.8Y5 M17 I51 W52Y5-H20 AromaticContact CE1-CE1 3.92Å; Y5-H20 AromaticContact CE2-ND1 3.97Å; Y5-H20 AromaticContact CZ-CE1 3.46Å; Y5-H20 VanDerWaalsContact CZ-CE1 3.46Å; Y5-H20 AromaticContact CZ-ND1 3.7Å; Y5-H20 AromaticContact CZ-NE2 3.98Å; Y5-H20 PolarHBondContact OH-CE1 3.32Å; Y5-H20 PolarHBondContact OH-NE2 3.13Å; M17-H20 WeakPolarHBondContact CE-O 3.47Å; H20-I51 CarbonylContact O-C 3.51Å; H20-I51 VanDerWaalsContact O-CA 3.29Å; H20-I51 WeakPolarHBondContact O-CA 3.33Å; H20-I51 WeakPolarHBondContact O-CG1 3.4Å; H20-W52 AromaticContact ND1-CD1 3.81Å; H20-W52 PolarHBondContact O-N 3.26Å
21Q94.1Very high90.8Very high91 Ų9167 Ų6743%0.42537%0.366SS..EExtended strand (participates in β ladder)trans-138.8133.3-179.9-174.3176.2-12.300109.7K19 E49 I50 I51K19-Q21 WeakPolarHBondContact CB-O 3.43Å; K19-Q21 PolarHBondContact O-N 3.01Å; Q21-E49 HydrophobicContact CG-CG 4.33Å; Q21-E49 PolarHBondContact NE2-OE1 3.49Å; Q21-I50 WeakPolarHBondContact CA-O 3.49Å; Q21-I51 HydrophobicContact CB-CG1 4.27Å
22I94.9Very high91Very high9 Ų968 Ų685%0.04636%0.36CS..EExtended strand (participates in β ladder)trans-132.4144.7174.460.3173.1000110.9L8 M17 K19 I24 D34 I35 E49 I50L8-I22 HydrophobicContact CD1-CD1 4.1Å; L8-I22 HydrophobicContact CD2-CD1 3.93Å; M17-I22 HydrophobicContact CB-CD1 4.44Å; M17-I22 HydrophobicContact CE-CG1 4.16Å; M17-I22 HydrophobicContact CG-CD1 4.08Å; M17-I22 HydrophobicContact CG-CG1 4.44Å; M17-I22 HydrophobicContact CG-CG2 4.13Å; M17-I22 HydrophobicContact SD-CD1 3.72Å; M17-I22 HydrophobicContact SD-CG1 3.91Å; K19-I22 HydrophobicContact CB-CG2 4.06Å; K19-I22 HydrophobicContact CD-CG2 4.42Å; I22-I24 HydrophobicContact CD1-CD1 4.26Å; I22-I24 HydrophobicContact CD1-CG1 4.43Å; I22-D34 WeakPolarHBondContact CA-OD2 3.19Å; I22-D34 HydrophobicContact CB-CB 4.15Å; I22-D34 HydrophobicContact CG2-CB 4.33Å; I22-I35 HydrophobicContact CD1-CD1 4.21Å; I22-E49 WeakPolarHBondContact O-CA 3.18Å; I22-I50 HydrophobicContact CG1-CB 4Å; I22-I50 PolarHBondContact N-O 3.28Å; I22-I50 PolarHBondContact O-N 3.14Å
23T95.1Very high91.3Very high18 Ų1859 Ų5911%0.1132%0.322CS..EExtended strand (participates in β ladder)trans-111128.1174.9-51.90000110.1V33 D34 I35 Q46 L48T23-V33 HydrophobicContact CG2-CG1 4.26Å; T23-D34 PolarHBondContact N-OD2 3.47Å; T23-D34 PolarHBondContact O-N 3.12Å; T23-I35 PolarHBondContact O-N 2.59Å; T23-Q46 HydrophobicContact CG2-CB 3.58Å; T23-Q46 HydrophobicContact CG2-CG 3.61Å; T23-L48 WeakPolarHBondContact CA-O 3.42Å
24I95.2Very high91.6Very high0 Ų058.3 Ų58.30%032%0.316CS..EExtended strand (participates in β ladder)trans-118.6132.4-176.1-42.4-179000108.6L8 I22 I35 I37 H47 L48 I50 I98L8-I24 HydrophobicContact CD2-CD1 3.82Å; I22-I24 HydrophobicContact CD1-CD1 4.26Å; I22-I24 HydrophobicContact CD1-CG1 4.43Å; I24-I35 HydrophobicContact CB-CB 4.5Å; I24-I35 HydrophobicContact CD1-CD1 4.36Å; I24-I35 HydrophobicContact CG1-CB 4.37Å; I24-I35 HydrophobicContact CG1-CD1 4.42Å; I24-I35 HydrophobicContact CG2-CB 3.93Å; I24-I35 HydrophobicContact CG2-CG2 3.98Å; I24-I37 HydrophobicContact CG2-CD1 3.51Å; I24-I37 HydrophobicContact CG2-CG1 3.68Å; I24-H47 PolarHBondContact O-N 3.07Å; I24-L48 HydrophobicContact CB-CB 4.3Å; I24-L48 PolarHBondContact N-O 2.97Å; I24-L48 PolarHBondContact O-N 2.75Å; I24-I50 HydrophobicContact CD1-CD1 3.69Å; I24-I50 HydrophobicContact CD1-CG1 4.29Å; I24-I98 HydrophobicContact CG2-CD1 3.91Å
25G94.7Very high91.6Very high0 Ų054.8 Ų54.80%030%0.299CS..EExtended strand (participates in β ladder)trans168.5-163.2178.300000112.3I35 D36 I37G25-I35 PolarHBondContact N-O 2.98Å; G25-D36 WeakPolarHBondContact O-CA 3.27Å; G25-I37 PolarHBondContact O-N 3.16Å
26R93.4Very high91.6Very high66 Ų6655.8 Ų55.825%0.24931%0.308CS..  trans-82.2122.4173.3179.8169.464.5162.44.1110.9D36 G38 C39 V43 S44 R45R26-D36 WeakPolarHBondContact CA-OD1 3.47Å; R26-G38 WeakPolarHBondContact CB-O 3.31Å; R26-G38 WeakPolarHBondContact CD-O 3.4Å; R26-G38 VanDerWaalsContact CG-O 3.22Å; R26-G38 WeakPolarHBondContact CG-O 3.41Å; R26-C39 VanDerWaalsContact CD-C 3.46Å; R26-C39 VanDerWaalsContact CD-O 3.32Å; R26-C39 WeakPolarHBondContact CD-O 3.38Å; R26-C39 PolarHBondContact NH1-O 3.1Å; R26-V43 HydrophobicContact CB-CG1 4.41Å; R26-S44 PolarHBondContact N-O 3.2Å; R26-R45 WeakPolarHBondContact O-CA 3.41Å
27S91.2Very high91.5Very high51 Ų5153.6 Ų53.636%0.35730%0.297SS..  trans-67.3154.9178.9-164.50000113.2D36S27-D36 WeakPolarHBondContact CB-OD2 3.38Å; S27-D36 PolarHBondContact N-OD1 3.3Å
28S88Confident90.9Very high31 Ų3154.6 Ų54.622%0.21731%0.309CS..  trans-164.1159.8170.6610000111.2V30 Y31 R45S28-V30 PolarHBondContact O-N 3.11Å; S28-V30 VanDerWaalsContact O-N 3.1Å; S28-Y31 PolarHBondContact N-O 2.8Å; S28-Y31 VanDerWaalsContact N-O 3.09Å; S28-Y31 CarbonylContact O-C 3.48Å; S28-Y31 PolarHBondContact O-N 3.2Å; S28-Y31 VanDerWaalsContact O-N 3.07Å; S28-Y31 VanDerWaalsContact O-O 3.12Å; S28-Y31 WeakPolarHBondContact OG-CB 3.46Å; S28-Y31 PolarHBondContact OG-N 3.19Å; S28-Y31 VanDerWaalsContact OG-N 3.17Å; S28-Y31 PolarHBondContact OG-O 3.35Å; S28-R45 WeakPolarHBondContact OG-CD 3.38Å
29A86.4Confident90.6Very high116 Ų11657.2 Ų57.296%0.95933%0.328SS*.SBendtrans-58.6-24.9179.500000114.7
30V89.3Confident90.5Very high114 Ų11454.6 Ų54.669%0.69132%0.321SS*.SBendtrans-91.3-30.3176.9-175.40000112S28S28-V30 PolarHBondContact O-N 3.11Å; S28-V30 VanDerWaalsContact O-N 3.1Å
31Y86.2Confident90.4Very high110 Ų11053.9 Ų53.943%0.43133%0.328SS..SBendtrans-130.787.3-176.7-58.2-86.6000109.6S28 R45S28-Y31 PolarHBondContact N-O 2.8Å; S28-Y31 VanDerWaalsContact N-O 3.09Å; S28-Y31 CarbonylContact O-C 3.48Å; S28-Y31 PolarHBondContact O-N 3.2Å; S28-Y31 VanDerWaalsContact O-N 3.07Å; S28-Y31 VanDerWaalsContact O-O 3.12Å; S28-Y31 WeakPolarHBondContact OG-CB 3.46Å; S28-Y31 PolarHBondContact OG-N 3.19Å; S28-Y31 VanDerWaalsContact OG-N 3.17Å; S28-Y31 PolarHBondContact OG-O 3.35Å; Y31-R45 HydrophobicContact CD2-CB 4.39Å; Y31-R45 HydrophobicContact CG-CB 4.32Å
32P89.3Confident90.3Very high89 Ų8954 Ų5458%0.57833%0.326SS*.  trans-66.7157.4169.128.9-34.4000111Q46P32-Q46 PolarHBondContact O-NE2 2.88Å
33V93Very high90.2Very high25 Ų2553.6 Ų53.615%0.15232%0.323CS..  trans-137.9154.4177.1-680000108.4T23 I35 D36 Q46T23-V33 HydrophobicContact CG2-CG1 4.26Å; V33-I35 WeakPolarHBondContact CG2-O 3.39Å; V33-D36 HydrophobicContact CG2-CB 4Å; V33-Q46 HydrophobicContact CG1-CG 3.9Å
34D93.3Very high90.1Very high53 Ų5354.2 Ų54.228%0.28333%0.328SS..SBendtrans-77.6-34175.5-61.1-81.2000111.7K19 I22 T23K19-D34 IonicContact NZ-OD1 2.64Å; K19-D34 PolarHBondContact NZ-OD1 3.38Å; I22-D34 WeakPolarHBondContact CA-OD2 3.19Å; I22-D34 HydrophobicContact CB-CB 4.15Å; I22-D34 HydrophobicContact CG2-CB 4.33Å; T23-D34 PolarHBondContact N-OD2 3.47Å; T23-D34 PolarHBondContact O-N 3.12Å
35I92.8Very high90Very high6 Ų660.8 Ų60.83%0.03135%0.353CS..EExtended strand (participates in β ladder)trans-126.5113.1175.3-59.7176.6000107.9L8 Y15 I22 T23 I24 G25 V33L8-I35 HydrophobicContact CD2-CD1 4.18Å; Y15-I35 HydrophobicContact CD2-CD1 4.33Å; Y15-I35 HydrophobicContact CE2-CG2 4.25Å; Y15-I35 HydrophobicContact CG-CD1 4.24Å; I22-I35 HydrophobicContact CD1-CD1 4.21Å; T23-I35 PolarHBondContact O-N 2.59Å; I24-I35 HydrophobicContact CB-CB 4.5Å; I24-I35 HydrophobicContact CD1-CD1 4.36Å; I24-I35 HydrophobicContact CG1-CB 4.37Å; I24-I35 HydrophobicContact CG1-CD1 4.42Å; I24-I35 HydrophobicContact CG2-CB 3.93Å; I24-I35 HydrophobicContact CG2-CG2 3.98Å; G25-I35 PolarHBondContact N-O 2.98Å; V33-I35 WeakPolarHBondContact CG2-O 3.39Å
36D92.7Very high89.9Confident75 Ų7563.5 Ų63.540%0.40137%0.366SS..EExtended strand (participates in β ladder)trans-85.7121.2174.1-168.76.8000110.5G25 R26 S27 V33 G38G25-D36 WeakPolarHBondContact O-CA 3.27Å; R26-D36 WeakPolarHBondContact CA-OD1 3.47Å; S27-D36 WeakPolarHBondContact CB-OD2 3.38Å; S27-D36 PolarHBondContact N-OD1 3.3Å; V33-D36 HydrophobicContact CG2-CB 4Å; D36-G38 VanDerWaalsContact C-N 3.28Å; D36-G38 PolarHBondContact OD1-N 3.42Å
37I88.6Confident90Very high16 Ų1660.3 Ų60.38%0.08235%0.354CS..  trans-91.66.4177.4-26.5-178.1000111.8M10 I24 G25 V43 F91 I96 I98M10-I37 HydrophobicContact SD-CG2 3.88Å; I24-I37 HydrophobicContact CG2-CD1 3.51Å; I24-I37 HydrophobicContact CG2-CG1 3.68Å; G25-I37 PolarHBondContact O-N 3.16Å; I37-V43 HydrophobicContact CB-CG1 4.36Å; I37-V43 HydrophobicContact CD1-CG1 3.92Å; I37-V43 HydrophobicContact CG1-CG1 4.36Å; I37-F91 HydrophobicContact CD1-CD1 4.46Å; I37-F91 HydrophobicContact CD1-CD2 4.22Å; I37-F91 HydrophobicContact CD1-CE1 3.72Å; I37-F91 HydrophobicContact CD1-CE2 3.45Å; I37-F91 VanDerWaalsContact CD1-CE2 3.45Å; I37-F91 HydrophobicContact CD1-CZ 3.15Å; I37-I96 HydrophobicContact CG2-CB 4.47Å; I37-I96 HydrophobicContact CG2-CD1 3.98Å; I37-I96 HydrophobicContact CG2-CG2 3.54Å; I37-I98 HydrophobicContact CD1-CD1 4.42Å
38G81.4Confident90.2Very high24 Ų2457.9 Ų57.925%0.24734%0.337CS..  trans81.4-169.2174.100000114.5R26 D36 S40R26-G38 WeakPolarHBondContact CB-O 3.31Å; R26-G38 WeakPolarHBondContact CD-O 3.4Å; R26-G38 VanDerWaalsContact CG-O 3.22Å; R26-G38 WeakPolarHBondContact CG-O 3.41Å; D36-G38 VanDerWaalsContact C-N 3.28Å; D36-G38 PolarHBondContact OD1-N 3.42Å; G38-S40 VanDerWaalsContact C-N 3.29Å; G38-S40 PolarHBondContact O-N 2.83Å
39C82.3Confident90.5Very high111 Ų11157.3 Ų57.375%0.7533%0.33SS*.SBendtrans-72.1-8.1-154.5-630000117R26 S41R26-C39 VanDerWaalsContact CD-C 3.46Å; R26-C39 VanDerWaalsContact CD-O 3.32Å; R26-C39 WeakPolarHBondContact CD-O 3.38Å; R26-C39 PolarHBondContact NH1-O 3.1Å; C39-S41 PolarHBondContact O-N 3.07Å
40S88.5Confident90.9Very high35 Ų3551.8 Ų51.825%0.24529%0.285CS..  trans-52.6129.3-171.7-178.40000113.1G38 Y42 V43G38-S40 VanDerWaalsContact C-N 3.29Å; G38-S40 PolarHBondContact O-N 2.83Å; S40-Y42 VanDerWaalsContact C-N 3.27Å; S40-Y42 PolarHBondContact O-N 3.41Å; S40-Y42 PolarHBondContact OG-N 3.25Å; S40-V43 PolarHBondContact O-N 2.86Å
41S89Confident91.2Very high91 Ų9148.1 Ų48.164%0.63626%0.261SS*.THydrogen-bonded Turntrans-74.5-15.9175.251.50000113.7C39 V43C39-S41 PolarHBondContact O-N 3.07Å; S41-V43 VanDerWaalsContact C-N 3.28Å
42Y91.7Very high91.5Very high95 Ų9543.8 Ų43.837%0.37324%0.244SC..THydrogen-bonded Turntrans-77.7-15.8171-58.5-71.9000112.4S40 H47 N65 T94S40-Y42 VanDerWaalsContact C-N 3.27Å; S40-Y42 PolarHBondContact O-N 3.41Å; S40-Y42 PolarHBondContact OG-N 3.25Å; Y42-H47 PolarHBondContact O-CE1 2.8Å; Y42-N65 PolarHBondContact O-ND2 2.85Å; Y42-T94 HydrophobicContact CD2-CG2 4.46Å
43V93Very high91.4Very high0 Ų045.9 Ų45.90%024%0.244CC..SBendtrans-93.5122.9170.2-177.80000108.9R26 I37 S40 S41 H47 F91 T94 I96R26-V43 HydrophobicContact CB-CG1 4.41Å; I37-V43 HydrophobicContact CB-CG1 4.36Å; I37-V43 HydrophobicContact CD1-CG1 3.92Å; I37-V43 HydrophobicContact CG1-CG1 4.36Å; S40-V43 PolarHBondContact O-N 2.86Å; S41-V43 VanDerWaalsContact C-N 3.28Å; V43-H47 HydrophobicContact CG1-CB 4.11Å; V43-F91 HydrophobicContact CG2-CB 4.37Å; V43-F91 HydrophobicContact CG2-CD1 4.13Å; V43-F91 HydrophobicContact CG2-CG 4.25Å; V43-T94 HydrophobicContact CG2-CG2 4.45Å; V43-I96 HydrophobicContact CG2-CD1 4.33Å
44S93.3Very high91.1Very high30 Ų3049.1 Ų49.121%0.2126%0.264CS..PPolyproline II helixtrans-69.3153.4176.3-62.70000110.8R26 Q46 H47 G63R26-S44 PolarHBondContact N-O 3.2Å; S44-Q46 PolarHBondContact O-N 2.67Å; S44-H47 PolarHBondContact N-ND1 2.87Å; S44-H47 PolarHBondContact O-N 3.3Å; S44-G63 WeakPolarHBondContact OG-CA 3.39Å
45R91.5Very high90.7Very high139 Ų13950.4 Ų50.453%0.52527%0.271SS..THydrogen-bonded Turntrans-63.4127.5161-60.7177.7-175.5121.9-4106.6R26 S28 Y31R26-R45 WeakPolarHBondContact O-CA 3.41Å; S28-R45 WeakPolarHBondContact OG-CD 3.38Å; Y31-R45 HydrophobicContact CD2-CB 4.39Å; Y31-R45 HydrophobicContact CG-CB 4.32Å
46Q92.9Very high90.6Very high56 Ų5651.6 Ų51.626%0.26228%0.279SS..THydrogen-bonded Turntrans49.963.8-170.9-57.3-175.4-20.100112.4T23 P32 V33 S44 K62T23-Q46 HydrophobicContact CG2-CB 3.58Å; T23-Q46 HydrophobicContact CG2-CG 3.61Å; P32-Q46 PolarHBondContact O-NE2 2.88Å; V33-Q46 HydrophobicContact CG1-CG 3.9Å; S44-Q46 PolarHBondContact O-N 2.67Å; Q46-K62 VanDerWaalsContact O-CB 3.26Å; Q46-K62 WeakPolarHBondContact O-CB 3.47Å
47H94.9Very high90.6Very high0 Ų048 Ų480%026%0.26CS..  trans-72.5-42.1-174.7-161.1128.1000112.5I24 Y42 V43 S44 K62 G63 G66 F91I24-H47 PolarHBondContact O-N 3.07Å; Y42-H47 PolarHBondContact O-CE1 2.8Å; V43-H47 HydrophobicContact CG1-CB 4.11Å; S44-H47 PolarHBondContact N-ND1 2.87Å; S44-H47 PolarHBondContact O-N 3.3Å; H47-K62 CarbonylContact O-C 3.49Å; H47-K62 WeakPolarHBondContact O-CA 3.25Å; H47-K62 PolarHBondContact O-N 3.35Å; H47-G63 PolarHBondContact O-N 3.33Å; H47-G66 PolarHBondContact NE2-O 2.66Å; H47-F91 HydrophobicContact CB-CE1 4.09Å; H47-F91 AromaticContact CD2-CE1 3.78Å; H47-F91 AromaticContact CE1-CD1 3.99Å; H47-F91 AromaticContact CG-CE1 3.71Å; H47-F91 AromaticContact ND1-CD1 3.91Å; H47-F91 AromaticContact ND1-CE1 3.95Å
48L95.6Very high90.8Very high0 Ų049.5 Ų49.50%027%0.266CS..EExtended strand (participates in β ladder)trans-126.4151-178.9-56.1178.7000110.5T23 I24 L59 C61 I67 L89 F91T23-L48 WeakPolarHBondContact CA-O 3.42Å; I24-L48 HydrophobicContact CB-CB 4.3Å; I24-L48 PolarHBondContact N-O 2.97Å; I24-L48 PolarHBondContact O-N 2.75Å; L48-L59 HydrophobicContact CD1-CD1 4.36Å; L48-L59 HydrophobicContact CD2-CD2 4.3Å; L48-C61 HydrophobicContact CD2-CB 4.16Å; L48-I67 HydrophobicContact CD1-CD1 4.07Å; L48-I67 HydrophobicContact CD1-CG1 4.09Å; L48-I67 HydrophobicContact CD2-CB 3.98Å; L48-I67 HydrophobicContact CD2-CD1 4.46Å; L48-I67 HydrophobicContact CD2-CG1 4.05Å; L48-I67 HydrophobicContact CD2-CG2 4.06Å; L48-L89 HydrophobicContact CD1-CD1 3.8Å; L48-F91 HydrophobicContact CD1-CE1 3.98Å; L48-F91 HydrophobicContact CD1-CE2 4.47Å; L48-F91 HydrophobicContact CD1-CZ 3.52Å; L48-F91 HydrophobicContact CG-CE1 4.08Å; L48-F91 HydrophobicContact CG-CZ 4.06Å
49E95.5Very high91.5Very high18 Ų1848.5 Ų48.58%0.08426%0.255CS..EExtended strand (participates in β ladder)trans-129.5123.5169.9173.6167-103.800107.6Q21 I22 L59 K60 K62 F80Q21-E49 HydrophobicContact CG-CG 4.33Å; Q21-E49 PolarHBondContact NE2-OE1 3.49Å; I22-E49 WeakPolarHBondContact O-CA 3.18Å; E49-L59 WeakPolarHBondContact O-CA 3.44Å; E49-K60 HydrophobicContact CB-CB 4.36Å; E49-K60 PolarHBondContact N-O 3.37Å; E49-K60 PolarHBondContact O-N 3.31Å; E49-K62 HydrophobicContact CB-CD 4.37Å; E49-K62 IonicContact OE1-NZ 2.74Å; E49-K62 PolarHBondContact OE1-NZ 2.98Å; E49-K62 WeakPolarHBondContact OE2-CE 3.38Å; E49-K62 IonicContact OE2-NZ 3.2Å; E49-K62 PolarHBondContact OE2-NZ 3.4Å; E49-K62 VanDerWaalsContact OE2-NZ 3.07Å; E49-F80 HydrophobicContact CG-CE1 4.07Å; E49-F80 HydrophobicContact CG-CZ 4.17Å
50I95Very high92.1Very high1 Ų145.4 Ų45.41%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-115.9130179.1-54.8-174.6000107.7L8 M17 Q21 I22 I24 L57 K58 L59 L89 I100L8-I50 HydrophobicContact CD2-CD1 4.33Å; M17-I50 HydrophobicContact CE-CG2 4.34Å; M17-I50 HydrophobicContact SD-CG2 4.26Å; Q21-I50 WeakPolarHBondContact CA-O 3.49Å; I22-I50 HydrophobicContact CG1-CB 4Å; I22-I50 PolarHBondContact N-O 3.28Å; I22-I50 PolarHBondContact O-N 3.14Å; I24-I50 HydrophobicContact CD1-CD1 3.69Å; I24-I50 HydrophobicContact CD1-CG1 4.29Å; I50-L57 HydrophobicContact CG2-CD2 4.03Å; I50-K58 WeakPolarHBondContact CA-O 3.27Å; I50-L59 HydrophobicContact CD1-CD1 4.25Å; I50-L59 HydrophobicContact CG1-CD1 4.28Å; I50-L59 HydrophobicContact CG1-CG 4.38Å; I50-L89 HydrophobicContact CD1-CD1 4.26Å; I50-I100 HydrophobicContact CD1-CD1 3.39Å
51I94.6Very high92.4Very high36 Ų3643.8 Ų43.819%0.18522%0.217CC..EExtended strand (participates in β ladder)trans-128.2137.1-179.2-165.9171.1000110.7H20 Q21 K58 F80H20-I51 CarbonylContact O-C 3.51Å; H20-I51 VanDerWaalsContact O-CA 3.29Å; H20-I51 WeakPolarHBondContact O-CA 3.33Å; H20-I51 WeakPolarHBondContact O-CG1 3.4Å; Q21-I51 HydrophobicContact CB-CG1 4.27Å; I51-K58 HydrophobicContact CG2-CB 3.96Å; I51-K58 PolarHBondContact N-O 3.47Å; I51-K58 PolarHBondContact O-N 3.09Å; I51-F80 HydrophobicContact CB-CE1 4.17Å; I51-F80 HydrophobicContact CG2-CD1 3.61Å; I51-F80 HydrophobicContact CG2-CE1 3.47Å; I51-F80 VanDerWaalsContact CG2-CE1 3.47Å; I51-F80 HydrophobicContact CG2-CG 4.37Å; I51-F80 HydrophobicContact CG2-CZ 4.13Å
52W92.2Very high92.6Very high20 Ų2042.4 Ų42.48%0.07620%0.2CC..EExtended strand (participates in β ladder)trans-85115.9166.1-176.5-95000109.3Y5 M17 H20 D55 L57 Q102 F104Y5-W52 HydrophobicContact CD1-CB 4.24Å; Y5-W52 AromaticContact CD1-CD1 3.65Å; Y5-W52 AromaticContact CD1-CD2 3.58Å; Y5-W52 HydrophobicContact CD1-CD2 3.58Å; Y5-W52 AromaticContact CD1-CE2 3.67Å; Y5-W52 HydrophobicContact CD1-CE3 4.25Å; Y5-W52 AromaticContact CD1-CG 3.54Å; Y5-W52 HydrophobicContact CD1-CG 3.54Å; Y5-W52 HydrophobicContact CD1-CZ2 4.36Å; Y5-W52 AromaticContact CD1-NE1 3.71Å; Y5-W52 AromaticContact CE1-CD1 3.84Å; Y5-W52 HydrophobicContact CE1-CD2 4.48Å; Y5-W52 HydrophobicContact CE1-CG 4.16Å; Y5-W52 AromaticContact CE1-NE1 3.94Å; Y5-W52 HydrophobicContact CG-CB 4.11Å; Y5-W52 HydrophobicContact CG-CD2 4Å; Y5-W52 HydrophobicContact CG-CE3 4.38Å; Y5-W52 AromaticContact CG-CG 3.88Å; Y5-W52 HydrophobicContact CG-CG 3.88Å; M17-W52 HydrophobicContact CE-CB 4.48Å; H20-W52 AromaticContact ND1-CD1 3.81Å; H20-W52 PolarHBondContact O-N 3.26Å; W52-D55 WeakPolarHBondContact CH2-O 3.49Å; W52-D55 VanDerWaalsContact CZ2-CA 3.49Å; W52-D55 HydrophobicContact CZ2-CB 4.12Å; W52-L57 HydrophobicContact CE3-CD2 3.8Å; W52-L57 HydrophobicContact CE3-CG 4.02Å; W52-L57 HydrophobicContact CZ3-CD2 4.32Å; W52-L57 HydrophobicContact CZ3-CG 4.09Å; W52-Q102 HydrophobicContact CH2-CG 3.96Å; W52-Q102 VanDerWaalsContact CZ3-CD 3.46Å; W52-Q102 HydrophobicContact CZ3-CG 3.74Å; W52-F104 HydrophobicContact CH2-CB 3.83Å; W52-F104 HydrophobicContact CH2-CD1 4.18Å; W52-F104 HydrophobicContact CH2-CG 4.47Å; W52-F104 HydrophobicContact CZ2-CB 3.98Å; W52-F104 AromaticContact CZ2-CD1 3.71Å; W52-F104 HydrophobicContact CZ2-CD1 3.71Å; W52-F104 HydrophobicContact CZ2-CG 4.19Å
53K88.4Confident92.6Very high132 Ų13237.9 Ų37.957%0.57418%0.182SC*.EExtended strand (participates in β ladder)trans-154.3133.7176.3-178.2172.5-178.5179.10110.8D55 C56 K58K53-D55 VanDerWaalsContact C-N 3.34Å; K53-C56 PolarHBondContact N-O 2.75Å; K53-K58 WeakPolarHBondContact O-CE 3.37Å; K53-K58 PolarHBondContact O-NZ 3.3Å
54T86.1Confident92.5Very high94 Ų9446.9 Ų46.958%0.57722%0.221SC*.THydrogen-bonded Turntrans49.855.1-174.863.20000111C56 K58T54-C56 PolarHBondContact O-N 3.25Å; T54-C56 PolarHBondContact O-SG 3.19Å; T54-K58 PolarHBondContact OG1-NZ 3.46Å
55D84.6Confident92.4Very high80 Ų8048.7 Ų48.743%0.42823%0.229SC..THydrogen-bonded Turntrans51.924172-52.4-58.2000117.7W52 K53 Q102W52-D55 WeakPolarHBondContact CH2-O 3.49Å; W52-D55 VanDerWaalsContact CZ2-CA 3.49Å; W52-D55 HydrophobicContact CZ2-CB 4.12Å; K53-D55 VanDerWaalsContact C-N 3.34Å; D55-Q102 PolarHBondContact O-NE2 3.21Å
