A0A077ZFZ2_TRITR Loading...

Queuosine 5'-phosphate N-glycosylase/hydrolase

Catalyzes the hydrolysis of queuosine 5'-phosphate, releasing the nucleobase queuine (q). Is required for salvage of queuine from exogenous queuosine (Q) that is imported and then converted to queuosine 5'-phosphate intracellularly.

AlphaFold DB , UniProt , Accession A0A077ZFZ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 416 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
1M30.6Very low68.6Low245 Ų24589 Ų89100%1.20747%0.473SS*.  0133.40-72.3164.1169.100107.3
2H48.7Very low70.2Confident141 Ų14194.5 Ų94.565%0.65348%0.482SS*.PPolyproline II helixtrans-82.3158.8164.6-64.7-86000108.6
3A53.3Low71.4Confident89 Ų8991.8 Ų91.874%0.73647%0.47SS*.PPolyproline II helixtrans-65.9141.3169.700000109.8
4E56.9Low72.8Confident181 Ų18193.7 Ų93.785%0.84648%0.481SS*.PPolyproline II helixtrans-65.5148.3172.1-66.6-176.3156.300110.5N6E4-N6 PolarHBondContact O-N 3.49Å
5W64.9Low73.6Confident12 Ų1288.6 Ų88.65%0.04546%0.455CS..  trans-70.698.1175.4-83.362000110.4C7 L10 D17 P18 W19 M146 M149 L173 Q177 F197 T198W5-C7 PolarHBondContact O-N 2.94Å; W5-L10 HydrophobicContact CE3-CD1 4.39Å; W5-D17 HydrophobicContact CB-CB 3.58Å; W5-D17 HydrophobicContact CD2-CB 4.35Å; W5-D17 HydrophobicContact CG-CB 3.64Å; W5-P18 HydrophobicContact CD2-CG 4.18Å; W5-P18 HydrophobicContact CE3-CG 4.29Å; W5-P18 HydrophobicContact CH2-CG 3.85Å; W5-P18 HydrophobicContact CZ2-CB 4.08Å; W5-P18 HydrophobicContact CZ2-CG 3.62Å; W5-P18 HydrophobicContact CZ3-CG 4.15Å; W5-W19 AromaticContact NE1-CD1 3.6Å; W5-W19 AromaticContact NE1-NE1 3.94Å; W5-M146 HydrophobicContact CB-CE 4.08Å; W5-M146 HydrophobicContact CD2-CE 4.17Å; W5-M146 HydrophobicContact CE3-CE 3.76Å; W5-M146 HydrophobicContact CE3-SD 4.27Å; W5-M146 HydrophobicContact CG-CE 4.36Å; W5-M146 HydrophobicContact CZ3-CE 4.45Å; W5-M146 HydrophobicContact CZ3-SD 4.41Å; W5-M149 HydrophobicContact CZ3-CE 4.18Å; W5-M149 HydrophobicContact CZ3-CG 4.39Å; W5-L173 HydrophobicContact CZ3-CD1 4.09Å; W5-Q177 HydrophobicContact CH2-CG 3.87Å; W5-F197 HydrophobicContact CH2-CB 3.62Å; W5-F197 HydrophobicContact CH2-CG 4.37Å; W5-F197 HydrophobicContact CZ2-CB 3.62Å; W5-F197 HydrophobicContact CZ2-CD1 4.23Å; W5-F197 HydrophobicContact CZ2-CG 4.32Å; W5-T198 WeakPolarHBondContact CZ2-O 3.43Å
6N75.6Confident74.5Confident119 Ų11985.9 Ų85.964%0.63644%0.441SS*.  trans-71.865.8172.7-168.927000111.7E4E4-N6 PolarHBondContact O-N 3.49Å
7C80.9Confident75.1Confident0 Ų082.8 Ų82.80%043%0.426CS..  trans-113.2102.2179.1-172.60000109.5W5 Y9 L10 T11 M146W5-C7 PolarHBondContact O-N 2.94Å; C7-Y9 PolarHBondContact O-N 3.48Å; C7-L10 HydrophobicContact CB-CB 4.32Å; C7-L10 HydrophobicContact CB-CD1 4.02Å; C7-L10 HydrophobicContact CB-CG 4.05Å; C7-L10 PolarHBondContact O-N 3.09Å; C7-T11 PolarHBondContact O-N 3.34Å; C7-T11 PolarHBondContact O-OG1 3.46Å; C7-M146 HydrophobicContact CB-CE 3.8Å
8D85.6Confident75.3Confident63 Ų6378.2 Ų78.234%0.33740%0.402SS..Hα-helixtrans-48.4-38.6-178-69.8-65.7000113.4L10 R12 Q147D8-L10 PolarHBondContact O-N 2.99Å; D8-R12 WeakPolarHBondContact O-CB 3.26Å; D8-R12 PolarHBondContact O-N 3.06Å; D8-Q147 PolarHBondContact OD2-NE2 3.15Å
9Y85.3Confident75.4Confident22 Ų2276.6 Ų76.69%0.08639%0.391CS..Hα-helixtrans-62.2-40.9178.6-178.4-89.2000112.8C7 N13 I15 S150 L153 E154 R160 I162C7-Y9 PolarHBondContact O-N 3.48Å; Y9-N13 WeakPolarHBondContact O-CB 3.46Å; Y9-N13 PolarHBondContact O-N 2.81Å; Y9-N13 PolarHBondContact O-ND2 3.44Å; Y9-I15 HydrophobicContact CE1-CD1 4.12Å; Y9-S150 PolarHBondContact N-OG 3.23Å; Y9-L153 HydrophobicContact CD1-CB 3.66Å; Y9-L153 HydrophobicContact CD1-CD1 3.63Å; Y9-L153 HydrophobicContact CD1-CG 4.29Å; Y9-L153 HydrophobicContact CD2-CB 4.17Å; Y9-L153 HydrophobicContact CE1-CB 3.97Å; Y9-L153 HydrophobicContact CE1-CD1 4.29Å; Y9-L153 HydrophobicContact CE2-CB 4.43Å; Y9-L153 HydrophobicContact CG-CB 3.78Å; Y9-L153 HydrophobicContact CG-CD1 4.24Å; Y9-E154 HydrophobicContact CD2-CG 3.69Å; Y9-E154 HydrophobicContact CE2-CG 4.35Å; Y9-R160 VanDerWaalsContact OH-CZ 3.23Å; Y9-R160 PolarHBondContact OH-NE 3.14Å; Y9-R160 PolarHBondContact OH-NH1 3.39Å; Y9-I162 HydrophobicContact CE1-CD1 3.88Å
10L86.2Confident75.9Confident3 Ų374.4 Ų74.42%0.01638%0.384CS..Hα-helixtrans-71.6-51-179.3-64-178.7000110.8W5 C7 D8 R12 N13 N14 I15 D17 L153 S171 L173W5-L10 HydrophobicContact CE3-CD1 4.39Å; C7-L10 HydrophobicContact CB-CB 4.32Å; C7-L10 HydrophobicContact CB-CD1 4.02Å; C7-L10 HydrophobicContact CB-CG 4.05Å; C7-L10 PolarHBondContact O-N 3.09Å; D8-L10 PolarHBondContact O-N 2.99Å; L10-R12 PolarHBondContact O-N 2.63Å; L10-N13 PolarHBondContact O-N 2.88Å; L10-N13 VanDerWaalsContact O-N 3.17Å; L10-N14 PolarHBondContact O-N 3.38Å; L10-N14 VanDerWaalsContact O-N 3.14Å; L10-I15 HydrophobicContact CB-CB 4.49Å; L10-I15 HydrophobicContact CD2-CB 4Å; L10-I15 HydrophobicContact CD2-CD1 4.35Å; L10-I15 HydrophobicContact CD2-CG2 3.95Å; L10-I15 PolarHBondContact O-N 3.06Å; L10-I15 VanDerWaalsContact O-N 3.1Å; L10-D17 HydrophobicContact CD1-CB 4.27Å; L10-L153 HydrophobicContact CD2-CD1 4.37Å; L10-S171 VanDerWaalsContact CD2-OG 3.24Å; L10-S171 WeakPolarHBondContact CD2-OG 3.38Å; L10-L173 HydrophobicContact CD1-CD1 4.03Å; L10-L173 HydrophobicContact CD2-CD1 4.32Å
11T86.5Confident76.4Confident104 Ų10470.9 Ų70.964%0.63837%0.366SS*.Hα-helixtrans-57.4-49.4179.2-48.50000111.3C7 N13 N14C7-T11 PolarHBondContact O-N 3.34Å; C7-T11 PolarHBondContact O-OG1 3.46Å; T11-N13 PolarHBondContact O-N 3.26Å; T11-N14 PolarHBondContact O-N 3.03Å
12R87.9Confident78.9Confident155 Ų15559.2 Ų59.259%0.58531%0.309SS*.Hα-helixtrans-62.9-26.9-179.6-168.3-169.8-55.1149.24.8113.4D8 L10 E154D8-R12 WeakPolarHBondContact O-CB 3.26Å; D8-R12 PolarHBondContact O-N 3.06Å; L10-R12 PolarHBondContact O-N 2.63Å; R12-E154 IonicContact CZ-OE1 3.73Å; R12-E154 IonicContact NH1-OE1 2.73Å; R12-E154 PolarHBondContact NH1-OE1 2.89Å; R12-E154 IonicContact NH2-OE1 3.85Å
13N86.5Confident80.7Confident60 Ų6054.9 Ų54.932%0.32129%0.29SS..Hα-helixtrans-99.11.8-179-74.9-84.6000113.8Y9 L10 T11 I15 K169Y9-N13 WeakPolarHBondContact O-CB 3.46Å; Y9-N13 PolarHBondContact O-N 2.81Å; Y9-N13 PolarHBondContact O-ND2 3.44Å; L10-N13 PolarHBondContact O-N 2.88Å; L10-N13 VanDerWaalsContact O-N 3.17Å; T11-N13 PolarHBondContact O-N 3.26Å; N13-I15 HydrophobicContact CB-CD1 3.51Å; N13-I15 HydrophobicContact CB-CG1 3.67Å; N13-K169 PolarHBondContact O-NZ 2.87Å
14N90Very high82.4Confident118 Ų11853.8 Ų53.863%0.63127%0.268SS*.THydrogen-bonded Turntrans5162.2-171.1-170.931.6000112.3L10 T11L10-N14 PolarHBondContact O-N 3.38Å; L10-N14 VanDerWaalsContact O-N 3.14Å; T11-N14 PolarHBondContact O-N 3.03Å
15I85.3Confident83.7Confident17 Ų1745.1 Ų45.19%0.08723%0.227CC..  trans-121128.5-179.3-52.3177.3000107.9Y9 L10 N13 I162 K169 S171Y9-I15 HydrophobicContact CE1-CD1 4.12Å; L10-I15 HydrophobicContact CB-CB 4.49Å; L10-I15 HydrophobicContact CD2-CB 4Å; L10-I15 HydrophobicContact CD2-CD1 4.35Å; L10-I15 HydrophobicContact CD2-CG2 3.95Å; L10-I15 PolarHBondContact O-N 3.06Å; L10-I15 VanDerWaalsContact O-N 3.1Å; N13-I15 HydrophobicContact CB-CD1 3.51Å; N13-I15 HydrophobicContact CB-CG1 3.67Å; I15-I162 HydrophobicContact CD1-CD1 4.14Å; I15-I162 HydrophobicContact CD1-CG2 4.21Å; I15-I162 HydrophobicContact CG2-CG2 4.02Å; I15-K169 HydrophobicContact CB-CB 4.31Å; I15-K169 HydrophobicContact CG1-CB 4.12Å; I15-K169 HydrophobicContact CG1-CD 3.82Å; I15-K169 HydrophobicContact CG2-CB 4.16Å; I15-S171 VanDerWaalsContact CG2-CB 3.49Å
16L87.2Confident84.8Confident45 Ų4545.8 Ų45.824%0.23624%0.235CC..BIsolated β-bridgetrans-62.8139.3173.8-66.7-172.8000110.1A20 S21 Y24 Q168 K169 V170 S171L16-A20 HydrophobicContact CB-CB 4.06Å; L16-A20 HydrophobicContact CD1-CB 4.4Å; L16-A20 HydrophobicContact CD2-CB 4.13Å; L16-A20 HydrophobicContact CG-CB 4.42Å; L16-S21 VanDerWaalsContact CB-OG 3.25Å; L16-S21 WeakPolarHBondContact CB-OG 3.48Å; L16-S21 PolarHBondContact O-OG 3.23Å; L16-Y24 HydrophobicContact CD1-CD1 4.21Å; L16-Y24 HydrophobicContact CD1-CG 4.01Å; L16-Q168 HydrophobicContact CD1-CG 3.67Å; L16-Q168 HydrophobicContact CG-CG 3.93Å; L16-K169 PolarHBondContact N-O 3.06Å; L16-V170 HydrophobicContact CD1-CG1 4.43Å; L16-S171 WeakPolarHBondContact O-CB 3.5Å; L16-S171 PolarHBondContact O-N 3.01Å; L16-S171 VanDerWaalsContact O-N 3.09Å; L16-S171 PolarHBondContact O-OG 3.39Å
17D85Confident85.3Confident34 Ų3447.5 Ų47.518%0.18224%0.239CC..  trans-67.6168.2172.972.686.4000112.2W5 L10 W19 A20 S21 S171W5-D17 HydrophobicContact CB-CB 3.58Å; W5-D17 HydrophobicContact CD2-CB 4.35Å; W5-D17 HydrophobicContact CG-CB 3.64Å; L10-D17 HydrophobicContact CD1-CB 4.27Å; D17-W19 VanDerWaalsContact C-N 3.31Å; D17-W19 PolarHBondContact O-N 2.76Å; D17-W19 WeakPolarHBondContact OD1-CA 3.37Å; D17-W19 WeakPolarHBondContact OD1-CB 3.34Å; D17-W19 PolarHBondContact OD1-N 2.86Å; D17-A20 PolarHBondContact O-N 3.04Å; D17-A20 PolarHBondContact OD1-N 3.36Å; D17-A20 WeakPolarHBondContact OD2-CB 3.38Å; D17-S21 WeakPolarHBondContact O-CB 3.12Å; D17-S21 PolarHBondContact O-N 3.45Å; D17-S21 PolarHBondContact O-OG 3.41Å; D17-S171 CarbonylContact C-O 3.54Å
18P80Confident85.8Confident0 Ų050.4 Ų50.40%026%0.255CS..Hα-helixtrans-46.7-45175.2-34.339.8000115.5W5 V22 S171 T198W5-P18 HydrophobicContact CD2-CG 4.18Å; W5-P18 HydrophobicContact CE3-CG 4.29Å; W5-P18 HydrophobicContact CH2-CG 3.85Å; W5-P18 HydrophobicContact CZ2-CB 4.08Å; W5-P18 HydrophobicContact CZ2-CG 3.62Å; W5-P18 HydrophobicContact CZ3-CG 4.15Å; P18-V22 VanDerWaalsContact O-CB 3.31Å; P18-V22 WeakPolarHBondContact O-CB 3.35Å; P18-V22 WeakPolarHBondContact O-CG2 3.41Å; P18-V22 PolarHBondContact O-N 2.8Å; P18-S171 WeakPolarHBondContact CA-O 3.24Å; P18-T198 VanDerWaalsContact CB-O 3.23Å; P18-T198 WeakPolarHBondContact CB-O 3.44Å
19W76.5Confident85.8Confident48 Ų4848.1 Ų48.118%0.18225%0.245CC..Hα-helixtrans-78-41.7-178-62.5137000112.7W5 D17 S21 V22 N23 T198 Q216W5-W19 AromaticContact NE1-CD1 3.6Å; W5-W19 AromaticContact NE1-NE1 3.94Å; D17-W19 VanDerWaalsContact C-N 3.31Å; D17-W19 PolarHBondContact O-N 2.76Å; D17-W19 WeakPolarHBondContact OD1-CA 3.37Å; D17-W19 WeakPolarHBondContact OD1-CB 3.34Å; D17-W19 PolarHBondContact OD1-N 2.86Å; W19-S21 VanDerWaalsContact C-N 3.29Å; W19-S21 PolarHBondContact O-N 2.78Å; W19-V22 PolarHBondContact O-N 3.42Å; W19-N23 PolarHBondContact O-N 2.99Å; W19-N23 VanDerWaalsContact O-N 3.09Å; W19-N23 PolarHBondContact O-ND2 2.8Å; W19-T198 WeakPolarHBondContact CH2-OG1 3.49Å; W19-T198 WeakPolarHBondContact CZ2-OG1 3.33Å; W19-Q216 HydrophobicContact CH2-CG 4.49Å; W19-Q216 HydrophobicContact CZ3-CG 4.02Å
20A85.4Confident85.7Confident32 Ų3253.3 Ų53.326%0.26427%0.27SS..Hα-helixtrans-62.3-39.4173.100000111.5L16 D17 Y24L16-A20 HydrophobicContact CB-CB 4.06Å; L16-A20 HydrophobicContact CD1-CB 4.4Å; L16-A20 HydrophobicContact CD2-CB 4.13Å; L16-A20 HydrophobicContact CG-CB 4.42Å; D17-A20 PolarHBondContact O-N 3.04Å; D17-A20 PolarHBondContact OD1-N 3.36Å; D17-A20 WeakPolarHBondContact OD2-CB 3.38Å; A20-Y24 WeakPolarHBondContact O-CB 3.37Å; A20-Y24 PolarHBondContact O-N 2.77Å
21S85.4Confident85.4Confident0 Ų060.4 Ų60.40%031%0.308CS..Hα-helixtrans-64.8-51175-590000111.7L16 D17 W19 N23 Y24 I25 V170 S171L16-S21 VanDerWaalsContact CB-OG 3.25Å; L16-S21 WeakPolarHBondContact CB-OG 3.48Å; L16-S21 PolarHBondContact O-OG 3.23Å; D17-S21 WeakPolarHBondContact O-CB 3.12Å; D17-S21 PolarHBondContact O-N 3.45Å; D17-S21 PolarHBondContact O-OG 3.41Å; W19-S21 VanDerWaalsContact C-N 3.29Å; W19-S21 PolarHBondContact O-N 2.78Å; S21-N23 VanDerWaalsContact C-N 3.29Å; S21-N23 PolarHBondContact O-N 3.46Å; S21-Y24 PolarHBondContact O-N 2.91Å; S21-I25 WeakPolarHBondContact O-CD1 3.39Å; S21-I25 PolarHBondContact O-N 3.09Å; S21-V170 WeakPolarHBondContact OG-CA 2.92Å; S21-S171 WeakPolarHBondContact CB-O 3.39Å; S21-S171 PolarHBondContact OG-N 2.78Å; S21-S171 PolarHBondContact OG-O 3.46Å
22V83.1Confident85.2Confident0 Ų057.1 Ų57.10%029%0.288CS..Hα-helixtrans-54.3-45.2178.7163.70000111.5P18 W19 A26 F172 A209 C212 K213P18-V22 VanDerWaalsContact O-CB 3.31Å; P18-V22 WeakPolarHBondContact O-CB 3.35Å; P18-V22 WeakPolarHBondContact O-CG2 3.41Å; P18-V22 PolarHBondContact O-N 2.8Å; W19-V22 PolarHBondContact O-N 3.42Å; V22-A26 WeakPolarHBondContact O-CB 3.4Å; V22-A26 PolarHBondContact O-N 2.97Å; V22-F172 HydrophobicContact CG2-CD1 4.46Å; V22-F172 HydrophobicContact CG2-CE1 3.91Å; V22-A209 HydrophobicContact CG2-CB 4.35Å; V22-C212 HydrophobicContact CG1-CB 4Å; V22-C212 HydrophobicContact CG2-CB 3.76Å; V22-K213 HydrophobicContact CG1-CB 4.19Å
23N86.2Confident84.9Confident50 Ų5057.2 Ų57.227%0.26729%0.292SS..Hα-helixtrans-69.2-49.9177-68.9-53.6000112W19 S21 I25 A26 E27 K213W19-N23 PolarHBondContact O-N 2.99Å; W19-N23 VanDerWaalsContact O-N 3.09Å; W19-N23 PolarHBondContact O-ND2 2.8Å; S21-N23 VanDerWaalsContact C-N 3.29Å; S21-N23 PolarHBondContact O-N 3.46Å; N23-I25 VanDerWaalsContact C-N 3.31Å; N23-I25 PolarHBondContact O-N 3.05Å; N23-A26 PolarHBondContact O-N 2.87Å; N23-A26 VanDerWaalsContact O-N 3.11Å; N23-E27 WeakPolarHBondContact O-CG 3.44Å; N23-E27 PolarHBondContact O-N 3.42Å; N23-K213 PolarHBondContact OD1-NZ 2.62Å
24Y89.3Confident84.9Confident66 Ų6656.8 Ų56.826%0.25929%0.29SS..Hα-helixtrans-54.8-44.1-178.7175.5-105.5000112.3L16 A20 S21 N28 Y165 Q168 V170L16-Y24 HydrophobicContact CD1-CD1 4.21Å; L16-Y24 HydrophobicContact CD1-CG 4.01Å; A20-Y24 WeakPolarHBondContact O-CB 3.37Å; A20-Y24 PolarHBondContact O-N 2.77Å; S21-Y24 PolarHBondContact O-N 2.91Å; Y24-N28 WeakPolarHBondContact O-CB 3.09Å; Y24-N28 PolarHBondContact O-N 3.04Å; Y24-N28 PolarHBondContact O-ND2 2.85Å; Y24-Y165 HydrophobicContact CE1-CD1 4.09Å; Y24-Q168 HydrophobicContact CD1-CB 4.33Å; Y24-Q168 HydrophobicContact CD1-CG 4.25Å; Y24-Q168 HydrophobicContact CE1-CB 3.55Å; Y24-Q168 HydrophobicContact CE1-CG 3.93Å; Y24-V170 HydrophobicContact CD1-CG1 4.1Å