56C90.1Very high92.5Very high30 Ų3042.1 Ų42.120%0.20320%0.204CC..EExtended strand (participates in β ladder)trans-138.6156169.848.80000111.6K53 T54 K58K53-C56 PolarHBondContact N-O 2.75Å; T54-C56 PolarHBondContact O-N 3.25Å; T54-C56 PolarHBondContact O-SG 3.19Å; C56-K58 WeakPolarHBondContact SG-CE 3.44Å
57L92.7Very high92.7Very high0 Ų039.4 Ų39.40%019%0.191CC..EExtended strand (participates in β ladder)trans-76.9133.8171.9-67.8165.9000110.9A6 M17 I50 W52 I83 I100 Q102A6-L57 HydrophobicContact CB-CD1 3.76Å; A6-L57 HydrophobicContact CB-CD2 3.97Å; A6-L57 HydrophobicContact CB-CG 4.45Å; M17-L57 HydrophobicContact CE-CD2 4.45Å; M17-L57 HydrophobicContact SD-CD2 4.1Å; I50-L57 HydrophobicContact CG2-CD2 4.03Å; W52-L57 HydrophobicContact CE3-CD2 3.8Å; W52-L57 HydrophobicContact CE3-CG 4.02Å; W52-L57 HydrophobicContact CZ3-CD2 4.32Å; W52-L57 HydrophobicContact CZ3-CG 4.09Å; L57-I83 HydrophobicContact CB-CD1 3.87Å; L57-I83 HydrophobicContact CB-CG1 3.65Å; L57-I83 HydrophobicContact CD1-CD1 4.47Å; L57-I83 WeakPolarHBondContact O-CG1 3.46Å; L57-I83 PolarHBondContact O-N 3.48Å; L57-I83 VanDerWaalsContact O-N 3.07Å; L57-I100 HydrophobicContact CD1-CG2 3.75Å; L57-Q102 HydrophobicContact CD1-CB 3.94Å
58K94Very high92.7Very high48 Ų4841.6 Ų41.621%0.20920%0.201CC..EExtended strand (participates in β ladder)trans-127.4131.3176.9-55.5-175.2178.5173.80109.9I50 I51 K53 T54 C56 F80 L81I50-K58 WeakPolarHBondContact CA-O 3.27Å; I51-K58 HydrophobicContact CG2-CB 3.96Å; I51-K58 PolarHBondContact N-O 3.47Å; I51-K58 PolarHBondContact O-N 3.09Å; K53-K58 WeakPolarHBondContact O-CE 3.37Å; K53-K58 PolarHBondContact O-NZ 3.3Å; T54-K58 PolarHBondContact OG1-NZ 3.46Å; C56-K58 WeakPolarHBondContact SG-CE 3.44Å; K58-F80 HydrophobicContact CB-CB 4.17Å; K58-F80 HydrophobicContact CB-CD1 4.33Å; K58-L81 CarbonylContact C-O 3.56Å; K58-L81 VanDerWaalsContact CA-O 3.27Å; K58-L81 WeakPolarHBondContact CA-O 3.19Å
59L94.7Very high92.7Very high2 Ų242.2 Ų42.21%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-115.4137.9-172.9179.4151.6000110.8L48 E49 I50 I67 I69 L81 I83 L89L48-L59 HydrophobicContact CD1-CD1 4.36Å; L48-L59 HydrophobicContact CD2-CD2 4.3Å; E49-L59 WeakPolarHBondContact O-CA 3.44Å; I50-L59 HydrophobicContact CD1-CD1 4.25Å; I50-L59 HydrophobicContact CG1-CD1 4.28Å; I50-L59 HydrophobicContact CG1-CG 4.38Å; L59-I67 HydrophobicContact CD2-CG2 4.27Å; L59-I69 HydrophobicContact CD2-CD1 4.21Å; L59-L81 PolarHBondContact N-O 2.94Å; L59-L81 PolarHBondContact O-N 3Å; L59-I83 HydrophobicContact CB-CD1 4.37Å; L59-I83 HydrophobicContact CB-CG2 3.74Å; L59-I83 HydrophobicContact CD1-CG2 4.42Å; L59-L89 HydrophobicContact CD1-CD1 3.55Å; L59-L89 HydrophobicContact CD1-CD2 3.72Å; L59-L89 HydrophobicContact CD1-CG 4.32Å
60K95.2Very high92.5Very high47 Ų4744.8 Ų44.820%0.20422%0.218CC..EExtended strand (participates in β ladder)trans-124.1121.6174.6172.8167.1173164.50110.5E49 K62 S78 F80E49-K60 HydrophobicContact CB-CB 4.36Å; E49-K60 PolarHBondContact N-O 3.37Å; E49-K60 PolarHBondContact O-N 3.31Å; K60-K62 HydrophobicContact CG-CG 4.41Å; K60-K62 PolarHBondContact O-N 2.92Å; K60-S78 WeakPolarHBondContact CE-O 3.47Å; K60-S78 PolarHBondContact NZ-O 3.37Å; K60-F80 HydrophobicContact CB-CD1 3.55Å; K60-F80 HydrophobicContact CB-CE1 3.52Å; K60-F80 HydrophobicContact CB-CG 4.09Å; K60-F80 HydrophobicContact CB-CZ 4.05Å; K60-F80 HydrophobicContact CD-CD1 4.46Å; K60-F80 HydrophobicContact CD-CD2 4.14Å; K60-F80 HydrophobicContact CD-CE1 4.12Å; K60-F80 HydrophobicContact CD-CE2 3.78Å; K60-F80 HydrophobicContact CD-CG 4.47Å; K60-F80 HydrophobicContact CD-CZ 3.76Å; K60-F80 HydrophobicContact CG-CE1 4.5Å
61C95.1Very high92.2Very high1 Ų151.1 Ų51.11%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-89.398.2179.5-1710000111.1L48 I67 Y76 S77L48-C61 HydrophobicContact CD2-CB 4.16Å; C61-I67 HydrophobicContact CB-CG2 4.09Å; C61-Y76 WeakPolarHBondContact O-CA 3.36Å; C61-Y76 VanDerWaalsContact O-CD2 3.3Å; C61-Y76 WeakPolarHBondContact O-CD2 3.42Å; C61-S77 PolarHBondContact O-N 2.89Å
62K93.5Very high92.2Very high62 Ų6255.4 Ų55.427%0.2727%0.27SS..  trans-81.3-19175.1-67.4178.3-179173.50113.3Q46 H47 E49 K60 Y76Q46-K62 VanDerWaalsContact O-CB 3.26Å; Q46-K62 WeakPolarHBondContact O-CB 3.47Å; H47-K62 CarbonylContact O-C 3.49Å; H47-K62 WeakPolarHBondContact O-CA 3.25Å; H47-K62 PolarHBondContact O-N 3.35Å; E49-K62 HydrophobicContact CB-CD 4.37Å; E49-K62 IonicContact OE1-NZ 2.74Å; E49-K62 PolarHBondContact OE1-NZ 2.98Å; E49-K62 WeakPolarHBondContact OE2-CE 3.38Å; E49-K62 IonicContact OE2-NZ 3.2Å; E49-K62 PolarHBondContact OE2-NZ 3.4Å; E49-K62 VanDerWaalsContact OE2-NZ 3.07Å; K60-K62 HydrophobicContact CG-CG 4.41Å; K60-K62 PolarHBondContact O-N 2.92Å; K62-Y76 VanDerWaalsContact O-CD2 3.31Å; K62-Y76 WeakPolarHBondContact O-CD2 3.34Å; K62-Y76 WeakPolarHBondContact O-CE2 3.18Å
63G91.9Very high92.2Very high0 Ų059.2 Ų59.20%029%0.287CS..SBendtrans-78.8133.4-178.700000113.9S44 H47 N65 G66S44-G63 WeakPolarHBondContact OG-CA 3.39Å; H47-G63 PolarHBondContact O-N 3.33Å; G63-N65 PolarHBondContact O-N 3.15Å; G63-N65 VanDerWaalsContact O-N 3.12Å; G63-G66 PolarHBondContact O-N 2.75Å; G63-G66 VanDerWaalsContact O-N 3.15Å
64K90.2Very high92.5Very high189 Ų18955.2 Ų55.282%0.82227%0.27SS*.THydrogen-bonded Turntrans-60.6-22.9-177-68.4-171.9176.3-171.90114.9G66K64-G66 VanDerWaalsContact C-N 3.34Å
65N92.6Very high92.8Very high68 Ų6853.8 Ų53.836%0.36426%0.263SS..THydrogen-bonded Turntrans-84-7.4-178.4-65.4-25.2000113.5Y42 G63 F73 P92Y42-N65 PolarHBondContact O-ND2 2.85Å; G63-N65 PolarHBondContact O-N 3.15Å; G63-N65 VanDerWaalsContact O-N 3.12Å; N65-F73 WeakPolarHBondContact O-CE2 3.09Å; N65-F73 WeakPolarHBondContact O-CZ 3.45Å; N65-P92 WeakPolarHBondContact O-CG 3.12Å
66G93.4Very high93.2Very high0 Ų056.5 Ų56.50%027%0.268CS..  trans73.7-172.2-170.700000113.5H47 G63 K64 Q74 P92H47-G66 PolarHBondContact NE2-O 2.66Å; G63-G66 PolarHBondContact O-N 2.75Å; G63-G66 VanDerWaalsContact O-N 3.15Å; K64-G66 VanDerWaalsContact C-N 3.34Å; G66-Q74 CarbonylContact C-O 3.55Å; G66-Q74 WeakPolarHBondContact CA-O 3.35Å; G66-P92 WeakPolarHBondContact O-CD 3.41Å
67I95.6Very high93.2Very high0 Ų056.4 Ų56.40%027%0.268CS..EExtended strand (participates in β ladder)trans-145141.8179.5-17063.2000108.4L48 L59 C61 I69 Q74 L89 F91L48-I67 HydrophobicContact CD1-CD1 4.07Å; L48-I67 HydrophobicContact CD1-CG1 4.09Å; L48-I67 HydrophobicContact CD2-CB 3.98Å; L48-I67 HydrophobicContact CD2-CD1 4.46Å; L48-I67 HydrophobicContact CD2-CG1 4.05Å; L48-I67 HydrophobicContact CD2-CG2 4.06Å; L59-I67 HydrophobicContact CD2-CG2 4.27Å; C61-I67 HydrophobicContact CB-CG2 4.09Å; I67-I69 HydrophobicContact CG2-CD1 4.45Å; I67-I69 HydrophobicContact CG2-CG1 4.17Å; I67-Q74 HydrophobicContact CG2-CB 3.93Å; I67-Q74 HydrophobicContact CG2-CG 4.35Å; I67-Q74 PolarHBondContact N-O 3.4Å; I67-Q74 PolarHBondContact O-N 2.8Å; I67-L89 HydrophobicContact CD1-CB 4.34Å; I67-L89 HydrophobicContact CG1-CB 4.32Å; I67-F91 HydrophobicContact CD1-CD1 3.67Å; I67-F91 HydrophobicContact CD1-CD2 4.06Å; I67-F91 HydrophobicContact CD1-CE1 3.66Å; I67-F91 HydrophobicContact CD1-CE2 4.03Å; I67-F91 HydrophobicContact CD1-CG 3.87Å; I67-F91 HydrophobicContact CD1-CZ 3.83Å
68F95.4Very high92.9Very high45 Ų4560.2 Ų60.220%0.19729%0.294CS..EExtended strand (participates in β ladder)trans-87.5133.7165.7-68.5-86.4000109.1Q71 I72 F73 L89 R90 P92F68-Q71 WeakPolarHBondContact CD1-O 3.35Å; F68-I72 CarbonylContact C-O 3.52Å; F68-I72 VanDerWaalsContact CA-O 3.29Å; F68-I72 WeakPolarHBondContact CA-O 3.4Å; F68-F73 HydrophobicContact CD1-CB 3.95Å; F68-F73 HydrophobicContact CD1-CD2 4.2Å; F68-F73 HydrophobicContact CD2-CD2 4.4Å; F68-F73 HydrophobicContact CE1-CB 3.75Å; F68-F73 AromaticContact CE1-CD2 3.94Å; F68-F73 HydrophobicContact CE1-CD2 3.94Å; F68-F73 HydrophobicContact CE1-CG 4.29Å; F68-F73 HydrophobicContact CE2-CD2 4.14Å; F68-F73 HydrophobicContact CG-CD2 4.44Å; F68-F73 HydrophobicContact CZ-CB 4.48Å; F68-F73 AromaticContact CZ-CD2 3.9Å; F68-F73 HydrophobicContact CZ-CD2 3.9Å; F68-L89 CarbonylContact O-C 3.56Å; F68-L89 VanDerWaalsContact O-CA 3.27Å; F68-L89 WeakPolarHBondContact O-CA 2.85Å; F68-R90 HydrophobicContact CB-CB 4.2Å; F68-R90 WeakPolarHBondContact CB-O 3.28Å; F68-R90 PolarHBondContact N-O 3.34Å; F68-R90 PolarHBondContact O-N 2.97Å; F68-P92 HydrophobicContact CD2-CB 4.48Å; F68-P92 HydrophobicContact CD2-CG 3.86Å; F68-P92 HydrophobicContact CE2-CB 4.04Å; F68-P92 HydrophobicContact CE2-CG 3.8Å
69I95.4Very high92.7Very high14 Ų1464.8 Ų64.87%0.07232%0.316CS..EExtended strand (participates in β ladder)trans-119.4112.4172.1-47-179.2000105.5L59 I67 Q71 I72 Q74 L81 I83 C87 L89L59-I69 HydrophobicContact CD2-CD1 4.21Å; I67-I69 HydrophobicContact CG2-CD1 4.45Å; I67-I69 HydrophobicContact CG2-CG1 4.17Å; I69-Q71 PolarHBondContact O-N 3.18Å; I69-Q71 VanDerWaalsContact O-N 3.17Å; I69-I72 PolarHBondContact N-O 2.76Å; I69-I72 WeakPolarHBondContact O-CA 3.2Å; I69-I72 WeakPolarHBondContact O-CB 3.36Å; I69-I72 PolarHBondContact O-N 3.36Å; I69-Q74 HydrophobicContact CD1-CB 4.05Å; I69-Q74 HydrophobicContact CD1-CG 4.38Å; I69-Q74 HydrophobicContact CG1-CB 4.31Å; I69-L81 HydrophobicContact CD1-CD2 3.92Å; I69-I83 HydrophobicContact CD1-CG2 4.09Å; I69-I83 HydrophobicContact CG2-CG2 4.46Å; I69-C87 HydrophobicContact CG2-CB 4.27Å; I69-L89 HydrophobicContact CB-CD2 4.27Å; I69-L89 HydrophobicContact CD1-CD2 4.47Å; I69-L89 HydrophobicContact CG1-CD2 3.84Å; I69-L89 HydrophobicContact CG2-CD2 4.02Å
70D92.2Very high92.6Very high71 Ų7168.7 Ų68.738%0.3833%0.334SS..THydrogen-bonded Turntrans48.946-177.2-56.1-46.6000113.1I72 C87 V88D70-I72 PolarHBondContact O-N 3.06Å; D70-I72 VanDerWaalsContact O-N 3.14Å; D70-C87 WeakPolarHBondContact OD1-CA 3.49Å; D70-C87 WeakPolarHBondContact OD2-CA 3.43Å; D70-C87 WeakPolarHBondContact OD2-CB 3.32Å; D70-V88 PolarHBondContact N-O 2.89Å; D70-V88 PolarHBondContact OD1-N 3.37Å
71Q88.9Confident92.4Very high134 Ų13470 Ų7063%0.62634%0.343SS*.THydrogen-bonded Turntrans67.7-9.8-174.1-46.7-7330.300116.6F68 I69F68-Q71 WeakPolarHBondContact CD1-O 3.35Å; I69-Q71 PolarHBondContact O-N 3.18Å; I69-Q71 VanDerWaalsContact O-N 3.17Å
72I93Very high92.3Very high127 Ų12773 Ų7365%0.65136%0.364SS*.EExtended strand (participates in β ladder)trans-74.1128.8171.4-58.4173.7000108.9F68 I69 D70 Q74F68-I72 CarbonylContact C-O 3.52Å; F68-I72 VanDerWaalsContact CA-O 3.29Å; F68-I72 WeakPolarHBondContact CA-O 3.4Å; I69-I72 PolarHBondContact N-O 2.76Å; I69-I72 WeakPolarHBondContact O-CA 3.2Å; I69-I72 WeakPolarHBondContact O-CB 3.36Å; I69-I72 PolarHBondContact O-N 3.36Å; D70-I72 PolarHBondContact O-N 3.06Å; D70-I72 VanDerWaalsContact O-N 3.14Å; I72-Q74 PolarHBondContact O-N 2.78Å
73F94.2Very high92.3Very high100 Ų10070.5 Ų70.544%0.43935%0.353SS..EExtended strand (participates in β ladder)trans-84.1111.2179.4-179.6-103.5000111.8N65 F68 P75 P92N65-F73 WeakPolarHBondContact O-CE2 3.09Å; N65-F73 WeakPolarHBondContact O-CZ 3.45Å; F68-F73 HydrophobicContact CD1-CB 3.95Å; F68-F73 HydrophobicContact CD1-CD2 4.2Å; F68-F73 HydrophobicContact CD2-CD2 4.4Å; F68-F73 HydrophobicContact CE1-CB 3.75Å; F68-F73 AromaticContact CE1-CD2 3.94Å; F68-F73 HydrophobicContact CE1-CD2 3.94Å; F68-F73 HydrophobicContact CE1-CG 4.29Å; F68-F73 HydrophobicContact CE2-CD2 4.14Å; F68-F73 HydrophobicContact CG-CD2 4.44Å; F68-F73 HydrophobicContact CZ-CB 4.48Å; F68-F73 AromaticContact CZ-CD2 3.9Å; F68-F73 HydrophobicContact CZ-CD2 3.9Å; F73-P75 HydrophobicContact CE1-CB 4.02Å; F73-P75 WeakPolarHBondContact O-CD 3.43Å; F73-P92 HydrophobicContact CD2-CG 4.47Å; F73-P92 HydrophobicContact CE2-CG 3.92Å
74Q93Very high92.2Very high47 Ų4773.4 Ų73.422%0.2237%0.372CS..EExtended strand (participates in β ladder)trans-94.8113.5171.6-178.655.94400109.8G66 I67 I69 I72 L81G66-Q74 CarbonylContact C-O 3.55Å; G66-Q74 WeakPolarHBondContact CA-O 3.35Å; I67-Q74 HydrophobicContact CG2-CB 3.93Å; I67-Q74 HydrophobicContact CG2-CG 4.35Å; I67-Q74 PolarHBondContact N-O 3.4Å; I67-Q74 PolarHBondContact O-N 2.8Å; I69-Q74 HydrophobicContact CD1-CB 4.05Å; I69-Q74 HydrophobicContact CD1-CG 4.38Å; I69-Q74 HydrophobicContact CG1-CB 4.31Å; I72-Q74 PolarHBondContact O-N 2.78Å; Q74-L81 HydrophobicContact CG-CD2 4.19Å
75P93.4Very high92.2Very high65 Ų6568.2 Ų68.242%0.42236%0.357SS..  trans-69.3174.4175.130-36.2000112F73 S77F73-P75 HydrophobicContact CE1-CB 4.02Å; F73-P75 WeakPolarHBondContact O-CD 3.43Å; P75-S77 PolarHBondContact O-N 2.91Å
76Y93.1Very high92.3Very high136 Ų13668.4 Ų68.453%0.53336%0.364SS..  trans-46.7132.6165.3169.6-95.1000110.9C61 K62C61-Y76 WeakPolarHBondContact O-CA 3.36Å; C61-Y76 VanDerWaalsContact O-CD2 3.3Å; C61-Y76 WeakPolarHBondContact O-CD2 3.42Å; K62-Y76 VanDerWaalsContact O-CD2 3.31Å; K62-Y76 WeakPolarHBondContact O-CD2 3.34Å; K62-Y76 WeakPolarHBondContact O-CE2 3.18Å
77S89.5Confident92.4Very high28 Ų2868.5 Ų68.520%0.19636%0.364CS..  trans-144.1141.8178.3-174.90000112C61 P75 Q79C61-S77 PolarHBondContact O-N 2.89Å; P75-S77 PolarHBondContact O-N 2.91Å; S77-Q79 VanDerWaalsContact C-N 3.32Å; S77-Q79 PolarHBondContact OG-N 3.46Å; S77-Q79 VanDerWaalsContact OG-N 3.1Å
78S86.2Confident92.4Very high80 Ų8071.4 Ų71.456%0.55938%0.382SS*.SBendtrans-77.2-20.5169.155.80000112.6K60K60-S78 WeakPolarHBondContact CE-O 3.47Å; K60-S78 PolarHBondContact NZ-O 3.37Å
79Q90.1Very high92.4Very high144 Ų14469.3 Ų69.367%0.67337%0.373SS*.SBendtrans-92.5162.6-177.4-64.9179.6-13.600112.1S77S77-Q79 VanDerWaalsContact C-N 3.32Å; S77-Q79 PolarHBondContact OG-N 3.46Å; S77-Q79 VanDerWaalsContact OG-N 3.1Å
80F92.2Very high92.4Very high85 Ų8573 Ų7337%0.37339%0.386SS..PPolyproline II helixtrans-95.7122.8172.3-77-85.2000109.9E49 I51 K58 K60E49-F80 HydrophobicContact CG-CE1 4.07Å; E49-F80 HydrophobicContact CG-CZ 4.17Å; I51-F80 HydrophobicContact CB-CE1 4.17Å; I51-F80 HydrophobicContact CG2-CD1 3.61Å; I51-F80 HydrophobicContact CG2-CE1 3.47Å; I51-F80 VanDerWaalsContact CG2-CE1 3.47Å; I51-F80 HydrophobicContact CG2-CG 4.37Å; I51-F80 HydrophobicContact CG2-CZ 4.13Å; K58-F80 HydrophobicContact CB-CB 4.17Å; K58-F80 HydrophobicContact CB-CD1 4.33Å; K60-F80 HydrophobicContact CB-CD1 3.55Å; K60-F80 HydrophobicContact CB-CE1 3.52Å; K60-F80 HydrophobicContact CB-CG 4.09Å; K60-F80 HydrophobicContact CB-CZ 4.05Å; K60-F80 HydrophobicContact CD-CD1 4.46Å; K60-F80 HydrophobicContact CD-CD2 4.14Å; K60-F80 HydrophobicContact CD-CE1 4.12Å; K60-F80 HydrophobicContact CD-CE2 3.78Å; K60-F80 HydrophobicContact CD-CG 4.47Å; K60-F80 HydrophobicContact CD-CZ 3.76Å; K60-F80 HydrophobicContact CG-CE1 4.5Å
81L92.6Very high92.5Very high75 Ų7569.6 Ų69.639%0.39337%0.368SS..EExtended strand (participates in β ladder)trans-91135.2172.2177.162.9000109.2K58 L59 I69 Q74K58-L81 CarbonylContact C-O 3.56Å; K58-L81 VanDerWaalsContact CA-O 3.27Å; K58-L81 WeakPolarHBondContact CA-O 3.19Å; L59-L81 PolarHBondContact N-O 2.94Å; L59-L81 PolarHBondContact O-N 3Å; I69-L81 HydrophobicContact CD1-CD2 3.92Å; Q74-L81 HydrophobicContact CG-CD2 4.19Å
82S92.4Very high92.7Very high64 Ų6464 Ų6445%0.44834%0.343SS..EExtended strand (participates in β ladder)trans-72.7130.7169.5-143.80000109.3
83I92.7Very high92.6Very high9 Ų962.5 Ų62.55%0.04634%0.344CS..PPolyproline II helixtrans-103.7154.3176.957.6173.6000110.7L57 L59 I69L57-I83 HydrophobicContact CB-CD1 3.87Å; L57-I83 HydrophobicContact CB-CG1 3.65Å; L57-I83 HydrophobicContact CD1-CD1 4.47Å; L57-I83 WeakPolarHBondContact O-CG1 3.46Å; L57-I83 PolarHBondContact O-N 3.48Å; L57-I83 VanDerWaalsContact O-N 3.07Å; L59-I83 HydrophobicContact CB-CD1 4.37Å; L59-I83 HydrophobicContact CB-CG2 3.74Å; L59-I83 HydrophobicContact CD1-CG2 4.42Å; I69-I83 HydrophobicContact CD1-CG2 4.09Å; I69-I83 HydrophobicContact CG2-CG2 4.46Å
84P91.2Very high92.5Very high60 Ų6059.3 Ų59.339%0.3933%0.333SS..PPolyproline II helixtrans-60.4157.6176.2-22.833.8000112.7S86 C87P84-S86 PolarHBondContact O-N 3.07Å; P84-S86 VanDerWaalsContact O-N 3.11Å; P84-C87 HydrophobicContact CB-CB 4.5Å; P84-C87 HydrophobicContact CG-CB 4.42Å
85P90.2Very high92.4Very high81 Ų8162.8 Ų62.853%0.52636%0.362SS..SBendtrans-59.5-19.8175-25.735.6000114.5E101 Q102P85-E101 CarbonylContact O-C 3.5Å; P85-E101 WeakPolarHBondContact O-CA 3.47Å; P85-Q102 HydrophobicContact CB-CB 4.1Å; P85-Q102 WeakPolarHBondContact O-CB 3.2Å; P85-Q102 PolarHBondContact O-N 3.49Å
86S93.5Very high92.3Very high71 Ų7161.5 Ų61.550%0.49735%0.351SS..EExtended strand (participates in β ladder)trans-140.2124.7168.5-1740000109P84 I100P84-S86 PolarHBondContact O-N 3.07Å; P84-S86 VanDerWaalsContact O-N 3.11Å; S86-I100 WeakPolarHBondContact CA-O 3.48Å
87C95Very high92.3Very high2 Ų257.9 Ų57.91%0.01435%0.346CS..EExtended strand (participates in β ladder)trans-154.3156.3-176.866.40000112.4I69 D70 P84 I100I69-C87 HydrophobicContact CG2-CB 4.27Å; D70-C87 WeakPolarHBondContact OD1-CA 3.49Å; D70-C87 WeakPolarHBondContact OD2-CA 3.43Å; D70-C87 WeakPolarHBondContact OD2-CB 3.32Å; P84-C87 HydrophobicContact CB-CB 4.5Å; P84-C87 HydrophobicContact CG-CB 4.42Å; C87-I100 PolarHBondContact N-O 2.91Å; C87-I100 PolarHBondContact O-N 3.41Å
88V95.6Very high92.6Very high62 Ų6256.7 Ų56.738%0.37634%0.337SS..EExtended strand (participates in β ladder)trans-110.8115.4176-177.20000110.7D70 C97 Q99D70-V88 PolarHBondContact N-O 2.89Å; D70-V88 PolarHBondContact OD1-N 3.37Å; V88-C97 HydrophobicContact CG1-CB 4.17Å; V88-Q99 HydrophobicContact CG2-CB 4.42Å; V88-Q99 HydrophobicContact CG2-CG 4.35Å
89L96Very high93Very high0 Ų057.3 Ų57.30%033%0.331CS..EExtended strand (participates in β ladder)trans-86.4130.8170.8-53.3-174.5000110L48 I50 L59 I67 F68 I69 C97 I98 I100L48-L89 HydrophobicContact CD1-CD1 3.8Å; I50-L89 HydrophobicContact CD1-CD1 4.26Å; L59-L89 HydrophobicContact CD1-CD1 3.55Å; L59-L89 HydrophobicContact CD1-CD2 3.72Å; L59-L89 HydrophobicContact CD1-CG 4.32Å; I67-L89 HydrophobicContact CD1-CB 4.34Å; I67-L89 HydrophobicContact CG1-CB 4.32Å; F68-L89 CarbonylContact O-C 3.56Å; F68-L89 VanDerWaalsContact O-CA 3.27Å; F68-L89 WeakPolarHBondContact O-CA 2.85Å; I69-L89 HydrophobicContact CB-CD2 4.27Å; I69-L89 HydrophobicContact CD1-CD2 4.47Å; I69-L89 HydrophobicContact CG1-CD2 3.84Å; I69-L89 HydrophobicContact CG2-CD2 4.02Å; L89-C97 CarbonylContact O-C 3.53Å; L89-C97 WeakPolarHBondContact O-CA 3.3Å; L89-I98 HydrophobicContact CB-CB 4.49Å; L89-I98 PolarHBondContact N-O 2.87Å; L89-I98 PolarHBondContact O-N 3.3Å; L89-I100 HydrophobicContact CD1-CD1 3.46Å; L89-I100 VanDerWaalsContact CD1-CD1 3.46Å; L89-I100 HydrophobicContact CD1-CG1 4.29Å; L89-I100 HydrophobicContact CG-CD1 4.02Å; L89-I100 HydrophobicContact CG-CG1 4.4Å
90R95Very high93.3Very high92 Ų9250.5 Ų50.535%0.34730%0.299SS..EExtended strand (participates in β ladder)trans-131.3125.8175.5-178.8-166.966.8173.3-4.9111.9F68 P92 I96F68-R90 HydrophobicContact CB-CB 4.2Å; F68-R90 WeakPolarHBondContact CB-O 3.28Å; F68-R90 PolarHBondContact N-O 3.34Å; F68-R90 PolarHBondContact O-N 2.97Å; R90-P92 WeakPolarHBondContact O-CD 3.44Å; R90-I96 WeakPolarHBondContact CA-O 3.39Å
91F94.5Very high93.3Very high0 Ų049.6 Ų49.60%030%0.296CS..  trans-78.3121.1-177.1-71.1-88.2000112I37 V43 H47 L48 I67 T94 I96 I98I37-F91 HydrophobicContact CD1-CD1 4.46Å; I37-F91 HydrophobicContact CD1-CD2 4.22Å; I37-F91 HydrophobicContact CD1-CE1 3.72Å; I37-F91 HydrophobicContact CD1-CE2 3.45Å; I37-F91 VanDerWaalsContact CD1-CE2 3.45Å; I37-F91 HydrophobicContact CD1-CZ 3.15Å; V43-F91 HydrophobicContact CG2-CB 4.37Å; V43-F91 HydrophobicContact CG2-CD1 4.13Å; V43-F91 HydrophobicContact CG2-CG 4.25Å; H47-F91 HydrophobicContact CB-CE1 4.09Å; H47-F91 AromaticContact CD2-CE1 3.78Å; H47-F91 AromaticContact CE1-CD1 3.99Å; H47-F91 AromaticContact CG-CE1 3.71Å; H47-F91 AromaticContact ND1-CD1 3.91Å; H47-F91 AromaticContact ND1-CE1 3.95Å; L48-F91 HydrophobicContact CD1-CE1 3.98Å; L48-F91 HydrophobicContact CD1-CE2 4.47Å; L48-F91 HydrophobicContact CD1-CZ 3.52Å; L48-F91 HydrophobicContact CG-CE1 4.08Å; L48-F91 HydrophobicContact CG-CZ 4.06Å; I67-F91 HydrophobicContact CD1-CD1 3.67Å; I67-F91 HydrophobicContact CD1-CD2 4.06Å; I67-F91 HydrophobicContact CD1-CE1 3.66Å; I67-F91 HydrophobicContact CD1-CE2 4.03Å; I67-F91 HydrophobicContact CD1-CG 3.87Å; I67-F91 HydrophobicContact CD1-CZ 3.83Å; F91-T94 HydrophobicContact CB-CG2 4.45Å; F91-T94 WeakPolarHBondContact CB-OG1 3.49Å; F91-T94 PolarHBondContact O-N 3.48Å; F91-T94 PolarHBondContact O-OG1 3.49Å; F91-I96 HydrophobicContact CD2-CB 4.33Å; F91-I96 HydrophobicContact CD2-CG2 4.25Å; F91-I96 PolarHBondContact N-O 3.09Å; F91-I98 HydrophobicContact CE2-CD1 3.93Å; F91-I98 HydrophobicContact CE2-CG1 4.32Å
92P93.1Very high93.3Very high15 Ų1547.3 Ų47.310%0.09728%0.283CS..THydrogen-bonded Turntrans-53.5142.4179.8-26.834.3000113.3N65 G66 F68 F73 R90 T94N65-P92 WeakPolarHBondContact O-CG 3.12Å; G66-P92 WeakPolarHBondContact O-CD 3.41Å; F68-P92 HydrophobicContact CD2-CB 4.48Å; F68-P92 HydrophobicContact CD2-CG 3.86Å; F68-P92 HydrophobicContact CE2-CB 4.04Å; F68-P92 HydrophobicContact CE2-CG 3.8Å; F73-P92 HydrophobicContact CD2-CG 4.47Å; F73-P92 HydrophobicContact CE2-CG 3.92Å; R90-P92 WeakPolarHBondContact O-CD 3.44Å; P92-T94 PolarHBondContact O-N 3.38Å
93S91.6Very high92.9Very high97 Ų9746.8 Ų46.868%0.67828%0.279SS*.THydrogen-bonded Turntrans58.522.5-176.8-56.40000115.1
94T91.1Very high91.8Very high32 Ų3250.5 Ų50.520%0.19630%0.295CS..SBendtrans-136.2165171.677.70000111.1Y42 V43 F91 P92 I96Y42-T94 HydrophobicContact CD2-CG2 4.46Å; V43-T94 HydrophobicContact CG2-CG2 4.45Å; F91-T94 HydrophobicContact CB-CG2 4.45Å; F91-T94 WeakPolarHBondContact CB-OG1 3.49Å; F91-T94 PolarHBondContact O-N 3.48Å; F91-T94 PolarHBondContact O-OG1 3.49Å; P92-T94 PolarHBondContact O-N 3.38Å; T94-I96 HydrophobicContact CG2-CD1 4.34Å; T94-I96 PolarHBondContact OG1-N 3.03Å; T94-I96 VanDerWaalsContact OG1-N 3.12Å
95S91Very high90.2Very high121 Ų12154.7 Ų54.785%0.84631%0.311SS*.SBendtrans-82.44.1168.349.10000113.6
96I91.8Very high88.3Confident37 Ų3753.8 Ų53.819%0.1931%0.307CS..  trans-86.8121.6-167.5-50.5162.3000110.7M10 I37 V43 R90 F91 T94M10-I96 HydrophobicContact SD-CG2 4.36Å; I37-I96 HydrophobicContact CG2-CB 4.47Å; I37-I96 HydrophobicContact CG2-CD1 3.98Å; I37-I96 HydrophobicContact CG2-CG2 3.54Å; V43-I96 HydrophobicContact CG2-CD1 4.33Å; R90-I96 WeakPolarHBondContact CA-O 3.39Å; F91-I96 HydrophobicContact CD2-CB 4.33Å; F91-I96 HydrophobicContact CD2-CG2 4.25Å; F91-I96 PolarHBondContact N-O 3.09Å; T94-I96 HydrophobicContact CG2-CD1 4.34Å; T94-I96 PolarHBondContact OG1-N 3.03Å; T94-I96 VanDerWaalsContact OG1-N 3.12Å
97C93.5Very high85.7Confident61 Ų6161.3 Ų61.341%0.41233%0.326SS..EExtended strand (participates in β ladder)trans-118.4152.9169.657.90000111.7V88 L89V88-C97 HydrophobicContact CG1-CB 4.17Å; L89-C97 CarbonylContact O-C 3.53Å; L89-C97 WeakPolarHBondContact O-CA 3.3Å
98I95.4Very high83Confident3 Ų369.4 Ų69.42%0.01536%0.364CS..EExtended strand (participates in β ladder)trans-132.2116.2169.7-55.1177.9000106.5L8 T9 M10 I24 I37 L89 F91 I100L8-I98 HydrophobicContact CB-CG2 4.05Å; L8-I98 HydrophobicContact CD2-CG2 4.25Å; T9-I98 WeakPolarHBondContact O-CA 3.25Å; M10-I98 HydrophobicContact CB-CG1 4.32Å; M10-I98 HydrophobicContact CG-CG1 4.18Å; M10-I98 HydrophobicContact SD-CD1 4.39Å; M10-I98 HydrophobicContact SD-CG1 4.23Å; I24-I98 HydrophobicContact CG2-CD1 3.91Å; I37-I98 HydrophobicContact CD1-CD1 4.42Å; L89-I98 HydrophobicContact CB-CB 4.49Å; L89-I98 PolarHBondContact N-O 2.87Å; L89-I98 PolarHBondContact O-N 3.3Å; F91-I98 HydrophobicContact CE2-CD1 3.93Å; F91-I98 HydrophobicContact CE2-CG1 4.32Å; I98-I100 HydrophobicContact CG2-CG1 4.13Å
99Q95.6Very high80Confident92 Ų9276.1 Ų76.143%0.4339%0.388SS..EExtended strand (participates in β ladder)trans-82.4133.1168.7-179.8178.2-14.700108.4L8 T9 V88L8-Q99 CarbonylContact C-O 3.52Å; L8-Q99 WeakPolarHBondContact CA-O 3.36Å; T9-Q99 PolarHBondContact N-O 2.84Å; T9-Q99 PolarHBondContact O-N 3.02Å; V88-Q99 HydrophobicContact CG2-CB 4.42Å; V88-Q99 HydrophobicContact CG2-CG 4.35Å
100I95.1Very high77Confident1 Ų181.7 Ų81.71%0.00543%0.427CS..EExtended strand (participates in β ladder)trans-118.8137.1178.6-57.8-167.6000108.8A6 R7 L8 I50 L57 S86 C87 L89 I98A6-I100 HydrophobicContact CB-CG2 4.36Å; R7-I100 WeakPolarHBondContact O-CA 3.3Å; L8-I100 HydrophobicContact CD2-CD1 3.7Å; L8-I100 HydrophobicContact CD2-CG1 3.98Å; L8-I100 HydrophobicContact CG-CD1 4.2Å; L8-I100 HydrophobicContact CG-CG1 4Å; L8-I100 HydrophobicContact CG-CG2 4.47Å; I50-I100 HydrophobicContact CD1-CD1 3.39Å; L57-I100 HydrophobicContact CD1-CG2 3.75Å; S86-I100 WeakPolarHBondContact CA-O 3.48Å; C87-I100 PolarHBondContact N-O 2.91Å; C87-I100 PolarHBondContact O-N 3.41Å; L89-I100 HydrophobicContact CD1-CD1 3.46Å; L89-I100 VanDerWaalsContact CD1-CD1 3.46Å; L89-I100 HydrophobicContact CD1-CG1 4.29Å; L89-I100 HydrophobicContact CG-CD1 4.02Å; L89-I100 HydrophobicContact CG-CG1 4.4Å; I98-I100 HydrophobicContact CG2-CG1 4.13Å
101E93.3Very high74.2Confident67 Ų6782.3 Ų82.331%0.31345%0.445SS..EExtended strand (participates in β ladder)trans-136.1120-179.4-172-172.3169.500108.6A6 R7 P85 C103A6-E101 CarbonylContact C-O 3.53Å; A6-E101 VanDerWaalsContact CA-O 3.23Å; A6-E101 WeakPolarHBondContact CA-O 3.37Å; R7-E101 HydrophobicContact CB-CB 4.46Å; R7-E101 IonicContact CZ-OE1 3.73Å; R7-E101 IonicContact CZ-OE2 2.85Å; R7-E101 PolarHBondContact N-O 3.48Å; R7-E101 IonicContact NE-OE2 2.79Å; R7-E101 PolarHBondContact NE-OE2 2.9Å; R7-E101 IonicContact NH2-OE1 2.73Å; R7-E101 PolarHBondContact NH2-OE1 3.36Å; R7-E101 IonicContact NH2-OE2 3.77Å; R7-E101 PolarHBondContact NH2-OE2 3.33Å; R7-E101 PolarHBondContact O-N 3.49Å; P85-E101 CarbonylContact O-C 3.5Å; P85-E101 WeakPolarHBondContact O-CA 3.47Å; E101-C103 PolarHBondContact O-N 2.96Å
102Q91Very high71.1Confident26 Ų2687.7 Ų87.712%0.12148%0.483CS..EExtended strand (participates in β ladder)trans-73.5119.9177.9171161.4-34.800109.5W52 D55 L57 P85 F104W52-Q102 HydrophobicContact CH2-CG 3.96Å; W52-Q102 VanDerWaalsContact CZ3-CD 3.46Å; W52-Q102 HydrophobicContact CZ3-CG 3.74Å; D55-Q102 PolarHBondContact O-NE2 3.21Å; L57-Q102 HydrophobicContact CD1-CB 3.94Å; P85-Q102 HydrophobicContact CB-CB 4.1Å; P85-Q102 WeakPolarHBondContact O-CB 3.2Å; P85-Q102 PolarHBondContact O-N 3.49Å; Q102-F104 VanDerWaalsContact CG-O 3.32Å; Q102-F104 WeakPolarHBondContact CG-O 3.34Å; Q102-F104 PolarHBondContact NE2-O 2.94Å
103C83.7Confident68Low54 Ų5493 Ų9337%0.36552%0.519SS..  trans-91.4-14.6-175-64.80000113.4V4 Y5 R7 E101V4-C103 HydrophobicContact CG1-CB 4.15Å; V4-C103 WeakPolarHBondContact O-CB 3.43Å; Y5-C103 PolarHBondContact O-N 2.88Å; R7-C103 PolarHBondContact N-SG 2.96Å; E101-C103 PolarHBondContact O-N 2.96Å
104F70.7Confident65.3Low87 Ų8792.7 Ų92.738%0.38252%0.522SS..  trans-109.7113.4178-168.3-90000109.9W52 Q102W52-F104 HydrophobicContact CH2-CB 3.83Å; W52-F104 HydrophobicContact CH2-CD1 4.18Å; W52-F104 HydrophobicContact CH2-CG 4.47Å; W52-F104 HydrophobicContact CZ2-CB 3.98Å; W52-F104 AromaticContact CZ2-CD1 3.71Å; W52-F104 HydrophobicContact CZ2-CD1 3.71Å; W52-F104 HydrophobicContact CZ2-CG 4.19Å; Q102-F104 VanDerWaalsContact CG-O 3.32Å; Q102-F104 WeakPolarHBondContact CG-O 3.34Å; Q102-F104 PolarHBondContact NE2-O 2.94Å
105M57.3Low62.5Low147 Ų14799.2 Ų99.272%0.72456%0.556SS**  trans-110.1118.8164.8-72.1-179.465.400107.9Y107M105-Y107 PolarHBondContact O-N 2.95Å
106S49.5Very low59.9Low62 Ų62103.6 Ų103.643%0.43456%0.555SS.*  trans-66.4117.9164.3470000108.6E108S106-E108 PolarHBondContact O-N 3.46Å
107Y40.8Very low57.3Low229 Ų229107.7 Ų107.790%0.89858%0.582SS**  trans-65.2103.3164.7-82.8-98000108M105M105-Y107 PolarHBondContact O-N 2.95Å
108E38.3Very low54.6Low173 Ų173110.5 Ų110.581%0.80860%0.602SS**PPolyproline II helixtrans-65.1149.1164.2-67.4-156.5139.100109.5S106 S110S106-E108 PolarHBondContact O-N 3.46Å; E108-S110 PolarHBondContact O-N 3.08Å
109K31.9Very low51.8Low202 Ų202115.4 Ų115.488%0.87864%0.637SS**PPolyproline II helixtrans-56.7124.6171.8-74.7176.7172.3178.90108.6S111K109-S111 PolarHBondContact O-N 3.17Å; K109-S111 VanDerWaalsContact O-N 3.12Å
110S33.7Very low49Very low117 Ų117119.6 Ų119.682%0.81865%0.654SS**PPolyproline II helixtrans-51.4119.7163.551.50000109E108E108-S110 PolarHBondContact O-N 3.08Å
111S35.7Very low46.3Very low106 Ų106128.1 Ų128.174%0.74169%0.693SS**PPolyproline II helixtrans-57.6143.1176.548.60000110.9K109K109-S111 PolarHBondContact O-N 3.17Å; K109-S111 VanDerWaalsContact O-N 3.12Å
112S29.6Very low43.7Very low113 Ų113132.6 Ų132.679%0.7972%0.719SS**SBendtrans-56.6161160.345.10000111.2
113C27.7Very low40.8Very low127 Ų127139 Ų13986%0.85875%0.754SS**  trans84.591-176.9-168.10000115.5
114A33.6Very low38.7Very low90 Ų90141.1 Ų141.174%0.74477%0.769SS**  trans-161.4-16.3155.300000114.5Y116A114-Y116 VanDerWaalsContact C-N 3.33Å; A114-Y116 PolarHBondContact O-N 2.74Å
115D34Very low37Very low168 Ų168148 Ų14890%0.89880%0.795SS**  trans-76.975.1178.9-67.2-46.5000112.7
116Y35.9Very low35.9Very low214 Ų214144.5 Ų144.584%0.83980%0.795SS**  trans-152140.8166.2-135.2-108.6000111.6A114A114-Y116 VanDerWaalsContact C-N 3.33Å; A114-Y116 PolarHBondContact O-N 2.74Å
117V36.5Very low35.4Very low123 Ų123146.5 Ų146.575%0.74581%0.81SS**  trans70.475.5173.6-157.40000117.9
118S37.6Very low35.1Very low119 Ų119145.9 Ų145.983%0.83281%0.806SS**  trans-162.9132133.6-1620000107.8
119S35.6Very low35Very low106 Ų106144.7 Ų144.774%0.74181%0.805SS**  cis-142.6169.98.254.10000112.6
120F37.3Very low35.2Very low181 Ų181139.7 Ų139.779%0.79480%0.795SS**  trans-57.1156.3-179.8-60.1-98.8000115.9
121E37.8Very low35.2Very low179 Ų179139.5 Ų139.584%0.83679%0.793SS**  trans60.9135.3157-68.3169.2172.200116.9
122L39.4Very low35.5Very low162 Ų162139.8 Ų139.885%0.84880%0.795SS**  cis-151.5159.231.3-15876000111.3
123D30.8Very low36.1Very low159 Ų159140.2 Ų140.285%0.8580%0.795SS**  trans-85.5164176.7-103.9-46.4000114.5
124S39.7Very low36.8Very low99 Ų99139.9 Ų139.969%0.69279%0.789SS**  trans99.2112.6157-154.70000120.3
125Y34.7Very low37.1Very low233 Ų233142.5 Ų142.591%0.91479%0.79SS**  trans22.8126.7144.8-67.2-91.8000121.9
126G34.1Very low37.4Very low72 Ų72138.8 Ų138.874%0.74278%0.777SS**  136.1107.511800000119.5
127S37.7Very low37.7Very low105 Ų105135.3 Ų135.373%0.73477%0.773SS**  trans58.9111.9144.9-71.80000122.5
128R35.7Very low37.9Very low216 Ų216135.4 Ų135.482%0.81577%0.769SS**  76.1128.8123.3-65.7177.2-179.3-178.1-0.2120.7
129N36.3Very low37.9Very low148 Ų148138.1 Ų138.179%0.79177%0.769SS**  trans71.4148143.9-61.37.8000117.4
130S36.2Very low38Very low97 Ų97137.9 Ų137.968%0.67877%0.774SS**  cis-170.9162.3-17.148.20000110.6
131C32.5Very low38.1Very low112 Ų112134.9 Ų134.976%0.75778%0.775SS**  trans71.699.8157.3-64.90000120.2
132S43.5Very low38.1Very low112 Ų112132.5 Ų132.578%0.78378%0.775SS**  98.7139.3115.3-58.70000120.4
133P41.6Very low37.7Very low122 Ų122136.6 Ų136.679%0.79278%0.779SS**  trans-105.717917942.7-36.4000113
134V41.7Very low38.2Very low121 Ų121136.9 Ų136.973%0.73378%0.779SS**  trans-172.2131.9138.91330000111.2
135N40.3Very low37.9Very low145 Ų145137.3 Ų137.378%0.77578%0.782SS**  trans48151150.2-61.91.7000122.3
136S40Very low38Very low89 Ų89131.7 Ų131.762%0.62278%0.777SS**  cis-166-179.4-14.2470000111.4
137D42.5Very low38.3Very low141 Ų141137.9 Ų137.975%0.75478%0.783SS**  trans87.6159.6158.8-57-58.9000119.8
138N40.6Very low38.1Very low125 Ų125138.3 Ų138.367%0.66878%0.782SS**  trans-124.4150.3-136.8-88.4-82000115.4
139Q38.4Very low38.2Very low176 Ų176137.5 Ų137.582%0.82279%0.785SS**  trans33131.1139-53176.151.500118.5
140A38Very low37.9Very low102 Ų102136.8 Ų136.884%0.84378%0.781SS**  cis-166.5174.748.700000114.1
141S38.3Very low37.8Very low118 Ų118142.2 Ų142.283%0.82579%0.792SS**  trans-83.3156.3-168.7-49.20000116.5
142P39.1Very low37.8Very low129 Ų129144.4 Ų144.484%0.83880%0.795SS**  trans-87.1168.3-176.635.3-37.5000115.7
143R30.5Very low37.4Very low247 Ų247142 Ų14293%0.93279%0.787SS**  trans-109.1137.7174.3-75.1179.3170.4-178.5-1.3112.8
144I40.5Very low37.2Very low165 Ų165142.7 Ų142.785%0.84679%0.792SS**  trans-14099.1158-59.4-177.6000106.4
145S34.2Very low36.7Very low109 Ų109142 Ų14276%0.76279%0.792SS**  81.211584.5-166.10000114.1
146S37.4Very low36.6Very low114 Ų114144.2 Ų144.280%0.79780%0.798SS**  trans-134140.7170.854.60000109.6
147K38.7Very low36.1Very low202 Ų202147.1 Ų147.188%0.87881%0.807SS**  trans-92.6127.2-171.2-68.2-178.1179.3178.30112
148T34Very low36Very low114 Ų114147.9 Ų147.970%0.69981%0.81SS**  trans-91.8135.8170.7-56.60000110.5N150T148-N150 WeakPolarHBondContact CG2-OD1 3.49Å
149F37.6Very low35.4Very low200 Ų200149.2 Ų149.288%0.87782%0.817SS**  trans-110.9116.5160.8-101-83.3000109.3
150N31Very low35.3Very low132 Ų132146.1 Ų146.171%0.70681%0.811SS**  trans-91.5145.6171.6-69.5-31.3000109.6T148T148-N150 WeakPolarHBondContact CG2-OD1 3.49Å
151F33Very low35Very low211 Ų211148 Ų14893%0.92581%0.811SS**  trans-133.9129.8161.4-139.7-86.6000109.2
152I32.3Very low35.3Very low158 Ų158148.5 Ų148.581%0.8181%0.81SS**  trans-107137.4-172-63.3172.7000108.7
153G36.6Very low35.2Very low61 Ų61147.9 Ų147.963%0.62981%0.809SS**  trans-151.7138173.100000109.7
154P37.3Very low35.5Very low138 Ų138148 Ų14890%0.89681%0.809SS**  trans-74.2160.4-163.128.9-35.9000114.4
155S30.4Very low35.7Very low105 Ų105146.9 Ų146.973%0.73481%0.811SS**  trans-99.2130.8179.254.20000112.2
156E37.9Very low35.7Very low192 Ų192153.4 Ų153.490%0.89782%0.818SS**  trans-121.2143.5158.4-71.4-161.3146.300110.6
157N29.3Very low35.8Very low150 Ų150159.5 Ų159.580%0.80282%0.824SS**  trans-92.2132.8-171.1-66.8-58000111.7
158L40Very low35.9Very low157 Ų157159.6 Ų159.682%0.82282%0.824SS**  trans-134.494.3173.5-103.6152.6000111T160L158-T160 PolarHBondContact O-N 2.9Å
159N28.7Very low36Very low154 Ų154163.5 Ų163.582%0.82484%0.835SS**  trans-69.3105.8174.7-66.6-27.2000110.4
160T37Very low36.1Very low111 Ų111156.4 Ų156.468%0.68181%0.813SS**  trans-107.2100.2174.154.40000111.7L158 T162L158-T160 PolarHBondContact O-N 2.9Å; T160-T162 PolarHBondContact O-N 3.24Å
161T31.9Very low36.7Very low140 Ų140153.5 Ų153.586%0.85980%0.797SS**  trans-68.891.7179.8-49.80000112.1
162T43.5Very low37.4Very low130 Ų130149.6 Ų149.680%0.79878%0.784SS**  trans-78.8133.7173.339.20000111.8T160T160-T162 PolarHBondContact O-N 3.24Å
163S38.1Very low37.7Very low116 Ų116146.9 Ų146.981%0.81178%0.777SS**  trans-72.3139.8-170.8-47.30000113.1T165S163-T165 PolarHBondContact O-N 3.11Å
164R35.5Very low37.9Very low248 Ų248147 Ų14794%0.93677%0.772SS**  trans-60.3115.8-179.9-73.6174.8167.1171-4.2112.8
165T45.9Very low37.9Very low143 Ų143145.6 Ų145.688%0.87776%0.764SS**  trans-115.6117.5151.1270000109.7S163S163-T165 PolarHBondContact O-N 3.11Å
166R33.1Very low38.1Very low246 Ų246151.6 Ų151.693%0.92877%0.771SS**  trans-103.390.8-163.9-174-170.4-171.6-163.74112.1
167R39.4Very low37.9Very low242 Ų242147.9 Ų147.991%0.91376%0.761SS**SBendtrans-157.9123.4163-111.7160-172.6168.31.8112.5
168K40.7Very low38.1Very low204 Ų204146.8 Ų146.889%0.88776%0.761SS**  trans29.5100.4169.6-65.3-170.4174.7-173.10117.1
169Q35.9Very low37.6Very low196 Ų196149.2 Ų149.292%0.91676%0.76SS**  trans-57.6140.6166.8-67.5158.1-39.600110.8
170A40.5Very low37.9Very low51 Ų51145.3 Ų145.342%0.42176%0.756SS.*  trans-136.713.2178.700000113.2
171L44Very low37.5Very low71 Ų71147.3 Ų147.337%0.37276%0.762SS.*  trans-144.4133.9-179.6-68.4168.2000107.4Y15 E16Y15-L171 HydrophobicContact CD1-CD1 4.06Å; E16-L171 WeakPolarHBondContact O-CD2 3.02Å
172I47.3Very low37.7Very low128 Ų128146.9 Ų146.966%0.65676%0.759SS**  trans-107128.4175.9-59.7175.1000107.7A174I172-A174 PolarHBondContact O-N 3.23Å
173P39.3Very low37Very low102 Ų102149.2 Ų149.266%0.66276%0.761SS**  trans-67.8124.5169.9-17.731.8000110.5C175P173-C175 VanDerWaalsContact C-N 3.35Å; P173-C175 PolarHBondContact O-N 3.05Å
174A39.7Very low36.6Very low64 Ų64154.5 Ų154.553%0.52977%0.765SS.*  trans-75.779.9-17900000112.2I172 R176I172-A174 PolarHBondContact O-N 3.23Å; A174-R176 PolarHBondContact O-N 2.98Å; A174-R176 VanDerWaalsContact O-N 3.14Å
175C37.6Very low36.5Very low107 Ų107147.5 Ų147.572%0.72375%0.754SS**  trans-71101174.8-65.50000111.4P173 T177P173-C175 VanDerWaalsContact C-N 3.35Å; P173-C175 PolarHBondContact O-N 3.05Å; C175-T177 PolarHBondContact O-N 3.41Å; C175-T177 VanDerWaalsContact O-N 3.1Å
176R35.4Very low35.6Very low231 Ų231148.2 Ų148.287%0.87275%0.752SS**  trans-74.293.6167.8-85.5-167.1172.5-154.9-0.6111.1A174 T178A174-R176 PolarHBondContact O-N 2.98Å; A174-R176 VanDerWaalsContact O-N 3.14Å; R176-T178 PolarHBondContact O-N 3.31Å
177T33.5Very low35.6Very low114 Ų114143.1 Ų143.170%0.69975%0.748SS**  trans-8591.3162.248.70000110.1C175 Y179C175-T177 PolarHBondContact O-N 3.41Å; C175-T177 VanDerWaalsContact O-N 3.1Å; T177-Y179 VanDerWaalsContact C-N 3.28Å; T177-Y179 PolarHBondContact O-N 3.08Å
178T33.2Very low35.2Very low128 Ų128139.6 Ų139.679%0.78574%0.742SS**  trans-76.879.1168.442.80000110.6R176 G180R176-T178 PolarHBondContact O-N 3.31Å; T178-G180 PolarHBondContact O-N 3.3Å
179Y29.7Very low34.9Very low208 Ų208139.1 Ų139.182%0.81674%0.74SS**  trans-78.8108.8161.1-96.8-90.2000108.9T177T177-Y179 VanDerWaalsContact C-N 3.28Å; T177-Y179 PolarHBondContact O-N 3.08Å
180G34.2Very low34.6Very low71 Ų71136 Ų13673%0.73273%0.73SS**  trans-84.5105.9170.500000110.1T178 V182T178-G180 PolarHBondContact O-N 3.3Å; G180-V182 PolarHBondContact O-N 3.29Å
181N29.2Very low34.2Very low153 Ų153139.9 Ų139.982%0.81875%0.748SS**  trans-68.4124.7170.4-76-7000109.9
182V34.9Very low33.9Very low131 Ų131141.6 Ų141.679%0.79476%0.764SS**  trans-122.6103.6158.2-179.40000107.1G180G180-V182 PolarHBondContact O-N 3.29Å
183H30.1Very low33.2Very low180 Ų180139.8 Ų139.883%0.83376%0.762SS**  trans-69.5132.8163.2-102.5-46.6000108.6
184Y30.2Very low33Very low227 Ų227142.2 Ų142.289%0.8977%0.77SS**  trans-141.5150.1136.9-106.4-77.6000109.2
185S32.7Very low32.9Very low101 Ų101143.2 Ų143.271%0.70678%0.778SS**  trans-101.3154.1-162.351.20000114
186N26.7Very low32.9Very low157 Ų157144 Ų14484%0.8479%0.785SS**  trans-54.1137.5175.5-61.6-26.8000113.5
187V34.1Very low32.9Very low140 Ų140137.6 Ų137.685%0.84878%0.776SS**  trans-138.9128148-178.50000108
188Q29.5Very low33.1Very low168 Ų168137.3 Ų137.379%0.78578%0.777SS**  trans-91.4145.8175-62.1158.3-84.900110.6