25I85.8Confident84.8Confident0 Ų056.3 Ų56.30%028%0.283CS..Hα-helixtrans-75.8-41175.1-62.3104.8000112.2S21 N23 E27 N28 A29 Y165 V170 F172 V205 E206 A209S21-I25 WeakPolarHBondContact O-CD1 3.39Å; S21-I25 PolarHBondContact O-N 3.09Å; N23-I25 VanDerWaalsContact C-N 3.31Å; N23-I25 PolarHBondContact O-N 3.05Å; I25-E27 PolarHBondContact O-N 2.87Å; I25-E27 VanDerWaalsContact O-N 3.07Å; I25-N28 CarbonylContact O-C 3.59Å; I25-N28 PolarHBondContact O-N 3.38Å; I25-A29 HydrophobicContact CG2-CB 4.3Å; I25-A29 WeakPolarHBondContact O-CB 3.38Å; I25-A29 PolarHBondContact O-N 2.79Å; I25-Y165 HydrophobicContact CB-CD1 4.45Å; I25-Y165 HydrophobicContact CB-CE1 4.24Å; I25-Y165 HydrophobicContact CD1-CD1 4.42Å; I25-Y165 HydrophobicContact CG1-CD1 3.41Å; I25-Y165 VanDerWaalsContact CG1-CD1 3.41Å; I25-Y165 HydrophobicContact CG1-CD2 4.35Å; I25-Y165 HydrophobicContact CG1-CE1 3.66Å; I25-Y165 HydrophobicContact CG1-CG 3.79Å; I25-Y165 HydrophobicContact CG2-CD1 4.49Å; I25-Y165 HydrophobicContact CG2-CE1 3.97Å; I25-Y165 HydrophobicContact CG2-CE2 4.19Å; I25-V170 HydrophobicContact CD1-CB 3.97Å; I25-V170 HydrophobicContact CD1-CG1 3.65Å; I25-V170 HydrophobicContact CD1-CG2 4.23Å; I25-F172 HydrophobicContact CD1-CE2 4.06Å; I25-F172 HydrophobicContact CD1-CZ 3.71Å; I25-V205 HydrophobicContact CB-CG1 4.02Å; I25-V205 HydrophobicContact CD1-CG1 3.93Å; I25-V205 HydrophobicContact CG1-CG1 3.59Å; I25-V205 HydrophobicContact CG2-CG1 3.56Å; I25-E206 HydrophobicContact CG2-CG 3.88Å; I25-A209 HydrophobicContact CB-CB 4.27Å; I25-A209 HydrophobicContact CG2-CB 4.49Å
26A86.1Confident84.9Confident25 Ų2562.9 Ų62.921%0.20731%0.311CS..Hα-helixtrans-59.4-24.8179.400000113.3V22 N23 K213V22-A26 WeakPolarHBondContact O-CB 3.4Å; V22-A26 PolarHBondContact O-N 2.97Å; N23-A26 PolarHBondContact O-N 2.87Å; N23-A26 VanDerWaalsContact O-N 3.11Å; A26-K213 HydrophobicContact CB-CB 4.21Å; A26-K213 HydrophobicContact CB-CG 4.03Å
27E87.9Confident85.1Confident156 Ų15667.3 Ų67.373%0.72933%0.331SS*.Hα-helixtrans-83.3-24.9172-69.4174.2-179.300114N23 I25N23-E27 WeakPolarHBondContact O-CG 3.44Å; N23-E27 PolarHBondContact O-N 3.42Å; I25-E27 PolarHBondContact O-N 2.87Å; I25-E27 VanDerWaalsContact O-N 3.07Å
28N90Very high85.3Confident60 Ų6070.8 Ų70.832%0.32134%0.344SS..Hα-helixtrans-108.3-3.9-175.4-75.9-92.3000114.3Y24 I25 Y165 K166Y24-N28 WeakPolarHBondContact O-CB 3.09Å; Y24-N28 PolarHBondContact O-N 3.04Å; Y24-N28 PolarHBondContact O-ND2 2.85Å; I25-N28 CarbonylContact O-C 3.59Å; I25-N28 PolarHBondContact O-N 3.38Å; N28-Y165 HydrophobicContact CB-CE1 4.14Å; N28-Y165 PolarHBondContact O-OH 2.66Å; N28-K166 HydrophobicContact CB-CD 4.32Å; N28-K166 PolarHBondContact O-NZ 2.73Å
29A86Confident85.8Confident16 Ų1671.6 Ų71.613%0.13235%0.348CS..  trans-64.4134.8-17400000113.1I25 V32 E206I25-A29 HydrophobicContact CG2-CB 4.3Å; I25-A29 WeakPolarHBondContact O-CB 3.38Å; I25-A29 PolarHBondContact O-N 2.79Å; A29-V32 WeakPolarHBondContact CB-O 3.37Å; A29-E206 WeakPolarHBondContact CA-OE1 3.39Å; A29-E206 HydrophobicContact CB-CB 4.49Å; A29-E206 HydrophobicContact CB-CG 4.14Å; A29-E206 WeakPolarHBondContact CB-OE2 3.42Å
30E83.8Confident86.5Confident130 Ų13073.2 Ų73.261%0.60736%0.358SS*.SBendtrans-107.2-40.1-178.5-77.3178.7-130.900112.6K33 K166 E206E30-K33 WeakPolarHBondContact O-CE 3.42Å; E30-K33 PolarHBondContact O-NZ 3.46Å; E30-K166 WeakPolarHBondContact OE1-CE 3.13Å; E30-K166 IonicContact OE1-NZ 3.47Å; E30-K166 PolarHBondContact OE1-NZ 2.72Å; E30-E206 PolarHBondContact N-OE1 2.91Å; E30-E206 PolarHBondContact N-OE2 2.79Å
31D79.5Confident86.8Confident152 Ų15275.2 Ų75.281%0.81336%0.362SS*.SBendtrans-88.1-34.1-175-69.4-41.1000112.2E206D31-E206 PolarHBondContact N-OE2 3.36Å
32V81.4Confident87Confident36 Ų3676.9 Ų76.922%0.21838%0.376CS..  trans-118.4130.8-176.4-164.70000111.6A29 E206 M207 V210A29-V32 WeakPolarHBondContact CB-O 3.37Å; V32-E206 HydrophobicContact CB-CB 3.84Å; V32-E206 HydrophobicContact CG2-CB 3.55Å; V32-E206 PolarHBondContact N-OE2 3.32Å; V32-E206 VanDerWaalsContact N-OE2 3.11Å; V32-M207 HydrophobicContact CG2-CG 3.83Å; V32-V210 HydrophobicContact CB-CG2 4.19Å; V32-V210 HydrophobicContact CG1-CB 3.99Å; V32-V210 HydrophobicContact CG1-CG1 4.04Å; V32-V210 HydrophobicContact CG1-CG2 3.99Å
33K82.6Confident87.4Confident157 Ų15776.9 Ų76.968%0.68338%0.376SS*.  trans-134.7144.7-172.3-64.2178-176.7158.70113.2E30 H35E30-K33 WeakPolarHBondContact O-CE 3.42Å; E30-K33 PolarHBondContact O-NZ 3.46Å; K33-H35 PolarHBondContact O-N 2.87Å
34L86.1Confident87.7Confident50 Ų5079 Ų7926%0.26238%0.382SS..  trans-75.8111.1-179.2-71.1160.4000112K36 L39 V210 K213 C214 L217L34-K36 PolarHBondContact O-N 3.38Å; L34-L39 HydrophobicContact CB-CD1 4.49Å; L34-L39 HydrophobicContact CD2-CD1 3.9Å; L34-V210 HydrophobicContact CD2-CG1 3.71Å; L34-V210 HydrophobicContact CG-CG1 4.02Å; L34-K213 HydrophobicContact CD1-CB 4.42Å; L34-K213 HydrophobicContact CD1-CG 3.8Å; L34-K213 HydrophobicContact CD2-CB 4.29Å; L34-K213 HydrophobicContact CD2-CG 4.37Å; L34-C214 VanDerWaalsContact CD2-SG 3.58Å; L34-L217 HydrophobicContact CD1-CD1 4.12Å; L34-L217 HydrophobicContact CD2-CD1 4.24Å
35H88.1Confident87.7Confident108 Ų10881.5 Ų81.550%0.540%0.395SS..  trans-81.781.1173.5-166.8-28.7000111K33 E37 K38 L39K33-H35 PolarHBondContact O-N 2.87Å; H35-E37 VanDerWaalsContact C-N 3.34Å; H35-E37 IonicContact CE1-OE2 3.93Å; H35-E37 PolarHBondContact CE1-OE2 2.92Å; H35-E37 PolarHBondContact O-N 3.49Å; H35-E37 VanDerWaalsContact O-N 3.14Å; H35-K38 HydrophobicContact CB-CB 4.33Å; H35-K38 HydrophobicContact CB-CG 4.43Å; H35-K38 PolarHBondContact O-N 2.95Å; H35-L39 PolarHBondContact O-N 3.34Å
36K88.4Confident87.8Confident155 Ų15582.1 Ų82.167%0.67440%0.398SS*.Hα-helixtrans-44.5-49.8-172-64.6-173.1178.5-175.70114.8L34 K38 L39 E40L34-K36 PolarHBondContact O-N 3.38Å; K36-K38 PolarHBondContact O-N 2.93Å; K36-L39 WeakPolarHBondContact O-CA 3.28Å; K36-L39 WeakPolarHBondContact O-CB 3.37Å; K36-L39 PolarHBondContact O-N 3.1Å; K36-E40 PolarHBondContact O-N 3.13Å
37E89.8Confident88.1Confident139 Ų13981.3 Ų81.365%0.6539%0.39SS*.Hα-helixtrans-55.4-35.8178.7-58.3174170.700113.6H35 E40 E41H35-E37 VanDerWaalsContact C-N 3.34Å; H35-E37 IonicContact CE1-OE2 3.93Å; H35-E37 PolarHBondContact CE1-OE2 2.92Å; H35-E37 PolarHBondContact O-N 3.49Å; H35-E37 VanDerWaalsContact O-N 3.14Å; E37-E40 PolarHBondContact O-N 2.83Å; E37-E41 WeakPolarHBondContact O-CB 3.33Å; E37-E41 PolarHBondContact O-N 2.91Å
38K90.5Very high88.1Confident106 Ų10677.8 Ų77.846%0.46138%0.379SS..Hα-helixtrans-78.5-26.3178.7-66.4-70.6164.6-1690112.5H35 K36 E41 A42H35-K38 HydrophobicContact CB-CB 4.33Å; H35-K38 HydrophobicContact CB-CG 4.43Å; H35-K38 PolarHBondContact O-N 2.95Å; K36-K38 PolarHBondContact O-N 2.93Å; K38-E41 WeakPolarHBondContact CD-OE2 3.42Å; K38-E41 IonicContact NZ-OE2 2.7Å; K38-E41 PolarHBondContact NZ-OE2 3.48Å; K38-A42 WeakPolarHBondContact O-CB 3.26Å; K38-A42 PolarHBondContact O-N 3.43Å
39L89.5Confident87.9Confident17 Ų1778.3 Ų78.39%0.08938%0.379CS..Hα-helixtrans-68.4-42.7169.6-53.3-179.7000110.5L34 H35 K36 A42 A43 C214 L217 I218L34-L39 HydrophobicContact CB-CD1 4.49Å; L34-L39 HydrophobicContact CD2-CD1 3.9Å; H35-L39 PolarHBondContact O-N 3.34Å; K36-L39 WeakPolarHBondContact O-CA 3.28Å; K36-L39 WeakPolarHBondContact O-CB 3.37Å; K36-L39 PolarHBondContact O-N 3.1Å; L39-A42 PolarHBondContact O-N 3.4Å; L39-A43 VanDerWaalsContact O-CB 3.25Å; L39-A43 WeakPolarHBondContact O-CB 3.47Å; L39-A43 PolarHBondContact O-N 3.17Å; L39-C214 HydrophobicContact CD2-CB 3.69Å; L39-C214 VanDerWaalsContact CD2-SG 3.51Å; L39-L217 HydrophobicContact CD1-CB 4.29Å; L39-L217 HydrophobicContact CD1-CD1 3.8Å; L39-I218 HydrophobicContact CB-CG1 4.34Å; L39-I218 HydrophobicContact CD2-CD1 4.26Å
40E91.7Very high87.9Confident82 Ų8277.7 Ų77.738%0.38337%0.373SS..Hα-helixtrans-62.4-43.3171.8-72.9-174.5-136.500112.5K36 E37 A42 A43 K44 I221K36-E40 PolarHBondContact O-N 3.13Å; E37-E40 PolarHBondContact O-N 2.83Å; E40-A42 VanDerWaalsContact C-N 3.33Å; E40-A42 PolarHBondContact O-N 2.97Å; E40-A43 PolarHBondContact O-N 3.27Å; E40-K44 WeakPolarHBondContact O-CB 3.39Å; E40-K44 WeakPolarHBondContact O-CD 3.46Å; E40-K44 WeakPolarHBondContact O-CG 3.21Å; E40-K44 PolarHBondContact O-N 3.19Å; E40-K44 IonicContact OE2-NZ 2.72Å; E40-K44 PolarHBondContact OE2-NZ 3.24Å; E40-I221 HydrophobicContact CG-CD1 4.2Å
41E91.3Very high88Confident75 Ų7575 Ų7535%0.3536%0.363SS..Hα-helixtrans-61.9-40.6177.1-163.9-163.1129.100111.8E37 K38 K45E37-E41 WeakPolarHBondContact O-CB 3.33Å; E37-E41 PolarHBondContact O-N 2.91Å; K38-E41 WeakPolarHBondContact CD-OE2 3.42Å; K38-E41 IonicContact NZ-OE2 2.7Å; K38-E41 PolarHBondContact NZ-OE2 3.48Å; E41-K45 WeakPolarHBondContact O-CD 3.36Å; E41-K45 VanDerWaalsContact O-CG 3.3Å; E41-K45 WeakPolarHBondContact O-CG 3.13Å; E41-K45 PolarHBondContact O-N 3.39Å; E41-K45 WeakPolarHBondContact OE1-CE 3.33Å; E41-K45 IonicContact OE1-NZ 2.64Å; E41-K45 PolarHBondContact OE1-NZ 2.73Å
42A89.5Confident88.2Confident34 Ų3474 Ų7428%0.28136%0.357SS..Hα-helixtrans-68-47.5175.300000111.9K38 L39 E40 K44 K45 I46 I218K38-A42 WeakPolarHBondContact O-CB 3.26Å; K38-A42 PolarHBondContact O-N 3.43Å; L39-A42 PolarHBondContact O-N 3.4Å; E40-A42 VanDerWaalsContact C-N 3.33Å; E40-A42 PolarHBondContact O-N 2.97Å; A42-K44 PolarHBondContact O-N 2.78Å; A42-K45 WeakPolarHBondContact O-CB 3.25Å; A42-K45 PolarHBondContact O-N 3.28Å; A42-I46 WeakPolarHBondContact O-CG1 3.41Å; A42-I46 PolarHBondContact O-N 3.49Å; A42-I218 HydrophobicContact CB-CD1 4.05Å
43A92.3Very high88Confident0 Ų073 Ų730%035%0.354CS..Hα-helixtrans-58.2-48.9177.700000111.5L39 E40 K45 I46 T47 I218 I221 V222L39-A43 VanDerWaalsContact O-CB 3.25Å; L39-A43 WeakPolarHBondContact O-CB 3.47Å; L39-A43 PolarHBondContact O-N 3.17Å; E40-A43 PolarHBondContact O-N 3.27Å; A43-K45 VanDerWaalsContact C-N 3.29Å; A43-K45 PolarHBondContact O-N 3.48Å; A43-I46 CarbonylContact O-C 3.47Å; A43-I46 WeakPolarHBondContact O-CA 3.17Å; A43-I46 PolarHBondContact O-N 2.72Å; A43-T47 PolarHBondContact O-N 2.95Å; A43-T47 PolarHBondContact O-OG1 3.17Å; A43-I218 HydrophobicContact CB-CG2 4.24Å; A43-I221 HydrophobicContact CB-CB 3.83Å; A43-I221 HydrophobicContact CB-CG2 3.5Å; A43-I221 VanDerWaalsContact CB-CG2 3.5Å; A43-V222 HydrophobicContact CB-CG2 3.88Å
44K91.7Very high87.5Confident94 Ų9466.6 Ų66.641%0.40933%0.331SS..Hα-helixtrans-56.9-40.1177.4-71.3161.6-168.5164.80111.9E40 A42 V48E40-K44 WeakPolarHBondContact O-CB 3.39Å; E40-K44 WeakPolarHBondContact O-CD 3.46Å; E40-K44 WeakPolarHBondContact O-CG 3.21Å; E40-K44 PolarHBondContact O-N 3.19Å; E40-K44 IonicContact OE2-NZ 2.72Å; E40-K44 PolarHBondContact OE2-NZ 3.24Å; A42-K44 PolarHBondContact O-N 2.78Å; K44-V48 VanDerWaalsContact O-CG2 3.29Å; K44-V48 WeakPolarHBondContact O-CG2 3.14Å; K44-V48 PolarHBondContact O-N 3.37Å; K44-V48 VanDerWaalsContact O-N 3.1Å
45K89.6Confident86.6Confident119 Ų11965.7 Ų65.752%0.51733%0.326SS..Hα-helixtrans-65.5-36.2174.1-71.8165.9-179.8172.20112.9E41 A42 A43 K49E41-K45 WeakPolarHBondContact O-CD 3.36Å; E41-K45 VanDerWaalsContact O-CG 3.3Å; E41-K45 WeakPolarHBondContact O-CG 3.13Å; E41-K45 PolarHBondContact O-N 3.39Å; E41-K45 WeakPolarHBondContact OE1-CE 3.33Å; E41-K45 IonicContact OE1-NZ 2.64Å; E41-K45 PolarHBondContact OE1-NZ 2.73Å; A42-K45 WeakPolarHBondContact O-CB 3.25Å; A42-K45 PolarHBondContact O-N 3.28Å; A43-K45 VanDerWaalsContact C-N 3.29Å; A43-K45 PolarHBondContact O-N 3.48Å; K45-K49 WeakPolarHBondContact O-CG 3.34Å; K45-K49 PolarHBondContact O-N 3.12Å
46I89Confident85.3Confident13 Ų1367.5 Ų67.57%0.06733%0.332CS..Hα-helixtrans-75.1-44.8178.9-65.9165.3000110.8A42 A43 V48 K49 I50 I218 V222 I240 F243A42-I46 WeakPolarHBondContact O-CG1 3.41Å; A42-I46 PolarHBondContact O-N 3.49Å; A43-I46 CarbonylContact O-C 3.47Å; A43-I46 WeakPolarHBondContact O-CA 3.17Å; A43-I46 PolarHBondContact O-N 2.72Å; I46-V48 VanDerWaalsContact C-N 3.3Å; I46-V48 PolarHBondContact O-N 3.44Å; I46-K49 WeakPolarHBondContact O-CA 3.49Å; I46-K49 WeakPolarHBondContact O-CB 3.19Å; I46-K49 PolarHBondContact O-N 3.23Å; I46-I50 HydrophobicContact CG2-CD1 3.76Å; I46-I50 HydrophobicContact CG2-CG1 4.37Å; I46-I50 WeakPolarHBondContact O-CG1 3.33Å; I46-I50 PolarHBondContact O-N 3.35Å; I46-I218 HydrophobicContact CD1-CG2 3.85Å; I46-V222 HydrophobicContact CB-CG2 4.13Å; I46-V222 HydrophobicContact CG2-CG2 4.09Å; I46-I240 HydrophobicContact CD1-CG2 4.24Å; I46-I240 HydrophobicContact CG2-CD1 3.78Å; I46-F243 HydrophobicContact CG2-CD2 3.98Å; I46-F243 HydrophobicContact CG2-CG 4.34Å
47T90.7Very high83.4Confident8 Ų865.7 Ų65.75%0.04933%0.334CS..Hα-helixtrans-54.8-45.3173-55.10000111.4A43 K49 I50 I51 E225 L226A43-T47 PolarHBondContact O-N 2.95Å; A43-T47 PolarHBondContact O-OG1 3.17Å; T47-K49 VanDerWaalsContact C-N 3.33Å; T47-K49 PolarHBondContact O-N 3.22Å; T47-I50 PolarHBondContact O-N 2.84Å; T47-I50 VanDerWaalsContact O-N 3.13Å; T47-I51 HydrophobicContact CG2-CD1 3.78Å; T47-I51 HydrophobicContact CG2-CG1 4.36Å; T47-I51 WeakPolarHBondContact O-CG1 3.35Å; T47-I51 PolarHBondContact O-N 2.83Å; T47-E225 HydrophobicContact CG2-CB 3.82Å; T47-L226 HydrophobicContact CG2-CD2 3.97Å; T47-L226 HydrophobicContact CG2-CG 4.19Å
48V89.7Confident81.2Confident83 Ų8360.7 Ų60.750%0.50332%0.316SS..Hα-helixtrans-62.5-36.6176.1169.80000112.2K44 I46 N52K44-V48 VanDerWaalsContact O-CG2 3.29Å; K44-V48 WeakPolarHBondContact O-CG2 3.14Å; K44-V48 PolarHBondContact O-N 3.37Å; K44-V48 VanDerWaalsContact O-N 3.1Å; I46-V48 VanDerWaalsContact C-N 3.3Å; I46-V48 PolarHBondContact O-N 3.44Å; V48-N52 WeakPolarHBondContact O-CB 3.29Å; V48-N52 PolarHBondContact O-N 3.44Å; V48-N52 PolarHBondContact O-ND2 3.19Å
49K85.5Confident78.7Confident70 Ų7063.9 Ų63.930%0.30433%0.331SS..Hα-helixtrans-64.6-43.4171.7-74.2175.2176.4179.70111.7K45 I46 T47 N52 G53 A54 D247K45-K49 WeakPolarHBondContact O-CG 3.34Å; K45-K49 PolarHBondContact O-N 3.12Å; I46-K49 WeakPolarHBondContact O-CA 3.49Å; I46-K49 WeakPolarHBondContact O-CB 3.19Å; I46-K49 PolarHBondContact O-N 3.23Å; T47-K49 VanDerWaalsContact C-N 3.33Å; T47-K49 PolarHBondContact O-N 3.22Å; K49-N52 CarbonylContact O-C 3.02Å; K49-N52 PolarHBondContact O-N 3.11Å; K49-G53 PolarHBondContact O-N 3.08Å; K49-A54 HydrophobicContact CB-CB 4.09Å; K49-A54 WeakPolarHBondContact O-CB 3.42Å; K49-A54 PolarHBondContact O-N 3.47Å; K49-D247 IonicContact NZ-OD1 2.93Å; K49-D247 PolarHBondContact NZ-OD1 3.12Å