189K35.8Very low33.3Very low194 Ų194138.8 Ų138.884%0.84378%0.775SS**  trans-176.1100.7144.6-102.2154.6-173.6-178.10114.1
190N28.5Very low33.6Very low131 Ų131135.1 Ų135.170%0.70177%0.769SS**  50132.8120.7-61.916.8000123.3
191T33.6Very low33.9Very low131 Ų131139.9 Ų139.980%0.80477%0.769SS**  trans81.9161.8136.255.30000118.6
192P36.8Very low34.2Very low108 Ų108138.9 Ų138.970%0.70176%0.764SS**  -143-170.7-96.835.9-9.8000117.1
193S32.8Very low34.3Very low90 Ų90138 Ų13863%0.62976%0.759SS**  trans68.8153.9146.859.80000123.5
194D35.4Very low34.7Very low152 Ų152133.8 Ų133.881%0.81375%0.75SS**  trans73.6146.1159.7-53.2-37.6000120.3
195A36.4Very low35.1Very low85 Ų85129.5 Ų129.570%0.70274%0.742SS**  cis-169.1178.3-19.900000111.3
196S37.8Very low35.3Very low125 Ų125130.6 Ų130.687%0.87475%0.745SS**  trans73.5146.4167.4-87.40000119.3
197S37.1Very low35.7Very low96 Ų96128.1 Ų128.167%0.67174%0.736SS**  cis-167.9144.2-8.5174.60000112.4
198C35.7Very low36Very low108 Ų108130.5 Ų130.573%0.7374%0.738SS**  trans53.8155153.2-70.20000121.9
199E37.4Very low36Very low159 Ų159131.9 Ų131.974%0.74374%0.736SS**  cis-151.21410.4-132.2165.4176.700114.1
200L37.9Very low36Very low131 Ų131126.1 Ų126.169%0.68673%0.731SS**  trans13.4139.5141-57.6175.4000119.3
201K38.8Very low36.5Very low170 Ų170125.6 Ų125.674%0.73972%0.724SS**  cis-161.7-167.926.3-118.9157.1-171.2165.20109.5
202N37.1Very low36.7Very low132 Ų132125.2 Ų125.271%0.70672%0.717SS**  cis-153.1-165.115.6-147.329.3000113.9
203T36.7Very low36.9Very low112 Ų112126.7 Ų126.769%0.68772%0.719SS**  trans-86.6167.2-179.749.50000115.5
204S38.8Very low37.2Very low92 Ų92127.6 Ų127.664%0.64372%0.721SS**  cis-171.3-175.7-9.447.10000111.8
205D37.9Very low37.2Very low138 Ų138127.7 Ų127.774%0.73872%0.722SS**  trans82.6143.5158.3-68.3-68.7000121
206T36.4Very low36.9Very low124 Ų124134.9 Ų134.976%0.76173%0.731SS**  cis-158.5167.6-22-116.60000113.1
207T35.1Very low36.6Very low105 Ų105132.7 Ų132.764%0.64472%0.72SS**  trans-90.3147.8-159-56.80000119R209T207-R209 HydrophobicContact CG2-CB 4.12Å
208Q39.7Very low36.3Very low190 Ų190137 Ų13789%0.88873%0.73SS**  trans-172.2125.3139.3-103.9159.984.600108.9
209R31.2Very low36.2Very low197 Ų197136.5 Ų136.574%0.74373%0.733SS**  cis81.2119.222.4-157.6-175.6-162.4-62.4-17.3113.7T207 E211T207-R209 HydrophobicContact CG2-CB 4.12Å; R209-E211 IonicContact CZ-OE1 3.09Å; R209-E211 IonicContact NH1-OE1 2.66Å; R209-E211 PolarHBondContact NH1-OE1 3.32Å; R209-E211 IonicContact NH2-OE1 2.82Å; R209-E211 PolarHBondContact NH2-OE1 3.2Å
210G35.8Very low36Very low72 Ų72135.8 Ų135.874%0.74273%0.734SS**  cis-148.3-130.7-10.200000108.6
211E38.6Very low36Very low120 Ų120135.8 Ų135.856%0.56173%0.734SS**  cis-170.1151.8-10.6-82.5-151.7-164.400104.1R209R209-E211 IonicContact CZ-OE1 3.09Å; R209-E211 IonicContact NH1-OE1 2.66Å; R209-E211 PolarHBondContact NH1-OE1 3.32Å; R209-E211 IonicContact NH2-OE1 2.82Å; R209-E211 PolarHBondContact NH2-OE1 3.2Å
212N38Very low35.8Very low123 Ų123134.4 Ų134.466%0.65873%0.73SS**  cis-160.4-159.60.2-85.9-15.5000110.3
213D39.5Very low35.7Very low139 Ų139135.9 Ų135.974%0.74373%0.73SS**  trans76.282.9152.2-63.7-12.5000124.1
214T40.3Very low35.2Very low110 Ų110140.1 Ų140.168%0.67574%0.742SS**  67.4129.512365.30000124.1
215N34.4Very low34.7Very low153 Ų153141 Ų14182%0.81874%0.744SS**  trans54117.6138.6-54.9-28.4000118.6
216R30.8Very low34.2Very low237 Ų237141.5 Ų141.589%0.89475%0.746SS**  174.4128.562.7179.4173.6-172.61461.9112.3
217A32Very low33.8Very low79 Ų79146.4 Ų146.465%0.65375%0.752SS**  trans27.3149.714600000124.8
218E30.8Very low33.5Very low186 Ų186148.9 Ų148.987%0.86976%0.76SS**  trans84.981145.4-76.5164.6-170.300121.9
219A32.1Very low33Very low97 Ų97143.1 Ų143.180%0.80275%0.752SS**  58.193.3116.300000120.8
220D33.6Very low32.8Very low144 Ų144141.5 Ų141.577%0.7776%0.758SS**  trans-61.9130.8154.2-84.1-55.9000111.7
221I37.8Very low32.5Very low132 Ų132144 Ų14468%0.67776%0.764SS**  72.7125.475.3-88.2161.5000112.6
222H35.3Very low32Very low141 Ų141142.1 Ų142.165%0.65377%0.769SS**  cis-141.1129.620.4-135.878000116
223K34.9Very low31.5Very low163 Ų163143.2 Ų143.271%0.70977%0.774SS**  trans10.6117.5150.2-60168.6-173.9166.80120.3
224Q26.5Very low31Very low200 Ų200143.7 Ų143.794%0.93578%0.775SS**  trans-95.5107.9150.9-68.9-1782.800110.6
225T28.7Very low30.3Very low112 Ų112146.3 Ų146.369%0.68778%0.78SS**  trans-145.2138.4169.247.20000113.7
226N27.4Very low29.9Very low148 Ų148148.9 Ų148.979%0.79178%0.78SS**  trans-38.1138.7176.4-52.2-62.2000115.9
227Y28.2Very low29.9Very low227 Ų227143.9 Ų143.989%0.8977%0.769SS**  trans-125.6111.4146.5-101.2-87.9000110.1
228I27.6Very low29.6Very low156 Ų156147.9 Ų147.980%0.877%0.774SS**  trans-93.195.8167.3-64.5174.8000106.2
229G29.7Very low29.6Very low69 Ų69146.3 Ų146.371%0.71177%0.771SS**  trans-103.4101.8178.400000111.4
230N26.4Very low29.4Very low164 Ų164150.5 Ų150.588%0.87777%0.771SS**  trans-70.3129.2159.2-77.1-26.9000108.2
231S30.9Very low29.3Very low125 Ų125148.6 Ų148.687%0.87477%0.769SS**  trans-140.8119.4154.9-154.80000109.4
232A27.7Very low28.9Very low79 Ų79151 Ų15165%0.65378%0.775SS**  trans-88.6175.9169.200000109.4
233N26.7Very low28.9Very low146 Ų146150.7 Ų150.778%0.78178%0.782SS**  trans57.183.3168.9-59.4-14.1000115.7
234I29.5Very low28.5Very low149 Ų149148.5 Ų148.576%0.76478%0.779SS**  trans-108100.5142.3-63.6-178.5000106.9Y236I234-Y236 HydrophobicContact CG2-CD2 3.41Å; I234-Y236 VanDerWaalsContact CG2-CD2 3.41Å; I234-Y236 HydrophobicContact CG2-CE2 3.55Å
235Q25.2Very low28.9Very low166 Ų166147 Ų14778%0.77678%0.776SS**  trans-87.7125.3163.6-69.1-179.3-10.600107.9
236Y26.8Very low29.3Very low206 Ų206145.7 Ų145.781%0.80877%0.769SS**  trans-13087159.7-81.7-63.1000110.7I234I234-Y236 HydrophobicContact CG2-CD2 3.41Å; I234-Y236 VanDerWaalsContact CG2-CD2 3.41Å; I234-Y236 HydrophobicContact CG2-CE2 3.55Å
237I30Very low29.5Very low132 Ų132147.9 Ų147.968%0.67777%0.772SS**  trans23.2102.6138.5-46.1176.7000115.1L239I237-L239 VanDerWaalsContact C-N 3.32Å; I237-L239 HydrophobicContact CG2-CD1 3.88Å; I237-L239 HydrophobicContact CG2-CG 3.82Å; I237-L239 PolarHBondContact O-N 3.43Å
238H25.7Very low30Very low164 Ų164142.2 Ų142.276%0.75977%0.766SS**  trans-76.479.9169.3-178.9-61.3000110.4
239L30.6Very low30.2Very low153 Ų153142.2 Ų142.280%0.80177%0.768SS**  trans-76.7123.7170.7-91.4156.5000110.4I237I237-L239 VanDerWaalsContact C-N 3.32Å; I237-L239 HydrophobicContact CG2-CD1 3.88Å; I237-L239 HydrophobicContact CG2-CG 3.82Å; I237-L239 PolarHBondContact O-N 3.43Å
240K27.1Very low30.7Very low185 Ų185144.9 Ų144.980%0.80477%0.769SS**  trans-121.4101.9-174.5-165.9-174.4-169.7179.60109
241S31.7Very low31.3Very low104 Ų104144.1 Ų144.173%0.72777%0.765SS**  trans-130.4117.5179.153.60000110.7
242K29.8Very low31.4Very low183 Ų183143.9 Ų143.980%0.79676%0.764SS**  trans-65.2136.3159.6-82.6-175.6157.7-150.40109.1
243V34.8Very low32.1Very low134 Ų134148.4 Ų148.481%0.81278%0.775SS**  trans-141.6112.8148.1-178.50000106.6
244D27.1Very low32.6Very low117 Ų117145.6 Ų145.663%0.62677%0.767SS**  trans-83.1155.8165.1-53.3-82.3000108.8
245L35.4Very low32.9Very low167 Ų167146 Ų14687%0.87477%0.771SS**  trans159157.6150.9-84.1167.4000111.5
246P37.5Very low33.5Very low85 Ų85141.3 Ų141.355%0.55277%0.767SS**  trans-142.3-143.9-13744.7-23.1000115.2
247F31.2Very low34.3Very low194 Ų194139.3 Ų139.385%0.85177%0.769SS**  trans82.6151.8177.2-49.2-65.4000115.4
248S38.6Very low35Very low108 Ų108138.6 Ų138.676%0.75577%0.77SS**  cis-137168.312.154.50000114.5
249N31.2Very low35.4Very low157 Ų157136.8 Ų136.884%0.8477%0.773SS**  trans-98.9151.2171.4-63.8-24.4000111.2
250V42Very low35.9Very low124 Ų124137.5 Ų137.575%0.75278%0.776SS**  trans-172147.5147.1-83.10000107.1
251D38.1Very low36.3Very low148 Ų148137.7 Ų137.779%0.79178%0.777SS**  cis-152.4168.6-18.7-99.3-29.6000108.7
252S33.8Very low36.5Very low120 Ų120138 Ų13884%0.83978%0.779SS**  trans-114.7130.5178.9-62.30000112.4
253I41.3Very low37.1Very low174 Ų174134 Ų13489%0.89277%0.774SS**  trans-135.3143.3165.6-61.4-177.3000108.5
254S37.2Very low37.5Very low88 Ų88135.9 Ų135.962%0.61577%0.774SS**  trans-110.4179.1-169.351.70000114
255D37Very low37.9Very low157 Ų157137.5 Ų137.584%0.8478%0.783SS**  trans78.9130.3156.2-54-55.5000120.5
256G36.4Very low38.1Very low67 Ų67134.9 Ų134.969%0.69178%0.778SS**  trans14591.8161.400000117.4
257I43Very low38.2Very low165 Ų165138.4 Ų138.485%0.84679%0.791SS**  43.2125.9126.3-64160.5000117.9
258T45.7Very low38.4Very low116 Ų116134.1 Ų134.171%0.71279%0.785SS**  cis-165.4158.3-1.622.80000109
259P34.5Very low38.4Very low126 Ų126133.4 Ų133.482%0.81878%0.78SS**  trans-95.3134.8175.735.2-31.4000113.9
260I41.1Very low38.8Very low168 Ų168132.3 Ų132.386%0.86278%0.781SS**  trans-116.5139.2167.6-65.7-179.1000109.9
261K35.4Very low38.9Very low189 Ų189133.7 Ų133.782%0.82278%0.783SS**  trans-94.1153.6-176.6-58.5169.2-178.61720111.1
262S36.5Very low38.8Very low110 Ų110133.5 Ų133.577%0.76979%0.787SS**  140.3157.1115.4700000116.5
263S41.2Very low39.1Very low99 Ų99136 Ų13669%0.69279%0.785SS**  trans7585.4146.4-56.20000122
264Q44.3Very low38.9Very low174 Ų174135.4 Ų135.481%0.81378%0.783SS**  59.5124.8119.3-64.9177.56.500122.6
265N35.8Very low38.9Very low152 Ų152135.6 Ų135.681%0.81379%0.789SS**  trans6293.2135.3-61.7-6.8000121.9
266S39.1Very low38.9Very low112 Ų112134.5 Ų134.578%0.78379%0.789SS**  trans-149.5118.4138.349.90000108.3
267I39.5Very low39.4Very low158 Ų158139.5 Ų139.581%0.8179%0.792SS**  75.4115.883.5-65.9165.3000112.9
268S35.6Very low39.7Very low104 Ų104137.1 Ų137.173%0.72779%0.787SS**  trans77.8147.5161.379.30000120.7
269S37.5Very low39.6Very low94 Ų94136.3 Ų136.366%0.65779%0.792SS**  trans70.791.3158.5-49.60000119.2I271S269-I271 PolarHBondContact O-N 2.67Å
270P40.6Very low40.8Very low133 Ų133133.5 Ų133.586%0.86477%0.769SS**  trans-74104.6159.131.1-31.2000110.2
271I44Very low41.3Very low153 Ų153132.4 Ų132.479%0.78576%0.76SS**  trans-62.9145.5173.8-70.4170000110.2S269 H273S269-I271 PolarHBondContact O-N 2.67Å; I271-H273 PolarHBondContact O-N 3.39Å
272V36.3Very low41.9Very low144 Ų144134.8 Ų134.887%0.87376%0.764SS**  trans-66.693.4-171.6-175.20000111.5
273H39.8Very low42.3Very low174 Ų174131.8 Ų131.881%0.80675%0.751SS**  trans-73.2128.8173-129.2-83000110.6I271 A275I271-H273 PolarHBondContact O-N 3.39Å; H273-A275 PolarHBondContact O-N 3.4Å
274L35.5Very low42.8Very low161 Ų161133.5 Ų133.584%0.84375%0.752SS**  trans-59.4101.6-177.6-179.762.7000111T276L274-T276 PolarHBondContact O-N 2.9Å
275A39Very low43.5Very low91 Ų91131.4 Ų131.475%0.75274%0.743SS**  trans-72.1103.3-173.200000111.9H273 F277H273-A275 PolarHBondContact O-N 3.4Å; A275-F277 PolarHBondContact O-N 2.87Å
276T35.4Very low44.9Very low134 Ų134131.7 Ų131.782%0.82274%0.737SS**  trans-41.5124.1171.4-54.10000112L274L274-T276 PolarHBondContact O-N 2.9Å
277F47.5Very low46.9Very low173 Ų173130.1 Ų130.176%0.75972%0.723SS**PPolyproline II helixtrans-56.2137.7175.1-68.1-79.9000110.7A275 A279A275-F277 PolarHBondContact O-N 2.87Å; F277-A279 PolarHBondContact O-N 2.66Å
278P49.1Very low49.2Very low114 Ų114128.2 Ų128.274%0.7471%0.708SS**PPolyproline II helixtrans-60.6128.3-176.424.8-34.1000110.3I280P278-I280 PolarHBondContact O-N 2.94Å; P278-I280 VanDerWaalsContact O-N 3.1Å
279A45Very low51.8Low99 Ų99124 Ų12482%0.81868%0.678SS**PPolyproline II helixtrans-56.1117.7-178.500000110.3F277 E281F277-A279 PolarHBondContact O-N 2.66Å; A279-E281 PolarHBondContact O-N 3.24Å; A279-E281 VanDerWaalsContact O-N 3.16Å
280I58.1Low54.3Low68 Ų68121.7 Ų121.735%0.34966%0.661SS.*PPolyproline II helixtrans-62.7119.7174.9-62.6173.7000107.2P278 R282 Y322P278-I280 PolarHBondContact O-N 2.94Å; P278-I280 VanDerWaalsContact O-N 3.1Å; I280-R282 PolarHBondContact O-N 3.18Å; I280-Y322 HydrophobicContact CG2-CE1 3.96Å
281E51.7Low56.8Low144 Ų144116.5 Ų116.567%0.67363%0.625SS**  trans-52.5112.1175.3-67170.3127.200109.4A279 G283 K379A279-E281 PolarHBondContact O-N 3.24Å; A279-E281 VanDerWaalsContact O-N 3.16Å; E281-G283 PolarHBondContact O-N 3.47Å; E281-K379 IonicContact OE2-NZ 2.59Å; E281-K379 PolarHBondContact OE2-NZ 3.44Å
282R48.4Very low59.2Low240 Ų240110.9 Ų110.991%0.90660%0.599SS**  trans-76.556175.1-66.2-170.3-74.4-176.6-3.8110.2I280I280-R282 PolarHBondContact O-N 3.18Å
283G45.7Very low62Low47 Ų47106.6 Ų106.649%0.48557%0.567SS.*  trans-57.3154.7173.200000111E281 Q285E281-G283 PolarHBondContact O-N 3.47Å; G283-Q285 PolarHBondContact O-N 2.89Å
284D50.4Low64.6Low135 Ų13598.9 Ų98.972%0.72253%0.534SS*.  trans-29.3125.3-163.3-98.4-43.1000114.6F286 T287D284-F286 PolarHBondContact O-N 2.92Å; D284-T287 HydrophobicContact CB-CG2 3.66Å; D284-T287 WeakPolarHBondContact O-CB 3.15Å; D284-T287 PolarHBondContact O-N 3.49Å; D284-T287 PolarHBondContact O-OG1 2.8Å
285Q58.7Low67.5Low130 Ų13092 Ų9261%0.60750%0.498SS*.THydrogen-bonded Turntrans-62.2-8.3-156.8-55.8-176.335.800115.3G283 S323 Y324G283-Q285 PolarHBondContact O-N 2.89Å; Q285-S323 CarbonylContact O-C 3.48Å; Q285-S323 WeakPolarHBondContact O-CB 3.45Å; Q285-Y324 PolarHBondContact O-N 3.43Å
286F66.3Low70.2Confident158 Ų15887.7 Ų87.769%0.69346%0.462SS*.THydrogen-bonded Turntrans-119.213.9178.9-53.1-76.3000113.2D284 Y324D284-F286 PolarHBondContact O-N 2.92Å; F286-Y324 VanDerWaalsContact O-CD2 3.32Å; F286-Y324 WeakPolarHBondContact O-CD2 3.27Å
287T81.5Confident73.1Confident79 Ų7981.3 Ų81.349%0.48542%0.423SS..SBendtrans-88.5136175.660.50000111.7D284 P289 Y324D284-T287 HydrophobicContact CB-CG2 3.66Å; D284-T287 WeakPolarHBondContact O-CB 3.15Å; D284-T287 PolarHBondContact O-N 3.49Å; D284-T287 PolarHBondContact O-OG1 2.8Å; T287-P289 WeakPolarHBondContact O-CD 3.38Å; T287-Y324 WeakPolarHBondContact O-CB 3.49Å
288K87.9Confident75.4Confident118 Ų11873 Ų7351%0.51339%0.386SS..PPolyproline II helixtrans-72.2122.7-178.6-176.5173.3-176.9175.40110.8Y324K288-Y324 HydrophobicContact CB-CD1 4.18Å; K288-Y324 HydrophobicContact CB-CD2 4.29Å; K288-Y324 HydrophobicContact CB-CE1 3.83Å; K288-Y324 HydrophobicContact CB-CE2 3.95Å; K288-Y324 HydrophobicContact CB-CG 4.4Å; K288-Y324 HydrophobicContact CD-CE1 4.04Å; K288-Y324 HydrophobicContact CG-CD1 4.12Å; K288-Y324 HydrophobicContact CG-CE1 3.6Å
289P89.1Confident77.6Confident14 Ų1467.8 Ų67.89%0.09135%0.352CS..PPolyproline II helixtrans-59.6144-177.7-25.533.8000113.5T287 Y291 Y322 Y325T287-P289 WeakPolarHBondContact O-CD 3.38Å; P289-Y291 HydrophobicContact CB-CD2 3.96Å; P289-Y291 PolarHBondContact O-N 3.49Å; P289-Y322 HydrophobicContact CB-CD1 3.8Å; P289-Y322 HydrophobicContact CB-CE1 3.98Å; P289-Y322 HydrophobicContact CB-CG 4.33Å; P289-Y322 HydrophobicContact CG-CD1 3.37Å; P289-Y322 HydrophobicContact CG-CE1 4.07Å; P289-Y322 HydrophobicContact CG-CG 3.62Å; P289-Y325 HydrophobicContact CG-CD2 4.43Å; P289-Y325 HydrophobicContact CG-CE2 3.91Å
290P90.6Very high80Confident47 Ų4763.1 Ų63.131%0.30531%0.313SS..SBendtrans-75.629-178.933.5-38.1000114K379 R380P290-K379 HydrophobicContact CB-CB 4.36Å; P290-K379 HydrophobicContact CG-CB 4.08Å; P290-K379 HydrophobicContact CG-CD 4.22Å; P290-K379 HydrophobicContact CG-CG 3.89Å; P290-R380 VanDerWaalsContact O-CB 3.27Å; P290-R380 WeakPolarHBondContact O-CB 3.45Å; P290-R380 PolarHBondContact O-N 2.81Å
291Y92.9Very high81.8Confident24 Ų2459.9 Ų59.99%0.09430%0.297CS..SBendtrans-114.7152.1-178.5-54.7-60.6000110.7P289 L296 Y322 K379 R380P289-Y291 HydrophobicContact CB-CD2 3.96Å; P289-Y291 PolarHBondContact O-N 3.49Å; Y291-L296 HydrophobicContact CD2-CD2 4.3Å; Y291-Y322 HydrophobicContact CD2-CE1 4.04Å; Y291-Y322 AromaticContact CD2-CZ 3.81Å; Y291-Y322 VanDerWaalsContact CD2-OH 3.31Å; Y291-Y322 WeakPolarHBondContact CD2-OH 3.32Å; Y291-Y322 AromaticContact CE2-CE1 3.92Å; Y291-Y322 HydrophobicContact CE2-CE1 3.92Å; Y291-Y322 AromaticContact CE2-CZ 3.86Å; Y291-Y322 WeakPolarHBondContact CE2-OH 3.31Å; Y291-K379 HydrophobicContact CE1-CB 4.42Å; Y291-K379 HydrophobicContact CE1-CG 3.91Å; Y291-R380 PolarHBondContact O-NH2 3.08Å
292S93.8Very high83.8Confident35 Ų3553.8 Ų53.825%0.24527%0.27CS..  trans-85.4162.817574.50000110.6A294 Q295 L296 R380S292-A294 PolarHBondContact O-N 3.1Å; S292-A294 PolarHBondContact OG-N 3.12Å; S292-Q295 WeakPolarHBondContact O-CB 3.36Å; S292-Q295 PolarHBondContact O-N 3.05Å; S292-Q295 WeakPolarHBondContact OG-CG 3.48Å; S292-Q295 PolarHBondContact OG-N 2.8Å; S292-Q295 PolarHBondContact OG-OE1 3.25Å; S292-L296 WeakPolarHBondContact O-CG 3.47Å; S292-L296 PolarHBondContact O-N 3.18Å; S292-R380 VanDerWaalsContact CA-NH2 3.29Å
293Y95.9Very high86Confident53 Ų5344.7 Ų44.721%0.20824%0.243CC..Hα-helixtrans-56.8-39.6173.9-63.5-54.3000112L296 I297 Y325 W332 I336Y293-L296 HydrophobicContact CD1-CD1 4.33Å; Y293-L296 PolarHBondContact O-N 2.92Å; Y293-I297 WeakPolarHBondContact O-CB 3.48Å; Y293-I297 WeakPolarHBondContact O-CD1 3.37Å; Y293-I297 WeakPolarHBondContact O-CG1 3.13Å; Y293-I297 PolarHBondContact O-N 2.88Å; Y293-Y325 HydrophobicContact CE1-CE1 4.05Å; Y293-W332 HydrophobicContact CE1-CB 4.33Å; Y293-I336 HydrophobicContact CD1-CD1 3.85Å; Y293-I336 HydrophobicContact CD1-CG1 4.42Å; Y293-I336 HydrophobicContact CG-CD1 4.35Å
294A94.8Very high88.3Confident13 Ų1345.7 Ų45.711%0.10724%0.235CC..Hα-helixtrans-63.4-40.6171.600000113.4S292 I297 A298 F346S292-A294 PolarHBondContact O-N 3.1Å; S292-A294 PolarHBondContact OG-N 3.12Å; A294-I297 PolarHBondContact O-N 3.12Å; A294-A298 WeakPolarHBondContact O-CB 3.5Å; A294-A298 PolarHBondContact O-N 3.09Å; A294-F346 HydrophobicContact CB-CE2 4Å; A294-F346 HydrophobicContact CB-CZ 4.16Å; A294-F346 WeakPolarHBondContact O-CZ 3.37Å
295Q95Very high90.3Very high16 Ų1645.4 Ų45.48%0.07524%0.241CC..Hα-helixtrans-64.5-41.1174.5-71.3172.5-74.200111.7S292 A298 Q299 I375 R378S292-Q295 WeakPolarHBondContact O-CB 3.36Å; S292-Q295 PolarHBondContact O-N 3.05Å; S292-Q295 WeakPolarHBondContact OG-CG 3.48Å; S292-Q295 PolarHBondContact OG-N 2.8Å; S292-Q295 PolarHBondContact OG-OE1 3.25Å; Q295-A298 PolarHBondContact O-N 2.83Å; Q295-Q299 VanDerWaalsContact O-CG 3.3Å; Q295-Q299 WeakPolarHBondContact O-CG 3.46Å; Q295-Q299 PolarHBondContact O-N 2.97Å; Q295-I375 HydrophobicContact CG-CG2 4.28Å; Q295-I375 PolarHBondContact NE2-O 3.09Å; Q295-R378 PolarHBondContact NE2-O 3Å
296L95.7Very high91.9Very high0 Ų043.1 Ų43.10%023%0.233CC..Hα-helixtrans-66-41.1177.6-68.2169.7000112.1Y291 S292 Y293 Q299 A300 I318 Y322 Y325Y291-L296 HydrophobicContact CD2-CD2 4.3Å; S292-L296 WeakPolarHBondContact O-CG 3.47Å; S292-L296 PolarHBondContact O-N 3.18Å; Y293-L296 HydrophobicContact CD1-CD1 4.33Å; Y293-L296 PolarHBondContact O-N 2.92Å; L296-Q299 PolarHBondContact O-N 2.99Å; L296-A300 WeakPolarHBondContact O-CB 3.29Å; L296-A300 PolarHBondContact O-N 3.13Å; L296-I318 HydrophobicContact CB-CD1 3.82Å; L296-I318 HydrophobicContact CB-CG1 4.14Å; L296-Y322 HydrophobicContact CD2-CD2 3.73Å; L296-Y322 HydrophobicContact CD2-CE2 3.28Å; L296-Y325 HydrophobicContact CD1-CE2 3.69Å