50I85.1Confident76.2Confident4 Ų468.9 Ų68.92%0.02136%0.362CS..Hα-helixtrans-63.9-49.2-178-68.3164000111.3I46 T47 N52 G53 L55 V222 L226 V235 F243I46-I50 HydrophobicContact CG2-CD1 3.76Å; I46-I50 HydrophobicContact CG2-CG1 4.37Å; I46-I50 WeakPolarHBondContact O-CG1 3.33Å; I46-I50 PolarHBondContact O-N 3.35Å; T47-I50 PolarHBondContact O-N 2.84Å; T47-I50 VanDerWaalsContact O-N 3.13Å; I50-N52 VanDerWaalsContact C-N 3.28Å; I50-N52 PolarHBondContact O-N 2.79Å; I50-G53 WeakPolarHBondContact O-CA 3.04Å; I50-G53 PolarHBondContact O-N 2.87Å; I50-L55 HydrophobicContact CG1-CD1 4.18Å; I50-L55 HydrophobicContact CG1-CG 4.22Å; I50-L55 HydrophobicContact CG2-CD1 3.74Å; I50-L55 HydrophobicContact CG2-CG 4.34Å; I50-V222 HydrophobicContact CD1-CG1 3.57Å; I50-L226 HydrophobicContact CB-CD2 4.24Å; I50-L226 HydrophobicContact CD1-CD1 4.28Å; I50-L226 HydrophobicContact CG2-CD1 4.12Å; I50-L226 HydrophobicContact CG2-CD2 3.67Å; I50-V235 HydrophobicContact CD1-CG1 3.93Å; I50-F243 HydrophobicContact CD1-CE2 3.93Å; I50-F243 HydrophobicContact CG1-CD2 4.44Å; I50-F243 HydrophobicContact CG1-CE2 3.53Å; I50-F243 HydrophobicContact CG1-CZ 3.78Å
51I86Confident73.8Confident74 Ų7471 Ų7138%0.37937%0.366SS..Hα-helixtrans-59.4-39.8176.7-67.2170.1000110.8T47 G53 L226 A229 E231T47-I51 HydrophobicContact CG2-CD1 3.78Å; T47-I51 HydrophobicContact CG2-CG1 4.36Å; T47-I51 WeakPolarHBondContact O-CG1 3.35Å; T47-I51 PolarHBondContact O-N 2.83Å; I51-G53 PolarHBondContact O-N 3.38Å; I51-L226 HydrophobicContact CG1-CD2 4.02Å; I51-A229 HydrophobicContact CD1-CB 3.83Å; I51-E231 HydrophobicContact CG1-CG 4.06Å
52N84.2Confident71.4Confident130 Ų13072.3 Ų72.370%0.69538%0.381SS*.THydrogen-bonded Turntrans-71.315.9172.1-72.2-49.7000114V48 K49 I50V48-N52 WeakPolarHBondContact O-CB 3.29Å; V48-N52 PolarHBondContact O-N 3.44Å; V48-N52 PolarHBondContact O-ND2 3.19Å; K49-N52 CarbonylContact O-C 3.02Å; K49-N52 PolarHBondContact O-N 3.11Å; I50-N52 VanDerWaalsContact C-N 3.28Å; I50-N52 PolarHBondContact O-N 2.79Å
53G77.2Confident68.9Low16 Ų1674.1 Ų74.117%0.16539%0.392CS..THydrogen-bonded Turntrans84.29.8170.600000115.4K49 I50 I51 L55 K56 T57K49-G53 PolarHBondContact O-N 3.08Å; I50-G53 WeakPolarHBondContact O-CA 3.04Å; I50-G53 PolarHBondContact O-N 2.87Å; I51-G53 PolarHBondContact O-N 3.38Å; G53-L55 VanDerWaalsContact C-N 3.26Å; G53-L55 PolarHBondContact O-N 2.9Å; G53-L55 VanDerWaalsContact O-N 3.16Å; G53-K56 WeakPolarHBondContact O-CA 3.25Å; G53-K56 WeakPolarHBondContact O-CB 3.33Å; G53-K56 PolarHBondContact O-N 3.41Å; G53-T57 PolarHBondContact O-N 3.03Å
54A72Confident66.5Low22 Ų2275.2 Ų75.218%0.18240%0.403CS..Hα-helixtrans-63.7-25.1-171.200000114.5K49 K56 T57 A58 F243K49-A54 HydrophobicContact CB-CB 4.09Å; K49-A54 WeakPolarHBondContact O-CB 3.42Å; K49-A54 PolarHBondContact O-N 3.47Å; A54-K56 VanDerWaalsContact C-N 3.33Å; A54-T57 PolarHBondContact O-N 3.24Å; A54-T57 PolarHBondContact O-OG1 2.91Å; A54-T57 VanDerWaalsContact O-OG1 3.06Å; A54-A58 WeakPolarHBondContact O-CB 3.29Å; A54-A58 PolarHBondContact O-N 3.1Å; A54-F243 HydrophobicContact CB-CE1 3.65Å; A54-F243 HydrophobicContact CB-CZ 3.98Å
55L66.9Low64.3Low31 Ų3173.1 Ų73.116%0.16240%0.396CS..Hα-helixtrans-67.8-31.8170-76.9172.6000112.8I50 G53 T57 A58 I233 V235 D239 F243I50-L55 HydrophobicContact CG1-CD1 4.18Å; I50-L55 HydrophobicContact CG1-CG 4.22Å; I50-L55 HydrophobicContact CG2-CD1 3.74Å; I50-L55 HydrophobicContact CG2-CG 4.34Å; G53-L55 VanDerWaalsContact C-N 3.26Å; G53-L55 PolarHBondContact O-N 2.9Å; G53-L55 VanDerWaalsContact O-N 3.16Å; L55-T57 VanDerWaalsContact C-N 3.32Å; L55-A58 PolarHBondContact O-N 3.14Å; L55-I233 HydrophobicContact CD1-CG2 3.62Å; L55-V235 HydrophobicContact CD1-CG1 3.65Å; L55-D239 HydrophobicContact CD2-CB 4.4Å; L55-F243 HydrophobicContact CD2-CE2 3.56Å; L55-F243 HydrophobicContact CD2-CZ 3.76Å; L55-F243 HydrophobicContact CG-CE2 3.88Å; L55-F243 HydrophobicContact CG-CZ 3.83Å
56K60.4Low62.1Low146 Ų14669.9 Ų69.964%0.63538%0.383SS*.Hα-helixtrans-72.1-29.2179.6-59.2171.1-176.61650111.1G53 A54G53-K56 WeakPolarHBondContact O-CA 3.25Å; G53-K56 WeakPolarHBondContact O-CB 3.33Å; G53-K56 PolarHBondContact O-N 3.41Å; A54-K56 VanDerWaalsContact C-N 3.33Å
57T48.5Very low60Low117 Ų11774.7 Ų74.772%0.71841%0.413SS*.Hα-helixtrans-87-27.317153.30000113.2G53 A54 L55 F59G53-T57 PolarHBondContact O-N 3.03Å; A54-T57 PolarHBondContact O-N 3.24Å; A54-T57 PolarHBondContact O-OG1 2.91Å; A54-T57 VanDerWaalsContact O-OG1 3.06Å; L55-T57 VanDerWaalsContact C-N 3.32Å; T57-F59 PolarHBondContact O-N 2.88Å
58A44.6Very low57.7Low33 Ų3382.9 Ų82.927%0.27345%0.448SS..THydrogen-bonded Turntrans-80.822.1176.300000114.4A54 L55 V60 R61A54-A58 WeakPolarHBondContact O-CB 3.29Å; A54-A58 PolarHBondContact O-N 3.1Å; L55-A58 PolarHBondContact O-N 3.14Å; A58-V60 CarbonylContact O-C 3.51Å; A58-V60 PolarHBondContact O-N 2.75Å; A58-R61 PolarHBondContact O-N 2.64Å; A58-R61 VanDerWaalsContact O-N 3.08Å
59F36.6Very low55.7Low173 Ų17381 Ų8176%0.75944%0.435SS*.THydrogen-bonded Turntrans-65-10.1166.4-103.5-80.5000113.3T57 R61T57-F59 PolarHBondContact O-N 2.88Å; F59-R61 PolarHBondContact O-N 3.09Å
60V37.5Very low54.1Low122 Ų12283.1 Ų83.174%0.73945%0.45SS*.  trans-73.771.5146.7-167.10000109.1A58A58-V60 CarbonylContact O-C 3.51Å; A58-V60 PolarHBondContact O-N 2.75Å
61R42.2Very low52.8Low126 Ų12686.7 Ų86.748%0.47547%0.472SS..  trans-54.5153.8137.5-76179.6170.9-169-8106.5A58 F59 S63 D239A58-R61 PolarHBondContact O-N 2.64Å; A58-R61 VanDerWaalsContact O-N 3.08Å; F59-R61 PolarHBondContact O-N 3.09Å; R61-S63 WeakPolarHBondContact CB-OG 3.39Å; R61-S63 PolarHBondContact O-N 3.02Å; R61-S63 PolarHBondContact O-OG 3.1Å; R61-D239 IonicContact NH2-OD1 3.1Å; R61-D239 PolarHBondContact NH2-OD1 3.15Å; R61-D239 VanDerWaalsContact NH2-OD1 3.1Å
62P39.6Very low51.9Low104 Ų10489.7 Ų89.768%0.67549%0.494SS*.  trans-68.758.3163.4-1933.8000110.6G64P62-G64 CarbonylContact O-C 3.6Å; P62-G64 PolarHBondContact O-N 2.9Å
63S37.1Very low51.6Low71 Ų7185.4 Ų85.450%0.49747%0.47SS..  trans-62.4-29.8-167.7-51.10000112.2R61 V185R61-S63 WeakPolarHBondContact CB-OG 3.39Å; R61-S63 PolarHBondContact O-N 3.02Å; R61-S63 PolarHBondContact O-OG 3.1Å; S63-V185 WeakPolarHBondContact O-CG1 3Å
64G43Very low52.1Low24 Ų2488.4 Ų88.425%0.24749%0.487CS..  trans-87.9119.4161.100000110.4P62 H66 V67P62-G64 CarbonylContact O-C 3.6Å; P62-G64 PolarHBondContact O-N 2.9Å; G64-H66 CarbonylContact O-C 3.57Å; G64-H66 PolarHBondContact O-N 3.18Å; G64-H66 VanDerWaalsContact O-N 3.15Å; G64-V67 PolarHBondContact O-N 3.13Å
65L45.2Very low52.8Low49 Ų4988.3 Ų88.326%0.25748%0.483SS..SBendtrans-52.2-26.7148.6-84.267.4000110.3V67 W82 V185 L186L65-V67 PolarHBondContact O-N 2.84Å; L65-W82 HydrophobicContact CD2-CD2 3.35Å; L65-W82 VanDerWaalsContact CD2-CE2 3.44Å; L65-W82 HydrophobicContact CD2-CE3 3.62Å; L65-W82 HydrophobicContact CD2-CG 3.78Å; L65-W82 HydrophobicContact CD2-CH2 4.01Å; L65-W82 HydrophobicContact CD2-CZ2 3.78Å; L65-W82 HydrophobicContact CD2-CZ3 3.94Å; L65-W82 HydrophobicContact CG-CE3 4.43Å; L65-W82 HydrophobicContact CG-CH2 4.35Å; L65-W82 HydrophobicContact CG-CZ2 4.46Å; L65-W82 HydrophobicContact CG-CZ3 4.35Å; L65-V185 HydrophobicContact CD1-CB 3.78Å; L65-V185 HydrophobicContact CD1-CG1 3.71Å; L65-V185 HydrophobicContact CD1-CG2 4.17Å; L65-L186 HydrophobicContact CD2-CD1 4.47Å; L65-L186 HydrophobicContact CD2-CG 4.4Å
66H43.7Very low53.9Low52 Ų5290.8 Ų90.824%0.24149%0.493CS..  trans-73.864.2167.2-61.6-15.6000112G64 F68 N69 E189G64-H66 CarbonylContact O-C 3.57Å; G64-H66 PolarHBondContact O-N 3.18Å; G64-H66 VanDerWaalsContact O-N 3.15Å; H66-F68 PolarHBondContact O-N 3Å; H66-F68 VanDerWaalsContact O-N 3.13Å; H66-N69 HydrophobicContact CB-CB 4.13Å; H66-N69 PolarHBondContact CE1-ND2 2.77Å; H66-N69 VanDerWaalsContact CG-ND2 3.29Å; H66-N69 PolarHBondContact ND1-ND2 3.27Å; H66-E189 IonicContact CD2-OE2 3.69Å; H66-E189 PolarHBondContact CD2-OE2 2.99Å; H66-E189 IonicContact NE2-OE2 3.01Å
67V45.4Very low55.2Low114 Ų11487 Ų8769%0.69148%0.479SS*.SBendtrans-49.4-40174.8-173.60000111.3G64 L65G64-V67 PolarHBondContact O-N 3.13Å; L65-V67 PolarHBondContact O-N 2.84Å
68F42.4Very low56.9Low179 Ų17981.4 Ų81.479%0.78545%0.445SS*.SBendtrans-145.1116.3160-68.5-82.9000109.4H66H66-F68 PolarHBondContact O-N 3Å; H66-F68 VanDerWaalsContact O-N 3.13Å
69N46.9Very low59Low43 Ų4379.9 Ų79.923%0.2343%0.432CS..  trans-144.4105.6159.7-88-28.5000107.9H66 V71 R81H66-N69 HydrophobicContact CB-CB 4.13Å; H66-N69 PolarHBondContact CE1-ND2 2.77Å; H66-N69 VanDerWaalsContact CG-ND2 3.29Å; H66-N69 PolarHBondContact ND1-ND2 3.27Å; N69-V71 PolarHBondContact O-N 2.93Å; N69-V71 VanDerWaalsContact O-N 3.11Å; N69-R81 PolarHBondContact ND2-NH1 2.8Å; N69-R81 PolarHBondContact OD1-NH1 3.28Å; N69-R81 PolarHBondContact OD1-NH2 3.3Å
70D52.6Low61.5Low115 Ų11573 Ų7362%0.61540%0.404SS*.SBendtrans-72.210.9159.7-54.4-58.2000111.5
71V56.8Low63.7Low80 Ų8072.3 Ų72.349%0.48539%0.388SS..SBendtrans-119.398.9-174.1-1780000108.9N69 L73N69-V71 PolarHBondContact O-N 2.93Å; N69-V71 VanDerWaalsContact O-N 3.11Å; V71-L73 HydrophobicContact CG1-CD2 4Å; V71-L73 HydrophobicContact CG1-CG 4.36Å; V71-L73 PolarHBondContact O-N 3.47Å
72T67Low65.7Low137 Ų13768.9 Ų68.984%0.8438%0.375SS*.  trans-63.7115.9165.3-47.40000108.9
73L77.2Confident67.9Low39 Ų3964.2 Ų64.220%0.20435%0.345CS..  trans-96.2148171.6-69.5177.2000109.7V71 A78 H190V71-L73 HydrophobicContact CG1-CD2 4Å; V71-L73 HydrophobicContact CG1-CG 4.36Å; V71-L73 PolarHBondContact O-N 3.47Å; L73-A78 HydrophobicContact CB-CB 4.15Å; L73-H190 PolarHBondContact O-NE2 3.46Å
74P87.6Confident70Confident79 Ų7965 Ų6551%0.51334%0.339SS..  trans-58141.1165.4-20.832.8000110.7K76 D77 A78P74-K76 PolarHBondContact O-N 2.89Å; P74-D77 WeakPolarHBondContact O-CA 3.27Å; P74-D77 PolarHBondContact O-N 2.9Å; P74-A78 PolarHBondContact O-N 3.29Å
75L87.3Confident71.6Confident20 Ų2067 Ų6711%0.10534%0.344CS..Hα-helixtrans-41.2-46.7-179175.460.3000114.1D77 A78 V79 Y135 L186 L187 H190 I192L75-D77 VanDerWaalsContact C-N 3.34Å; L75-D77 PolarHBondContact O-N 2.95Å; L75-A78 PolarHBondContact O-N 3.23Å; L75-V79 HydrophobicContact CD1-CG2 3.85Å; L75-V79 HydrophobicContact CG-CG2 4.49Å; L75-V79 WeakPolarHBondContact O-CB 3.43Å; L75-V79 WeakPolarHBondContact O-CG2 3.4Å; L75-V79 PolarHBondContact O-N 3.11Å; L75-Y135 HydrophobicContact CD2-CE2 3.74Å; L75-Y135 HydrophobicContact CG-CD2 4.43Å; L75-Y135 HydrophobicContact CG-CE2 3.86Å; L75-L186 HydrophobicContact CD1-CB 4.42Å; L75-L186 WeakPolarHBondContact CD1-O 3.34Å; L75-L187 HydrophobicContact CD1-CD2 4.2Å; L75-L187 HydrophobicContact CD2-CD2 4.02Å; L75-H190 HydrophobicContact CB-CB 4.45Å; L75-H190 HydrophobicContact CD1-CB 4.19Å; L75-H190 HydrophobicContact CD2-CB 4.32Å; L75-H190 PolarHBondContact N-NE2 3.02Å; L75-I192 HydrophobicContact CD2-CD1 3.72Å
76K90.3Very high73.2Confident84 Ų8464.9 Ų64.937%0.36533%0.333SS..Hα-helixtrans-53.9-49.9177.1179.6-150.5155.9-66.20111.6P74 V79 D80 Y135P74-K76 PolarHBondContact O-N 2.89Å; K76-V79 PolarHBondContact O-N 2.76Å; K76-D80 IonicContact NZ-OD2 2.64Å; K76-D80 PolarHBondContact NZ-OD2 3.1Å; K76-D80 WeakPolarHBondContact O-CB 3.46Å; K76-D80 PolarHBondContact O-N 3.07Å; K76-Y135 HydrophobicContact CB-CD1 3.76Å; K76-Y135 HydrophobicContact CB-CE1 4.35Å; K76-Y135 HydrophobicContact CB-CG 4.12Å; K76-Y135 HydrophobicContact CG-CD1 3.84Å; K76-Y135 HydrophobicContact CG-CG 4.18Å
77D87.1Confident74.6Confident65 Ų6562.9 Ų62.935%0.34833%0.325SS..Hα-helixtrans-79.1-27.7-174.1-55.1-42.3000111.6P74 L75 R81P74-D77 WeakPolarHBondContact O-CA 3.27Å; P74-D77 PolarHBondContact O-N 2.9Å; L75-D77 VanDerWaalsContact C-N 3.34Å; L75-D77 PolarHBondContact O-N 2.95Å; D77-R81 WeakPolarHBondContact O-CB 3.47Å; D77-R81 PolarHBondContact O-N 3.01Å
78A85.8Confident75.6Confident1 Ų162.3 Ų62.31%0.00832%0.316CS..Hα-helixtrans-65.4-46.8168.200000111.6L73 P74 L75 R81 W82 L186L73-A78 HydrophobicContact CB-CB 4.15Å; P74-A78 PolarHBondContact O-N 3.29Å; L75-A78 PolarHBondContact O-N 3.23Å; A78-R81 PolarHBondContact O-N 3.33Å; A78-W82 PolarHBondContact O-N 3.2Å; A78-L186 HydrophobicContact CB-CD1 4.33Å; A78-L186 HydrophobicContact CB-CD2 3.96Å
79V88.3Confident76.5Confident0 Ų056.8 Ų56.80%030%0.3CS..Hα-helixtrans-65.5-42176.5165.40000111.7L75 K76 W82 C83 F134 Y135 V138 V183 L186L75-V79 HydrophobicContact CD1-CG2 3.85Å; L75-V79 HydrophobicContact CG-CG2 4.49Å; L75-V79 WeakPolarHBondContact O-CB 3.43Å; L75-V79 WeakPolarHBondContact O-CG2 3.4Å; L75-V79 PolarHBondContact O-N 3.11Å; K76-V79 PolarHBondContact O-N 2.76Å; V79-W82 PolarHBondContact O-N 2.88Å; V79-C83 PolarHBondContact O-N 3.28Å; V79-F134 HydrophobicContact CG1-CD1 3.89Å; V79-Y135 HydrophobicContact CB-CD2 4.34Å; V79-Y135 HydrophobicContact CG1-CD2 4.28Å; V79-Y135 HydrophobicContact CG2-CD2 4.31Å; V79-V138 HydrophobicContact CG1-CG2 4.04Å; V79-V183 HydrophobicContact CG1-CG2 4.17Å; V79-L186 HydrophobicContact CG2-CB 4.22Å; V79-L186 HydrophobicContact CG2-CD1 4.04Å
80D88.6Confident76.9Confident30 Ų3056.9 Ų56.916%0.1630%0.299CS..Hα-helixtrans-65.5-41.4175.7-70.4-19.5000111.3K76 C83 F84 S133 F134 Y135K76-D80 IonicContact NZ-OD2 2.64Å; K76-D80 PolarHBondContact NZ-OD2 3.1Å; K76-D80 WeakPolarHBondContact O-CB 3.46Å; K76-D80 PolarHBondContact O-N 3.07Å; D80-C83 PolarHBondContact O-N 2.81Å; D80-F84 WeakPolarHBondContact O-CB 3.33Å; D80-F84 PolarHBondContact O-N 3.31Å; D80-S133 WeakPolarHBondContact OD1-CA 3.27Å; D80-S133 PolarHBondContact OD1-OG 2.77Å; D80-S133 WeakPolarHBondContact OD2-CB 3.45Å; D80-S133 PolarHBondContact OD2-OG 2.74Å; D80-F134 WeakPolarHBondContact OD1-CA 3.47Å; D80-F134 PolarHBondContact OD1-N 3.37Å; D80-Y135 PolarHBondContact OD1-N 3.33Å
81R83.9Confident76.6Confident107 Ų10755 Ų5540%0.40430%0.295SS..Hα-helixtrans-61.4-41.1172178176.3172.1-171.1-6111.6N69 D77 A78 F84 I85N69-R81 PolarHBondContact ND2-NH1 2.8Å; N69-R81 PolarHBondContact OD1-NH1 3.28Å; N69-R81 PolarHBondContact OD1-NH2 3.3Å; D77-R81 WeakPolarHBondContact O-CB 3.47Å; D77-R81 PolarHBondContact O-N 3.01Å; A78-R81 PolarHBondContact O-N 3.33Å; R81-F84 WeakPolarHBondContact O-CB 3.28Å; R81-F84 PolarHBondContact O-N 3.33Å; R81-I85 WeakPolarHBondContact O-CG1 3.25Å; R81-I85 PolarHBondContact O-N 3.03Å