297I96.5Very high93.1Very high0 Ų040.5 Ų40.50%022%0.218CC..Hα-helixtrans-62.6-44.7172.5-67.9159.4000110.5Y293 A294 A300 I301 I314 I336 N339 L340 F346Y293-I297 WeakPolarHBondContact O-CB 3.48Å; Y293-I297 WeakPolarHBondContact O-CD1 3.37Å; Y293-I297 WeakPolarHBondContact O-CG1 3.13Å; Y293-I297 PolarHBondContact O-N 2.88Å; A294-I297 PolarHBondContact O-N 3.12Å; I297-A300 WeakPolarHBondContact O-CB 3.45Å; I297-A300 PolarHBondContact O-N 3.13Å; I297-I301 HydrophobicContact CG2-CD1 3.72Å; I297-I301 HydrophobicContact CG2-CG1 4.39Å; I297-I301 WeakPolarHBondContact O-CG1 3.42Å; I297-I301 PolarHBondContact O-N 3.21Å; I297-I314 HydrophobicContact CG1-CG2 4.12Å; I297-I314 HydrophobicContact CG2-CD1 4.46Å; I297-I336 HydrophobicContact CD1-CD1 4.17Å; I297-I336 HydrophobicContact CD1-CG2 4.27Å; I297-I336 HydrophobicContact CG1-CD1 3.94Å; I297-I336 HydrophobicContact CG1-CG2 4.26Å; I297-N339 HydrophobicContact CD1-CB 3.75Å; I297-L340 HydrophobicContact CD1-CD2 4.01Å; I297-L340 HydrophobicContact CD1-CG 3.95Å; I297-L340 HydrophobicContact CG1-CD2 4.38Å; I297-L340 HydrophobicContact CG2-CD2 3.66Å; I297-F346 HydrophobicContact CB-CE1 4.18Å; I297-F346 HydrophobicContact CB-CE2 4.25Å; I297-F346 HydrophobicContact CB-CZ 3.89Å; I297-F346 HydrophobicContact CD1-CE2 4.23Å; I297-F346 HydrophobicContact CG2-CD1 3.72Å; I297-F346 HydrophobicContact CG2-CD2 4.21Å; I297-F346 HydrophobicContact CG2-CE1 3.48Å; I297-F346 VanDerWaalsContact CG2-CE1 3.48Å; I297-F346 HydrophobicContact CG2-CE2 4Å; I297-F346 HydrophobicContact CG2-CG 4.09Å; I297-F346 HydrophobicContact CG2-CZ 3.64Å
298A95.6Very high93.8Very high0 Ų039.9 Ų39.90%021%0.209CC..Hα-helixtrans-63.1-43.2178.200000112A294 Q295 A300 S302 F346 I364 L372 A376A294-A298 WeakPolarHBondContact O-CB 3.5Å; A294-A298 PolarHBondContact O-N 3.09Å; Q295-A298 PolarHBondContact O-N 2.83Å; A298-A300 PolarHBondContact O-N 3.46Å; A298-S302 WeakPolarHBondContact O-CB 3.3Å; A298-S302 PolarHBondContact O-N 2.81Å; A298-S302 PolarHBondContact O-OG 2.95Å; A298-F346 HydrophobicContact CB-CE1 4.46Å; A298-I364 HydrophobicContact CB-CD1 4.22Å; A298-L372 HydrophobicContact CB-CB 4.5Å; A298-A376 HydrophobicContact CB-CB 3.96Å
299Q95.3Very high94.1Very high4 Ų435.1 Ų35.12%0.01919%0.189CC..Hα-helixtrans-56.3-48.9171-71.4172.113.900111Q295 L296 S302 S303 F317 Y322 A376 F377Q295-Q299 VanDerWaalsContact O-CG 3.3Å; Q295-Q299 WeakPolarHBondContact O-CG 3.46Å; Q295-Q299 PolarHBondContact O-N 2.97Å; L296-Q299 PolarHBondContact O-N 2.99Å; Q299-S302 WeakPolarHBondContact CA-OG 3.46Å; Q299-S302 PolarHBondContact O-N 3.13Å; Q299-S302 PolarHBondContact O-OG 3.32Å; Q299-S303 PolarHBondContact O-N 2.88Å; Q299-S303 VanDerWaalsContact O-N 3.14Å; Q299-F317 HydrophobicContact CB-CE1 3.89Å; Q299-F317 HydrophobicContact CB-CZ 4.15Å; Q299-Y322 PolarHBondContact OE1-OH 2.76Å; Q299-A376 HydrophobicContact CG-CB 4.12Å; Q299-A376 PolarHBondContact NE2-O 2.86Å; Q299-F377 HydrophobicContact CG-CD1 4.33Å; Q299-F377 HydrophobicContact CG-CE1 3.98Å; Q299-F377 HydrophobicContact CG-CZ 4.25Å
300A96.3Very high94.5Very high0 Ų036.1 Ų36.10%020%0.195CC..Hα-helixtrans-59.3-51.6-178.400000112.5L296 I297 A298 S302 S303 L309 I314 F317L296-A300 WeakPolarHBondContact O-CB 3.29Å; L296-A300 PolarHBondContact O-N 3.13Å; I297-A300 WeakPolarHBondContact O-CB 3.45Å; I297-A300 PolarHBondContact O-N 3.13Å; A298-A300 PolarHBondContact O-N 3.46Å; A300-S302 VanDerWaalsContact C-N 3.33Å; A300-S302 PolarHBondContact O-N 2.83Å; A300-S303 WeakPolarHBondContact O-CB 3.32Å; A300-S303 PolarHBondContact O-N 3.49Å; A300-S303 PolarHBondContact O-OG 2.97Å; A300-L309 HydrophobicContact CB-CD2 3.85Å; A300-I314 HydrophobicContact CB-CG1 4.44Å; A300-I314 HydrophobicContact CB-CG2 4.49Å; A300-F317 VanDerWaalsContact CA-CD1 3.42Å; A300-F317 VanDerWaalsContact CA-CE1 3.41Å; A300-F317 HydrophobicContact CB-CB 4.05Å; A300-F317 HydrophobicContact CB-CD1 3.36Å; A300-F317 HydrophobicContact CB-CD2 4.49Å; A300-F317 HydrophobicContact CB-CE1 3.84Å; A300-F317 HydrophobicContact CB-CG 3.72Å
301I95.9Very high94.8Very high1 Ų136.5 Ų36.51%0.00519%0.194CC..Hα-helixtrans-66-37.1179.4-62.4170.7000110.9I297 S303 Q304 R307 L309 F346 W362 I364I297-I301 HydrophobicContact CG2-CD1 3.72Å; I297-I301 HydrophobicContact CG2-CG1 4.39Å; I297-I301 WeakPolarHBondContact O-CG1 3.42Å; I297-I301 PolarHBondContact O-N 3.21Å; I301-S303 PolarHBondContact O-N 2.82Å; I301-Q304 PolarHBondContact O-N 3.01Å; I301-R307 WeakPolarHBondContact CG2-O 3.31Å; I301-L309 HydrophobicContact CG1-CB 4.17Å; I301-F346 HydrophobicContact CD1-CD1 4.11Å; I301-W362 HydrophobicContact CD1-CB 4.31Å; I301-I364 HydrophobicContact CB-CD1 4.32Å; I301-I364 HydrophobicContact CB-CG1 4.19Å; I301-I364 HydrophobicContact CD1-CG1 4.2Å; I301-I364 HydrophobicContact CG2-CD1 4.31Å; I301-I364 HydrophobicContact CG2-CG1 3.97Å
302S93.8Very high94.9Very high16 Ų1638.4 Ų38.411%0.11221%0.211CC..Hα-helixtrans-65.7-22.7177.875.20000114.3A298 Q299 A300 Q304 R307A298-S302 WeakPolarHBondContact O-CB 3.3Å; A298-S302 PolarHBondContact O-N 2.81Å; A298-S302 PolarHBondContact O-OG 2.95Å; Q299-S302 WeakPolarHBondContact CA-OG 3.46Å; Q299-S302 PolarHBondContact O-N 3.13Å; Q299-S302 PolarHBondContact O-OG 3.32Å; A300-S302 VanDerWaalsContact C-N 3.33Å; A300-S302 PolarHBondContact O-N 2.83Å; S302-Q304 VanDerWaalsContact C-N 3.29Å; S302-Q304 PolarHBondContact O-N 3.02Å; S302-R307 PolarHBondContact O-NH1 3.1Å; S302-R307 VanDerWaalsContact O-NH1 3.09Å
303S93.8Very high95Very high48 Ų4837.4 Ų37.434%0.33621%0.206SC..THydrogen-bonded Turntrans-75.3-16.3-178.977.10000114.2Q299 A300 I301 F317Q299-S303 PolarHBondContact O-N 2.88Å; Q299-S303 VanDerWaalsContact O-N 3.14Å; A300-S303 WeakPolarHBondContact O-CB 3.32Å; A300-S303 PolarHBondContact O-N 3.49Å; A300-S303 PolarHBondContact O-OG 2.97Å; I301-S303 PolarHBondContact O-N 2.82Å; S303-F317 WeakPolarHBondContact OG-CD2 3.36Å; S303-F317 VanDerWaalsContact OG-CE2 3.27Å; S303-F317 WeakPolarHBondContact OG-CE2 3.48Å
304Q94Very high95.1Very high68 Ų6834.9 Ų34.932%0.31820%0.196SC..SBendtrans-93142-179.7-54.8-58-87.300110.5I301 S302 D306 R307 L309I301-Q304 PolarHBondContact O-N 3.01Å; S302-Q304 VanDerWaalsContact C-N 3.29Å; S302-Q304 PolarHBondContact O-N 3.02Å; Q304-D306 VanDerWaalsContact C-N 3.25Å; Q304-D306 VanDerWaalsContact CB-OD1 3.25Å; Q304-D306 WeakPolarHBondContact CB-OD1 3.4Å; Q304-D306 PolarHBondContact O-N 3.48Å; Q304-R307 PolarHBondContact O-N 3.31Å; Q304-L309 HydrophobicContact CG-CB 4.39Å; Q304-L309 HydrophobicContact CG-CD1 3.95Å; Q304-L309 HydrophobicContact CG-CD2 4.34Å; Q304-L309 HydrophobicContact CG-CG 4.45Å
305P93Very high95.2Very high130 Ų13035.6 Ų35.684%0.84420%0.197SC*.THydrogen-bonded Turntrans-67.1-27.4-179.328.2-35.1000112.6
306D92.2Very high95.2Very high82 Ų8237.2 Ų37.244%0.43921%0.206SC..THydrogen-bonded Turntrans-88.91.4-179.367.6-5.5000114Q304 K308Q304-D306 VanDerWaalsContact C-N 3.25Å; Q304-D306 VanDerWaalsContact CB-OD1 3.25Å; Q304-D306 WeakPolarHBondContact CB-OD1 3.4Å; Q304-D306 PolarHBondContact O-N 3.48Å; D306-K308 HydrophobicContact CB-CG 4.1Å; D306-K308 PolarHBondContact O-N 3.48Å; D306-K308 VanDerWaalsContact O-N 3.08Å; D306-K308 PolarHBondContact OD1-N 3.22Å; D306-K308 VanDerWaalsContact OD1-N 3.17Å; D306-K308 VanDerWaalsContact OD1-O 3.04Å; D306-K308 WeakPolarHBondContact OD2-CE 3.48Å; D306-K308 WeakPolarHBondContact OD2-CG 3.27Å
307R92.6Very high95.3Very high102 Ų10238.4 Ų38.439%0.38521%0.211SC..SBendtrans52.425.7-178-66.3-59.2-144.7-111-10.8115.1I301 S302 Q304 R363 E369I301-R307 WeakPolarHBondContact CG2-O 3.31Å; S302-R307 PolarHBondContact O-NH1 3.1Å; S302-R307 VanDerWaalsContact O-NH1 3.09Å; Q304-R307 PolarHBondContact O-N 3.31Å; R307-R363 VanDerWaalsContact O-CB 3.28Å; R307-R363 WeakPolarHBondContact O-CB 3.41Å; R307-E369 IonicContact CZ-OE1 3.07Å; R307-E369 IonicContact NE-OE1 2.68Å; R307-E369 PolarHBondContact NE-OE1 2.84Å; R307-E369 IonicContact NH2-OE1 3.12Å; R307-E369 PolarHBondContact NH2-OE1 3.5Å; R307-E369 VanDerWaalsContact NH2-OE1 3.12Å
308K94.3Very high95.2Very high67 Ų6738.4 Ų38.429%0.29121%0.211SC..EExtended strand (participates in β ladder)trans-133.1150.117460.6176.7-178.9173.30110.1D306 F361 W362 R363D306-K308 HydrophobicContact CB-CG 4.1Å; D306-K308 PolarHBondContact O-N 3.48Å; D306-K308 VanDerWaalsContact O-N 3.08Å; D306-K308 PolarHBondContact OD1-N 3.22Å; D306-K308 VanDerWaalsContact OD1-N 3.17Å; D306-K308 VanDerWaalsContact OD1-O 3.04Å; D306-K308 WeakPolarHBondContact OD2-CE 3.48Å; D306-K308 WeakPolarHBondContact OD2-CG 3.27Å; K308-F361 HydrophobicContact CB-CB 4.24Å; K308-F361 HydrophobicContact CB-CD1 4.3Å; K308-F361 HydrophobicContact CD-CB 4.34Å; K308-F361 HydrophobicContact CD-CD1 3.87Å; K308-F361 HydrophobicContact CD-CD2 4.29Å; K308-F361 HydrophobicContact CD-CE1 4.17Å; K308-F361 HydrophobicContact CD-CG 3.93Å; K308-F361 HydrophobicContact CG-CD1 4.01Å; K308-F361 HydrophobicContact CG-CE1 4.45Å; K308-F361 HydrophobicContact CG-CG 4.42Å; K308-W362 CarbonylContact C-O 3.12Å; K308-W362 WeakPolarHBondContact CA-O 3.32Å; K308-R363 HydrophobicContact CB-CB 4.28Å
309L95.6Very high95.2Very high17 Ų1739.6 Ų39.69%0.08922%0.219CC..EExtended strand (participates in β ladder)trans-146.9145.8177.7-168.451.6000111A300 I301 Q304 I314 W362A300-L309 HydrophobicContact CB-CD2 3.85Å; I301-L309 HydrophobicContact CG1-CB 4.17Å; Q304-L309 HydrophobicContact CG-CB 4.39Å; Q304-L309 HydrophobicContact CG-CD1 3.95Å; Q304-L309 HydrophobicContact CG-CD2 4.34Å; Q304-L309 HydrophobicContact CG-CG 4.45Å; L309-I314 HydrophobicContact CB-CG1 4.18Å; L309-I314 HydrophobicContact CD2-CG1 3.82Å; L309-I314 HydrophobicContact CG-CG1 3.91Å; L309-W362 PolarHBondContact N-O 2.85Å; L309-W362 PolarHBondContact O-N 3.15Å
310T96.4Very high95.1Very high36 Ų3648.3 Ų48.322%0.22125%0.252CS..EExtended strand (participates in β ladder)trans-76.2159.4175.5710000110.6S312 G313 I314 F361T310-S312 PolarHBondContact O-N 2.8Å; T310-G313 PolarHBondContact O-N 3.12Å; T310-G313 VanDerWaalsContact O-N 3.12Å; T310-G313 PolarHBondContact OG1-N 3.33Å; T310-I314 WeakPolarHBondContact O-CG1 3.17Å; T310-I314 PolarHBondContact O-N 3.47Å; T310-F361 HydrophobicContact CG2-CD1 3.9Å; T310-F361 HydrophobicContact CG2-CE1 3.83Å
311L96.7Very high95Very high54 Ų5450.9 Ų50.928%0.28327%0.266SS..Hα-helixtrans-57.2-34176.2178.761.7000113Y315 I336 R337 L340L311-Y315 HydrophobicContact CD1-CE1 3.88Å; L311-Y315 HydrophobicContact CG-CE1 4.37Å; L311-Y315 HydrophobicContact CG-CE2 4.1Å; L311-Y315 WeakPolarHBondContact O-CD2 3.44Å; L311-Y315 PolarHBondContact O-N 3Å; L311-I336 HydrophobicContact CD1-CG2 4.37Å; L311-R337 HydrophobicContact CD1-CG 3.95Å; L311-R337 HydrophobicContact CD2-CG 3.95Å; L311-L340 HydrophobicContact CD1-CD1 3.61Å
312S95.7Very high94.8Very high64 Ų6451.8 Ų51.845%0.44827%0.269SS..Hα-helixtrans-66.9-51.6173.7-164.20000110.7T310 I314 Y315 D316T310-S312 PolarHBondContact O-N 2.8Å; S312-I314 PolarHBondContact O-N 3.26Å; S312-I314 VanDerWaalsContact O-N 3.1Å; S312-Y315 WeakPolarHBondContact O-CA 3.07Å; S312-Y315 VanDerWaalsContact O-CB 3.3Å; S312-Y315 WeakPolarHBondContact O-CB 3.48Å; S312-Y315 PolarHBondContact O-N 2.94Å; S312-D316 PolarHBondContact O-N 3.43Å; S312-D316 PolarHBondContact OG-OD2 3.46Å; S312-D316 VanDerWaalsContact OG-OD2 3.08Å
313G95.8Very high94.7Very high15 Ų1554.1 Ų54.116%0.15529%0.285CS..Hα-helixtrans-57.5-30.7-178.800000113.6T310 D316 F317T310-G313 PolarHBondContact O-N 3.12Å; T310-G313 VanDerWaalsContact O-N 3.12Å; T310-G313 PolarHBondContact OG1-N 3.33Å; G313-D316 PolarHBondContact N-OD2 3.27Å; G313-D316 PolarHBondContact O-N 2.98Å; G313-F317 VanDerWaalsContact O-CB 3.27Å; G313-F317 WeakPolarHBondContact O-CB 3.49Å; G313-F317 PolarHBondContact O-N 2.88Å
314I97.1Very high94.6Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-64.8-42.5171.2-65.6168.7000111.3I297 A300 L309 T310 S312 I318 I336 L340 W362I297-I314 HydrophobicContact CG1-CG2 4.12Å; I297-I314 HydrophobicContact CG2-CD1 4.46Å; A300-I314 HydrophobicContact CB-CG1 4.44Å; A300-I314 HydrophobicContact CB-CG2 4.49Å; L309-I314 HydrophobicContact CB-CG1 4.18Å; L309-I314 HydrophobicContact CD2-CG1 3.82Å; L309-I314 HydrophobicContact CG-CG1 3.91Å; T310-I314 WeakPolarHBondContact O-CG1 3.17Å; T310-I314 PolarHBondContact O-N 3.47Å; S312-I314 PolarHBondContact O-N 3.26Å; S312-I314 VanDerWaalsContact O-N 3.1Å; I314-I318 HydrophobicContact CG2-CD1 3.85Å; I314-I318 WeakPolarHBondContact O-CB 3.41Å; I314-I318 WeakPolarHBondContact O-CD1 3.26Å; I314-I318 WeakPolarHBondContact O-CG1 3.13Å; I314-I318 PolarHBondContact O-N 2.81Å; I314-I336 HydrophobicContact CG2-CG2 3.75Å; I314-L340 HydrophobicContact CD1-CD1 4.04Å; I314-L340 HydrophobicContact CD1-CD2 4.12Å; I314-W362 HydrophobicContact CD1-CB 4.34Å
315Y97.2Very high94.6Very high28 Ų2853 Ų5311%0.1127%0.271CS..Hα-helixtrans-63.9-46.5173.4-53-37.1000111.1L311 S312 F317 I318 S319 W332 Q333 I336 R337L311-Y315 HydrophobicContact CD1-CE1 3.88Å; L311-Y315 HydrophobicContact CG-CE1 4.37Å; L311-Y315 HydrophobicContact CG-CE2 4.1Å; L311-Y315 WeakPolarHBondContact O-CD2 3.44Å; L311-Y315 PolarHBondContact O-N 3Å; S312-Y315 WeakPolarHBondContact O-CA 3.07Å; S312-Y315 VanDerWaalsContact O-CB 3.3Å; S312-Y315 WeakPolarHBondContact O-CB 3.48Å; S312-Y315 PolarHBondContact O-N 2.94Å; Y315-F317 PolarHBondContact O-N 3.33Å; Y315-I318 PolarHBondContact O-N 2.87Å; Y315-S319 WeakPolarHBondContact O-CB 3.46Å; Y315-S319 PolarHBondContact O-N 2.98Å; Y315-W332 HydrophobicContact CD1-CH2 4.14Å; Y315-W332 AromaticContact CD1-CZ3 3.89Å; Y315-W332 HydrophobicContact CD1-CZ3 3.89Å; Y315-W332 HydrophobicContact CG-CH2 4.3Å; Y315-W332 HydrophobicContact CG-CZ3 4.49Å; Y315-Q333 HydrophobicContact CD1-CB 4.17Å; Y315-Q333 HydrophobicContact CD1-CG 3.9Å; Y315-Q333 HydrophobicContact CE1-CB 3.64Å; Y315-Q333 HydrophobicContact CE1-CG 3.89Å; Y315-Q333 HydrophobicContact CG-CG 4.25Å; Y315-I336 HydrophobicContact CD1-CG2 4.34Å; Y315-I336 HydrophobicContact CE1-CB 4.22Å; Y315-I336 HydrophobicContact CE1-CG2 4.04Å; Y315-R337 WeakPolarHBondContact OH-CD 3.12Å; Y315-R337 WeakPolarHBondContact OH-CG 3.49Å; Y315-R337 PolarHBondContact OH-NH1 1.91Å
316D96.3Very high94.5Very high50 Ų5051.2 Ų51.227%0.26725%0.252SS..Hα-helixtrans-64.4-41.2-174.8-56.1-41.5000111.4S312 G313 R320S312-D316 PolarHBondContact O-N 3.43Å; S312-D316 PolarHBondContact OG-OD2 3.46Å; S312-D316 VanDerWaalsContact OG-OD2 3.08Å; G313-D316 PolarHBondContact N-OD2 3.27Å; G313-D316 PolarHBondContact O-N 2.98Å; D316-R320 WeakPolarHBondContact O-CB 3.45Å; D316-R320 PolarHBondContact O-N 3.12Å; D316-R320 VanDerWaalsContact O-N 3.07Å
317F96.4Very high94.5Very high24 Ų2451.7 Ų51.711%0.10525%0.254CS..Hα-helixtrans-62.8-47.8172.6177.2-86.8000112.4Q299 A300 S303 G313 Y315 S319 R320 N321Q299-F317 HydrophobicContact CB-CE1 3.89Å; Q299-F317 HydrophobicContact CB-CZ 4.15Å; A300-F317 VanDerWaalsContact CA-CD1 3.42Å; A300-F317 VanDerWaalsContact CA-CE1 3.41Å; A300-F317 HydrophobicContact CB-CB 4.05Å; A300-F317 HydrophobicContact CB-CD1 3.36Å; A300-F317 HydrophobicContact CB-CD2 4.49Å; A300-F317 HydrophobicContact CB-CE1 3.84Å; A300-F317 HydrophobicContact CB-CG 3.72Å; S303-F317 WeakPolarHBondContact OG-CD2 3.36Å; S303-F317 VanDerWaalsContact OG-CE2 3.27Å; S303-F317 WeakPolarHBondContact OG-CE2 3.48Å; G313-F317 VanDerWaalsContact O-CB 3.27Å; G313-F317 WeakPolarHBondContact O-CB 3.49Å; G313-F317 PolarHBondContact O-N 2.88Å; Y315-F317 PolarHBondContact O-N 3.33Å; F317-S319 PolarHBondContact O-N 3.43Å; F317-R320 PolarHBondContact O-N 3.23Å; F317-N321 VanDerWaalsContact CE1-ND2 3.34Å; F317-N321 WeakPolarHBondContact CE1-ND2 3.36Å; F317-N321 WeakPolarHBondContact CE2-ND2 3.22Å; F317-N321 WeakPolarHBondContact CZ-ND2 3.49Å; F317-N321 WeakPolarHBondContact O-CB 3.36Å; F317-N321 PolarHBondContact O-N 3.19Å; F317-N321 VanDerWaalsContact O-N 3.09Å
318I96.1Very high94.4Very high0 Ų050.5 Ų50.50%027%0.266CS..Hα-helixtrans-65.1-41.9-176.4-71172.1000110.5L296 I314 Y315 Y322 Y325 W332 I336L296-I318 HydrophobicContact CB-CD1 3.82Å; L296-I318 HydrophobicContact CB-CG1 4.14Å; I314-I318 HydrophobicContact CG2-CD1 3.85Å; I314-I318 WeakPolarHBondContact O-CB 3.41Å; I314-I318 WeakPolarHBondContact O-CD1 3.26Å; I314-I318 WeakPolarHBondContact O-CG1 3.13Å; I314-I318 PolarHBondContact O-N 2.81Å; Y315-I318 PolarHBondContact O-N 2.87Å; I318-Y322 WeakPolarHBondContact O-CB 3.43Å; I318-Y322 PolarHBondContact O-N 2.83Å; I318-Y325 HydrophobicContact CG2-CD2 3.54Å; I318-Y325 HydrophobicContact CG2-CE2 4.3Å; I318-Y325 HydrophobicContact CG2-CG 3.86Å; I318-W332 HydrophobicContact CB-CH2 4.42Å; I318-W332 HydrophobicContact CB-CZ3 4.15Å; I318-W332 HydrophobicContact CD1-CZ3 4.43Å; I318-W332 HydrophobicContact CG2-CE3 4.4Å; I318-W332 HydrophobicContact CG2-CH2 4.32Å; I318-W332 HydrophobicContact CG2-CZ3 3.92Å; I318-I336 HydrophobicContact CD1-CD1 3.48Å; I318-I336 VanDerWaalsContact CD1-CD1 3.48Å; I318-I336 HydrophobicContact CD1-CG1 4.2Å
319S94.1Very high94.2Very high26 Ų2651.3 Ų51.318%0.18227%0.273CS..Hα-helixtrans-68.7-42.7179.4-159.30000112.4Y315 F317 N321 Y322 Y325 L327Y315-S319 WeakPolarHBondContact O-CB 3.46Å; Y315-S319 PolarHBondContact O-N 2.98Å; F317-S319 PolarHBondContact O-N 3.43Å; S319-N321 VanDerWaalsContact C-N 3.32Å; S319-N321 PolarHBondContact O-N 2.83Å; S319-Y322 CarbonylContact O-C 3.55Å; S319-Y322 PolarHBondContact O-N 3.11Å; S319-Y325 WeakPolarHBondContact CA-O 3.41Å; S319-Y325 WeakPolarHBondContact CB-O 3.32Å; S319-Y325 PolarHBondContact OG-O 3.09Å; S319-L327 WeakPolarHBondContact OG-CD1 3.49Å
320R94.4Very high94.1Very high187 Ų18758.3 Ų58.371%0.70630%0.303SS*.Hα-helixtrans-62.7-36.3178-171.4-176-56134.47113.1D316 F317D316-R320 WeakPolarHBondContact O-CB 3.45Å; D316-R320 PolarHBondContact O-N 3.12Å; D316-R320 VanDerWaalsContact O-N 3.07Å; F317-R320 PolarHBondContact O-N 3.23Å
321N93Very high94Very high54 Ų5459 Ų5929%0.28932%0.318SS..Hα-helixtrans-90.9-20.1-177.4-66.7-2.5000113.4F317 S319F317-N321 VanDerWaalsContact CE1-ND2 3.34Å; F317-N321 WeakPolarHBondContact CE1-ND2 3.36Å; F317-N321 WeakPolarHBondContact CE2-ND2 3.22Å; F317-N321 WeakPolarHBondContact CZ-ND2 3.49Å; F317-N321 WeakPolarHBondContact O-CB 3.36Å; F317-N321 PolarHBondContact O-N 3.19Å; F317-N321 VanDerWaalsContact O-N 3.09Å; S319-N321 VanDerWaalsContact C-N 3.32Å; S319-N321 PolarHBondContact O-N 2.83Å
322Y92.7Very high93.9Very high20 Ų2057.1 Ų57.18%0.07831%0.307CS..  trans-142.190.1-174.4-56.2-72.2000111.1I280 P289 Y291 L296 Q299 I318 S319 Y324 Y325I280-Y322 HydrophobicContact CG2-CE1 3.96Å; P289-Y322 HydrophobicContact CB-CD1 3.8Å; P289-Y322 HydrophobicContact CB-CE1 3.98Å; P289-Y322 HydrophobicContact CB-CG 4.33Å; P289-Y322 HydrophobicContact CG-CD1 3.37Å; P289-Y322 HydrophobicContact CG-CE1 4.07Å; P289-Y322 HydrophobicContact CG-CG 3.62Å; Y291-Y322 HydrophobicContact CD2-CE1 4.04Å; Y291-Y322 AromaticContact CD2-CZ 3.81Å; Y291-Y322 VanDerWaalsContact CD2-OH 3.31Å; Y291-Y322 WeakPolarHBondContact CD2-OH 3.32Å; Y291-Y322 AromaticContact CE2-CE1 3.92Å; Y291-Y322 HydrophobicContact CE2-CE1 3.92Å; Y291-Y322 AromaticContact CE2-CZ 3.86Å; Y291-Y322 WeakPolarHBondContact CE2-OH 3.31Å; L296-Y322 HydrophobicContact CD2-CD2 3.73Å; L296-Y322 HydrophobicContact CD2-CE2 3.28Å; Q299-Y322 PolarHBondContact OE1-OH 2.76Å; I318-Y322 WeakPolarHBondContact O-CB 3.43Å; I318-Y322 PolarHBondContact O-N 2.83Å; S319-Y322 CarbonylContact O-C 3.55Å; S319-Y322 PolarHBondContact O-N 3.11Å; Y322-Y324 PolarHBondContact O-N 3.16Å; Y322-Y325 PolarHBondContact O-N 2.98Å