82W84.3Confident76.1Confident53 Ų5353.1 Ų53.120%0.20128%0.28CS..Hα-helixtrans-66.2-47.2177.3179.1-126.3000112.2L65 A78 V79 F84 I85 C86 L178 L179 L186L65-W82 HydrophobicContact CD2-CD2 3.35Å; L65-W82 VanDerWaalsContact CD2-CE2 3.44Å; L65-W82 HydrophobicContact CD2-CE3 3.62Å; L65-W82 HydrophobicContact CD2-CG 3.78Å; L65-W82 HydrophobicContact CD2-CH2 4.01Å; L65-W82 HydrophobicContact CD2-CZ2 3.78Å; L65-W82 HydrophobicContact CD2-CZ3 3.94Å; L65-W82 HydrophobicContact CG-CE3 4.43Å; L65-W82 HydrophobicContact CG-CH2 4.35Å; L65-W82 HydrophobicContact CG-CZ2 4.46Å; L65-W82 HydrophobicContact CG-CZ3 4.35Å; A78-W82 PolarHBondContact O-N 3.2Å; V79-W82 PolarHBondContact O-N 2.88Å; W82-F84 PolarHBondContact O-N 3.22Å; W82-I85 HydrophobicContact CE3-CB 4.09Å; W82-I85 HydrophobicContact CE3-CG2 4.09Å; W82-I85 HydrophobicContact CZ3-CB 4.38Å; W82-I85 HydrophobicContact CZ3-CG2 3.86Å; W82-I85 PolarHBondContact O-N 2.77Å; W82-C86 VanDerWaalsContact CD2-SG 3.57Å; W82-C86 WeakPolarHBondContact CZ2-SG 3.23Å; W82-C86 PolarHBondContact O-N 3.4Å; W82-C86 PolarHBondContact O-SG 2.72Å; W82-C86 VanDerWaalsContact O-SG 3.33Å; W82-L178 VanDerWaalsContact CZ2-O 3.28Å; W82-L178 WeakPolarHBondContact CZ2-O 3.37Å; W82-L178 PolarHBondContact NE1-O 2.97Å; W82-L179 PolarHBondContact NE1-O 3.02Å; W82-L179 VanDerWaalsContact NE1-O 3.17Å; W82-L186 HydrophobicContact CB-CD1 3.73Å; W82-L186 HydrophobicContact CG-CD1 4.26Å
83C85.7Confident75.3Confident7 Ų751 Ų515%0.04726%0.257CS..Hα-helixtrans-56.1-38.2173.5-175.80000112V79 D80 A87 F134 L179V79-C83 PolarHBondContact O-N 3.28Å; D80-C83 PolarHBondContact O-N 2.81Å; C83-A87 VanDerWaalsContact O-CB 3.28Å; C83-A87 WeakPolarHBondContact O-CB 3.48Å; C83-A87 PolarHBondContact O-N 2.84Å; C83-F134 HydrophobicContact CB-CB 3.65Å; C83-F134 HydrophobicContact CB-CD1 3.84Å; C83-F134 HydrophobicContact CB-CD2 4.27Å; C83-F134 HydrophobicContact CB-CG 3.63Å; C83-F134 VanDerWaalsContact SG-CD2 3.52Å; C83-F134 VanDerWaalsContact SG-CG 3.51Å; C83-L179 HydrophobicContact CB-CD1 3.99Å
84F80.4Confident73.9Confident87 Ų8751.8 Ų51.838%0.38226%0.263SS..Hα-helixtrans-64.8-44.8175.1-173.3-99000112.3D80 R81 W82 A87 M88 F123D80-F84 WeakPolarHBondContact O-CB 3.33Å; D80-F84 PolarHBondContact O-N 3.31Å; R81-F84 WeakPolarHBondContact O-CB 3.28Å; R81-F84 PolarHBondContact O-N 3.33Å; W82-F84 PolarHBondContact O-N 3.22Å; F84-A87 PolarHBondContact O-N 2.9Å; F84-M88 HydrophobicContact CD1-CE 3.67Å; F84-M88 HydrophobicContact CD1-CG 4.38Å; F84-M88 HydrophobicContact CD1-SD 4.1Å; F84-M88 HydrophobicContact CE1-CE 3.37Å; F84-M88 HydrophobicContact CE1-CG 4.08Å; F84-M88 HydrophobicContact CE1-SD 3.37Å; F84-M88 WeakPolarHBondContact CE1-SD 3.32Å; F84-M88 HydrophobicContact CZ-CE 4.3Å; F84-M88 HydrophobicContact CZ-CG 4.25Å; F84-M88 HydrophobicContact CZ-SD 3.7Å; F84-M88 WeakPolarHBondContact O-CG 3.19Å; F84-M88 PolarHBondContact O-N 3.46Å; F84-F123 HydrophobicContact CB-CZ 4.47Å; F84-F123 AromaticContact CD2-CE1 3.93Å; F84-F123 HydrophobicContact CD2-CE1 3.93Å; F84-F123 AromaticContact CD2-CE2 3.73Å; F84-F123 HydrophobicContact CD2-CE2 3.73Å; F84-F123 AromaticContact CD2-CZ 3.33Å; F84-F123 HydrophobicContact CD2-CZ 3.33Å; F84-F123 AromaticContact CE2-CE2 3.76Å; F84-F123 HydrophobicContact CE2-CE2 3.76Å; F84-F123 AromaticContact CE2-CZ 3.88Å; F84-F123 HydrophobicContact CE2-CZ 3.88Å; F84-F123 HydrophobicContact CG-CZ 4.24Å
85I76.6Confident71.9Confident65 Ų6551.9 Ų51.933%0.33326%0.259SS..Hα-helixtrans-61.4-50174.8-66.4-67000111.2R81 W82 A87 M88 S89R81-I85 WeakPolarHBondContact O-CG1 3.25Å; R81-I85 PolarHBondContact O-N 3.03Å; W82-I85 HydrophobicContact CE3-CB 4.09Å; W82-I85 HydrophobicContact CE3-CG2 4.09Å; W82-I85 HydrophobicContact CZ3-CB 4.38Å; W82-I85 HydrophobicContact CZ3-CG2 3.86Å; W82-I85 PolarHBondContact O-N 2.77Å; I85-A87 VanDerWaalsContact C-N 3.26Å; I85-A87 PolarHBondContact O-N 2.83Å; I85-M88 HydrophobicContact CD1-CE 3.89Å; I85-M88 PolarHBondContact O-N 3Å; I85-S89 PolarHBondContact O-N 3.31Å; I85-S89 PolarHBondContact O-OG 2.83Å
86C78.7Confident70.4Confident6 Ų654.1 Ų54.14%0.04127%0.268CS..Hα-helixtrans-58.7-38.1178.5-59.90000112.7W82 M88 F159 L179W82-C86 VanDerWaalsContact CD2-SG 3.57Å; W82-C86 WeakPolarHBondContact CZ2-SG 3.23Å; W82-C86 PolarHBondContact O-N 3.4Å; W82-C86 PolarHBondContact O-SG 2.72Å; W82-C86 VanDerWaalsContact O-SG 3.33Å; C86-M88 VanDerWaalsContact C-N 3.34Å; C86-F159 HydrophobicContact CB-CE1 3.89Å; C86-F159 HydrophobicContact CB-CZ 4.17Å; C86-L179 HydrophobicContact CB-CB 4.44Å; C86-L179 HydrophobicContact CB-CD1 4.34Å
87A74.4Confident68.9Low9 Ų951.9 Ų51.97%0.07426%0.259CS..Hα-helixtrans-73.8-20.8176.400000113.8C83 F84 I85 F90 F123 F159C83-A87 VanDerWaalsContact O-CB 3.28Å; C83-A87 WeakPolarHBondContact O-CB 3.48Å; C83-A87 PolarHBondContact O-N 2.84Å; F84-A87 PolarHBondContact O-N 2.9Å; I85-A87 VanDerWaalsContact C-N 3.26Å; I85-A87 PolarHBondContact O-N 2.83Å; A87-F90 WeakPolarHBondContact O-CD2 3.2Å; A87-F123 HydrophobicContact CB-CZ 3.9Å; A87-F159 HydrophobicContact CB-CZ 4.33Å
88M66Low67.7Low102 Ų10255 Ų5550%0.50228%0.283SS..Hα-helixtrans-89.2-29.5174.1-76.7-158-54.400114.1F84 I85 C86 F90F84-M88 HydrophobicContact CD1-CE 3.67Å; F84-M88 HydrophobicContact CD1-CG 4.38Å; F84-M88 HydrophobicContact CD1-SD 4.1Å; F84-M88 HydrophobicContact CE1-CE 3.37Å; F84-M88 HydrophobicContact CE1-CG 4.08Å; F84-M88 HydrophobicContact CE1-SD 3.37Å; F84-M88 WeakPolarHBondContact CE1-SD 3.32Å; F84-M88 HydrophobicContact CZ-CE 4.3Å; F84-M88 HydrophobicContact CZ-CG 4.25Å; F84-M88 HydrophobicContact CZ-SD 3.7Å; F84-M88 WeakPolarHBondContact O-CG 3.19Å; F84-M88 PolarHBondContact O-N 3.46Å; I85-M88 HydrophobicContact CD1-CE 3.89Å; I85-M88 PolarHBondContact O-N 3Å; C86-M88 VanDerWaalsContact C-N 3.34Å; M88-F90 PolarHBondContact O-N 3.2Å
89S60.6Low66.9Low63 Ų6358.9 Ų58.944%0.44132%0.323SS..SBendtrans-74.654.7179.7-58.60000112.2I85 K175I85-S89 PolarHBondContact O-N 3.31Å; I85-S89 PolarHBondContact O-OG 2.83Å; S89-K175 PolarHBondContact O-NZ 3.07Å
90F56.5Low65.9Low46 Ų4661.7 Ų61.720%0.20234%0.336CS..  trans-117.8123.9-152.5-147.9-84.2000113.5A87 M88 F92 C158A87-F90 WeakPolarHBondContact O-CD2 3.2Å; M88-F90 PolarHBondContact O-N 3.2Å; F90-F92 HydrophobicContact CD1-CB 4.47Å; F90-F92 AromaticContact CD1-CD1 3.94Å; F90-F92 HydrophobicContact CD1-CD1 3.94Å; F90-F92 AromaticContact CD1-CD2 3.6Å; F90-F92 HydrophobicContact CD1-CD2 3.6Å; F90-F92 HydrophobicContact CD1-CE1 4.01Å; F90-F92 AromaticContact CD1-CE2 3.67Å; F90-F92 HydrophobicContact CD1-CE2 3.67Å; F90-F92 AromaticContact CD1-CG 3.71Å; F90-F92 HydrophobicContact CD1-CG 3.71Å; F90-F92 AromaticContact CD1-CZ 3.87Å; F90-F92 HydrophobicContact CD1-CZ 3.87Å; F90-F92 HydrophobicContact CE1-CB 4.02Å; F90-F92 AromaticContact CE1-CD1 3.39Å; F90-F92 HydrophobicContact CE1-CD1 3.39Å; F90-F92 AromaticContact CE1-CD2 3.87Å; F90-F92 HydrophobicContact CE1-CD2 3.87Å; F90-F92 AromaticContact CE1-CE1 3.73Å; F90-F92 HydrophobicContact CE1-CE1 3.73Å; F90-F92 HydrophobicContact CE1-CE2 4.16Å; F90-F92 AromaticContact CE1-CG 3.45Å; F90-F92 HydrophobicContact CE1-CG 3.45Å; F90-F92 VanDerWaalsContact CE1-CG 3.45Å; F90-F92 HydrophobicContact CE1-CZ 4.09Å; F90-F92 HydrophobicContact CZ-CD1 4.38Å; F90-C158 HydrophobicContact CE2-CB 3.65Å; F90-C158 WeakPolarHBondContact CE2-O 3.49Å; F90-C158 HydrophobicContact CZ-CB 3.56Å; F90-C158 WeakPolarHBondContact CZ-O 3.49Å
91S45.5Very low64.7Low76 Ų7664.2 Ų64.253%0.53135%0.354SS..  trans-115.7133.4150.6-72.60000107.4W93S91-W93 VanDerWaalsContact CB-CZ2 3.49Å
92F45.8Very low63.8Low40 Ų4064.4 Ų64.418%0.17536%0.358CS..  trans-82.1143.9173.4-54.3-106.2000107.8F90 Y103 I105 A118 V119F90-F92 HydrophobicContact CD1-CB 4.47Å; F90-F92 AromaticContact CD1-CD1 3.94Å; F90-F92 HydrophobicContact CD1-CD1 3.94Å; F90-F92 AromaticContact CD1-CD2 3.6Å; F90-F92 HydrophobicContact CD1-CD2 3.6Å; F90-F92 HydrophobicContact CD1-CE1 4.01Å; F90-F92 AromaticContact CD1-CE2 3.67Å; F90-F92 HydrophobicContact CD1-CE2 3.67Å; F90-F92 AromaticContact CD1-CG 3.71Å; F90-F92 HydrophobicContact CD1-CG 3.71Å; F90-F92 AromaticContact CD1-CZ 3.87Å; F90-F92 HydrophobicContact CD1-CZ 3.87Å; F90-F92 HydrophobicContact CE1-CB 4.02Å; F90-F92 AromaticContact CE1-CD1 3.39Å; F90-F92 HydrophobicContact CE1-CD1 3.39Å; F90-F92 AromaticContact CE1-CD2 3.87Å; F90-F92 HydrophobicContact CE1-CD2 3.87Å; F90-F92 AromaticContact CE1-CE1 3.73Å; F90-F92 HydrophobicContact CE1-CE1 3.73Å; F90-F92 HydrophobicContact CE1-CE2 4.16Å; F90-F92 AromaticContact CE1-CG 3.45Å; F90-F92 HydrophobicContact CE1-CG 3.45Å; F90-F92 VanDerWaalsContact CE1-CG 3.45Å; F90-F92 HydrophobicContact CE1-CZ 4.09Å; F90-F92 HydrophobicContact CZ-CD1 4.38Å; F92-Y103 VanDerWaalsContact C-CD1 3.47Å; F92-Y103 VanDerWaalsContact C-CE1 3.43Å; F92-Y103 HydrophobicContact CB-CD1 3.24Å; F92-Y103 HydrophobicContact CB-CD2 4.46Å; F92-Y103 HydrophobicContact CB-CE1 4.1Å; F92-Y103 HydrophobicContact CB-CG 3.48Å; F92-Y103 VanDerWaalsContact CB-CG 3.48Å; F92-Y103 HydrophobicContact CG-CD1 4.4Å; F92-Y103 HydrophobicContact CG-CG 4.22Å; F92-Y103 VanDerWaalsContact O-CD1 3.31Å; F92-Y103 WeakPolarHBondContact O-CD1 3.45Å; F92-Y103 WeakPolarHBondContact O-CE1 3.17Å; F92-I105 HydrophobicContact CE1-CD1 4.24Å; F92-A118 HydrophobicContact CE1-CB 4.13Å; F92-A118 HydrophobicContact CZ-CB 4.15Å; F92-V119 HydrophobicContact CZ-CG2 4.26Å
93W49.7Very low62.8Low93 Ų9365.8 Ų65.835%0.35236%0.364SS..  trans-130.7-29.8-173.9-68.8124.8000117.3S91 K102 P202S91-W93 VanDerWaalsContact CB-CZ2 3.49Å; W93-K102 PolarHBondContact O-NZ 3.17Å; W93-P202 HydrophobicContact CB-CG 4.03Å; W93-P202 HydrophobicContact CG-CG 4.36Å
94V48.3Very low62Low55 Ų5567.2 Ų67.233%0.33337%0.37SS..SBendtrans-112164.3-179.8-61.50000113.4F96V94-F96 VanDerWaalsContact C-N 3.32Å; V94-F96 PolarHBondContact O-N 2.87Å
95D45.2Very low61.6Low81 Ų8163.3 Ų63.343%0.43335%0.353SS..  trans-70.385.7173.2-59.4-31.3000109.2M97 K102D95-M97 CarbonylContact O-C 3.58Å; D95-M97 PolarHBondContact O-N 3.38Å; D95-K102 WeakPolarHBondContact OD1-CG 3.47Å
96F56.9Low61.5Low66 Ų6664.5 Ų64.529%0.28936%0.356SS..SBendtrans-53.6-31.9-173.9163.9-96.4000112.9V94 M104 I105 P157V94-F96 VanDerWaalsContact C-N 3.32Å; V94-F96 PolarHBondContact O-N 2.87Å; F96-M104 WeakPolarHBondContact CD1-O 3.31Å; F96-I105 HydrophobicContact CD1-CB 4.31Å; F96-I105 HydrophobicContact CD1-CG1 3.87Å; F96-I105 HydrophobicContact CE1-CG1 4.47Å; F96-I105 HydrophobicContact CE1-CG2 4.43Å; F96-I105 HydrophobicContact CG-CG1 4.22Å; F96-P157 HydrophobicContact CD2-CB 3.75Å; F96-P157 HydrophobicContact CE2-CB 3.39Å; F96-P157 HydrophobicContact CE2-CG 3.79Å
97M57.9Low61.4Low38 Ų3864.8 Ų64.819%0.18736%0.358CS..SBendtrans-115.1126.8161.3-61.3-150.9-48.100109.4D95 G99 E100 K106 L112D95-M97 CarbonylContact O-C 3.58Å; D95-M97 PolarHBondContact O-N 3.38Å; M97-G99 PolarHBondContact O-N 2.86Å; M97-E100 HydrophobicContact CB-CB 4.14Å; M97-E100 HydrophobicContact CB-CG 3.72Å; M97-E100 HydrophobicContact CE-CG 3.43Å; M97-E100 VanDerWaalsContact CE-CG 3.43Å; M97-E100 WeakPolarHBondContact CE-OE1 3.15Å; M97-E100 PolarHBondContact O-N 2.83Å; M97-E100 VanDerWaalsContact O-N 3.12Å; M97-K106 HydrophobicContact CE-CB 3.74Å; M97-K106 HydrophobicContact CE-CD 3.82Å; M97-K106 HydrophobicContact CE-CG 4.2Å; M97-K106 HydrophobicContact SD-CB 3.51Å; M97-K106 VanDerWaalsContact SD-CB 3.51Å; M97-K106 HydrophobicContact SD-CD 3.97Å; M97-K106 HydrophobicContact SD-CG 4.34Å; M97-L112 HydrophobicContact CE-CD2 3.69Å
98P63.3Low61.4Low129 Ų12969.5 Ų69.584%0.83839%0.388SS*.THydrogen-bonded Turntrans-54.9126.2174.7-2735.4000111.8
99G68.3Low62.1Low83 Ų8369.9 Ų69.986%0.85639%0.392SS*.THydrogen-bonded Turntrans88-5.818000000115.9M97M97-G99 PolarHBondContact O-N 2.86Å
100E67Low63.1Low59 Ų5968.5 Ų68.528%0.27639%0.388SS..SBendtrans-93.6161.1172.2-65.5-72.4-171.900111.9M97 L112M97-E100 HydrophobicContact CB-CB 4.14Å; M97-E100 HydrophobicContact CB-CG 3.72Å; M97-E100 HydrophobicContact CE-CG 3.43Å; M97-E100 VanDerWaalsContact CE-CG 3.43Å; M97-E100 WeakPolarHBondContact CE-OE1 3.15Å; M97-E100 PolarHBondContact O-N 2.83Å; M97-E100 VanDerWaalsContact O-N 3.12Å; E100-L112 VanDerWaalsContact OE2-CD1 3.27Å; E100-L112 WeakPolarHBondContact OE2-CD1 3.16Å
101P64.5Low64.2Low84 Ų8470.8 Ų70.855%0.54540%0.402SS..  trans-57.2141170.3-23.133.7000112.5Y103 M104P101-Y103 PolarHBondContact O-N 3.39Å; P101-M104 HydrophobicContact CB-CG 3.99Å; P101-M104 WeakPolarHBondContact O-CB 3.12Å; P101-M104 WeakPolarHBondContact O-CG 3.16Å; P101-M104 PolarHBondContact O-N 3Å
102K63.5Low65.8Low110 Ų11070 Ų7048%0.47839%0.392SS..THydrogen-bonded Turntrans-40.5138170.8-83.5-166.8178.2-147.20112.7W93 D95 M104W93-K102 PolarHBondContact O-NZ 3.17Å; D95-K102 WeakPolarHBondContact OD1-CG 3.47Å; K102-M104 PolarHBondContact O-N 3.3Å
103Y64.3Low67.2Low83 Ų8371.5 Ų71.533%0.32540%0.396SS..THydrogen-bonded Turntrans71.88169.7-33.5-32.7000115.3F92 P101F92-Y103 VanDerWaalsContact C-CD1 3.47Å; F92-Y103 VanDerWaalsContact C-CE1 3.43Å; F92-Y103 HydrophobicContact CB-CD1 3.24Å; F92-Y103 HydrophobicContact CB-CD2 4.46Å; F92-Y103 HydrophobicContact CB-CE1 4.1Å; F92-Y103 HydrophobicContact CB-CG 3.48Å; F92-Y103 VanDerWaalsContact CB-CG 3.48Å; F92-Y103 HydrophobicContact CG-CD1 4.4Å; F92-Y103 HydrophobicContact CG-CG 4.22Å; F92-Y103 VanDerWaalsContact O-CD1 3.31Å; F92-Y103 WeakPolarHBondContact O-CD1 3.45Å; F92-Y103 WeakPolarHBondContact O-CE1 3.17Å; P101-Y103 PolarHBondContact O-N 3.39Å
104M69.3Low68.2Low36 Ų3674.3 Ų74.318%0.17741%0.411CS..  trans-85.3144.3172.3-56.8-64.1-66.700111.4F96 P101 K102 L112 W113 K114F96-M104 WeakPolarHBondContact CD1-O 3.31Å; P101-M104 HydrophobicContact CB-CG 3.99Å; P101-M104 WeakPolarHBondContact O-CB 3.12Å; P101-M104 WeakPolarHBondContact O-CG 3.16Å; P101-M104 PolarHBondContact O-N 3Å; K102-M104 PolarHBondContact O-N 3.3Å; M104-L112 HydrophobicContact CE-CB 3.52Å; M104-W113 CarbonylContact C-O 3.59Å; M104-W113 VanDerWaalsContact CA-O 3.31Å; M104-W113 WeakPolarHBondContact CA-O 3.3Å; M104-K114 HydrophobicContact SD-CB 3.73Å; M104-K114 HydrophobicContact SD-CD 4.08Å; M104-K114 HydrophobicContact SD-CG 4.12Å