323S90.7Very high94Very high64 Ų6455.2 Ų55.245%0.44829%0.291SS..THydrogen-bonded Turntrans-52.8-21.7-175.5-48.70000115.6Q285 Y325Q285-S323 CarbonylContact O-C 3.48Å; Q285-S323 WeakPolarHBondContact O-CB 3.45Å; S323-Y325 PolarHBondContact O-N 2.93Å
324Y91.8Very high94Very high88 Ų8858.9 Ų58.935%0.34531%0.307SS..THydrogen-bonded Turntrans-57.1-30.2170.2175.5-96.8000114.1Q285 F286 T287 K288 Y322Q285-Y324 PolarHBondContact O-N 3.43Å; F286-Y324 VanDerWaalsContact O-CD2 3.32Å; F286-Y324 WeakPolarHBondContact O-CD2 3.27Å; T287-Y324 WeakPolarHBondContact O-CB 3.49Å; K288-Y324 HydrophobicContact CB-CD1 4.18Å; K288-Y324 HydrophobicContact CB-CD2 4.29Å; K288-Y324 HydrophobicContact CB-CE1 3.83Å; K288-Y324 HydrophobicContact CB-CE2 3.95Å; K288-Y324 HydrophobicContact CB-CG 4.4Å; K288-Y324 HydrophobicContact CD-CE1 4.04Å; K288-Y324 HydrophobicContact CG-CD1 4.12Å; K288-Y324 HydrophobicContact CG-CE1 3.6Å; Y322-Y324 PolarHBondContact O-N 3.16Å
325Y93.5Very high94Very high4 Ų460.5 Ų60.52%0.01632%0.318CS..SBendtrans-99.784.7-177.3-69.1-61.9000111.1P289 Y293 L296 I318 S319 Y322 S323 W332P289-Y325 HydrophobicContact CG-CD2 4.43Å; P289-Y325 HydrophobicContact CG-CE2 3.91Å; Y293-Y325 HydrophobicContact CE1-CE1 4.05Å; L296-Y325 HydrophobicContact CD1-CE2 3.69Å; I318-Y325 HydrophobicContact CG2-CD2 3.54Å; I318-Y325 HydrophobicContact CG2-CE2 4.3Å; I318-Y325 HydrophobicContact CG2-CG 3.86Å; S319-Y325 WeakPolarHBondContact CA-O 3.41Å; S319-Y325 WeakPolarHBondContact CB-O 3.32Å; S319-Y325 PolarHBondContact OG-O 3.09Å; Y322-Y325 PolarHBondContact O-N 2.98Å; S323-Y325 PolarHBondContact O-N 2.93Å; Y325-W332 HydrophobicContact CD1-CB 3.72Å; Y325-W332 AromaticContact CD1-CD1 3.86Å; Y325-W332 AromaticContact CD1-CD2 3.86Å; Y325-W332 HydrophobicContact CD1-CD2 3.86Å; Y325-W332 HydrophobicContact CD1-CE3 4.37Å; Y325-W332 AromaticContact CD1-CG 3.55Å; Y325-W332 HydrophobicContact CD1-CG 3.55Å; Y325-W332 HydrophobicContact CE1-CB 3.92Å; Y325-W332 HydrophobicContact CE1-CG 4.26Å; Y325-W332 HydrophobicContact CG-CD2 4.27Å; Y325-W332 HydrophobicContact CG-CG 4.38Å
326Q91.6Very high94Very high94 Ų9459.1 Ų59.144%0.43931%0.313SS..  trans-77.8144.7-177.1-58.5-174.111.400112.6A328 D329 W332Q326-A328 PolarHBondContact O-N 2.86Å; Q326-A328 VanDerWaalsContact O-N 3.13Å; Q326-D329 PolarHBondContact O-N 3.28Å; Q326-W332 PolarHBondContact O-NE1 3.05Å
327L91.6Very high94.1Very high91 Ų9161.1 Ų61.148%0.47632%0.316SS..THydrogen-bonded Turntrans-61.7-19.7178.2-107.766.8000114.3S319 D329 Q333S319-L327 WeakPolarHBondContact OG-CD1 3.49Å; L327-D329 VanDerWaalsContact C-N 3.33Å; L327-Q333 PolarHBondContact O-NE2 2.84Å
328A91.5Very high94.1Very high77 Ų7764.5 Ų64.564%0.63633%0.332SS*.THydrogen-bonded Turntrans-68.6-30172.900000113Q326 K330Q326-A328 PolarHBondContact O-N 2.86Å; Q326-A328 VanDerWaalsContact O-N 3.13Å; A328-K330 PolarHBondContact O-N 3.14Å
329D90.7Very high94.1Very high84 Ų8465.8 Ų65.845%0.44934%0.339SS..  trans-82.688.2-169.7-76.7-39.2000113.1Q326 L327 G331 W332Q326-D329 PolarHBondContact O-N 3.28Å; L327-D329 VanDerWaalsContact C-N 3.33Å; D329-G331 PolarHBondContact O-N 3.33Å; D329-W332 VanDerWaalsContact CB-CD1 3.42Å; D329-W332 PolarHBondContact O-N 2.91Å; D329-W332 PolarHBondContact O-NE1 3.23Å
330K93Very high94.2Very high165 Ų16564.7 Ų64.772%0.71733%0.332SS*.Hα-helixtrans-56.7-18.4177.6-63175.6-176.3174.70114.2A328 N334A328-K330 PolarHBondContact O-N 3.14Å; K330-N334 WeakPolarHBondContact O-CB 3.45Å; K330-N334 PolarHBondContact O-N 3.17Å
331G93.8Very high94.2Very high51 Ų5160.4 Ų60.453%0.52633%0.33SS..Hα-helixtrans-69.5-47.6-177.600000114.9D329 N334 S335D329-G331 PolarHBondContact O-N 3.33Å; G331-N334 PolarHBondContact O-N 3.1Å; G331-S335 PolarHBondContact O-N 3.47Å; G331-S335 PolarHBondContact O-OG 2.85Å; G331-S335 VanDerWaalsContact O-OG 3.1Å
332W95.5Very high94.2Very high14 Ų1462.8 Ų62.85%0.05334%0.342CS..Hα-helixtrans-72.5-36.117668.6-97.6000110.9Y293 Y315 I318 Y325 Q326 D329 N334 S335 I336Y293-W332 HydrophobicContact CE1-CB 4.33Å; Y315-W332 HydrophobicContact CD1-CH2 4.14Å; Y315-W332 AromaticContact CD1-CZ3 3.89Å; Y315-W332 HydrophobicContact CD1-CZ3 3.89Å; Y315-W332 HydrophobicContact CG-CH2 4.3Å; Y315-W332 HydrophobicContact CG-CZ3 4.49Å; I318-W332 HydrophobicContact CB-CH2 4.42Å; I318-W332 HydrophobicContact CB-CZ3 4.15Å; I318-W332 HydrophobicContact CD1-CZ3 4.43Å; I318-W332 HydrophobicContact CG2-CE3 4.4Å; I318-W332 HydrophobicContact CG2-CH2 4.32Å; I318-W332 HydrophobicContact CG2-CZ3 3.92Å; Y325-W332 HydrophobicContact CD1-CB 3.72Å; Y325-W332 AromaticContact CD1-CD1 3.86Å; Y325-W332 AromaticContact CD1-CD2 3.86Å; Y325-W332 HydrophobicContact CD1-CD2 3.86Å; Y325-W332 HydrophobicContact CD1-CE3 4.37Å; Y325-W332 AromaticContact CD1-CG 3.55Å; Y325-W332 HydrophobicContact CD1-CG 3.55Å; Y325-W332 HydrophobicContact CE1-CB 3.92Å; Y325-W332 HydrophobicContact CE1-CG 4.26Å; Y325-W332 HydrophobicContact CG-CD2 4.27Å; Y325-W332 HydrophobicContact CG-CG 4.38Å; Q326-W332 PolarHBondContact O-NE1 3.05Å; D329-W332 VanDerWaalsContact CB-CD1 3.42Å; D329-W332 PolarHBondContact O-N 2.91Å; D329-W332 PolarHBondContact O-NE1 3.23Å; W332-N334 VanDerWaalsContact C-N 3.27Å; W332-N334 PolarHBondContact O-N 2.98Å; W332-S335 CarbonylContact O-C 3.5Å; W332-S335 WeakPolarHBondContact O-CA 3.37Å; W332-S335 VanDerWaalsContact O-CB 3.25Å; W332-S335 WeakPolarHBondContact O-CB 3.44Å; W332-S335 PolarHBondContact O-N 3.06Å; W332-I336 HydrophobicContact CE3-CG1 3.83Å; W332-I336 HydrophobicContact CZ3-CG1 4.1Å; W332-I336 WeakPolarHBondContact O-CG1 3.46Å; W332-I336 PolarHBondContact O-N 3.48Å
333Q96.7Very high94.1Very high24 Ų2463.5 Ų63.511%0.11235%0.348CS..Hα-helixtrans-57.8-39.2172.9-62.2173.36.300112.1Y315 L327 S335 I336 R337Y315-Q333 HydrophobicContact CD1-CB 4.17Å; Y315-Q333 HydrophobicContact CD1-CG 3.9Å; Y315-Q333 HydrophobicContact CE1-CB 3.64Å; Y315-Q333 HydrophobicContact CE1-CG 3.89Å; Y315-Q333 HydrophobicContact CG-CG 4.25Å; L327-Q333 PolarHBondContact O-NE2 2.84Å; Q333-S335 VanDerWaalsContact C-N 3.31Å; Q333-S335 PolarHBondContact O-N 3.43Å; Q333-I336 PolarHBondContact O-N 3Å; Q333-R337 WeakPolarHBondContact O-CG 2.95Å; Q333-R337 PolarHBondContact O-N 3.1Å; Q333-R337 PolarHBondContact O-NH1 2.96Å
334N96.5Very high94.2Very high92 Ų9265.5 Ų65.549%0.49236%0.36SS..Hα-helixtrans-65.4-36.3173.5-159.955.5000112.3K330 G331 W332 R337 H338K330-N334 WeakPolarHBondContact O-CB 3.45Å; K330-N334 PolarHBondContact O-N 3.17Å; G331-N334 PolarHBondContact O-N 3.1Å; W332-N334 VanDerWaalsContact C-N 3.27Å; W332-N334 PolarHBondContact O-N 2.98Å; N334-R337 VanDerWaalsContact CA-NH2 3.35Å; N334-R337 PolarHBondContact O-N 3.37Å; N334-R337 PolarHBondContact OD1-NH2 2.86Å; N334-H338 WeakPolarHBondContact O-CB 3.47Å; N334-H338 PolarHBondContact O-N 3.03Å
335S96.7Very high94.2Very high33 Ų3363.2 Ų63.223%0.23135%0.353CS..Hα-helixtrans-66.9-36.4174.8-53.40000112.1G331 W332 Q333 N339G331-S335 PolarHBondContact O-N 3.47Å; G331-S335 PolarHBondContact O-OG 2.85Å; G331-S335 VanDerWaalsContact O-OG 3.1Å; W332-S335 CarbonylContact O-C 3.5Å; W332-S335 WeakPolarHBondContact O-CA 3.37Å; W332-S335 VanDerWaalsContact O-CB 3.25Å; W332-S335 WeakPolarHBondContact O-CB 3.44Å; W332-S335 PolarHBondContact O-N 3.06Å; Q333-S335 VanDerWaalsContact C-N 3.31Å; Q333-S335 PolarHBondContact O-N 3.43Å; S335-N339 PolarHBondContact O-N 2.89Å; S335-N339 PolarHBondContact O-ND2 3.32Å
336I97.3Very high94.3Very high0 Ų063.3 Ų63.30%035%0.353CS..Hα-helixtrans-63.5-52.3172.4-67-67.3000110.9Y293 I297 L311 I314 Y315 I318 W332 Q333 H338 N339 L340Y293-I336 HydrophobicContact CD1-CD1 3.85Å; Y293-I336 HydrophobicContact CD1-CG1 4.42Å; Y293-I336 HydrophobicContact CG-CD1 4.35Å; I297-I336 HydrophobicContact CD1-CD1 4.17Å; I297-I336 HydrophobicContact CD1-CG2 4.27Å; I297-I336 HydrophobicContact CG1-CD1 3.94Å; I297-I336 HydrophobicContact CG1-CG2 4.26Å; L311-I336 HydrophobicContact CD1-CG2 4.37Å; I314-I336 HydrophobicContact CG2-CG2 3.75Å; Y315-I336 HydrophobicContact CD1-CG2 4.34Å; Y315-I336 HydrophobicContact CE1-CB 4.22Å; Y315-I336 HydrophobicContact CE1-CG2 4.04Å; I318-I336 HydrophobicContact CD1-CD1 3.48Å; I318-I336 VanDerWaalsContact CD1-CD1 3.48Å; I318-I336 HydrophobicContact CD1-CG1 4.2Å; W332-I336 HydrophobicContact CE3-CG1 3.83Å; W332-I336 HydrophobicContact CZ3-CG1 4.1Å; W332-I336 WeakPolarHBondContact O-CG1 3.46Å; W332-I336 PolarHBondContact O-N 3.48Å; Q333-I336 PolarHBondContact O-N 3Å; I336-H338 VanDerWaalsContact C-N 3.26Å; I336-H338 PolarHBondContact O-N 2.94Å; I336-N339 PolarHBondContact O-N 3.06Å; I336-L340 HydrophobicContact CG2-CD1 4.11Å; I336-L340 PolarHBondContact O-N 3.38Å
337R97.7Very high94.5Very high91 Ų9160.9 Ų60.934%0.34334%0.344SS..Hα-helixtrans-54.8-42.3176.5-70.3-173.9-60.5-92.59.3112.3L311 Y315 Q333 N334 L340 S341L311-R337 HydrophobicContact CD1-CG 3.95Å; L311-R337 HydrophobicContact CD2-CG 3.95Å; Y315-R337 WeakPolarHBondContact OH-CD 3.12Å; Y315-R337 WeakPolarHBondContact OH-CG 3.49Å; Y315-R337 PolarHBondContact OH-NH1 1.91Å; Q333-R337 WeakPolarHBondContact O-CG 2.95Å; Q333-R337 PolarHBondContact O-N 3.1Å; Q333-R337 PolarHBondContact O-NH1 2.96Å; N334-R337 VanDerWaalsContact CA-NH2 3.35Å; N334-R337 PolarHBondContact O-N 3.37Å; N334-R337 PolarHBondContact OD1-NH2 2.86Å; R337-L340 PolarHBondContact O-N 3.04Å; R337-S341 PolarHBondContact O-N 2.96Å; R337-S341 PolarHBondContact O-OG 2.89Å
338H96.1Very high94.7Very high95 Ų9563.5 Ų63.544%0.4435%0.352SS..Hα-helixtrans-65.7-37.6175.5174.744.2000113.1N334 I336 S341 L342N334-H338 WeakPolarHBondContact O-CB 3.47Å; N334-H338 PolarHBondContact O-N 3.03Å; I336-H338 VanDerWaalsContact C-N 3.26Å; I336-H338 PolarHBondContact O-N 2.94Å; H338-S341 PolarHBondContact O-N 2.93Å; H338-S341 PolarHBondContact O-OG 3.25Å; H338-L342 VanDerWaalsContact CE1-CD1 3.45Å; H338-L342 WeakPolarHBondContact CE1-CD1 3.19Å; H338-L342 WeakPolarHBondContact O-CB 3.43Å; H338-L342 PolarHBondContact O-N 3.38Å
339N96.6Very high94.8Very high28 Ų2861.4 Ų61.415%0.1533%0.331CS..Hα-helixtrans-72.3-30.5177.7-85.8-104.9000112.7I297 S335 I336 N343I297-N339 HydrophobicContact CD1-CB 3.75Å; S335-N339 PolarHBondContact O-N 2.89Å; S335-N339 PolarHBondContact O-ND2 3.32Å; I336-N339 PolarHBondContact O-N 3.06Å; N339-N343 PolarHBondContact O-N 3.4Å; N339-N343 PolarHBondContact O-ND2 2.99Å
340L96.2Very high94.9Very high3 Ų362.4 Ų62.42%0.01634%0.343CS..Hα-helixtrans-67-33.9173.3-70.7167.9000112.6I297 L311 I314 I336 R337 F346 W362I297-L340 HydrophobicContact CD1-CD2 4.01Å; I297-L340 HydrophobicContact CD1-CG 3.95Å; I297-L340 HydrophobicContact CG1-CD2 4.38Å; I297-L340 HydrophobicContact CG2-CD2 3.66Å; L311-L340 HydrophobicContact CD1-CD1 3.61Å; I314-L340 HydrophobicContact CD1-CD1 4.04Å; I314-L340 HydrophobicContact CD1-CD2 4.12Å; I336-L340 HydrophobicContact CG2-CD1 4.11Å; I336-L340 PolarHBondContact O-N 3.38Å; R337-L340 PolarHBondContact O-N 3.04Å; L340-F346 HydrophobicContact CD2-CB 4.02Å; L340-F346 HydrophobicContact CD2-CD2 4.29Å; L340-F346 HydrophobicContact CD2-CG 4.12Å; L340-W362 HydrophobicContact CB-CD2 4.25Å; L340-W362 HydrophobicContact CB-CE3 4.09Å; L340-W362 HydrophobicContact CB-CH2 3.92Å; L340-W362 HydrophobicContact CB-CZ2 4.09Å; L340-W362 HydrophobicContact CB-CZ3 3.91Å; L340-W362 HydrophobicContact CD1-CD2 4.23Å; L340-W362 HydrophobicContact CD1-CG 4.36Å; L340-W362 HydrophobicContact CD2-CB 4.26Å; L340-W362 HydrophobicContact CD2-CD2 3.87Å; L340-W362 HydrophobicContact CD2-CE3 3.92Å; L340-W362 HydrophobicContact CD2-CG 4.02Å; L340-W362 HydrophobicContact CG-CD2 4.34Å; L340-W362 HydrophobicContact CG-CE3 4.49Å; L340-W362 VanDerWaalsContact O-CZ3 3.31Å; L340-W362 WeakPolarHBondContact O-CZ3 3.5Å
341S94.6Very high94.9Very high96 Ų9657.4 Ų57.467%0.67132%0.319SS*.Hα-helixtrans-91.3-18.8176.559.90000115.1R337 H338R337-S341 PolarHBondContact O-N 2.96Å; R337-S341 PolarHBondContact O-OG 2.89Å; H338-S341 PolarHBondContact O-N 2.93Å; H338-S341 PolarHBondContact O-OG 3.25Å
342L92.4Very high94.6Very high104 Ų10457.8 Ų57.855%0.54531%0.314SS..Hα-helixtrans-84.9-35179.3179.1147.9000113.4H338H338-L342 VanDerWaalsContact CE1-CD1 3.45Å; H338-L342 WeakPolarHBondContact CE1-CD1 3.19Å; H338-L342 WeakPolarHBondContact O-CB 3.43Å; H338-L342 PolarHBondContact O-N 3.38Å
343N92.4Very high94Very high36 Ų3665.6 Ų65.619%0.19335%0.351CS..  trans-99.8111.8-176.3-56.2-82.8000109.7N339 Q345 F346N339-N343 PolarHBondContact O-N 3.4Å; N339-N343 PolarHBondContact O-ND2 2.99Å; N343-Q345 PolarHBondContact O-N 2.87Å; N343-F346 HydrophobicContact CB-CD2 3.93Å; N343-F346 HydrophobicContact CB-CE2 4.06Å; N343-F346 PolarHBondContact O-N 2.82Å; N343-F346 VanDerWaalsContact O-N 3.09Å
344C91.7Very high93.5Very high106 Ų10672.6 Ų72.672%0.71638%0.383SS*.THydrogen-bonded Turntrans-54.8-20.1176.753.60000114.6F346C344-F346 PolarHBondContact O-N 2.98Å
345Q92.4Very high92.8Very high39 Ų3971.2 Ų71.218%0.18238%0.376CS..THydrogen-bonded Turntrans-68.2-11.6178-46.4-176.5-85.300113.9N343 I364 D365 H368 L372N343-Q345 PolarHBondContact O-N 2.87Å; Q345-I364 WeakPolarHBondContact O-CA 3.29Å; Q345-D365 PolarHBondContact O-N 2.84Å; Q345-H368 HydrophobicContact CB-CB 4.19Å; Q345-H368 HydrophobicContact CG-CB 4.2Å; Q345-H368 PolarHBondContact NE2-CD2 3.08Å; Q345-L372 HydrophobicContact CB-CD1 3.6Å; Q345-L372 HydrophobicContact CG-CD1 4.34Å
346F95.5Very high92Very high7 Ų777.9 Ų77.93%0.03140%0.403CS..EExtended strand (participates in β ladder)trans-108.8107.6171.7-55.7-55.7000109A294 I297 A298 I301 L340 N343 C344 W362 R363 I364 L372A294-F346 HydrophobicContact CB-CE2 4Å; A294-F346 HydrophobicContact CB-CZ 4.16Å; A294-F346 WeakPolarHBondContact O-CZ 3.37Å; I297-F346 HydrophobicContact CB-CE1 4.18Å; I297-F346 HydrophobicContact CB-CE2 4.25Å; I297-F346 HydrophobicContact CB-CZ 3.89Å; I297-F346 HydrophobicContact CD1-CE2 4.23Å; I297-F346 HydrophobicContact CG2-CD1 3.72Å; I297-F346 HydrophobicContact CG2-CD2 4.21Å; I297-F346 HydrophobicContact CG2-CE1 3.48Å; I297-F346 VanDerWaalsContact CG2-CE1 3.48Å; I297-F346 HydrophobicContact CG2-CE2 4Å; I297-F346 HydrophobicContact CG2-CG 4.09Å; I297-F346 HydrophobicContact CG2-CZ 3.64Å; A298-F346 HydrophobicContact CB-CE1 4.46Å; I301-F346 HydrophobicContact CD1-CD1 4.11Å; L340-F346 HydrophobicContact CD2-CB 4.02Å; L340-F346 HydrophobicContact CD2-CD2 4.29Å; L340-F346 HydrophobicContact CD2-CG 4.12Å; N343-F346 HydrophobicContact CB-CD2 3.93Å; N343-F346 HydrophobicContact CB-CE2 4.06Å; N343-F346 PolarHBondContact O-N 2.82Å; N343-F346 VanDerWaalsContact O-N 3.09Å; C344-F346 PolarHBondContact O-N 2.98Å; F346-W362 HydrophobicContact CB-CE3 4.22Å; F346-R363 WeakPolarHBondContact CA-O 3.39Å; F346-I364 HydrophobicContact CD1-CG1 4.31Å; F346-I364 HydrophobicContact CE1-CG1 4.23Å; F346-L372 HydrophobicContact CE1-CD1 4.1Å; F346-L372 HydrophobicContact CZ-CD1 4.39Å
347V95.4Very high91.5Very high42 Ų4279.6 Ų79.626%0.25542%0.421SS..EExtended strand (participates in β ladder)trans-99.7133.7-176.9-61.10000111R363 D365V347-R363 HydrophobicContact CG2-CG 3.43Å; V347-R363 VanDerWaalsContact CG2-CG 3.43Å; V347-R363 PolarHBondContact N-O 2.79Å; V347-R363 PolarHBondContact O-N 2.82Å; V347-R363 VanDerWaalsContact O-N 3.13Å; V347-D365 HydrophobicContact CG1-CB 4.15Å
348K95.9Very high91Very high146 Ų14685.2 Ų85.264%0.63545%0.448SS*.EExtended strand (participates in β ladder)trans-77.1120178.2-178-168.7172.9-163.20109.2C360 W362K348-C360 VanDerWaalsContact CE-SG 3.6Å; K348-C360 HydrophobicContact CG-CB 3.97Å; K348-W362 HydrophobicContact CB-CE3 4.25Å; K348-W362 HydrophobicContact CB-CH2 4.04Å; K348-W362 HydrophobicContact CB-CZ2 4.42Å; K348-W362 HydrophobicContact CB-CZ3 3.95Å; K348-W362 HydrophobicContact CG-CH2 4.5Å; K348-W362 HydrophobicContact CG-CZ2 4.44Å
349V93.9Very high90.8Very high33 Ų3383.8 Ų83.820%0.246%0.46CS..EExtended strand (participates in β ladder)trans-107.2130.2179.7-173.50000108.8C360 F361 R363V349-C360 WeakPolarHBondContact O-CB 3.47Å; V349-F361 HydrophobicContact CB-CB 4.15Å; V349-F361 PolarHBondContact N-O 2.89Å; V349-F361 PolarHBondContact O-N 2.95Å; V349-F361 VanDerWaalsContact O-N 3.11Å; V349-R363 HydrophobicContact CG2-CB 4.31Å; V349-R363 HydrophobicContact CG2-CG 3.63Å
350P93.3Very high90.7Very high106 Ų10683.7 Ų83.769%0.68846%0.46SS*.PPolyproline II helixtrans-63.3160.517228.9-34.7000110.8
351R92Very high90.6Very high60 Ų6084.6 Ų84.623%0.22646%0.464CS..PPolyproline II helixtrans-78.3159168.3-70.4-176.6175.9-88.29.4109.8D355 G357 K358 G359 F361R351-D355 HydrophobicContact CB-CB 3.86Å; R351-D355 WeakPolarHBondContact CD-O 3.32Å; R351-D355 HydrophobicContact CG-CB 4.27Å; R351-G357 WeakPolarHBondContact CD-O 3.41Å; R351-G357 PolarHBondContact NE-O 2.76Å; R351-K358 PolarHBondContact NE-O 3.18Å; R351-K358 PolarHBondContact NH2-O 2.86Å; R351-G359 WeakPolarHBondContact CD-O 3.23Å; R351-G359 PolarHBondContact NE-O 3.38Å; R351-G359 VanDerWaalsContact NE-O 3.16Å; R351-F361 HydrophobicContact CG-CD2 4.01Å; R351-F361 HydrophobicContact CG-CE2 3.92Å
352S88.1Confident90.7Very high59 Ų5981.7 Ų81.741%0.41344%0.439SS..PPolyproline II helixtrans-65.6162.4161.460.30000109.6E354 D355S352-E354 PolarHBondContact O-N 2.88Å; S352-D355 PolarHBondContact O-N 2.93Å; S352-D355 WeakPolarHBondContact OG-CB 3.46Å; S352-D355 PolarHBondContact OG-N 3.46Å; S352-D355 VanDerWaalsContact OG-N 3.09Å
353Q82.7Confident90.9Very high177 Ų17782.2 Ų82.283%0.82743%0.433SS*.SBendtrans-64.4-27174.2-173.662.911.600112H356Q353-H356 PolarHBondContact O-CE1 3Å; Q353-H356 PolarHBondContact O-ND1 3.03Å
354E85.7Confident91Very high171 Ų17180.8 Ų80.880%0.79943%0.426SS*.SBendtrans-72.7-35.4176.3-170.2175.2-158.900112.7S352 H356S352-E354 PolarHBondContact O-N 2.88Å; E354-H356 PolarHBondContact O-N 3.36Å
355D82.3Confident91.1Very high63 Ų6377.4 Ų77.434%0.33740%0.401SS..  trans-73.779.6175.7-90.2-29.8000111.4R351 S352 G357 F361R351-D355 HydrophobicContact CB-CB 3.86Å; R351-D355 WeakPolarHBondContact CD-O 3.32Å; R351-D355 HydrophobicContact CG-CB 4.27Å; S352-D355 PolarHBondContact O-N 2.93Å; S352-D355 WeakPolarHBondContact OG-CB 3.46Å; S352-D355 PolarHBondContact OG-N 3.46Å; S352-D355 VanDerWaalsContact OG-N 3.09Å; D355-G357 PolarHBondContact O-N 2.96Å; D355-F361 VanDerWaalsContact OD2-CE2 3.3Å; D355-F361 WeakPolarHBondContact OD2-CE2 3.45Å
356H79.7Confident91Very high173 Ų17379.6 Ų79.680%0.80142%0.418SS*.  trans-67.830.5177.1-62.9-13000115.3Q353 E354Q353-H356 PolarHBondContact O-CE1 3Å; Q353-H356 PolarHBondContact O-ND1 3.03Å; E354-H356 PolarHBondContact O-N 3.36Å
357G86.4Confident90.8Very high37 Ų3787.4 Ų87.438%0.38146%0.455SS..  trans-89.1152.4-177.600000114.5R351 D355R351-G357 WeakPolarHBondContact CD-O 3.41Å; R351-G357 PolarHBondContact NE-O 2.76Å; D355-G357 PolarHBondContact O-N 2.96Å
358K87.7Confident90.4Very high208 Ų20888 Ų8890%0.90446%0.455SS*.SBendtrans-66.6143.5174.8-67.7178.9-178.8173.80111.8R351R351-K358 PolarHBondContact NE-O 3.18Å; R351-K358 PolarHBondContact NH2-O 2.86Å
359G91.4Very high90.1Very high66 Ų6683.1 Ų83.168%0.6843%0.434SS*.SBendtrans72.4-152.1173.600000114.4R351R351-G359 WeakPolarHBondContact CD-O 3.23Å; R351-G359 PolarHBondContact NE-O 3.38Å; R351-G359 VanDerWaalsContact NE-O 3.16Å
360C94.3Very high89.9Confident25 Ų2584.8 Ų84.817%0.16945%0.451CS..  trans-132163.6-172.846.70000111.2K348 V349K348-C360 VanDerWaalsContact CE-SG 3.6Å; K348-C360 HydrophobicContact CG-CB 3.97Å; V349-C360 WeakPolarHBondContact O-CB 3.47Å
361F95.7Very high89.6Confident22 Ų2286.1 Ų86.110%0.09645%0.446CS..EExtended strand (participates in β ladder)trans-85.2152.4167.5-69.9-77.7000110.4K308 T310 V349 R351 D355K308-F361 HydrophobicContact CB-CB 4.24Å; K308-F361 HydrophobicContact CB-CD1 4.3Å; K308-F361 HydrophobicContact CD-CB 4.34Å; K308-F361 HydrophobicContact CD-CD1 3.87Å; K308-F361 HydrophobicContact CD-CD2 4.29Å; K308-F361 HydrophobicContact CD-CE1 4.17Å; K308-F361 HydrophobicContact CD-CG 3.93Å; K308-F361 HydrophobicContact CG-CD1 4.01Å; K308-F361 HydrophobicContact CG-CE1 4.45Å; K308-F361 HydrophobicContact CG-CG 4.42Å; T310-F361 HydrophobicContact CG2-CD1 3.9Å; T310-F361 HydrophobicContact CG2-CE1 3.83Å; V349-F361 HydrophobicContact CB-CB 4.15Å; V349-F361 PolarHBondContact N-O 2.89Å; V349-F361 PolarHBondContact O-N 2.95Å; V349-F361 VanDerWaalsContact O-N 3.11Å; R351-F361 HydrophobicContact CG-CD2 4.01Å; R351-F361 HydrophobicContact CG-CE2 3.92Å; D355-F361 VanDerWaalsContact OD2-CE2 3.3Å; D355-F361 WeakPolarHBondContact OD2-CE2 3.45Å
362W96.8Very high89.4Confident36 Ų3683.8 Ų83.814%0.13644%0.438CS..EExtended strand (participates in β ladder)trans-121127.2169.3-65.687.3000108.3I301 K308 L309 I314 L340 F346 K348I301-W362 HydrophobicContact CD1-CB 4.31Å; K308-W362 CarbonylContact C-O 3.12Å; K308-W362 WeakPolarHBondContact CA-O 3.32Å; L309-W362 PolarHBondContact N-O 2.85Å; L309-W362 PolarHBondContact O-N 3.15Å; I314-W362 HydrophobicContact CD1-CB 4.34Å; L340-W362 HydrophobicContact CB-CD2 4.25Å; L340-W362 HydrophobicContact CB-CE3 4.09Å; L340-W362 HydrophobicContact CB-CH2 3.92Å; L340-W362 HydrophobicContact CB-CZ2 4.09Å; L340-W362 HydrophobicContact CB-CZ3 3.91Å; L340-W362 HydrophobicContact CD1-CD2 4.23Å; L340-W362 HydrophobicContact CD1-CG 4.36Å; L340-W362 HydrophobicContact CD2-CB 4.26Å; L340-W362 HydrophobicContact CD2-CD2 3.87Å; L340-W362 HydrophobicContact CD2-CE3 3.92Å; L340-W362 HydrophobicContact CD2-CG 4.02Å; L340-W362 HydrophobicContact CG-CD2 4.34Å; L340-W362 HydrophobicContact CG-CE3 4.49Å; L340-W362 VanDerWaalsContact O-CZ3 3.31Å; L340-W362 WeakPolarHBondContact O-CZ3 3.5Å; F346-W362 HydrophobicContact CB-CE3 4.22Å; K348-W362 HydrophobicContact CB-CE3 4.25Å; K348-W362 HydrophobicContact CB-CH2 4.04Å; K348-W362 HydrophobicContact CB-CZ2 4.42Å; K348-W362 HydrophobicContact CB-CZ3 3.95Å; K348-W362 HydrophobicContact CG-CH2 4.5Å; K348-W362 HydrophobicContact CG-CZ2 4.44Å
363R95.2Very high89.4Confident114 Ų11482.8 Ų82.843%0.4343%0.428SS..EExtended strand (participates in β ladder)trans-115.6162.8169.870.6177.3-177.5-163.61.6109.9R307 K308 F346 V347 V349R307-R363 VanDerWaalsContact O-CB 3.28Å; R307-R363 WeakPolarHBondContact O-CB 3.41Å; K308-R363 HydrophobicContact CB-CB 4.28Å; F346-R363 WeakPolarHBondContact CA-O 3.39Å; V347-R363 HydrophobicContact CG2-CG 3.43Å; V347-R363 VanDerWaalsContact CG2-CG 3.43Å; V347-R363 PolarHBondContact N-O 2.79Å; V347-R363 PolarHBondContact O-N 2.82Å; V347-R363 VanDerWaalsContact O-N 3.13Å; V349-R363 HydrophobicContact CG2-CB 4.31Å; V349-R363 HydrophobicContact CG2-CG 3.63Å
364I95.5Very high89.7Confident7 Ų780.7 Ų80.74%0.03642%0.423CS..EExtended strand (participates in β ladder)trans-76.1142.1164.1-56.8167.8000107.7A298 I301 Q345 F346 E369 L372 L373A298-I364 HydrophobicContact CB-CD1 4.22Å; I301-I364 HydrophobicContact CB-CD1 4.32Å; I301-I364 HydrophobicContact CB-CG1 4.19Å; I301-I364 HydrophobicContact CD1-CG1 4.2Å; I301-I364 HydrophobicContact CG2-CD1 4.31Å; I301-I364 HydrophobicContact CG2-CG1 3.97Å; Q345-I364 WeakPolarHBondContact O-CA 3.29Å; F346-I364 HydrophobicContact CD1-CG1 4.31Å; F346-I364 HydrophobicContact CE1-CG1 4.23Å; I364-E369 HydrophobicContact CG2-CB 4Å; I364-E369 HydrophobicContact CG2-CG 4.36Å; I364-L372 HydrophobicContact CG2-CD1 3.68Å; I364-L373 HydrophobicContact CD1-CD2 4.34Å
365D93.8Very high89.7Confident35 Ų3576.3 Ų76.319%0.18740%0.404CS..  trans-66.5125.6172.2177.948.2000111.1Q345 V347 E367 H368 E369Q345-D365 PolarHBondContact O-N 2.84Å; V347-D365 HydrophobicContact CG1-CB 4.15Å; D365-E367 VanDerWaalsContact C-N 3.34Å; D365-E367 PolarHBondContact O-N 3.07Å; D365-H368 HydrophobicContact CB-CB 4.35Å; D365-H368 CarbonylContact O-C 3.54Å; D365-H368 WeakPolarHBondContact O-CA 3.46Å; D365-H368 PolarHBondContact O-N 3.01Å; D365-H368 IonicContact OD2-CE1 3.39Å; D365-H368 IonicContact OD2-CG 3.67Å; D365-H368 IonicContact OD2-ND1 2.75Å; D365-H368 PolarHBondContact OD2-ND1 2.84Å; D365-E369 PolarHBondContact O-N 2.82Å
366P90.8Very high89.9Confident84 Ų8473.4 Ų73.455%0.54539%0.388SS..Hα-helixtrans-56.7-38.2-171.7-29.636.8000115.3H368 E369P366-H368 PolarHBondContact O-N 3.11Å; P366-E369 PolarHBondContact O-N 2.92Å
367E89.6Confident90.3Very high171 Ų17170.4 Ų70.480%0.79937%0.373SS*.Hα-helixtrans-59.9-28.4175.9-59.9-172172.600112.4D365D365-E367 VanDerWaalsContact C-N 3.34Å; D365-E367 PolarHBondContact O-N 3.07Å
368H86.7Confident90.3Very high55 Ų5577.7 Ų77.726%0.25539%0.389SS..Hα-helixtrans-103.3-11.2-174.9-69.992.5000113.9Q345 D365 P366 K371 L372Q345-H368 HydrophobicContact CB-CB 4.19Å; Q345-H368 HydrophobicContact CG-CB 4.2Å; Q345-H368 PolarHBondContact NE2-CD2 3.08Å; D365-H368 HydrophobicContact CB-CB 4.35Å; D365-H368 CarbonylContact O-C 3.54Å; D365-H368 WeakPolarHBondContact O-CA 3.46Å; D365-H368 PolarHBondContact O-N 3.01Å; D365-H368 IonicContact OD2-CE1 3.39Å; D365-H368 IonicContact OD2-CG 3.67Å; D365-H368 IonicContact OD2-ND1 2.75Å; D365-H368 PolarHBondContact OD2-ND1 2.84Å; P366-H368 PolarHBondContact O-N 3.11Å; H368-K371 PolarHBondContact O-N 3.18Å; H368-L372 PolarHBondContact O-N 3.1Å
369E90.6Very high90Very high44 Ų4473.2 Ų73.221%0.20637%0.37CS..Hα-helixtrans-58.2-57.9-173.7-173.7-177.8166.300111.9R307 I364 D365 P366 K371 L372 L373R307-E369 IonicContact CZ-OE1 3.07Å; R307-E369 IonicContact NE-OE1 2.68Å; R307-E369 PolarHBondContact NE-OE1 2.84Å; R307-E369 IonicContact NH2-OE1 3.12Å; R307-E369 PolarHBondContact NH2-OE1 3.5Å; R307-E369 VanDerWaalsContact NH2-OE1 3.12Å; I364-E369 HydrophobicContact CG2-CB 4Å; I364-E369 HydrophobicContact CG2-CG 4.36Å; D365-E369 PolarHBondContact O-N 2.82Å; P366-E369 PolarHBondContact O-N 2.92Å; E369-K371 PolarHBondContact O-N 3.06Å; E369-K371 VanDerWaalsContact O-N 3.15Å; E369-L372 PolarHBondContact O-N 2.76Å; E369-L373 HydrophobicContact CG-CD1 3.8Å; E369-L373 HydrophobicContact CG-CG 3.98Å; E369-L373 WeakPolarHBondContact O-CG 3.35Å; E369-L373 PolarHBondContact O-N 3.33Å
370A89.1Confident89.2Confident68 Ų6874.8 Ų74.856%0.56236%0.355SS*.Hα-helixtrans-56.6-36.9-177.500000112.6N374A370-N374 PolarHBondContact O-N 3.07Å; A370-N374 PolarHBondContact O-ND2 3.07Å
371K87.9Confident88.2Confident134 Ų13483.7 Ų83.758%0.58339%0.385SS*.Hα-helixtrans-70.6-39.7176.5-175.9176.9178.4-179.50112H368 E369 I375H368-K371 PolarHBondContact O-N 3.18Å; E369-K371 PolarHBondContact O-N 3.06Å; E369-K371 VanDerWaalsContact O-N 3.15Å; K371-I375 HydrophobicContact CG-CD1 4.36Å; K371-I375 WeakPolarHBondContact O-CD1 3.26Å; K371-I375 VanDerWaalsContact O-CG1 3.31Å; K371-I375 WeakPolarHBondContact O-CG1 3.18Å; K371-I375 PolarHBondContact O-N 2.68Å
372L87.7Confident86.7Confident11 Ų1188.1 Ų88.16%0.05841%0.409CS..Hα-helixtrans-70.7-44.2177-88.7175.8000112.5A298 Q345 F346 I364 H368 E369 N374 I375 A376A298-L372 HydrophobicContact CB-CB 4.5Å; Q345-L372 HydrophobicContact CB-CD1 3.6Å; Q345-L372 HydrophobicContact CG-CD1 4.34Å; F346-L372 HydrophobicContact CE1-CD1 4.1Å; F346-L372 HydrophobicContact CZ-CD1 4.39Å; I364-L372 HydrophobicContact CG2-CD1 3.68Å; H368-L372 PolarHBondContact O-N 3.1Å; E369-L372 PolarHBondContact O-N 2.76Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 2.95Å; L372-I375 CarbonylContact O-C 3.47Å; L372-I375 WeakPolarHBondContact O-CA 3.47Å; L372-I375 PolarHBondContact O-N 2.82Å; L372-A376 WeakPolarHBondContact O-CB 3.35Å; L372-A376 PolarHBondContact O-N 2.89Å
373L88.3Confident84.8Confident38 Ų3893.6 Ų93.620%0.19943%0.429CS..Hα-helixtrans-59.8-43.5179.8-65.1-177.7000111.9I364 E369 I375 A376I364-L373 HydrophobicContact CD1-CD2 4.34Å; E369-L373 HydrophobicContact CG-CD1 3.8Å; E369-L373 HydrophobicContact CG-CG 3.98Å; E369-L373 WeakPolarHBondContact O-CG 3.35Å; E369-L373 PolarHBondContact O-N 3.33Å; L373-I375 PolarHBondContact O-N 3.09Å; L373-A376 PolarHBondContact O-N 3.17Å
374N88Confident82.5Confident133 Ų13391.3 Ų91.371%0.71144%0.435SS*.Hα-helixtrans-61.6-22.4173.9-84.8-73.9000114A370 L372A370-N374 PolarHBondContact O-N 3.07Å; A370-N374 PolarHBondContact O-ND2 3.07Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 2.95Å
375I87.4Confident80.3Confident79 Ų7994.8 Ų94.841%0.40546%0.459SS..Hα-helixtrans-96.6-28.3176.9-65170.1000111.3Q295 K371 L372 L373 F377 R378Q295-I375 HydrophobicContact CG-CG2 4.28Å; Q295-I375 PolarHBondContact NE2-O 3.09Å; K371-I375 HydrophobicContact CG-CD1 4.36Å; K371-I375 WeakPolarHBondContact O-CD1 3.26Å; K371-I375 VanDerWaalsContact O-CG1 3.31Å; K371-I375 WeakPolarHBondContact O-CG1 3.18Å; K371-I375 PolarHBondContact O-N 2.68Å; L372-I375 CarbonylContact O-C 3.47Å; L372-I375 WeakPolarHBondContact O-CA 3.47Å; L372-I375 PolarHBondContact O-N 2.82Å; L373-I375 PolarHBondContact O-N 3.09Å; I375-F377 PolarHBondContact O-N 2.94Å; I375-R378 WeakPolarHBondContact O-CB 3.38Å; I375-R378 PolarHBondContact O-N 2.79Å
376A86.1Confident77.9Confident1 Ų196.8 Ų96.81%0.00847%0.469CS..Hα-helixtrans-57.2-44.1-170.900000112.9A298 Q299 L372 L373A298-A376 HydrophobicContact CB-CB 3.96Å; Q299-A376 HydrophobicContact CG-CB 4.12Å; Q299-A376 PolarHBondContact NE2-O 2.86Å; L372-A376 WeakPolarHBondContact O-CB 3.35Å; L372-A376 PolarHBondContact O-N 2.89Å; L373-A376 PolarHBondContact O-N 3.17Å
377F87.4Confident75.7Confident110 Ų11095.5 Ų95.548%0.48246%0.46SS..THydrogen-bonded Turntrans-88.6-3.5-179.5-59.6-80000113.9Q299 I375 K379Q299-F377 HydrophobicContact CG-CD1 4.33Å; Q299-F377 HydrophobicContact CG-CE1 3.98Å; Q299-F377 HydrophobicContact CG-CZ 4.25Å; I375-F377 PolarHBondContact O-N 2.94Å; F377-K379 PolarHBondContact O-N 3.35Å; F377-K379 VanDerWaalsContact O-N 3.11Å
378R85.6Confident73.2Confident190 Ų19090.8 Ų90.872%0.71745%0.446SS*.  trans-79.498.8-177.3-167.9173-175.2168.23.2111.1Q295 I375 R380Q295-R378 PolarHBondContact NE2-O 3Å; I375-R378 WeakPolarHBondContact O-CB 3.38Å; I375-R378 PolarHBondContact O-N 2.79Å; R378-R380 PolarHBondContact O-N 3.11Å
379K82Confident71.2Confident115 Ų11592.1 Ų92.150%0.546%0.461SS..PPolyproline II helixtrans-46.2122.8172.3-65.4-175.4179.2178.30109.8E281 P290 Y291 F377E281-K379 IonicContact OE2-NZ 2.59Å; E281-K379 PolarHBondContact OE2-NZ 3.44Å; P290-K379 HydrophobicContact CB-CB 4.36Å; P290-K379 HydrophobicContact CG-CB 4.08Å; P290-K379 HydrophobicContact CG-CD 4.22Å; P290-K379 HydrophobicContact CG-CG 3.89Å; Y291-K379 HydrophobicContact CE1-CB 4.42Å; Y291-K379 HydrophobicContact CE1-CG 3.91Å; F377-K379 PolarHBondContact O-N 3.35Å; F377-K379 VanDerWaalsContact O-N 3.11Å
380R75.1Confident69Low98 Ų9897.6 Ų97.637%0.3749%0.485SS..PPolyproline II helixtrans-75.6137.6-177.8-157.9-162.5-43.3109.311.4109.9P290 Y291 S292 R378 I382P290-R380 VanDerWaalsContact O-CB 3.27Å; P290-R380 WeakPolarHBondContact O-CB 3.45Å; P290-R380 PolarHBondContact O-N 2.81Å; Y291-R380 PolarHBondContact O-NH2 3.08Å; S292-R380 VanDerWaalsContact CA-NH2 3.29Å; R378-R380 PolarHBondContact O-N 3.11Å; R380-I382 PolarHBondContact O-N 2.88Å
381R72.8Confident67Low213 Ų21399.5 Ų99.580%0.80449%0.485SS*.PPolyproline II helixtrans-58.2125.3165.9-83.1-176.7165144.5-2.1109.4R383R381-R383 PolarHBondContact O-N 3.21Å
382I64.6Low64.8Low115 Ų11598.6 Ų98.659%0.5949%0.491SS*.PPolyproline II helixtrans-59.5127.4172.1-60.4172.4000107.4R380R380-I382 PolarHBondContact O-N 2.88Å
383R57.6Low62.6Low151 Ų151105.3 Ų105.357%0.5753%0.527SS*.PPolyproline II helixtrans-88.5137.3172.3-66178176.7-178.9-2.8107.3R381 C385 D386R381-R383 PolarHBondContact O-N 3.21Å; R383-C385 VanDerWaalsContact CB-SG 3.58Å; R383-C385 PolarHBondContact O-N 3.19Å; R383-D386 PolarHBondContact O-N 3.47Å
384A45Very low60.1Low66 Ų66108.8 Ų108.855%0.54555%0.545SS..THydrogen-bonded Turntrans-59.4-12.8-175.900000114.8
385C50Low57.6Low79 Ų79113.9 Ų113.953%0.53456%0.555SS.*THydrogen-bonded Turntrans-68.6-33.1169.657.30000113.5R383 T387 S388R383-C385 VanDerWaalsContact CB-SG 3.58Å; R383-C385 PolarHBondContact O-N 3.19Å; C385-T387 VanDerWaalsContact C-N 3.26Å; C385-T387 PolarHBondContact O-N 2.88Å; C385-S388 WeakPolarHBondContact O-CB 3.32Å; C385-S388 PolarHBondContact O-N 2.91Å; C385-S388 PolarHBondContact O-OG 3Å
386D44.3Very low55.3Low77 Ų77119.2 Ų119.241%0.41257%0.571SS.*THydrogen-bonded Turntrans-73.1-22.2-175.5-60.3-16.5000111.5R383 S388 S389R383-D386 PolarHBondContact O-N 3.47Å; D386-S388 VanDerWaalsContact C-N 3.26Å; D386-S388 PolarHBondContact O-N 2.83Å; D386-S389 PolarHBondContact O-OG 3.46Å
387T43.4Very low53Low58 Ų58124.5 Ų124.536%0.35661%0.606SS.*THydrogen-bonded Turntrans-71.2-19.1174-31.50000112.7C385 S389 F390 L391C385-T387 VanDerWaalsContact C-N 3.26Å; C385-T387 PolarHBondContact O-N 2.88Å; T387-S389 VanDerWaalsContact C-N 3.32Å; T387-S389 PolarHBondContact O-N 2.78Å; T387-F390 PolarHBondContact O-N 2.84Å; T387-F390 VanDerWaalsContact O-N 3.08Å; T387-L391 HydrophobicContact CG2-CD1 3.97Å; T387-L391 HydrophobicContact CG2-CG 4.26Å; T387-L391 PolarHBondContact O-N 2.85Å
388S38.6Very low50.6Low72 Ų72127.4 Ų127.450%0.50363%0.625SS.*Hα-helixtrans-61.8-35.4-173.663.40000113.5C385 D386 F390 L391 T392C385-S388 WeakPolarHBondContact O-CB 3.32Å; C385-S388 PolarHBondContact O-N 2.91Å; C385-S388 PolarHBondContact O-OG 3Å; D386-S388 VanDerWaalsContact C-N 3.26Å; D386-S388 PolarHBondContact O-N 2.83Å; S388-F390 PolarHBondContact O-N 2.76Å; S388-L391 PolarHBondContact O-N 2.79Å; S388-T392 WeakPolarHBondContact O-CG2 3.5Å; S388-T392 PolarHBondContact O-N 2.92Å
389S44.7Very low48.3Very low82 Ų82124.6 Ų124.657%0.57363%0.629SS**Hα-helixtrans-72.4-10.7177.553.90000114.8D386 T387D386-S389 PolarHBondContact O-OG 3.46Å; T387-S389 VanDerWaalsContact C-N 3.32Å; T387-S389 PolarHBondContact O-N 2.78Å
390F43.7Very low46.1Very low160 Ų160124.2 Ų124.270%0.70264%0.641SS**Hα-helixtrans-99.5-24.8176.3-62.6-82.1000112.4T387 S388T387-F390 PolarHBondContact O-N 2.84Å; T387-F390 VanDerWaalsContact O-N 3.08Å; S388-F390 PolarHBondContact O-N 2.76Å
391L46Very low44Very low108 Ų108127.2 Ų127.257%0.56566%0.664SS**Hα-helixtrans-86.4-19.1-178.4-67.6169.5000113.5T387 S388 N393 N394T387-L391 HydrophobicContact CG2-CD1 3.97Å; T387-L391 HydrophobicContact CG2-CG 4.26Å; T387-L391 PolarHBondContact O-N 2.85Å; S388-L391 PolarHBondContact O-N 2.79Å; L391-N393 PolarHBondContact O-N 2.73Å; L391-N394 PolarHBondContact O-N 2.85Å; L391-N394 VanDerWaalsContact O-N 3.13Å
392T43Very low42.2Very low114 Ų114121.9 Ų121.970%0.69966%0.659SS**THydrogen-bonded Turntrans-64.8-8.3-174.937.80000116.4S388S388-T392 WeakPolarHBondContact O-CG2 3.5Å; S388-T392 PolarHBondContact O-N 2.92Å
393N40.1Very low41Very low152 Ų152120.8 Ų120.881%0.81366%0.661SS**THydrogen-bonded Turntrans-90.6-11.7174.1-100.320.1000114.4L391L391-N393 PolarHBondContact O-N 2.73Å
394N37.8Very low39.8Very low111 Ų111121.8 Ų121.859%0.59468%0.678SS**SBendtrans-103.6114.6-178.1-83.1-18000111.8L391 Y396L391-N394 PolarHBondContact O-N 2.85Å; L391-N394 VanDerWaalsContact O-N 3.13Å; N394-Y396 HydrophobicContact CB-CD2 3.99Å; N394-Y396 HydrophobicContact CB-CE2 3.93Å; N394-Y396 PolarHBondContact O-N 3.22Å
395R35.2Very low39.2Very low240 Ų240121.3 Ų121.391%0.90668%0.679SS**  trans-76.376.3-176.1-65.6179.4177.9169.8-1.7112.9
396Y38.3Very low38.5Very low191 Ų191127.1 Ų127.175%0.74970%0.696SS**  trans-133.5106.4171.3-52.4-69000111.3N394N394-Y396 HydrophobicContact CB-CD2 3.99Å; N394-Y396 HydrophobicContact CB-CE2 3.93Å; N394-Y396 PolarHBondContact O-N 3.22Å
397P37.4Very low38Very low113 Ų113132.4 Ų132.473%0.73472%0.715SS**  trans-80.1127.7172.831.7-31.1000110.4
398L38.4Very low37.5Very low170 Ų170139.3 Ų139.389%0.8974%0.736SS**  trans-103.5100.9169.2-70.9179.5000109.9
399T35.4Very low37.2Very low132 Ų132141.9 Ų141.981%0.8174%0.744SS**  trans-102.4101.4176.343.20000111.7
400S36.3Very low36.8Very low107 Ų107146 Ų14675%0.74875%0.748SS**  trans-177.8150.2159.849.20000108.2
401L32.5Very low36.4Very low160 Ų160145.8 Ų145.884%0.83875%0.753SS**  cis178.4161.7-27.2-109.6158.2000103.4
402S33.9Very low36Very low102 Ų102146.9 Ų146.971%0.71376%0.758SS**  trans55.993.7171.8-67.40000119.6
403S39.4Very low35.5Very low91 Ų91146 Ų14664%0.63675%0.754SS**SBend33.3128.4121.260.50000121.5
404N33.1Very low35.4Very low173 Ų173147.7 Ų147.793%0.92575%0.754SS**  trans78.922.7143.9-52.6-8.7000119.1
405G32.8Very low35.8Very low55 Ų55147.2 Ų147.257%0.56776%0.76SS**  trans-129.2135.2174.500000114.6F407G405-F407 PolarHBondContact O-N 2.78Å
406K35.1Very low36.1Very low201 Ų201143 Ų14387%0.87475%0.754SS**  trans-67.1120175.9-58.8155.7-175.5163.30110.5
407F33.8Very low36Very low188 Ų188140.9 Ų140.983%0.82576%0.755SS**  trans-128134.8169.5-85.3-81.1000113.4G405G405-F407 PolarHBondContact O-N 2.78Å
408Y32.3Very low36Very low203 Ų203140.4 Ų140.480%0.79675%0.754SS**  trans-102.5111.1172.6-67.6-87.1000108.9Y410Y408-Y410 PolarHBondContact O-N 2.92Å
409N32.3Very low35.8Very low126 Ų126141.6 Ų141.667%0.67476%0.755SS**  trans-77.397179.4-70.4-10.4000111.3
410Y35.3Very low35.8Very low168 Ų168140.6 Ų140.666%0.65975%0.751SS**  trans-114.699.5158.4-75.6-74.6000108.7Y408 I412Y408-Y410 PolarHBondContact O-N 2.92Å; Y410-I412 PolarHBondContact O-N 3.22Å
411I37.1Very low36Very low156 Ų156143.1 Ų143.180%0.875%0.751SS**  trans-82.7113.5173.4-61.4174.4000107.6
412I36.1Very low36.1Very low132 Ų132142.3 Ų142.368%0.67775%0.747SS**  trans-88.9127172.5-58.8176.5000107.9Y410Y410-I412 PolarHBondContact O-N 3.22Å
413P33.5Very low36.2Very low94 Ų94143.5 Ų143.561%0.6176%0.756SS**  trans-61140.4174-23.534.6000112S415P413-S415 PolarHBondContact O-N 2.64Å
414K36.7Very low36Very low188 Ų188144.4 Ų144.482%0.81776%0.762SS**SBendtrans-72.711.8-175.8-77-171.9172.2-175.50115.5L416K414-L416 PolarHBondContact O-N 3.04Å; K414-L416 VanDerWaalsContact O-N 3.12Å
415S47.4Very low35.9Very low102 Ų102143.6 Ų143.671%0.71376%0.756SS**THydrogen-bonded Turntrans-79.918.4-17659.80000115.1P413P413-S415 PolarHBondContact O-N 2.64Å
416L41Very low35.9Very low150 Ų150148.3 Ų148.379%0.78577%0.766SS**THydrogen-bonded Turntrans-121.218.4-179.9-72.2173.5000113K414K414-L416 PolarHBondContact O-N 3.04Å; K414-L416 VanDerWaalsContact O-N 3.12Å