105I71.7Confident69.2Low5 Ų573.3 Ų73.33%0.02641%0.411CS..EExtended strand (participates in β ladder)trans-126.6129.4174.7-68-178.3000109.6F92 F96 W113 A118 V121 R122F92-I105 HydrophobicContact CE1-CD1 4.24Å; F96-I105 HydrophobicContact CD1-CB 4.31Å; F96-I105 HydrophobicContact CD1-CG1 3.87Å; F96-I105 HydrophobicContact CE1-CG1 4.47Å; F96-I105 HydrophobicContact CE1-CG2 4.43Å; F96-I105 HydrophobicContact CG-CG1 4.22Å; I105-W113 PolarHBondContact N-O 3.16Å; I105-W113 PolarHBondContact O-N 3.03Å; I105-A118 HydrophobicContact CB-CB 4.03Å; I105-A118 HydrophobicContact CD1-CB 3.83Å; I105-A118 HydrophobicContact CG1-CB 4.03Å; I105-V121 HydrophobicContact CG2-CB 4.4Å; I105-V121 HydrophobicContact CG2-CG1 3.93Å; I105-R122 HydrophobicContact CD1-CG 4.19Å
106K73.9Confident70.1Confident91 Ų9174.5 Ų74.540%0.39642%0.421SS..EExtended strand (participates in β ladder)trans-79.9128.2173.2-157.3179.5-147.4144.60111.7M97 G110 L111 L112M97-K106 HydrophobicContact CE-CB 3.74Å; M97-K106 HydrophobicContact CE-CD 3.82Å; M97-K106 HydrophobicContact CE-CG 4.2Å; M97-K106 HydrophobicContact SD-CB 3.51Å; M97-K106 VanDerWaalsContact SD-CB 3.51Å; M97-K106 HydrophobicContact SD-CD 3.97Å; M97-K106 HydrophobicContact SD-CG 4.34Å; K106-G110 WeakPolarHBondContact CE-O 3.32Å; K106-G110 WeakPolarHBondContact CG-O 3.26Å; K106-L111 CarbonylContact C-O 3.47Å; K106-L111 VanDerWaalsContact CA-O 3.26Å; K106-L111 WeakPolarHBondContact CA-O 3.22Å; K106-L112 HydrophobicContact CB-CD2 3.9Å; K106-L112 HydrophobicContact CG-CD2 4.03Å
107S77.3Confident70.8Confident11 Ų1179.5 Ų79.58%0.07744%0.438CS..  trans-85.7167.7170.439.90000112.1D109 G110 L111 W113S107-D109 VanDerWaalsContact CB-OD1 3.25Å; S107-D109 WeakPolarHBondContact CB-OD1 3.32Å; S107-D109 PolarHBondContact O-N 3.07Å; S107-D109 VanDerWaalsContact O-N 3.15Å; S107-D109 PolarHBondContact OG-OD1 3.06Å; S107-G110 PolarHBondContact O-N 3.49Å; S107-L111 PolarHBondContact N-O 3.19Å; S107-L111 PolarHBondContact OG-O 2.9Å; S107-L111 VanDerWaalsContact OG-O 3.05Å; S107-W113 PolarHBondContact OG-NE1 3.14Å
108P74.4Confident71.5Confident109 Ų10977.7 Ų77.771%0.70843%0.429SS*.THydrogen-bonded Turntrans-63.3-17.2-177.3-25.136.4000115.7G110P108-G110 VanDerWaalsContact C-N 3.32Å
109D80.9Confident71.9Confident109 Ų10972.7 Ų72.758%0.58340%0.397SS*.THydrogen-bonded Turntrans-82.6-5.617254.715.1000113.3S107 L111S107-D109 VanDerWaalsContact CB-OD1 3.25Å; S107-D109 WeakPolarHBondContact CB-OD1 3.32Å; S107-D109 PolarHBondContact O-N 3.07Å; S107-D109 VanDerWaalsContact O-N 3.15Å; S107-D109 PolarHBondContact OG-OD1 3.06Å; D109-L111 WeakPolarHBondContact OD1-CB 3.39Å; D109-L111 PolarHBondContact OD1-N 3.36Å
110G81Confident72.1Confident35 Ų3573.4 Ų73.436%0.36138%0.379SS..SBendtrans91.3-4.9-178.200000115.7K106 S107 P108K106-G110 WeakPolarHBondContact CE-O 3.32Å; K106-G110 WeakPolarHBondContact CG-O 3.26Å; S107-G110 PolarHBondContact O-N 3.49Å; P108-G110 VanDerWaalsContact C-N 3.32Å
111L80Confident72.4Confident93 Ų9371.2 Ų71.249%0.48737%0.37SS..  trans-74.4151.8-179.6-61.7177.8000112.5K106 S107 D109 W113K106-L111 CarbonylContact C-O 3.47Å; K106-L111 VanDerWaalsContact CA-O 3.26Å; K106-L111 WeakPolarHBondContact CA-O 3.22Å; S107-L111 PolarHBondContact N-O 3.19Å; S107-L111 PolarHBondContact OG-O 2.9Å; S107-L111 VanDerWaalsContact OG-O 3.05Å; D109-L111 WeakPolarHBondContact OD1-CB 3.39Å; D109-L111 PolarHBondContact OD1-N 3.36Å; L111-W113 HydrophobicContact CB-CZ2 4.05Å; L111-W113 HydrophobicContact CD1-CH2 4.47Å; L111-W113 HydrophobicContact CD1-CZ2 3.81Å
112L79.6Confident72.7Confident61 Ų6168.2 Ų68.232%0.31935%0.347SS..EExtended strand (participates in β ladder)trans-106.2131.6-178.8-58.9174.5000111.6M97 E100 M104 K106M97-L112 HydrophobicContact CE-CD2 3.69Å; E100-L112 VanDerWaalsContact OE2-CD1 3.27Å; E100-L112 WeakPolarHBondContact OE2-CD1 3.16Å; M104-L112 HydrophobicContact CE-CB 3.52Å; K106-L112 HydrophobicContact CB-CD2 3.9Å; K106-L112 HydrophobicContact CG-CD2 4.03Å
113W74Confident73.1Confident70 Ų7064.6 Ų64.627%0.26533%0.332SS..EExtended strand (participates in β ladder)trans-130.3147.1-176.4-53.494.2000112.7M104 I105 S107 L111 R117 A118 V121M104-W113 CarbonylContact C-O 3.59Å; M104-W113 VanDerWaalsContact CA-O 3.31Å; M104-W113 WeakPolarHBondContact CA-O 3.3Å; I105-W113 PolarHBondContact N-O 3.16Å; I105-W113 PolarHBondContact O-N 3.03Å; S107-W113 PolarHBondContact OG-NE1 3.14Å; L111-W113 HydrophobicContact CB-CZ2 4.05Å; L111-W113 HydrophobicContact CD1-CH2 4.47Å; L111-W113 HydrophobicContact CD1-CZ2 3.81Å; W113-R117 HydrophobicContact CB-CB 3.99Å; W113-R117 HydrophobicContact CD2-CB 4.24Å; W113-R117 HydrophobicContact CE3-CB 3.84Å; W113-R117 VanDerWaalsContact CE3-CD 3.42Å; W113-R117 HydrophobicContact CE3-CG 4.25Å; W113-R117 HydrophobicContact CG-CB 4.35Å; W113-A118 HydrophobicContact CB-CB 4.37Å; W113-A118 WeakPolarHBondContact O-CB 3.47Å; W113-V121 HydrophobicContact CG-CG2 4.17Å
114K71.8Confident73.5Confident153 Ų15365 Ų6567%0.66534%0.339SS*.  trans-123163.417359.4-179.4-179.9-178.70112.5M104 R117M104-K114 HydrophobicContact SD-CB 3.73Å; M104-K114 HydrophobicContact SD-CD 4.08Å; M104-K114 HydrophobicContact SD-CG 4.12Å; K114-R117 PolarHBondContact O-N 3.35Å
115G67.5Low73.6Confident33 Ų3365.5 Ų65.534%0.3434%0.341SS..Hα-helixtrans57.1-139.1176.600000112.7R117 A118 V119G115-R117 PolarHBondContact O-N 3.04Å; G115-R117 VanDerWaalsContact O-N 3.1Å; G115-A118 WeakPolarHBondContact O-CA 3.33Å; G115-A118 VanDerWaalsContact O-CB 3.25Å; G115-A118 WeakPolarHBondContact O-CB 3.45Å; G115-A118 PolarHBondContact O-N 3.02Å; G115-V119 PolarHBondContact O-N 3.22Å; G115-V119 VanDerWaalsContact O-N 3.14Å
116T65.4Low73.6Confident106 Ų10665.9 Ų65.965%0.6534%0.343SS*.Hα-helixtrans-53.6-34.3-177.7-36.60000113.6V119 M120T116-V119 PolarHBondContact O-N 3.04Å; T116-M120 HydrophobicContact CG2-CE 4.44Å; T116-M120 VanDerWaalsContact O-CG 3.32Å; T116-M120 WeakPolarHBondContact O-CG 3.15Å; T116-M120 PolarHBondContact O-N 3.3Å
117R71.4Confident73.5Confident171 Ų17166 Ų6665%0.64535%0.347SS*.Hα-helixtrans-69.8-36.1177.3-65.5-172.6-179.7167.5-3112.2W113 K114 G115 V119 M120 V121W113-R117 HydrophobicContact CB-CB 3.99Å; W113-R117 HydrophobicContact CD2-CB 4.24Å; W113-R117 HydrophobicContact CE3-CB 3.84Å; W113-R117 VanDerWaalsContact CE3-CD 3.42Å; W113-R117 HydrophobicContact CE3-CG 4.25Å; W113-R117 HydrophobicContact CG-CB 4.35Å; K114-R117 PolarHBondContact O-N 3.35Å; G115-R117 PolarHBondContact O-N 3.04Å; G115-R117 VanDerWaalsContact O-N 3.1Å; R117-V119 VanDerWaalsContact C-N 3.33Å; R117-M120 PolarHBondContact O-N 2.96Å; R117-V121 WeakPolarHBondContact O-CG2 3.21Å; R117-V121 PolarHBondContact O-N 2.96Å; R117-V121 VanDerWaalsContact O-N 3.08Å
118A72.1Confident73.5Confident0 Ų073.5 Ų73.50%038%0.378CS..Hα-helixtrans-64.4-39.517400000111.6F92 I105 W113 G115 V121 R122F92-A118 HydrophobicContact CE1-CB 4.13Å; F92-A118 HydrophobicContact CZ-CB 4.15Å; I105-A118 HydrophobicContact CB-CB 4.03Å; I105-A118 HydrophobicContact CD1-CB 3.83Å; I105-A118 HydrophobicContact CG1-CB 4.03Å; W113-A118 HydrophobicContact CB-CB 4.37Å; W113-A118 WeakPolarHBondContact O-CB 3.47Å; G115-A118 WeakPolarHBondContact O-CA 3.33Å; G115-A118 VanDerWaalsContact O-CB 3.25Å; G115-A118 WeakPolarHBondContact O-CB 3.45Å; G115-A118 PolarHBondContact O-N 3.02Å; A118-V121 PolarHBondContact O-N 3.5Å; A118-R122 PolarHBondContact O-N 3.47Å
119V71.3Confident73.8Confident25 Ų2574.5 Ų74.515%0.15237%0.372CS..Hα-helixtrans-63.5-45.2173.8173.50000111.2F92 G115 T116 R117 V121 R122 F123F92-V119 HydrophobicContact CZ-CG2 4.26Å; G115-V119 PolarHBondContact O-N 3.22Å; G115-V119 VanDerWaalsContact O-N 3.14Å; T116-V119 PolarHBondContact O-N 3.04Å; R117-V119 VanDerWaalsContact C-N 3.33Å; V119-V121 VanDerWaalsContact C-N 3.31Å; V119-V121 PolarHBondContact O-N 3.22Å; V119-R122 WeakPolarHBondContact O-CA 3.43Å; V119-R122 WeakPolarHBondContact O-CB 3.46Å; V119-R122 PolarHBondContact O-N 3.1Å; V119-F123 HydrophobicContact CG1-CD2 3.77Å; V119-F123 HydrophobicContact CG1-CE2 3.37Å; V119-F123 HydrophobicContact CG1-CZ 4.39Å; V119-F123 WeakPolarHBondContact O-CD2 3.4Å; V119-F123 PolarHBondContact O-N 3.16Å
120M73.5Confident74.2Confident97 Ų9770 Ų7048%0.47835%0.347SS..Hα-helixtrans-61.4-35.2175.8-68.2-63171.500113.1T116 R117 R122 F123 N124T116-M120 HydrophobicContact CG2-CE 4.44Å; T116-M120 VanDerWaalsContact O-CG 3.32Å; T116-M120 WeakPolarHBondContact O-CG 3.15Å; T116-M120 PolarHBondContact O-N 3.3Å; R117-M120 PolarHBondContact O-N 2.96Å; M120-R122 PolarHBondContact O-N 3.48Å; M120-F123 PolarHBondContact O-N 3.08Å; M120-F123 HydrophobicContact SD-CD2 4.48Å; M120-N124 WeakPolarHBondContact O-CB 3.35Å; M120-N124 VanDerWaalsContact O-CG 3.29Å; M120-N124 PolarHBondContact O-N 3.01Å; M120-N124 PolarHBondContact O-ND2 3.38Å
121V74Confident74.5Confident14 Ų1475.1 Ų75.19%0.08537%0.366CS..Hα-helixtrans-62.7-30.2172.8171.70000112.1I105 W113 R117 A118 V119 Q125I105-V121 HydrophobicContact CG2-CB 4.4Å; I105-V121 HydrophobicContact CG2-CG1 3.93Å; W113-V121 HydrophobicContact CG-CG2 4.17Å; R117-V121 WeakPolarHBondContact O-CG2 3.21Å; R117-V121 PolarHBondContact O-N 2.96Å; R117-V121 VanDerWaalsContact O-N 3.08Å; A118-V121 PolarHBondContact O-N 3.5Å; V119-V121 VanDerWaalsContact C-N 3.31Å; V119-V121 PolarHBondContact O-N 3.22Å; V121-Q125 WeakPolarHBondContact O-CG 3.48Å; V121-Q125 PolarHBondContact O-N 3.41Å
122R68.9Low74.7Confident21 Ų2172.7 Ų72.78%0.07936%0.363CS..Hα-helixtrans-77.9-39.3173-63.1-57.9-178.3-165.8-7.3113.1I105 A118 V119 M120 N124 Q125 L126I105-R122 HydrophobicContact CD1-CG 4.19Å; A118-R122 PolarHBondContact O-N 3.47Å; V119-R122 WeakPolarHBondContact O-CA 3.43Å; V119-R122 WeakPolarHBondContact O-CB 3.46Å; V119-R122 PolarHBondContact O-N 3.1Å; M120-R122 PolarHBondContact O-N 3.48Å; R122-N124 VanDerWaalsContact C-N 3.27Å; R122-N124 PolarHBondContact O-N 3.3Å; R122-Q125 VanDerWaalsContact CD-OE1 3.29Å; R122-Q125 CarbonylContact O-C 3.57Å; R122-Q125 WeakPolarHBondContact O-CA 3.49Å; R122-Q125 WeakPolarHBondContact O-CB 3.07Å; R122-Q125 PolarHBondContact O-N 3.19Å; R122-L126 PolarHBondContact O-N 3.43Å
123F72.5Confident75.2Confident34 Ų3469.9 Ų69.915%0.14935%0.349CS..Hα-helixtrans-61.6-37.1171.2-72.9-58.9000111.7F84 A87 V119 M120 Q125 L126 I127F84-F123 HydrophobicContact CB-CZ 4.47Å; F84-F123 AromaticContact CD2-CE1 3.93Å; F84-F123 HydrophobicContact CD2-CE1 3.93Å; F84-F123 AromaticContact CD2-CE2 3.73Å; F84-F123 HydrophobicContact CD2-CE2 3.73Å; F84-F123 AromaticContact CD2-CZ 3.33Å; F84-F123 HydrophobicContact CD2-CZ 3.33Å; F84-F123 AromaticContact CE2-CE2 3.76Å; F84-F123 HydrophobicContact CE2-CE2 3.76Å; F84-F123 AromaticContact CE2-CZ 3.88Å; F84-F123 HydrophobicContact CE2-CZ 3.88Å; F84-F123 HydrophobicContact CG-CZ 4.24Å; A87-F123 HydrophobicContact CB-CZ 3.9Å; V119-F123 HydrophobicContact CG1-CD2 3.77Å; V119-F123 HydrophobicContact CG1-CE2 3.37Å; V119-F123 HydrophobicContact CG1-CZ 4.39Å; V119-F123 WeakPolarHBondContact O-CD2 3.4Å; V119-F123 PolarHBondContact O-N 3.16Å; M120-F123 PolarHBondContact O-N 3.08Å; M120-F123 HydrophobicContact SD-CD2 4.48Å; F123-Q125 PolarHBondContact O-N 2.77Å; F123-L126 HydrophobicContact CD1-CD2 4.03Å; F123-L126 HydrophobicContact CE1-CD2 4.4Å; F123-L126 WeakPolarHBondContact O-CB 3.11Å; F123-L126 PolarHBondContact O-N 3.39Å; F123-I127 WeakPolarHBondContact O-CB 3.4Å; F123-I127 WeakPolarHBondContact O-CD1 3.47Å; F123-I127 VanDerWaalsContact O-CG1 3.23Å; F123-I127 WeakPolarHBondContact O-CG1 3.49Å; F123-I127 PolarHBondContact O-N 3.31Å
124N73.2Confident76Confident91 Ų9166.6 Ų66.649%0.48734%0.336SS..Hα-helixtrans-63.6-21.9170.9-71.3-20.6000114M120 R122 K128M120-N124 WeakPolarHBondContact O-CB 3.35Å; M120-N124 VanDerWaalsContact O-CG 3.29Å; M120-N124 PolarHBondContact O-N 3.01Å; M120-N124 PolarHBondContact O-ND2 3.38Å; R122-N124 VanDerWaalsContact C-N 3.27Å; R122-N124 PolarHBondContact O-N 3.3Å; N124-K128 VanDerWaalsContact O-CG 3.3Å; N124-K128 WeakPolarHBondContact O-CG 3.32Å; N124-K128 PolarHBondContact O-N 2.91Å
125Q70.4Confident76.9Confident47 Ų4761.5 Ų61.522%0.2231%0.313CS..Hα-helixtrans-85.2-37.9172-71.5172.4-4.600112.1V121 R122 F123 K128 K129V121-Q125 WeakPolarHBondContact O-CG 3.48Å; V121-Q125 PolarHBondContact O-N 3.41Å; R122-Q125 VanDerWaalsContact CD-OE1 3.29Å; R122-Q125 CarbonylContact O-C 3.57Å; R122-Q125 WeakPolarHBondContact O-CA 3.49Å; R122-Q125 WeakPolarHBondContact O-CB 3.07Å; R122-Q125 PolarHBondContact O-N 3.19Å; F123-Q125 PolarHBondContact O-N 2.77Å; Q125-K128 PolarHBondContact O-N 2.83Å; Q125-K129 WeakPolarHBondContact O-CB 3.42Å; Q125-K129 PolarHBondContact O-N 2.99Å
126L73.4Confident78.1Confident13 Ų1361.7 Ų61.77%0.06831%0.307CS..Hα-helixtrans-56.6-50.4169.5-179.669000110.2R122 F123 K128 K129 F130 F134 F156R122-L126 PolarHBondContact O-N 3.43Å; F123-L126 HydrophobicContact CD1-CD2 4.03Å; F123-L126 HydrophobicContact CE1-CD2 4.4Å; F123-L126 WeakPolarHBondContact O-CB 3.11Å; F123-L126 PolarHBondContact O-N 3.39Å; L126-K128 PolarHBondContact O-N 2.89Å; L126-K129 PolarHBondContact O-N 2.94Å; L126-F130 HydrophobicContact CD1-CB 4.08Å; L126-F130 HydrophobicContact CD1-CD2 4.06Å; L126-F130 HydrophobicContact CD1-CG 4.42Å; L126-F130 WeakPolarHBondContact O-CA 3.49Å; L126-F130 PolarHBondContact O-N 2.89Å; L126-F134 HydrophobicContact CD1-CB 4.24Å; L126-F134 HydrophobicContact CD1-CD2 4.26Å; L126-F134 HydrophobicContact CD2-CB 4.49Å; L126-F156 HydrophobicContact CB-CE1 4.03Å; L126-F156 HydrophobicContact CD1-CE1 3.79Å; L126-F156 HydrophobicContact CD1-CZ 3.51Å
127I70.1Confident79.3Confident92 Ų9256.7 Ų56.747%0.47228%0.276SS..Hα-helixtrans-53.7-50.2176.9-69.4162.4000111.2F123 D131 G132F123-I127 WeakPolarHBondContact O-CB 3.4Å; F123-I127 WeakPolarHBondContact O-CD1 3.47Å; F123-I127 VanDerWaalsContact O-CG1 3.23Å; F123-I127 WeakPolarHBondContact O-CG1 3.49Å; F123-I127 PolarHBondContact O-N 3.31Å; I127-D131 PolarHBondContact O-N 3.05Å; I127-G132 PolarHBondContact O-N 3.01Å