417I36.2Very low35.7Very low147 Ų147147.7 Ų147.775%0.75477%0.769SS**  trans-109.884.2175.9-56.4178000108.9
418S37Very low35.7Very low104 Ų104143.9 Ų143.973%0.72777%0.766SS**  trans-156.960.7174.565.20000113.7
419Q34.2Very low35.8Very low195 Ų195141.3 Ų141.391%0.91177%0.771SS**  trans-164.3116.3147.2-112.8-178.924.800110.3
420P36.3Very low35.8Very low110 Ų110138.3 Ų138.371%0.71477%0.77SS**  trans-104.7127.7174.634.6-27000111.9
421Q40.7Very low35.5Very low161 Ų161134.3 Ų134.375%0.75278%0.78SS**  trans-149.8119.3150.4-76.9-53.6-5500110.3
422N34.9Very low35.4Very low143 Ų143134.9 Ų134.977%0.76578%0.783SS**  trans38.990.7144.8-50.6-20.8000119.6
423S34.8Very low35.2Very low127 Ų127136.8 Ų136.889%0.88879%0.789SS**  -167.3149.9126.735.10000111
424S36.1Very low35.4Very low110 Ų110140.6 Ų140.677%0.76980%0.803SS**  trans-91126.4-169.452.50000113.6
425I30.7Very low35.2Very low155 Ų155142.4 Ų142.480%0.79581%0.805SS**  trans24.3109.9137-49.9173000116.5
426I31.6Very low34.7Very low154 Ų154146.8 Ų146.879%0.7981%0.811SS**  -162.5114.3120.1-91.1145.6000107
427M31.8Very low34.3Very low189 Ų189145.4 Ų145.493%0.93181%0.814SS**  trans-107.583.4174.8-89.8-79.2-74.100109
428S33.2Very low34.1Very low107 Ų107148.9 Ų148.975%0.74882%0.819SS**  trans-75.5132.7176.4-172.50000111G430S428-G430 VanDerWaalsContact C-N 3.33Å; S428-G430 PolarHBondContact O-N 2.96Å
429T35.1Very low34.2Very low150 Ų150153.3 Ų153.392%0.9283%0.825SS**  trans-79.876-177.751.60000111.8
430G31.8Very low34.1Very low62 Ų62155.3 Ų155.364%0.63982%0.824SS**  trans-103.3138.3174.800000112.9S428S428-G430 VanDerWaalsContact C-N 3.33Å; S428-G430 PolarHBondContact O-N 2.96Å
431G28.6Very low34.1Very low85 Ų85155.7 Ų155.788%0.87683%0.829SS**  trans-72.7147.9-171.200000115.4
432I35.7Very low33.7Very low168 Ų168154.9 Ų154.986%0.86283%0.831SS**  trans-105127.8169.1-63.7-179.2000110.3L434I432-L434 PolarHBondContact O-N 2.92Å
433H32.6Very low33.9Very low171 Ų171157.5 Ų157.579%0.79284%0.835SS**  trans-55.4125.6178.9-112.6-87000113.6R435H433-R435 PolarHBondContact O-N 2.97Å
434L36.7Very low34.1Very low174 Ų174156.4 Ų156.491%0.91183%0.827SS**  trans-8899.2152.1-78.3177.8000109.3I432 K436I432-L434 PolarHBondContact O-N 2.92Å; L434-K436 PolarHBondContact O-N 2.79Å
435R33.4Very low34Very low227 Ų227158.4 Ų158.486%0.85783%0.828SS**  trans-69117.7-176.9-154.1177.8-165.4-178.85110.3H433 S437H433-R435 PolarHBondContact O-N 2.97Å; R435-S437 PolarHBondContact O-N 3.32Å
436K36.4Very low34.3Very low194 Ų194156.2 Ų156.284%0.84382%0.818SS**  trans-68.4115.8169.7-75.2-179.2177.5176.80109.5L434 Y438L434-K436 PolarHBondContact O-N 2.79Å; K436-Y438 PolarHBondContact O-N 3.03Å
437S33.3Very low34.5Very low121 Ų121156.5 Ų156.585%0.84682%0.817SS**  trans-83.491.7170.1-66.90000110.7R435R435-S437 PolarHBondContact O-N 3.32Å
438Y31.7Very low34.9Very low220 Ų220155.6 Ų155.686%0.86382%0.815SS**PPolyproline II helixtrans-91.4120.7166.7-131.3-94.5000108.8K436K436-Y438 PolarHBondContact O-N 3.03Å
439K38.9Very low35Very low196 Ų196159.6 Ų159.685%0.85282%0.818SS**PPolyproline II helixtrans-78.9137.5169.9-84.4-170.2171.9-173.40109.5
440R31.4Very low35.1Very low237 Ų237159 Ų15989%0.89482%0.815SS**PPolyproline II helixtrans-70.1140.3167.8-84.9177.1163.5168.8-6.9110.5
441S36Very low35.4Very low118 Ų118160.6 Ų160.683%0.82581%0.814SS**  trans-147.9111.1153.154.30000107.9
442N33.3Very low35.5Very low145 Ų145167.3 Ų167.378%0.77581%0.814SS**  trans-82.5134.3-179.6-64.8-7.1000110.4
443K39.7Very low35.4Very low198 Ų198169.2 Ų169.286%0.86182%0.817SS**  trans-166.2146.8143.2-110.4168.9-177.1-174.80111.5
444S37.5Very low35.3Very low103 Ų103169.2 Ų169.272%0.7282%0.821SS**  trans-7.4150.5152.549.40000119.1
445L35.5Very low35.1Very low152 Ų152165.4 Ų165.480%0.79682%0.815SS**  cis-168.2178.7-9.6-173.556.1000107.3
446D36.3Very low35Very low109 Ų109163.3 Ų163.358%0.58382%0.82SS**  trans75.1110.7160.1-69.1-57.6000121.3
447Q36.6Very low34.8Very low161 Ų161159.6 Ų159.675%0.75282%0.818SS**  50.5107.6125.1-57.4-179.568.600119.8
448L38.3Very low34.7Very low170 Ų170159.2 Ų159.289%0.8982%0.815SS**  -168.6160.595.9-100.1166.9000113.1
449K35.5Very low34.9Very low190 Ų190154.4 Ų154.483%0.82681%0.814SS**  trans-74.1139.7-176.2-68.3170.5174.3172.70112.8
450T38.7Very low34.7Very low139 Ų139149.2 Ų149.285%0.85380%0.802SS**  -179.3144.5111.425.40000111.7
451P38.1Very low35Very low95 Ų95146.1 Ų146.162%0.61780%0.803SS**  trans-108.8158.2-176.338.9-32.3000116
452Y29.4Very low34.7Very low225 Ų225147.3 Ų147.388%0.88280%0.8SS**  trans-5.9132.6166.9-1.3-73.5000120.2
453K33.7Very low35Very low209 Ų209147 Ų14791%0.90980%0.803SS**  trans-139125.3144.2-162.8170.3-173.7177.40110.4
454L30.8Very low34.6Very low171 Ų171144.2 Ų144.290%0.89580%0.798SS**  trans-86.5143.7170.8-72167000109.5
455A33.1Very low34.3Very low94 Ų94146.3 Ų146.378%0.77780%0.799SS**  trans-147.3101167.400000109.8
456L30.1Very low34.3Very low183 Ų183147.5 Ų147.596%0.95880%0.801SS**  trans-102.7124157.1-76.7168.8000106.4
457S32.3Very low34.3Very low116 Ų116149.6 Ų149.681%0.81181%0.806SS**  trans-147.295.5174.357.60000109.6
458S32.1Very low34.1Very low112 Ų112147.6 Ų147.678%0.78381%0.805SS**  trans-75.6128.3167.347.10000109.9S460S458-S460 PolarHBondContact O-N 3.14Å
459S34.9Very low34Very low119 Ų119144.6 Ų144.683%0.83280%0.796SS**  trans-82.299.8169.754.20000110.2
460S35.3Very low33.6Very low87 Ų87143.3 Ų143.361%0.60880%0.797SS**  trans-69.9149.7163.9-64.50000110.7S458S458-S460 PolarHBondContact O-N 3.14Å
461L37.7Very low33.4Very low173 Ų173142.7 Ų142.791%0.90679%0.794SS**  trans-119.696.5160.9-81.4169.9000107.2
462D30.8Very low33.1Very low142 Ų142146 Ų14676%0.75980%0.801SS**  trans-88128.3176.6-66.4-67.6000110.3
463V38Very low33.3Very low138 Ų138141.6 Ų141.684%0.83679%0.793SS**  trans-13093.1167.6-1770000109.4
464N32.7Very low33.4Very low141 Ų141139.7 Ų139.775%0.75478%0.784SS**  trans44122152.8-152.57.4000119.9
465I30.9Very low33.6Very low146 Ų146138.1 Ų138.175%0.74977%0.773SS**  trans-116.1126.9175.5-62.8168.6000109.6
466Q34.7Very low33.7Very low178 Ų178140 Ų14083%0.83277%0.769SS**  trans-137.291.4160.1-72.5-163.3-16.400112.5
467H36.1Very low34Very low152 Ų152138.7 Ų138.770%0.70476%0.763SS**  trans43.3106.8130.4-82.5-85.6000122.1
468T33.2Very low34Very low119 Ų119140.8 Ų140.873%0.7377%0.765SS**  52.1156.3117.754.30000122.7
469P35.7Very low34.1Very low107 Ų107140.8 Ų140.870%0.69577%0.765SS**  cis-142.1176.3-24.438.4-18.8000116.5
470L26.9Very low33.8Very low163 Ų163140.6 Ų140.685%0.85376%0.758SS**  trans37.4111.4144.5-69165.4000122.8
471T35.5Very low33.9Very low126 Ų126143.7 Ų143.777%0.77377%0.766SS**  -177.1125.6124.630.20000107.4
472Q30.9Very low33.5Very low164 Ų164139.6 Ų139.677%0.76675%0.748SS**  87.3140.565.1-163.7174.214.900113.4
473N33.9Very low33.5Very low134 Ų134142.3 Ų142.372%0.71775%0.754SS**  trans82.9120.6-173.7-53-41.2000113.6
474K35.8Very low33Very low169 Ų169142.6 Ų142.674%0.73575%0.746SS**  66.313485.7-72.9-177.9153-1380112.5
475E35.4Very low32.9Very low138 Ų138140.8 Ų140.865%0.64574%0.742SS**  cis-151163.112-118144.6-166.400111.9
476D34.3Very low33Very low133 Ų133139.9 Ų139.971%0.71174%0.743SS**  trans23.2123156.1-51.8-20000121.5
477N37Very low32.7Very low155 Ų155137.2 Ų137.283%0.82974%0.739SS**  -175.3161.5100.2-101.1-77000113.4
478L33.3Very low32.6Very low160 Ų160138.7 Ų138.784%0.83875%0.745SS**  trans-85.2133.9-170.2-7473.3000113.8
479S33.3Very low32.3Very low112 Ų112139.1 Ų139.178%0.78374%0.744SS**  trans-145.8123.4142.260.80000110.2
480V29.3Very low31.9Very low115 Ų115141.3 Ų141.370%0.69775%0.749SS**  trans-100.1116.7-171.6-1760000110.2T482V480-T482 WeakPolarHBondContact CG1-OG1 3.45Å; V480-T482 PolarHBondContact O-N 3.12Å
481I36.3Very low32.1Very low153 Ų153139.5 Ų139.579%0.78574%0.744SS**  trans-94.591.5171.2-58.5-178.2000109
482T29.7Very low31.8Very low86 Ų86139.2 Ų139.253%0.52874%0.744SS.*  trans-83.6117.7-177.3-44.50000112.1V480 Q484V480-T482 WeakPolarHBondContact CG1-OG1 3.45Å; V480-T482 PolarHBondContact O-N 3.12Å; T482-Q484 HydrophobicContact CG2-CG 3.78Å; T482-Q484 PolarHBondContact O-N 3.21Å
483F30.5Very low31.8Very low199 Ų199138.1 Ų138.187%0.87375%0.748SS**  trans-75.787.9163.1-79.5-86.7000110.4P485F483-P485 WeakPolarHBondContact O-CD 3.33Å
484Q28.4Very low31.6Very low145 Ų145138.8 Ų138.868%0.67875%0.752SS**  trans-81.1123.6176.3-78-67.52.200112.5T482 V486T482-Q484 HydrophobicContact CG2-CG 3.78Å; T482-Q484 PolarHBondContact O-N 3.21Å; Q484-V486 PolarHBondContact O-N 3.4Å
485P30.1Very low31.5Very low103 Ų103140 Ų14067%0.66976%0.76SS**  trans-81.8109.5163.232.2-29.2000109.5F483 V487F483-P485 WeakPolarHBondContact O-CD 3.33Å; P485-V487 PolarHBondContact O-N 3.31Å
486V32.8Very low31.2Very low126 Ų126137.7 Ų137.776%0.76477%0.765SS**  trans-70.197.3-177.2-177.70000111.2Q484Q484-V486 PolarHBondContact O-N 3.4Å
487V28.2Very low31.2Very low123 Ų123137.3 Ų137.375%0.74577%0.773SS**  trans-131.483.8167.5-172.90000108.5P485P485-V487 PolarHBondContact O-N 3.31Å
488H33.7Very low31Very low182 Ų182135.5 Ų135.584%0.84377%0.772SS**  trans-83.7144.1170.4-87.1-84.3000111.5
489N27.2Very low30.9Very low129 Ų129132.8 Ų132.869%0.6977%0.767SS**  trans-150.9141.4-163.7-154.98.5000108.4
490L28Very low30.9Very low153 Ų153133.3 Ų133.380%0.80177%0.765SS**  trans66.2167.2179.2-37.1172.7000113.6
491V30.8Very low30.9Very low125 Ų125135.3 Ų135.376%0.75877%0.771SS**  cis-140.9148.94.6-175.40000108.6
492P28Very low30.6Very low119 Ų119140 Ų14077%0.77378%0.779SS**  trans-96.9152.7174.536.9-34000114.7
493V32.5Very low30.6Very low141 Ų141143.1 Ų143.186%0.85579%0.79SS**  trans-141.8142.6167.9179.60000110.4
494N28.8Very low30.7Very low149 Ų149142.1 Ų142.180%0.79779%0.791SS**  trans-101.8137.9177.8-74.6-35.4000112.4
495Q33.5Very low30.8Very low193 Ų193142.4 Ų142.490%0.90280%0.797SS**  trans-178108.7142.3-99.1156.644.200107.1
496A30.3Very low30.9Very low91 Ų91143.7 Ų143.775%0.75280%0.803SS**  818861.500000114.5
497S33.2Very low30.9Very low124 Ų124147 Ų14787%0.86781%0.807SS**  trans-174.1149.8136.8-860000113.9
498S33.3Very low31.1Very low118 Ų118146.9 Ų146.983%0.82581%0.809SS**  trans0.3144.4156.4-92.30000120.3
499S31.6Very low31Very low103 Ų103145.8 Ų145.872%0.7281%0.807SS**  cis-171.4-175.120.144.70000113.6
500V31.9Very low31.1Very low123 Ų123147.3 Ų147.375%0.74582%0.815SS**  trans74.477.4164.9-160.80000118.4
501L29.8Very low31.3Very low156 Ų156146 Ų14682%0.81781%0.813SS**  35.6108.3123.1-61.6170.6000119.9
502R30.5Very low31.5Very low252 Ų252145.6 Ų145.695%0.95181%0.811SS**  -162.3110.3103.1-102.8-179.9-164.8-156.84.4111.1
503I30.5Very low31.6Very low151 Ų151147.4 Ų147.477%0.77481%0.814SS**  trans-91.9136.6168.8-63.5167.9000108.1
504M32.4Very low31.6Very low179 Ų179150.3 Ų150.388%0.88282%0.816SS**  trans-151.988.5147.6-91.8-116.4-90.100110
505N30.3Very low31.8Very low151 Ų151153.4 Ų153.481%0.80782%0.822SS**  trans-73.4133.5155.2-93.6-31.1000108.4
506T32.6Very low31.6Very low129 Ų129149.9 Ų149.979%0.79182%0.819SS**  trans-170.2147.8144.411.30000111.4
507K30.8Very low31.7Very low197 Ų197150.7 Ų150.786%0.85782%0.819SS**  trans-113.3178.9160.7-58.1176.8179.8173.40107.1
508P32.9Very low31.8Very low119 Ų119152.1 Ų152.177%0.77381%0.812SS**  -124.4155.9-66.936.6-23.4000110.3
509I31.1Very low31.9Very low159 Ų159153.7 Ų153.782%0.81581%0.805SS**  trans-125.3125.6175.8-60.1-177.2000111
510L30.5Very low31.9Very low162 Ų162155.5 Ų155.585%0.84880%0.801SS**  trans-83118.2166.6-86.1158.6000108.9T512L510-T512 PolarHBondContact O-N 3.12Å
511T31.9Very low31.8Very low125 Ų125156.1 Ų156.177%0.76780%0.795SS**  trans-88.199.2173.352.80000110.5
512T34.3Very low32Very low117 Ų117154.7 Ų154.772%0.71879%0.789SS**  trans-99.5107.4170.849.80000110.5L510 F514L510-T512 PolarHBondContact O-N 3.12Å; T512-F514 PolarHBondContact O-N 3.45Å
513N30.1Very low32.1Very low157 Ų157149.2 Ų149.284%0.8477%0.774SS**  trans-80.5111.3173-73.6-9.2000110.4
514F32.7Very low32.1Very low201 Ų201151.2 Ų151.288%0.88277%0.773SS**  trans-125.8133.2156.6-93.5-86.7000108.7T512T512-F514 PolarHBondContact O-N 3.45Å
515K32.7Very low32.1Very low215 Ų215149.9 Ų149.994%0.93577%0.769SS**  trans-77.8147.2173.3-87.3-174.3169.2-174.40110
516S29.3Very low31.9Very low119 Ų119150.5 Ų150.583%0.83277%0.771SS**  trans-109.7146-178530000113.4
517S33.6Very low32Very low107 Ų107149.8 Ų149.875%0.74877%0.771SS**  trans-168.1142.6152.944.80000106.9
518H35.8Very low32.2Very low155 Ų155144.6 Ų144.672%0.71876%0.76SS**  cis-154.2141.8-8-116.1-72.8000107.6
519H33.6Very low32.1Very low150 Ų150148.7 Ų148.769%0.69477%0.766SS**  trans60160.5156.4-67.5-49.2000118.7
520K33.6Very low32.3Very low142 Ų142152.4 Ų152.462%0.61777%0.77SS**  cis-149.7126.5-6.9-123175179.6-77.40106.6
521E29.8Very low32.3Very low135 Ų135149.6 Ų149.663%0.63177%0.77SS**  94.9150.4105.7-98.2162.8-152.400114.9
522D33.8Very low32.5Very low127 Ų127147.2 Ų147.268%0.67977%0.77SS**  trans65.7141164.7-60.2-21.3000121.6
523Q32.3Very low32.6Very low137 Ų137147.5 Ų147.564%0.6478%0.777SS**  cis-161.2162.1-21.9-119.3175.261.300109.9
524Y29.4Very low32.7Very low192 Ų192146.4 Ų146.475%0.75378%0.776SS**  trans17.9149.7160.7-55.9-62000122.2
525N32.5Very low32.7Very low152 Ų152143 Ų14381%0.81377%0.771SS**  cis-158.7171.627.1-135.4-22000112.8
526I27.3Very low32.8Very low163 Ų163139 Ų13984%0.83676%0.764SS**  trans-121.8129-176.9-62.4172.3000112.5
527S34.9Very low33Very low114 Ų114141.8 Ų141.880%0.79776%0.764SS**  trans-171166.4152.556.60000112.4
528S33.8Very low33Very low89 Ų89144.6 Ų144.662%0.62277%0.765SS**  -164.2141.5-5557.90000110.1
529F31.7Very low33.1Very low205 Ų205142 Ų14290%0.89976%0.762SS**  trans61.5166.5175.8-60.6-77.7000114.9
530R34Very low33.3Very low236 Ų236140.7 Ų140.789%0.89177%0.765SS**  cis-143.5146.916.2-161.5178.1-167.11713.5110.5
531A32.6Very low33.4Very low104 Ų104143.8 Ų143.886%0.8677%0.774SS**  trans-76.1146.8178.200000112.4
532G35.1Very low33.6Very low74 Ų74142.2 Ų142.276%0.76378%0.778SS**  trans-124.6143.2172.700000111.3
533S36.1Very low33.6Very low123 Ų123144 Ų14486%0.8679%0.787SS**  trans-73.4147.9-167.9-56.60000114.4
534V31.7Very low33.8Very low135 Ų135144.6 Ų144.682%0.81879%0.794SS**  trans-75123.3172.6176.80000110.4
535V33.5Very low34Very low128 Ų128140.6 Ų140.678%0.77679%0.794SS**  trans-131.4115.7162.2-179.60000108.1
536V35.7Very low34.1Very low132 Ų132143.1 Ų143.180%0.879%0.793SS**  trans-135.7120.3168.3179.80000107
537Q32.5Very low34.5Very low177 Ų177140.5 Ų140.583%0.82779%0.789SS**  trans-70.9149.3-175.3-70.6164.4-79.400112
538Q33.3Very low34.5Very low167 Ų167141.9 Ų141.978%0.7879%0.788SS**  trans-70.1142.4166.8-65.4-179.9-12.500110.2T540Q538-T540 PolarHBondContact O-N 3.42Å; Q538-T540 VanDerWaalsContact O-N 3.1Å
539P39Very low34.7Very low100 Ų100143 Ų14365%0.64980%0.795SS**  trans-73.399.2165.630-32000109.6Y541P539-Y541 HydrophobicContact CB-CD2 4.4Å; P539-Y541 HydrophobicContact CB-CE2 3.95Å; P539-Y541 HydrophobicContact CG-CE2 4.15Å; P539-Y541 WeakPolarHBondContact O-CD2 3.42Å; P539-Y541 PolarHBondContact O-N 2.92Å; P539-Y541 VanDerWaalsContact O-N 3.09Å
540T36.8Very low34.9Very low123 Ų123138.6 Ų138.676%0.75579%0.79SS**  trans-71.597.9173.746.40000110.6Q538 S542Q538-T540 PolarHBondContact O-N 3.42Å; Q538-T540 VanDerWaalsContact O-N 3.1Å; T540-S542 PolarHBondContact O-N 3.1Å; T540-S542 VanDerWaalsContact O-N 3.12Å
541Y36Very low35.2Very low206 Ų206135.8 Ų135.881%0.80879%0.787SS**  trans-77.691170.6-73.8-83.4000110.4P539 L543P539-Y541 HydrophobicContact CB-CD2 4.4Å; P539-Y541 HydrophobicContact CB-CE2 3.95Å; P539-Y541 HydrophobicContact CG-CE2 4.15Å; P539-Y541 WeakPolarHBondContact O-CD2 3.42Å; P539-Y541 PolarHBondContact O-N 2.92Å; P539-Y541 VanDerWaalsContact O-N 3.09Å; Y541-L543 PolarHBondContact O-N 3.01Å
542S34.5Very low35.5Very low102 Ų102137 Ų13771%0.71378%0.784SS**  trans-71105.8172.439.60000111T540 L544T540-S542 PolarHBondContact O-N 3.1Å; T540-S542 VanDerWaalsContact O-N 3.12Å; S542-L544 PolarHBondContact O-N 3.46Å; S542-L544 VanDerWaalsContact O-N 3.11Å
543L34.1Very low35.6Very low166 Ų166139 Ų13987%0.86978%0.782SS**  trans-75.694.6169.8-69.5175.9000109.7Y541 S545Y541-L543 PolarHBondContact O-N 3.01Å; L543-S545 PolarHBondContact O-N 3.41Å
544L34.6Very low35.7Very low149 Ų149139.1 Ų139.178%0.7878%0.777SS**  trans-70.896.2169.5-90163.3000110.3S542 Y546S542-L544 PolarHBondContact O-N 3.46Å; S542-L544 VanDerWaalsContact O-N 3.11Å; L544-Y546 PolarHBondContact O-N 3.43Å
545S34.1Very low36.1Very low107 Ų107137.9 Ų137.975%0.74877%0.769SS**  trans-78.9103.2170.451.30000110.6L543 S547L543-S545 PolarHBondContact O-N 3.41Å; S545-S547 PolarHBondContact O-N 3.4Å
546Y34.1Very low36.3Very low205 Ų205140.2 Ų140.280%0.80477%0.769SS**  trans-8395168.4-106.3-88.2000110.5L544 N548L544-Y546 PolarHBondContact O-N 3.43Å; Y546-N548 PolarHBondContact O-N 2.82Å
547S36.4Very low36.7Very low108 Ų108141.3 Ų141.376%0.75577%0.765SS**  trans-87.889.5174.849.30000110.8S545 S549S545-S547 PolarHBondContact O-N 3.4Å; S547-S549 PolarHBondContact O-N 2.66Å; S547-S549 VanDerWaalsContact O-N 3.13Å
548N35.5Very low37.2Very low144 Ų144140.3 Ų140.377%0.7776%0.761SS**  trans-70.2105.6170.6-82.93.5000110.2Y546Y546-N548 PolarHBondContact O-N 2.82Å
549S38.4Very low37.5Very low111 Ų111138.8 Ų138.878%0.77676%0.758SS**  trans-70.7146.1168.3-173.30000110.7S547S547-S549 PolarHBondContact O-N 2.66Å; S547-S549 VanDerWaalsContact O-N 3.13Å
550S35.5Very low37.8Very low114 Ų114138.6 Ų138.680%0.79776%0.759SS**  trans-114.7110.3-179.8-64.40000111
551Q40.3Very low38.2Very low177 Ų177138.5 Ų138.583%0.82776%0.764SS**  trans-134.6110.1159.7-67.5-168.6-0.100108.2
552V39.3Very low38.7Very low129 Ų129132.1 Ų132.178%0.78276%0.76SS**  73.794.291.4177.90000113
553T35.4Very low39.3Very low117 Ų117133.4 Ų133.472%0.71876%0.764SS**  trans24.3125.6132.7-45.60000119.9
554T38.6Very low40Very low124 Ų124136.9 Ų136.976%0.76178%0.783SS**  -176.7104.4117.1-73.90000113.4
555V39.7Very low40.3Very low109 Ų109136.3 Ų136.366%0.66178%0.783SS**  trans41.9149.4140.1-149.40000123.3
556F39Very low40.6Very low177 Ų177137.8 Ų137.878%0.77679%0.785SS**  trans103.287.4156.9-71.4-71.1000121.4
557H43Very low41Very low155 Ų155134.1 Ų134.172%0.71878%0.784SS**  55.8134.4121.4-96.2-62.5000124.2
558Q43.5Very low41.3Very low157 Ų157135.6 Ų135.673%0.73479%0.786SS**  trans70.9146.5150.4-63.8-176.333.800117.7
559N40.3Very low41.6Very low134 Ų134135.1 Ų135.172%0.71779%0.787SS**  cis-159.1164.2-20.1-117.4-6.7000111.2
560S45.2Very low41.9Very low97 Ų97136.7 Ų136.768%0.67879%0.788SS**  trans55.3121.6150.357.80000122.9
561S44.2Very low42.3Very low121 Ų121138.3 Ų138.385%0.84679%0.787SS**  trans65.9134136.961.10000121.7
562G47.7Very low42.5Very low71 Ų71135.3 Ų135.373%0.73278%0.784SS**  trans164.752.3170.600000117.4
563T46.3Very low42.7Very low130 Ų130135.8 Ų135.880%0.79878%0.784SS**  trans1.4110.4159.652.40000119.8
564N49.9Very low43.4Very low238 Ų238137.5 Ų137.5100%1.27379%0.79SS**  -170.60105.9-92.4-18.6000111.4

Retrieved 564 of 564 residues in 691.6 ms (Link to these results)

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