128K77.9Confident80.2Confident169 Ų16948.5 Ų48.574%0.73525%0.245SC*.Hα-helixtrans-74.2-23-176-73.6-179.9178.3-171.60115.5N124 Q125 L126N124-K128 VanDerWaalsContact O-CG 3.3Å; N124-K128 WeakPolarHBondContact O-CG 3.32Å; N124-K128 PolarHBondContact O-N 2.91Å; Q125-K128 PolarHBondContact O-N 2.83Å; L126-K128 PolarHBondContact O-N 2.89Å
129K82Confident81.1Confident130 Ų13053.6 Ų53.657%0.56527%0.267SS*.Hα-helixtrans-105.8-26.4-176.4-77.7-174.8163.4-172.30114.5Q125 L126 N155Q125-K129 WeakPolarHBondContact O-CB 3.42Å; Q125-K129 PolarHBondContact O-N 2.99Å; L126-K129 PolarHBondContact O-N 2.94Å; K129-N155 WeakPolarHBondContact CD-OD1 3.3Å; K129-N155 PolarHBondContact NZ-OD1 2.92Å
130F88.1Confident82.1Confident14 Ų1459.3 Ų59.36%0.06129%0.29CS..Hα-helixtrans-135.326.5-169.6-56.7-80000112L126 G132 S133 N136 C137 K140 L151 N155 F156L126-F130 HydrophobicContact CD1-CB 4.08Å; L126-F130 HydrophobicContact CD1-CD2 4.06Å; L126-F130 HydrophobicContact CD1-CG 4.42Å; L126-F130 WeakPolarHBondContact O-CA 3.49Å; L126-F130 PolarHBondContact O-N 2.89Å; F130-G132 VanDerWaalsContact C-N 3.35Å; F130-G132 PolarHBondContact O-N 3.43Å; F130-S133 PolarHBondContact O-N 2.92Å; F130-S133 VanDerWaalsContact O-N 3.14Å; F130-S133 VanDerWaalsContact O-O 3.09Å; F130-N136 HydrophobicContact CB-CB 4.22Å; F130-N136 WeakPolarHBondContact O-CB 3.31Å; F130-N136 PolarHBondContact O-ND2 3.47Å; F130-C137 VanDerWaalsContact CD1-SG 3.51Å; F130-C137 VanDerWaalsContact CG-SG 3.56Å; F130-K140 HydrophobicContact CE1-CD 4.28Å; F130-L151 HydrophobicContact CE1-CD1 4.32Å; F130-L151 HydrophobicContact CE1-CD2 4.04Å; F130-L151 HydrophobicContact CE1-CG 4.43Å; F130-L151 HydrophobicContact CZ-CD1 4.18Å; F130-L151 HydrophobicContact CZ-CD2 4.38Å; F130-L151 HydrophobicContact CZ-CG 4.31Å; F130-N155 HydrophobicContact CE2-CB 3.93Å; F130-N155 HydrophobicContact CZ-CB 4.1Å; F130-F156 HydrophobicContact CD2-CE1 4.41Å; F130-F156 AromaticContact CD2-CZ 3.7Å; F130-F156 HydrophobicContact CD2-CZ 3.7Å; F130-F156 HydrophobicContact CE2-CE1 4.29Å; F130-F156 HydrophobicContact CE2-CE2 4.13Å; F130-F156 AromaticContact CE2-CZ 3.52Å; F130-F156 HydrophobicContact CE2-CZ 3.52Å; F130-F156 HydrophobicContact CZ-CZ 4.44Å
131D86.7Confident82.8Confident144 Ų14455.6 Ų55.677%0.7727%0.273SS*.THydrogen-bonded Turntrans50.351.6173.4-166.338.2000113.1I127 S133I127-D131 PolarHBondContact O-N 3.05Å; D131-S133 PolarHBondContact O-N 3.07Å
132G84.7Confident83.5Confident41 Ų4161.6 Ų61.642%0.42330%0.304SS..THydrogen-bonded Turntrans73.6-12.6177.800000116.7I127 F130I127-G132 PolarHBondContact O-N 3.01Å; F130-G132 VanDerWaalsContact C-N 3.35Å; F130-G132 PolarHBondContact O-N 3.43Å
133S89.7Confident84.1Confident3 Ų363 Ų632%0.02131%0.313CS..  trans-123.3128-166.2-178.40000112.3D80 F130 D131 Y135 N136D80-S133 WeakPolarHBondContact OD1-CA 3.27Å; D80-S133 PolarHBondContact OD1-OG 2.77Å; D80-S133 WeakPolarHBondContact OD2-CB 3.45Å; D80-S133 PolarHBondContact OD2-OG 2.74Å; F130-S133 PolarHBondContact O-N 2.92Å; F130-S133 VanDerWaalsContact O-N 3.14Å; F130-S133 VanDerWaalsContact O-O 3.09Å; D131-S133 PolarHBondContact O-N 3.07Å; S133-Y135 VanDerWaalsContact C-N 3.27Å; S133-Y135 WeakPolarHBondContact OG-CB 3.49Å; S133-Y135 PolarHBondContact OG-N 2.84Å; S133-N136 WeakPolarHBondContact O-CB 3.19Å; S133-N136 PolarHBondContact O-N 3.26Å
134F91Very high84.6Confident0 Ų064.5 Ų64.50%032%0.323CS..THydrogen-bonded Turntrans-69.8-25.3170.6-173-96.6000112V79 D80 C83 L126 N136 C137 V138 L148 V152 F156 L179 V183V79-F134 HydrophobicContact CG1-CD1 3.89Å; D80-F134 WeakPolarHBondContact OD1-CA 3.47Å; D80-F134 PolarHBondContact OD1-N 3.37Å; C83-F134 HydrophobicContact CB-CB 3.65Å; C83-F134 HydrophobicContact CB-CD1 3.84Å; C83-F134 HydrophobicContact CB-CD2 4.27Å; C83-F134 HydrophobicContact CB-CG 3.63Å; C83-F134 VanDerWaalsContact SG-CD2 3.52Å; C83-F134 VanDerWaalsContact SG-CG 3.51Å; L126-F134 HydrophobicContact CD1-CB 4.24Å; L126-F134 HydrophobicContact CD1-CD2 4.26Å; L126-F134 HydrophobicContact CD2-CB 4.49Å; F134-N136 PolarHBondContact O-N 3Å; F134-N136 VanDerWaalsContact O-N 3.15Å; F134-C137 HydrophobicContact CD2-CB 4.12Å; F134-C137 HydrophobicContact CE2-CB 3.94Å; F134-C137 HydrophobicContact CZ-CB 4.18Å; F134-C137 WeakPolarHBondContact O-CA 3.4Å; F134-C137 WeakPolarHBondContact O-CB 3.42Å; F134-C137 PolarHBondContact O-N 2.98Å; F134-V138 HydrophobicContact CD1-CG2 4.24Å; F134-V138 HydrophobicContact CE1-CG2 4.01Å; F134-V138 PolarHBondContact O-N 2.88Å; F134-L148 HydrophobicContact CE1-CD1 4.35Å; F134-L148 HydrophobicContact CZ-CD1 3.97Å; F134-V152 HydrophobicContact CE2-CG2 3.79Å; F134-V152 HydrophobicContact CZ-CG2 3.59Å; F134-F156 AromaticContact CD2-CE2 3.99Å; F134-F156 HydrophobicContact CD2-CE2 3.99Å; F134-F156 HydrophobicContact CD2-CZ 4.33Å; F134-F156 HydrophobicContact CE2-CD2 4.18Å; F134-F156 AromaticContact CE2-CE2 3.72Å; F134-F156 HydrophobicContact CE2-CE2 3.72Å; F134-F156 HydrophobicContact CE2-CZ 4.49Å; F134-L179 HydrophobicContact CD1-CD1 4.48Å; F134-L179 HydrophobicContact CE1-CD1 4.02Å; F134-L179 HydrophobicContact CE1-CD2 4.16Å; F134-L179 HydrophobicContact CE1-CG 4.15Å; F134-L179 HydrophobicContact CE2-CD2 3.99Å; F134-L179 HydrophobicContact CZ-CD1 4.32Å; F134-L179 HydrophobicContact CZ-CD2 3.61Å; F134-L179 HydrophobicContact CZ-CG 4.05Å; F134-V183 HydrophobicContact CE1-CG2 4.11Å
135Y91.3Very high85Confident46 Ų4661.3 Ų61.318%0.1831%0.307CS..Hα-helixtrans-59-24.2170.2-175.5-117.1000113.1L75 K76 V79 D80 S133 C137 V138 K139L75-Y135 HydrophobicContact CD2-CE2 3.74Å; L75-Y135 HydrophobicContact CG-CD2 4.43Å; L75-Y135 HydrophobicContact CG-CE2 3.86Å; K76-Y135 HydrophobicContact CB-CD1 3.76Å; K76-Y135 HydrophobicContact CB-CE1 4.35Å; K76-Y135 HydrophobicContact CB-CG 4.12Å; K76-Y135 HydrophobicContact CG-CD1 3.84Å; K76-Y135 HydrophobicContact CG-CG 4.18Å; V79-Y135 HydrophobicContact CB-CD2 4.34Å; V79-Y135 HydrophobicContact CG1-CD2 4.28Å; V79-Y135 HydrophobicContact CG2-CD2 4.31Å; D80-Y135 PolarHBondContact OD1-N 3.33Å; S133-Y135 VanDerWaalsContact C-N 3.27Å; S133-Y135 WeakPolarHBondContact OG-CB 3.49Å; S133-Y135 PolarHBondContact OG-N 2.84Å; Y135-C137 VanDerWaalsContact C-N 3.31Å; Y135-C137 PolarHBondContact O-N 3.08Å; Y135-V138 HydrophobicContact CD2-CB 4.25Å; Y135-V138 PolarHBondContact O-N 2.97Å; Y135-K139 HydrophobicContact CD1-CD 4.07Å; Y135-K139 HydrophobicContact CD1-CG 4.32Å; Y135-K139 HydrophobicContact CE1-CD 3.63Å; Y135-K139 HydrophobicContact CE1-CG 3.9Å; Y135-K139 HydrophobicContact CE2-CG 4.41Å; Y135-K139 PolarHBondContact O-N 3.49Å
136N92.4Very high85.6Confident38 Ų3859.8 Ų59.820%0.20330%0.3CS..Hα-helixtrans-69.4-25.6170.5-69.9-32.6000113F130 S133 F134 K139 K140F130-N136 HydrophobicContact CB-CB 4.22Å; F130-N136 WeakPolarHBondContact O-CB 3.31Å; F130-N136 PolarHBondContact O-ND2 3.47Å; S133-N136 WeakPolarHBondContact O-CB 3.19Å; S133-N136 PolarHBondContact O-N 3.26Å; F134-N136 PolarHBondContact O-N 3Å; F134-N136 VanDerWaalsContact O-N 3.15Å; N136-K139 WeakPolarHBondContact OD1-CE 3.29Å; N136-K139 PolarHBondContact OD1-NZ 3.46Å; N136-K140 VanDerWaalsContact O-CB 3.27Å; N136-K140 WeakPolarHBondContact O-CB 3.41Å; N136-K140 PolarHBondContact O-N 3.45Å; N136-K140 VanDerWaalsContact O-N 3.1Å
137C91.7Very high86.3Confident0 Ų062.3 Ų62.30%031%0.312CS..Hα-helixtrans-65.2-48.1168.1-55.30000110.7F130 F134 Y135 K140 V141 L148 L151F130-C137 VanDerWaalsContact CD1-SG 3.51Å; F130-C137 VanDerWaalsContact CG-SG 3.56Å; F134-C137 HydrophobicContact CD2-CB 4.12Å; F134-C137 HydrophobicContact CE2-CB 3.94Å; F134-C137 HydrophobicContact CZ-CB 4.18Å; F134-C137 WeakPolarHBondContact O-CA 3.4Å; F134-C137 WeakPolarHBondContact O-CB 3.42Å; F134-C137 PolarHBondContact O-N 2.98Å; Y135-C137 VanDerWaalsContact C-N 3.31Å; Y135-C137 PolarHBondContact O-N 3.08Å; C137-K140 WeakPolarHBondContact O-CB 3.22Å; C137-K140 PolarHBondContact O-N 3.03Å; C137-K140 VanDerWaalsContact O-N 3.16Å; C137-V141 PolarHBondContact O-N 2.99Å; C137-L148 HydrophobicContact CB-CD1 4.01Å; C137-L151 HydrophobicContact CB-CD2 3.84Å
138V90.6Very high87.2Confident0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-61.3-46.3-178.2-172.70000111.3V79 F134 Y135 K140 V141 N142 N143 L148 V183 L187V79-V138 HydrophobicContact CG1-CG2 4.04Å; F134-V138 HydrophobicContact CD1-CG2 4.24Å; F134-V138 HydrophobicContact CE1-CG2 4.01Å; F134-V138 PolarHBondContact O-N 2.88Å; Y135-V138 HydrophobicContact CD2-CB 4.25Å; Y135-V138 PolarHBondContact O-N 2.97Å; V138-K140 PolarHBondContact O-N 2.74Å; V138-V141 VanDerWaalsContact O-CG2 3.29Å; V138-V141 WeakPolarHBondContact O-CG2 3.45Å; V138-V141 PolarHBondContact O-N 2.99Å; V138-N142 PolarHBondContact O-N 3.15Å; V138-N143 PolarHBondContact O-N 3.45Å; V138-N143 VanDerWaalsContact O-N 3.12Å; V138-L148 HydrophobicContact CG2-CD1 4.19Å; V138-L148 HydrophobicContact CG2-CD2 4.07Å; V138-V183 HydrophobicContact CG1-CG1 3.84Å; V138-V183 HydrophobicContact CG2-CG1 3.79Å; V138-V183 HydrophobicContact CG2-CG2 4.34Å; V138-L187 HydrophobicContact CG1-CD1 4.21Å
139K90.5Very high87.5Confident107 Ų10750.1 Ų50.147%0.46526%0.256SS..Hα-helixtrans-62-40.5172.7-72.2-176-65.8175.40113.2Y135 N136 V141 N142Y135-K139 HydrophobicContact CD1-CD 4.07Å; Y135-K139 HydrophobicContact CD1-CG 4.32Å; Y135-K139 HydrophobicContact CE1-CD 3.63Å; Y135-K139 HydrophobicContact CE1-CG 3.9Å; Y135-K139 HydrophobicContact CE2-CG 4.41Å; Y135-K139 PolarHBondContact O-N 3.49Å; N136-K139 WeakPolarHBondContact OD1-CE 3.29Å; N136-K139 PolarHBondContact OD1-NZ 3.46Å; K139-V141 PolarHBondContact O-N 3Å; K139-N142 PolarHBondContact O-N 3.2Å; K139-N142 VanDerWaalsContact O-N 3.08Å
140K91.4Very high87.9Confident144 Ų14444.1 Ų44.163%0.62623%0.23SC*.Hα-helixtrans-60.6-30.7-178.4-179.7-178.8175.9-168.70112.4F130 N136 C137 V138 L151F130-K140 HydrophobicContact CE1-CD 4.28Å; N136-K140 VanDerWaalsContact O-CB 3.27Å; N136-K140 WeakPolarHBondContact O-CB 3.41Å; N136-K140 PolarHBondContact O-N 3.45Å; N136-K140 VanDerWaalsContact O-N 3.1Å; C137-K140 WeakPolarHBondContact O-CB 3.22Å; C137-K140 PolarHBondContact O-N 3.03Å; C137-K140 VanDerWaalsContact O-N 3.16Å; V138-K140 PolarHBondContact O-N 2.74Å; K140-L151 HydrophobicContact CB-CD2 4.45Å; K140-L151 HydrophobicContact CD-CD1 4.23Å; K140-L151 HydrophobicContact CD-CD2 4.09Å
141V88.3Confident88Confident20 Ų2044 Ų4412%0.12123%0.23CC..THydrogen-bonded Turntrans-99.410.3179.3-55.80000113.1C137 V138 K139 N143 D144 Q147 L148 L151C137-V141 PolarHBondContact O-N 2.99Å; V138-V141 VanDerWaalsContact O-CG2 3.29Å; V138-V141 WeakPolarHBondContact O-CG2 3.45Å; V138-V141 PolarHBondContact O-N 2.99Å; K139-V141 PolarHBondContact O-N 3Å; V141-N143 PolarHBondContact O-N 3.39Å; V141-D144 WeakPolarHBondContact O-CB 3.46Å; V141-D144 PolarHBondContact O-N 2.85Å; V141-D144 VanDerWaalsContact O-N 3.08Å; V141-Q147 HydrophobicContact CB-CB 3.81Å; V141-Q147 HydrophobicContact CG1-CB 3.99Å; V141-L148 HydrophobicContact CG2-CB 3.83Å; V141-L148 HydrophobicContact CG2-CD1 4.07Å; V141-L148 HydrophobicContact CG2-CG 4.48Å; V141-L151 HydrophobicContact CG1-CB 4.1Å; V141-L151 HydrophobicContact CG1-CD2 3.72Å; V141-L151 HydrophobicContact CG1-CG 4.49Å
142N87.9Confident88Confident140 Ų14037.1 Ų37.175%0.74919%0.193SC*.THydrogen-bonded Turntrans50.943.1-179-16672.5000112.9V138 K139 D144V138-N142 PolarHBondContact O-N 3.15Å; K139-N142 PolarHBondContact O-N 3.2Å; K139-N142 VanDerWaalsContact O-N 3.08Å; N142-D144 PolarHBondContact O-N 2.84Å; N142-D144 VanDerWaalsContact O-N 3.11Å
143N82.9Confident88.1Confident49 Ų4935.1 Ų35.126%0.26217%0.173SC..THydrogen-bonded Turntrans634.5-178.4-48.9-20.3000116.3V138 V141 P145 L187 I192V138-N143 PolarHBondContact O-N 3.45Å; V138-N143 VanDerWaalsContact O-N 3.12Å; V141-N143 PolarHBondContact O-N 3.39Å; N143-P145 WeakPolarHBondContact O-CD 3.36Å; N143-L187 HydrophobicContact CB-CD1 4.09Å; N143-I192 VanDerWaalsContact ND2-CG2 3.34Å; N143-I192 WeakPolarHBondContact ND2-CG2 3.48Å
144D83.1Confident87.9Confident67 Ų6738.7 Ų38.736%0.35819%0.189SC..  trans-62.5120.4174.7176-34.8000110.2V141 N142 M146 Q147 L148V141-D144 WeakPolarHBondContact O-CB 3.46Å; V141-D144 PolarHBondContact O-N 2.85Å; V141-D144 VanDerWaalsContact O-N 3.08Å; N142-D144 PolarHBondContact O-N 2.84Å; N142-D144 VanDerWaalsContact O-N 3.11Å; D144-M146 VanDerWaalsContact C-N 3.34Å; D144-M146 PolarHBondContact O-N 3.32Å; D144-M146 WeakPolarHBondContact OD1-CA 3.46Å; D144-M146 PolarHBondContact OD1-N 3.12Å; D144-Q147 HydrophobicContact CB-CB 3.96Å; D144-Q147 HydrophobicContact CB-CG 4.24Å; D144-Q147 PolarHBondContact OD1-N 2.89Å; D144-Q147 WeakPolarHBondContact OD2-CG 3.46Å; D144-L148 VanDerWaalsContact O-CB 3.25Å; D144-L148 WeakPolarHBondContact O-CB 3.24Å; D144-L148 PolarHBondContact O-N 2.6Å
145P81.3Confident87.5Confident23 Ų2339.7 Ų39.715%0.14919%0.194CC..Hα-helixtrans-70.6-27.2-175.228.1-34.7000113.4N143 M149 V180 F197N143-P145 WeakPolarHBondContact O-CD 3.36Å; P145-M149 WeakPolarHBondContact O-CB 3.46Å; P145-M149 PolarHBondContact O-N 3Å; P145-V180 HydrophobicContact CB-CG1 3.51Å; P145-F197 HydrophobicContact CG-CE2 4.09Å
146M83Confident87Confident16 Ų1638 Ų388%0.07919%0.188CC..Hα-helixtrans-85.7-34.6-178.3-68.8-61.3-72.900111.8W5 C7 D144 M149 S150 F197W5-M146 HydrophobicContact CB-CE 4.08Å; W5-M146 HydrophobicContact CD2-CE 4.17Å; W5-M146 HydrophobicContact CE3-CE 3.76Å; W5-M146 HydrophobicContact CE3-SD 4.27Å; W5-M146 HydrophobicContact CG-CE 4.36Å; W5-M146 HydrophobicContact CZ3-CE 4.45Å; W5-M146 HydrophobicContact CZ3-SD 4.41Å; C7-M146 HydrophobicContact CB-CE 3.8Å; D144-M146 VanDerWaalsContact C-N 3.34Å; D144-M146 PolarHBondContact O-N 3.32Å; D144-M146 WeakPolarHBondContact OD1-CA 3.46Å; D144-M146 PolarHBondContact OD1-N 3.12Å; M146-M149 WeakPolarHBondContact O-CB 3.5Å; M146-M149 PolarHBondContact O-N 3.19Å; M146-S150 WeakPolarHBondContact O-CB 3.4Å; M146-S150 PolarHBondContact O-N 3.13Å; M146-F197 HydrophobicContact CG-CE1 4.49Å; M146-F197 HydrophobicContact CG-CE2 3.82Å; M146-F197 HydrophobicContact CG-CZ 3.79Å; M146-F197 HydrophobicContact SD-CD1 4.19Å; M146-F197 HydrophobicContact SD-CD2 3.94Å; M146-F197 HydrophobicContact SD-CE1 4Å; M146-F197 HydrophobicContact SD-CE2 3.76Å; M146-F197 HydrophobicContact SD-CG 4.18Å; M146-F197 HydrophobicContact SD-CZ 3.79Å
147Q87.4Confident86.2Confident65 Ų6537.2 Ų37.230%0.30419%0.185SC..Hα-helixtrans-70.1-35.2165.5-67.8-62-35.200111.2D8 V141 D144 S150 L151D8-Q147 PolarHBondContact OD2-NE2 3.15Å; V141-Q147 HydrophobicContact CB-CB 3.81Å; V141-Q147 HydrophobicContact CG1-CB 3.99Å; D144-Q147 HydrophobicContact CB-CB 3.96Å; D144-Q147 HydrophobicContact CB-CG 4.24Å; D144-Q147 PolarHBondContact OD1-N 2.89Å; D144-Q147 WeakPolarHBondContact OD2-CG 3.46Å; Q147-S150 PolarHBondContact O-N 2.87Å; Q147-L151 VanDerWaalsContact O-CB 3.27Å; Q147-L151 WeakPolarHBondContact O-CB 3.35Å; Q147-L151 PolarHBondContact O-N 2.77Å
148L88.7Confident85.2Confident3 Ų338.6 Ų38.62%0.01619%0.194CC..Hα-helixtrans-61.4-46.6170.2-169.755.4000110.8F134 C137 V138 V141 D144 L151 V152 V180 V183F134-L148 HydrophobicContact CE1-CD1 4.35Å; F134-L148 HydrophobicContact CZ-CD1 3.97Å; C137-L148 HydrophobicContact CB-CD1 4.01Å; V138-L148 HydrophobicContact CG2-CD1 4.19Å; V138-L148 HydrophobicContact CG2-CD2 4.07Å; V141-L148 HydrophobicContact CG2-CB 3.83Å; V141-L148 HydrophobicContact CG2-CD1 4.07Å; V141-L148 HydrophobicContact CG2-CG 4.48Å; D144-L148 VanDerWaalsContact O-CB 3.25Å; D144-L148 WeakPolarHBondContact O-CB 3.24Å; D144-L148 PolarHBondContact O-N 2.6Å; L148-L151 PolarHBondContact O-N 3.27Å; L148-V152 HydrophobicContact CD1-CG2 4.33Å; L148-V152 HydrophobicContact CG-CG2 4.4Å; L148-V152 VanDerWaalsContact O-CB 3.29Å; L148-V152 WeakPolarHBondContact O-CB 3.41Å; L148-V152 WeakPolarHBondContact O-CG2 3.4Å; L148-V152 PolarHBondContact O-N 3.39Å; L148-V180 HydrophobicContact CB-CG2 4.24Å; L148-V180 HydrophobicContact CD2-CG2 4.03Å; L148-V180 HydrophobicContact CG-CG2 3.98Å; L148-V183 HydrophobicContact CD2-CB 4.31Å; L148-V183 HydrophobicContact CD2-CG1 4Å; L148-V183 HydrophobicContact CD2-CG2 4.49Å
149M86Confident84.7Confident3 Ų338.9 Ų38.92%0.01520%0.196CC..Hα-helixtrans-54.4-53.5173.2-176.963.665.900111.1W5 P145 M146 L151 V152 L153 L173 A176 Q177 V180W5-M149 HydrophobicContact CZ3-CE 4.18Å; W5-M149 HydrophobicContact CZ3-CG 4.39Å; P145-M149 WeakPolarHBondContact O-CB 3.46Å; P145-M149 PolarHBondContact O-N 3Å; M146-M149 WeakPolarHBondContact O-CB 3.5Å; M146-M149 PolarHBondContact O-N 3.19Å; M149-L151 PolarHBondContact O-N 2.72Å; M149-V152 PolarHBondContact O-N 3.07Å; M149-L153 HydrophobicContact CG-CD1 4.19Å; M149-L153 VanDerWaalsContact O-CG 3.31Å; M149-L153 WeakPolarHBondContact O-CG 3.43Å; M149-L153 PolarHBondContact O-N 3.32Å; M149-L153 HydrophobicContact SD-CD1 4.29Å; M149-L153 HydrophobicContact SD-CG 4.32Å; M149-L173 HydrophobicContact CG-CD1 4.3Å; M149-L173 HydrophobicContact SD-CB 4.35Å; M149-L173 HydrophobicContact SD-CD1 3.89Å; M149-A176 HydrophobicContact CE-CB 4.07Å; M149-A176 HydrophobicContact SD-CB 3.46Å; M149-A176 WeakPolarHBondContact SD-CB 3.24Å; M149-Q177 HydrophobicContact CE-CB 4.38Å; M149-Q177 HydrophobicContact CE-CG 3.7Å; M149-V180 HydrophobicContact CE-CB 4.43Å; M149-V180 HydrophobicContact CE-CG2 4.05Å
150S89Confident84.1Confident4 Ų437.4 Ų37.43%0.02819%0.187CC..Hα-helixtrans-56.3-49.7179.1-166.90000111.8Y9 M146 Q147 V152 L153 E154Y9-S150 PolarHBondContact N-OG 3.23Å; M146-S150 WeakPolarHBondContact O-CB 3.4Å; M146-S150 PolarHBondContact O-N 3.13Å; Q147-S150 PolarHBondContact O-N 2.87Å; S150-V152 VanDerWaalsContact C-N 3.34Å; S150-V152 PolarHBondContact O-N 2.76Å; S150-L153 PolarHBondContact O-N 2.71Å; S150-E154 WeakPolarHBondContact O-CB 3.45Å; S150-E154 WeakPolarHBondContact O-CG 3.44Å; S150-E154 PolarHBondContact O-N 2.64Å
151L90Very high83.3Confident10 Ų1031.2 Ų31.25%0.05216%0.161CC..Hα-helixtrans-62.8-38.2178-174.971.8000112.4F130 C137 K140 V141 Q147 L148 M149 N155F130-L151 HydrophobicContact CE1-CD1 4.32Å; F130-L151 HydrophobicContact CE1-CD2 4.04Å; F130-L151 HydrophobicContact CE1-CG 4.43Å; F130-L151 HydrophobicContact CZ-CD1 4.18Å; F130-L151 HydrophobicContact CZ-CD2 4.38Å; F130-L151 HydrophobicContact CZ-CG 4.31Å; C137-L151 HydrophobicContact CB-CD2 3.84Å; K140-L151 HydrophobicContact CB-CD2 4.45Å; K140-L151 HydrophobicContact CD-CD1 4.23Å; K140-L151 HydrophobicContact CD-CD2 4.09Å; V141-L151 HydrophobicContact CG1-CB 4.1Å; V141-L151 HydrophobicContact CG1-CD2 3.72Å; V141-L151 HydrophobicContact CG1-CG 4.49Å; Q147-L151 VanDerWaalsContact O-CB 3.27Å; Q147-L151 WeakPolarHBondContact O-CB 3.35Å; Q147-L151 PolarHBondContact O-N 2.77Å; L148-L151 PolarHBondContact O-N 3.27Å; M149-L151 PolarHBondContact O-N 2.72Å; L151-N155 WeakPolarHBondContact CD1-ND2 3.16Å; L151-N155 WeakPolarHBondContact O-CB 3.43Å; L151-N155 PolarHBondContact O-N 3.48Å; L151-N155 PolarHBondContact O-ND2 2.72Å
152V87.9Confident82.9Confident0 Ų031.6 Ų31.60%016%0.162CC..Hα-helixtrans-63.8-49.1176162.60000110.6F134 L148 M149 S150 N155 F156 F159 A176 L179F134-V152 HydrophobicContact CE2-CG2 3.79Å; F134-V152 HydrophobicContact CZ-CG2 3.59Å; L148-V152 HydrophobicContact CD1-CG2 4.33Å; L148-V152 HydrophobicContact CG-CG2 4.4Å; L148-V152 VanDerWaalsContact O-CB 3.29Å; L148-V152 WeakPolarHBondContact O-CB 3.41Å; L148-V152 WeakPolarHBondContact O-CG2 3.4Å; L148-V152 PolarHBondContact O-N 3.39Å; M149-V152 PolarHBondContact O-N 3.07Å; S150-V152 VanDerWaalsContact C-N 3.34Å; S150-V152 PolarHBondContact O-N 2.76Å; V152-N155 PolarHBondContact O-N 2.81Å; V152-F156 HydrophobicContact CG2-CD2 4.41Å; V152-F156 WeakPolarHBondContact O-CA 3.28Å; V152-F156 PolarHBondContact O-N 2.86Å; V152-F159 HydrophobicContact CG1-CB 3.68Å; V152-F159 HydrophobicContact CG1-CD2 4.17Å; V152-F159 HydrophobicContact CG1-CG 3.92Å; V152-A176 HydrophobicContact CG1-CB 4.23Å; V152-L179 HydrophobicContact CG1-CD2 4.25Å; V152-L179 HydrophobicContact CG2-CD2 4.05Å
153L85.3Confident82.3Confident0 Ų025.6 Ų25.60%013%0.132CC..Hα-helixtrans-65.4-40178.4-61.4177.5000111.6Y9 L10 M149 S150 N155 R160 L173 A176Y9-L153 HydrophobicContact CD1-CB 3.66Å; Y9-L153 HydrophobicContact CD1-CD1 3.63Å; Y9-L153 HydrophobicContact CD1-CG 4.29Å; Y9-L153 HydrophobicContact CD2-CB 4.17Å; Y9-L153 HydrophobicContact CE1-CB 3.97Å; Y9-L153 HydrophobicContact CE1-CD1 4.29Å; Y9-L153 HydrophobicContact CE2-CB 4.43Å; Y9-L153 HydrophobicContact CG-CB 3.78Å; Y9-L153 HydrophobicContact CG-CD1 4.24Å; L10-L153 HydrophobicContact CD2-CD1 4.37Å; M149-L153 HydrophobicContact CG-CD1 4.19Å; M149-L153 VanDerWaalsContact O-CG 3.31Å; M149-L153 WeakPolarHBondContact O-CG 3.43Å; M149-L153 PolarHBondContact O-N 3.32Å; M149-L153 HydrophobicContact SD-CD1 4.29Å; M149-L153 HydrophobicContact SD-CG 4.32Å; S150-L153 PolarHBondContact O-N 2.71Å; L153-N155 PolarHBondContact O-N 3.07Å; L153-R160 HydrophobicContact CD2-CG 4.14Å; L153-R160 PolarHBondContact O-NE 3.36Å; L153-R160 PolarHBondContact O-NH2 2.93Å; L153-L173 HydrophobicContact CD1-CD1 3.75Å; L153-L173 HydrophobicContact CD1-CD2 3.94Å; L153-L173 HydrophobicContact CD1-CG 4.48Å; L153-L173 HydrophobicContact CD2-CD2 3.7Å; L153-L173 HydrophobicContact CG-CD2 4.48Å; L153-A176 HydrophobicContact CD2-CB 4.17Å
154E86.5Confident82.2Confident77 Ų7729.3 Ų29.336%0.3615%0.151SC..Hα-helixtrans-59.8-42.9174.9-78.4-170.7166.600112.4Y9 R12 S150 R160Y9-E154 HydrophobicContact CD2-CG 3.69Å; Y9-E154 HydrophobicContact CE2-CG 4.35Å; R12-E154 IonicContact CZ-OE1 3.73Å; R12-E154 IonicContact NH1-OE1 2.73Å; R12-E154 PolarHBondContact NH1-OE1 2.89Å; R12-E154 IonicContact NH2-OE1 3.85Å; S150-E154 WeakPolarHBondContact O-CB 3.45Å; S150-E154 WeakPolarHBondContact O-CG 3.44Å; S150-E154 PolarHBondContact O-N 2.64Å; E154-R160 PolarHBondContact O-NH2 3.19Å; E154-R160 VanDerWaalsContact O-NH2 3.16Å
155N83.4Confident81.8Confident21 Ų2127.4 Ų27.411%0.11214%0.138CC..Hα-helixtrans-105.4-24.1-165.6-67.8-84.1000115.8K129 F130 L151 V152 L153 P157K129-N155 WeakPolarHBondContact CD-OD1 3.3Å; K129-N155 PolarHBondContact NZ-OD1 2.92Å; F130-N155 HydrophobicContact CE2-CB 3.93Å; F130-N155 HydrophobicContact CZ-CB 4.1Å; L151-N155 WeakPolarHBondContact CD1-ND2 3.16Å; L151-N155 WeakPolarHBondContact O-CB 3.43Å; L151-N155 PolarHBondContact O-N 3.48Å; L151-N155 PolarHBondContact O-ND2 2.72Å; V152-N155 PolarHBondContact O-N 2.81Å; L153-N155 PolarHBondContact O-N 3.07Å; N155-P157 WeakPolarHBondContact O-CD 2.94Å
156F80.7Confident82Confident11 Ų1131 Ų315%0.04815%0.152CC..  trans-124.681.2-177.1-49.6-67.4000110.4L126 F130 F134 V152 C158 F159L126-F156 HydrophobicContact CB-CE1 4.03Å; L126-F156 HydrophobicContact CD1-CE1 3.79Å; L126-F156 HydrophobicContact CD1-CZ 3.51Å; F130-F156 HydrophobicContact CD2-CE1 4.41Å; F130-F156 AromaticContact CD2-CZ 3.7Å; F130-F156 HydrophobicContact CD2-CZ 3.7Å; F130-F156 HydrophobicContact CE2-CE1 4.29Å; F130-F156 HydrophobicContact CE2-CE2 4.13Å; F130-F156 AromaticContact CE2-CZ 3.52Å; F130-F156 HydrophobicContact CE2-CZ 3.52Å; F130-F156 HydrophobicContact CZ-CZ 4.44Å; F134-F156 AromaticContact CD2-CE2 3.99Å; F134-F156 HydrophobicContact CD2-CE2 3.99Å; F134-F156 HydrophobicContact CD2-CZ 4.33Å; F134-F156 HydrophobicContact CE2-CD2 4.18Å; F134-F156 AromaticContact CE2-CE2 3.72Å; F134-F156 HydrophobicContact CE2-CE2 3.72Å; F134-F156 HydrophobicContact CE2-CZ 4.49Å; V152-F156 HydrophobicContact CG2-CD2 4.41Å; V152-F156 WeakPolarHBondContact O-CA 3.28Å; V152-F156 PolarHBondContact O-N 2.86Å; F156-C158 PolarHBondContact O-N 3.06Å; F156-F159 HydrophobicContact CB-CD2 3.6Å; F156-F159 HydrophobicContact CB-CE2 4.12Å; F156-F159 PolarHBondContact O-N 3.19Å
157P74.6Confident82.1Confident21 Ų2133.6 Ų33.614%0.13618%0.182CC..G310 helixtrans-58.6-15.9-177-27.135.7000115.5F96 N155 F159 R160F96-P157 HydrophobicContact CD2-CB 3.75Å; F96-P157 HydrophobicContact CE2-CB 3.39Å; F96-P157 HydrophobicContact CE2-CG 3.79Å; N155-P157 WeakPolarHBondContact O-CD 2.94Å; P157-F159 PolarHBondContact O-N 3.02Å; P157-R160 WeakPolarHBondContact O-CB 3.42Å; P157-R160 PolarHBondContact O-N 3.08Å; P157-R160 VanDerWaalsContact O-N 3.11Å
158C71.5Confident81.9Confident30 Ų3032.9 Ų32.920%0.20318%0.179CC..G310 helixtrans-64.6-14.9170.750.80000113.8F90 F156F90-C158 HydrophobicContact CE2-CB 3.65Å; F90-C158 WeakPolarHBondContact CE2-O 3.49Å; F90-C158 HydrophobicContact CZ-CB 3.56Å; F90-C158 WeakPolarHBondContact CZ-O 3.49Å; F156-C158 PolarHBondContact O-N 3.06Å
159F78.6Confident81.8Confident5 Ų536.8 Ų36.82%0.02220%0.196CC..G310 helixtrans-98.51172.8-66.1-86.2000113.2C86 A87 V152 F156 P157 D161 K175 A176 L179C86-F159 HydrophobicContact CB-CE1 3.89Å; C86-F159 HydrophobicContact CB-CZ 4.17Å; A87-F159 HydrophobicContact CB-CZ 4.33Å; V152-F159 HydrophobicContact CG1-CB 3.68Å; V152-F159 HydrophobicContact CG1-CD2 4.17Å; V152-F159 HydrophobicContact CG1-CG 3.92Å; F156-F159 HydrophobicContact CB-CD2 3.6Å; F156-F159 HydrophobicContact CB-CE2 4.12Å; F156-F159 PolarHBondContact O-N 3.19Å; P157-F159 PolarHBondContact O-N 3.02Å; F159-D161 VanDerWaalsContact C-N 3.31Å; F159-D161 PolarHBondContact O-N 2.82Å; F159-K175 HydrophobicContact CD1-CB 3.98Å; F159-K175 HydrophobicContact CE1-CB 4.43Å; F159-A176 HydrophobicContact CB-CB 3.95Å; F159-L179 HydrophobicContact CD1-CD2 4.19Å; F159-L179 HydrophobicContact CE1-CB 4.14Å; F159-L179 HydrophobicContact CE1-CD2 3.76Å; F159-L179 HydrophobicContact CE2-CD2 4.21Å; F159-L179 HydrophobicContact CZ-CD2 3.78Å
160R78Confident81.6Confident77 Ų7736.7 Ų36.729%0.29120%0.195SC..  trans-79.881.9173.4-64.7174.9-169-178.20.1110Y9 L153 E154 P157 I162Y9-R160 VanDerWaalsContact OH-CZ 3.23Å; Y9-R160 PolarHBondContact OH-NE 3.14Å; Y9-R160 PolarHBondContact OH-NH1 3.39Å; L153-R160 HydrophobicContact CD2-CG 4.14Å; L153-R160 PolarHBondContact O-NE 3.36Å; L153-R160 PolarHBondContact O-NH2 2.93Å; E154-R160 PolarHBondContact O-NH2 3.19Å; E154-R160 VanDerWaalsContact O-NH2 3.16Å; P157-R160 WeakPolarHBondContact O-CB 3.42Å; P157-R160 PolarHBondContact O-N 3.08Å; P157-R160 VanDerWaalsContact O-N 3.11Å; R160-I162 VanDerWaalsContact C-N 3.27Å; R160-I162 HydrophobicContact CB-CD1 3.89Å; R160-I162 HydrophobicContact CB-CG1 4.04Å; R160-I162 HydrophobicContact CG-CD1 4.06Å; R160-I162 PolarHBondContact O-N 2.66Å
161D75.8Confident81.3Confident14 Ų1436.5 Ų36.58%0.07519%0.194CC..  trans-79.780.4165.2-169.680.3000104.9F159 F172 L173 L174 G200 E201 R208F159-D161 VanDerWaalsContact C-N 3.31Å; F159-D161 PolarHBondContact O-N 2.82Å; D161-F172 WeakPolarHBondContact O-CB 3.44Å; D161-F172 WeakPolarHBondContact OD2-CB 3.46Å; D161-L173 PolarHBondContact O-N 2.85Å; D161-L173 VanDerWaalsContact O-N 3.13Å; D161-L173 PolarHBondContact OD2-N 3.15Å; D161-L174 PolarHBondContact OD2-N 3.04Å; D161-G200 WeakPolarHBondContact OD2-CA 3.31Å; D161-E201 VanDerWaalsContact C-CG 3.43Å; D161-E201 VanDerWaalsContact C-OE1 3.27Å; D161-E201 VanDerWaalsContact CA-OE1 3.27Å; D161-E201 WeakPolarHBondContact CA-OE1 3.43Å; D161-E201 HydrophobicContact CB-CB 4.11Å; D161-E201 HydrophobicContact CB-CG 4.4Å; D161-E201 WeakPolarHBondContact OD1-CB 3.37Å; D161-E201 WeakPolarHBondContact OD2-CB 3.28Å; D161-E201 PolarHBondContact OD2-N 3.03Å; D161-E201 VanDerWaalsContact OD2-N 3.07Å; D161-R208 IonicContact OD1-CZ 3.74Å; D161-R208 IonicContact OD1-NH1 3.56Å; D161-R208 PolarHBondContact OD1-NH1 3.41Å; D161-R208 IonicContact OD1-NH2 2.83Å; D161-R208 IonicContact OD2-NH1 2.68Å; D161-R208 PolarHBondContact OD2-NH1 2.97Å
162I79.5Confident80.5Confident27 Ų2736 Ų3614%0.13819%0.192CC..EExtended strand (participates in β ladder)trans-146.3126.7-169.4-53-178.8000110.5Y9 I15 R160 V170 L173 E201Y9-I162 HydrophobicContact CE1-CD1 3.88Å; I15-I162 HydrophobicContact CD1-CD1 4.14Å; I15-I162 HydrophobicContact CD1-CG2 4.21Å; I15-I162 HydrophobicContact CG2-CG2 4.02Å; R160-I162 VanDerWaalsContact C-N 3.27Å; R160-I162 HydrophobicContact CB-CD1 3.89Å; R160-I162 HydrophobicContact CB-CG1 4.04Å; R160-I162 HydrophobicContact CG-CD1 4.06Å; R160-I162 PolarHBondContact O-N 2.66Å; I162-V170 WeakPolarHBondContact CA-O 3.37Å; I162-L173 HydrophobicContact CD1-CD2 4.14Å; I162-L173 HydrophobicContact CG1-CD2 3.8Å; I162-E201 PolarHBondContact N-OE1 2.59Å
163A75.9Confident80Confident15 Ų1536 Ų3612%0.12419%0.192CC..EExtended strand (participates in β ladder)trans-129.5172.9-17900000113.5K169 V170 E201 P202A163-K169 WeakPolarHBondContact O-CA 3Å; A163-V170 HydrophobicContact CB-CG2 4.14Å; A163-V170 PolarHBondContact N-O 3.16Å; A163-V170 WeakPolarHBondContact O-CG2 3.43Å; A163-V170 PolarHBondContact O-N 3.45Å; A163-E201 HydrophobicContact CB-CG 4.33Å; A163-P202 HydrophobicContact CB-CB 4.13Å
164I79.1Confident79.4Confident127 Ų12737.8 Ų37.865%0.65120%0.201SC*.EExtended strand (participates in β ladder)trans-108.9115.5165.4-58.6175.9000107.5Q168 K169I164-Q168 CarbonylContact C-O 3.44Å; I164-Q168 WeakPolarHBondContact CA-O 3.21Å; I164-K169 HydrophobicContact CG1-CG 4.46Å
165Y76.3Confident78.8Confident26 Ų2637.3 Ų37.310%0.10220%0.198CC..EExtended strand (participates in β ladder)trans-120.1123.7178.2178.6-89.3000109.2Y24 I25 N28 G167 Q168 V205 E206Y24-Y165 HydrophobicContact CE1-CD1 4.09Å; I25-Y165 HydrophobicContact CB-CD1 4.45Å; I25-Y165 HydrophobicContact CB-CE1 4.24Å; I25-Y165 HydrophobicContact CD1-CD1 4.42Å; I25-Y165 HydrophobicContact CG1-CD1 3.41Å; I25-Y165 VanDerWaalsContact CG1-CD1 3.41Å; I25-Y165 HydrophobicContact CG1-CD2 4.35Å; I25-Y165 HydrophobicContact CG1-CE1 3.66Å; I25-Y165 HydrophobicContact CG1-CG 3.79Å; I25-Y165 HydrophobicContact CG2-CD1 4.49Å; I25-Y165 HydrophobicContact CG2-CE1 3.97Å; I25-Y165 HydrophobicContact CG2-CE2 4.19Å; N28-Y165 HydrophobicContact CB-CE1 4.14Å; N28-Y165 PolarHBondContact O-OH 2.66Å; Y165-G167 PolarHBondContact O-N 2.8Å; Y165-Q168 PolarHBondContact N-O 3.32Å; Y165-Q168 PolarHBondContact O-N 2.88Å; Y165-V205 HydrophobicContact CD2-CG1 3.76Å; Y165-V205 HydrophobicContact CE2-CG1 4.14Å; Y165-V205 HydrophobicContact CG-CG1 4.21Å; Y165-E206 HydrophobicContact CE2-CG 4.05Å; Y165-E206 WeakPolarHBondContact CE2-OE1 3.19Å; Y165-E206 PolarHBondContact OH-OE1 2.89Å
166K84.8Confident78.7Confident99 Ų9936.3 Ų36.343%0.4319%0.192SC..THydrogen-bonded Turntrans47.334.6-176.3-65.9-174.4173.7-177.50114.6N28 E30 Q168N28-K166 HydrophobicContact CB-CD 4.32Å; N28-K166 PolarHBondContact O-NZ 2.73Å; E30-K166 WeakPolarHBondContact OE1-CE 3.13Å; E30-K166 IonicContact OE1-NZ 3.47Å; E30-K166 PolarHBondContact OE1-NZ 2.72Å; K166-Q168 VanDerWaalsContact C-N 3.33Å
167G84.6Confident78.5Confident70 Ų7035.9 Ų35.972%0.72219%0.19SC*.THydrogen-bonded Turntrans89.2-17.5-179.300000115Y165Y165-G167 PolarHBondContact O-N 2.8Å
168Q84.4Confident78.6Confident50 Ų5037.7 Ų37.723%0.23420%0.199CC..EExtended strand (participates in β ladder)trans-84138.9176.3-176.65051.200111.1L16 Y24 I164 Y165 K166 V170L16-Q168 HydrophobicContact CD1-CG 3.67Å; L16-Q168 HydrophobicContact CG-CG 3.93Å; Y24-Q168 HydrophobicContact CD1-CB 4.33Å; Y24-Q168 HydrophobicContact CD1-CG 4.25Å; Y24-Q168 HydrophobicContact CE1-CB 3.55Å; Y24-Q168 HydrophobicContact CE1-CG 3.93Å; I164-Q168 CarbonylContact C-O 3.44Å; I164-Q168 WeakPolarHBondContact CA-O 3.21Å; Y165-Q168 PolarHBondContact N-O 3.32Å; Y165-Q168 PolarHBondContact O-N 2.88Å; K166-Q168 VanDerWaalsContact C-N 3.33Å; Q168-V170 HydrophobicContact CB-CG1 4.44Å; Q168-V170 HydrophobicContact CG-CG1 4.11Å
169K85.6Confident79.2Confident86 Ų8636.2 Ų36.237%0.37419%0.189SC..EExtended strand (participates in β ladder)trans-77.1123.2166.9-62.2-174.5-163.5169.50109.1N13 I15 L16 A163 I164N13-K169 PolarHBondContact O-NZ 2.87Å; I15-K169 HydrophobicContact CB-CB 4.31Å; I15-K169 HydrophobicContact CG1-CB 4.12Å; I15-K169 HydrophobicContact CG1-CD 3.82Å; I15-K169 HydrophobicContact CG2-CB 4.16Å; L16-K169 PolarHBondContact N-O 3.06Å; A163-K169 WeakPolarHBondContact O-CA 3Å; I164-K169 HydrophobicContact CG1-CG 4.46Å
170V81.9Confident79.4Confident0 Ų036.4 Ų36.40%019%0.19CC..EExtended strand (participates in β ladder)trans-122.1136.1-175.9-66.50000109.4L16 S21 Y24 I25 I162 A163 Q168 F172 V205L16-V170 HydrophobicContact CD1-CG1 4.43Å; S21-V170 WeakPolarHBondContact OG-CA 2.92Å; Y24-V170 HydrophobicContact CD1-CG1 4.1Å; I25-V170 HydrophobicContact CD1-CB 3.97Å; I25-V170 HydrophobicContact CD1-CG1 3.65Å; I25-V170 HydrophobicContact CD1-CG2 4.23Å; I162-V170 WeakPolarHBondContact CA-O 3.37Å; A163-V170 HydrophobicContact CB-CG2 4.14Å; A163-V170 PolarHBondContact N-O 3.16Å; A163-V170 WeakPolarHBondContact O-CG2 3.43Å; A163-V170 PolarHBondContact O-N 3.45Å; Q168-V170 HydrophobicContact CB-CG1 4.44Å; Q168-V170 HydrophobicContact CG-CG1 4.11Å; V170-F172 HydrophobicContact CB-CD2 4.34Å; V170-F172 HydrophobicContact CB-CE2 3.74Å; V170-F172 HydrophobicContact CG2-CD2 4.37Å; V170-F172 HydrophobicContact CG2-CE2 3.75Å; V170-V205 HydrophobicContact CG2-CG2 4.42Å
171S83.7Confident79.4Confident0 Ų033.8 Ų33.80%018%0.182CC..EExtended strand (participates in β ladder)trans-137.9168.6177.676.90000112.4L10 I15 L16 D17 P18 S21L10-S171 VanDerWaalsContact CD2-OG 3.24Å; L10-S171 WeakPolarHBondContact CD2-OG 3.38Å; I15-S171 VanDerWaalsContact CG2-CB 3.49Å; L16-S171 WeakPolarHBondContact O-CB 3.5Å; L16-S171 PolarHBondContact O-N 3.01Å; L16-S171 VanDerWaalsContact O-N 3.09Å; L16-S171 PolarHBondContact O-OG 3.39Å; D17-S171 CarbonylContact C-O 3.54Å; P18-S171 WeakPolarHBondContact CA-O 3.24Å; S21-S171 WeakPolarHBondContact CB-O 3.39Å; S21-S171 PolarHBondContact OG-N 2.78Å; S21-S171 PolarHBondContact OG-O 3.46Å
172F72.8Confident79.5Confident0 Ų033.3 Ų33.30%018%0.18CC..  trans-171-46.9-135.9-87.5-59.9000110.6V22 I25 D161 V170 L174 Q177 Y199 G200 E201 V205 A209V22-F172 HydrophobicContact CG2-CD1 4.46Å; V22-F172 HydrophobicContact CG2-CE1 3.91Å; I25-F172 HydrophobicContact CD1-CE2 4.06Å; I25-F172 HydrophobicContact CD1-CZ 3.71Å; D161-F172 WeakPolarHBondContact O-CB 3.44Å; D161-F172 WeakPolarHBondContact OD2-CB 3.46Å; V170-F172 HydrophobicContact CB-CD2 4.34Å; V170-F172 HydrophobicContact CB-CE2 3.74Å; V170-F172 HydrophobicContact CG2-CD2 4.37Å; V170-F172 HydrophobicContact CG2-CE2 3.75Å; F172-L174 PolarHBondContact O-N 3.49Å; F172-Q177 PolarHBondContact O-NE2 2.75Å; F172-Q177 PolarHBondContact O-OE1 3.26Å; F172-Y199 CarbonylContact C-O 3.15Å; F172-Y199 VanDerWaalsContact CA-O 3.31Å; F172-Y199 WeakPolarHBondContact CA-O 3.43Å; F172-Y199 WeakPolarHBondContact CD1-O 3.25Å; F172-Y199 CarbonylContact O-C 3.47Å; F172-G200 WeakPolarHBondContact CD1-O 3.05Å; F172-G200 WeakPolarHBondContact CE1-O 3.36Å; F172-E201 HydrophobicContact CB-CB 3.7Å; F172-E201 VanDerWaalsContact CB-N 3.26Å; F172-E201 HydrophobicContact CD2-CB 3.96Å; F172-E201 HydrophobicContact CD2-CG 4.32Å; F172-E201 HydrophobicContact CG-CB 4Å; F172-E201 VanDerWaalsContact CG-N 3.34Å; F172-V205 HydrophobicContact CD2-CG2 4.11Å; F172-V205 HydrophobicContact CE2-CG2 3.31Å; F172-V205 HydrophobicContact CZ-CG2 3.65Å; F172-A209 HydrophobicContact CE1-CB 4.29Å; F172-A209 HydrophobicContact CZ-CB 4.38Å
173L77.9Confident79.7Confident0 Ų032.1 Ų32.10%017%0.174CC..  trans59.921.6155.5-48.8-175.5000115.9W5 L10 M149 L153 D161 I162 K175 A176 Q177W5-L173 HydrophobicContact CZ3-CD1 4.09Å; L10-L173 HydrophobicContact CD1-CD1 4.03Å; L10-L173 HydrophobicContact CD2-CD1 4.32Å; M149-L173 HydrophobicContact CG-CD1 4.3Å; M149-L173 HydrophobicContact SD-CB 4.35Å; M149-L173 HydrophobicContact SD-CD1 3.89Å; L153-L173 HydrophobicContact CD1-CD1 3.75Å; L153-L173 HydrophobicContact CD1-CD2 3.94Å; L153-L173 HydrophobicContact CD1-CG 4.48Å; L153-L173 HydrophobicContact CD2-CD2 3.7Å; L153-L173 HydrophobicContact CG-CD2 4.48Å; D161-L173 PolarHBondContact O-N 2.85Å; D161-L173 VanDerWaalsContact O-N 3.13Å; D161-L173 PolarHBondContact OD2-N 3.15Å; I162-L173 HydrophobicContact CD1-CD2 4.14Å; I162-L173 HydrophobicContact CG1-CD2 3.8Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.23Å; L173-K175 VanDerWaalsContact O-N 3.12Å; L173-A176 HydrophobicContact CB-CB 4.21Å; L173-A176 CarbonylContact O-C 3.47Å; L173-A176 WeakPolarHBondContact O-CA 3.02Å; L173-A176 WeakPolarHBondContact O-CB 3.08Å; L173-A176 PolarHBondContact O-N 3.34Å; L173-Q177 HydrophobicContact CB-CG 4.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.5Å; L173-Q177 PolarHBondContact O-N 2.93Å
174L72.8Confident79.9Confident38 Ų3832.2 Ų32.220%0.19918%0.177CC..Hα-helixtrans-52-44.6-169.1172.260.4000113.7D161 F172 L178 Y199D161-L174 PolarHBondContact OD2-N 3.04Å; F172-L174 PolarHBondContact O-N 3.49Å; L174-L178 HydrophobicContact CD1-CD1 4.07Å; L174-L178 HydrophobicContact CD1-CG 4.39Å; L174-L178 HydrophobicContact CG-CD1 4.33Å; L174-L178 WeakPolarHBondContact O-CG 3.48Å; L174-L178 PolarHBondContact O-N 3.29Å; L174-Y199 HydrophobicContact CD1-CD1 3.43Å; L174-Y199 VanDerWaalsContact CD1-CD1 3.43Å; L174-Y199 HydrophobicContact CD1-CE1 3.64Å; L174-Y199 HydrophobicContact CD1-CG 4.02Å
175K74Confident79.8Confident66 Ų6628.5 Ų28.529%0.28716%0.16SC..Hα-helixtrans-74.5-31.9178.6-63.9-71.9172.4168.60112.9S89 F159 L173 L179S89-K175 PolarHBondContact O-NZ 3.07Å; F159-K175 HydrophobicContact CD1-CB 3.98Å; F159-K175 HydrophobicContact CE1-CB 4.43Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.23Å; L173-K175 VanDerWaalsContact O-N 3.12Å; K175-L179 WeakPolarHBondContact O-CB 3.32Å; K175-L179 PolarHBondContact O-N 2.81Å; K175-L179 VanDerWaalsContact O-N 3.08Å
176A80.3Confident80.1Confident0 Ų027.3 Ų27.30%016%0.155CC..Hα-helixtrans-69.8-38.1175.600000110.8M149 V152 L153 F159 L173 L179 V180M149-A176 HydrophobicContact CE-CB 4.07Å; M149-A176 HydrophobicContact SD-CB 3.46Å; M149-A176 WeakPolarHBondContact SD-CB 3.24Å; V152-A176 HydrophobicContact CG1-CB 4.23Å; L153-A176 HydrophobicContact CD2-CB 4.17Å; F159-A176 HydrophobicContact CB-CB 3.95Å; L173-A176 HydrophobicContact CB-CB 4.21Å; L173-A176 CarbonylContact O-C 3.47Å; L173-A176 WeakPolarHBondContact O-CA 3.02Å; L173-A176 WeakPolarHBondContact O-CB 3.08Å; L173-A176 PolarHBondContact O-N 3.34Å; A176-L179 WeakPolarHBondContact O-CB 3.33Å; A176-L179 PolarHBondContact O-N 2.82Å; A176-V180 WeakPolarHBondContact O-CG2 3.25Å; A176-V180 PolarHBondContact O-N 2.88Å
177Q76.7Confident80Confident2 Ų222.8 Ų22.81%0.00914%0.135CC..Hα-helixtrans-65.5-53.6174-70.7156.61.600110.5W5 M149 F172 L173 L179 V180 L181 T198 Y199W5-Q177 HydrophobicContact CH2-CG 3.87Å; M149-Q177 HydrophobicContact CE-CB 4.38Å; M149-Q177 HydrophobicContact CE-CG 3.7Å; F172-Q177 PolarHBondContact O-NE2 2.75Å; F172-Q177 PolarHBondContact O-OE1 3.26Å; L173-Q177 HydrophobicContact CB-CG 4.32Å; L173-Q177 WeakPolarHBondContact O-CG 3.5Å; L173-Q177 PolarHBondContact O-N 2.93Å; Q177-L179 PolarHBondContact O-N 2.89Å; Q177-L179 VanDerWaalsContact O-N 3.15Å; Q177-V180 CarbonylContact O-C 3.58Å; Q177-V180 PolarHBondContact O-N 3.47Å; Q177-L181 HydrophobicContact CB-CD1 4.33Å; Q177-L181 VanDerWaalsContact O-CB 3.28Å; Q177-L181 WeakPolarHBondContact O-CB 3.47Å; Q177-L181 WeakPolarHBondContact O-CG 3.09Å; Q177-L181 PolarHBondContact O-N 3.36Å; Q177-T198 VanDerWaalsContact CD-CA 3.49Å; Q177-T198 PolarHBondContact NE2-O 3.42Å; Q177-T198 VanDerWaalsContact OE1-CA 3.23Å; Q177-Y199 VanDerWaalsContact OE1-N 3.12Å
178L76.9Confident79.6Confident59 Ų5924.9 Ų24.931%0.30913%0.13SC..Hα-helixtrans-54-37.9176.2-72.1168.6000112.3W82 L174 G182W82-L178 VanDerWaalsContact CZ2-O 3.28Å; W82-L178 WeakPolarHBondContact CZ2-O 3.37Å; W82-L178 PolarHBondContact NE1-O 2.97Å; L174-L178 HydrophobicContact CD1-CD1 4.07Å; L174-L178 HydrophobicContact CD1-CG 4.39Å; L174-L178 HydrophobicContact CG-CD1 4.33Å; L174-L178 WeakPolarHBondContact O-CG 3.48Å; L174-L178 PolarHBondContact O-N 3.29Å; L178-G182 PolarHBondContact O-N 3.4Å
179L83.8Confident79.1Confident0 Ų026.6 Ų26.60%014%0.138CC..Hα-helixtrans-60-55.4171.4178.659.5000112W82 C83 C86 F134 V152 F159 K175 A176 Q177 G182 V183W82-L179 PolarHBondContact NE1-O 3.02Å; W82-L179 VanDerWaalsContact NE1-O 3.17Å; C83-L179 HydrophobicContact CB-CD1 3.99Å; C86-L179 HydrophobicContact CB-CB 4.44Å; C86-L179 HydrophobicContact CB-CD1 4.34Å; F134-L179 HydrophobicContact CD1-CD1 4.48Å; F134-L179 HydrophobicContact CE1-CD1 4.02Å; F134-L179 HydrophobicContact CE1-CD2 4.16Å; F134-L179 HydrophobicContact CE1-CG 4.15Å; F134-L179 HydrophobicContact CE2-CD2 3.99Å; F134-L179 HydrophobicContact CZ-CD1 4.32Å; F134-L179 HydrophobicContact CZ-CD2 3.61Å; F134-L179 HydrophobicContact CZ-CG 4.05Å; V152-L179 HydrophobicContact CG1-CD2 4.25Å; V152-L179 HydrophobicContact CG2-CD2 4.05Å; F159-L179 HydrophobicContact CD1-CD2 4.19Å; F159-L179 HydrophobicContact CE1-CB 4.14Å; F159-L179 HydrophobicContact CE1-CD2 3.76Å; F159-L179 HydrophobicContact CE2-CD2 4.21Å; F159-L179 HydrophobicContact CZ-CD2 3.78Å; K175-L179 WeakPolarHBondContact O-CB 3.32Å; K175-L179 PolarHBondContact O-N 2.81Å; K175-L179 VanDerWaalsContact O-N 3.08Å; A176-L179 WeakPolarHBondContact O-CB 3.33Å; A176-L179 PolarHBondContact O-N 2.82Å; Q177-L179 PolarHBondContact O-N 2.89Å; Q177-L179 VanDerWaalsContact O-N 3.15Å; L179-G182 PolarHBondContact O-N 3.01Å; L179-V183 WeakPolarHBondContact O-CG2 3.43Å; L179-V183 PolarHBondContact O-N 2.79Å
180V83.6Confident78.9Confident9 Ų925.9 Ų25.96%0.05514%0.136CC..Hα-helixtrans-63.7-45.4-179.1171.70000112.4P145 L148 M149 A176 Q177 G182 V183 G184P145-V180 HydrophobicContact CB-CG1 3.51Å; L148-V180 HydrophobicContact CB-CG2 4.24Å; L148-V180 HydrophobicContact CD2-CG2 4.03Å; L148-V180 HydrophobicContact CG-CG2 3.98Å; M149-V180 HydrophobicContact CE-CB 4.43Å; M149-V180 HydrophobicContact CE-CG2 4.05Å; A176-V180 WeakPolarHBondContact O-CG2 3.25Å; A176-V180 PolarHBondContact O-N 2.88Å; Q177-V180 CarbonylContact O-C 3.58Å; Q177-V180 PolarHBondContact O-N 3.47Å; V180-G182 PolarHBondContact O-N 3.18Å; V180-V183 WeakPolarHBondContact O-CB 3.18Å; V180-V183 PolarHBondContact O-N 3.37Å; V180-G184 PolarHBondContact O-N 3.18Å
181L76.7Confident78.6Confident22 Ų2229.1 Ų29.112%0.11517%0.169CC..Hα-helixtrans-55.7-49.6175.8-69.2170.5000111.1Q177 V183 G184 V185 L196Q177-L181 HydrophobicContact CB-CD1 4.33Å; Q177-L181 VanDerWaalsContact O-CB 3.28Å; Q177-L181 WeakPolarHBondContact O-CB 3.47Å; Q177-L181 WeakPolarHBondContact O-CG 3.09Å; Q177-L181 PolarHBondContact O-N 3.36Å; L181-V183 VanDerWaalsContact C-N 3.34Å; L181-V183 PolarHBondContact O-N 3.17Å; L181-G184 WeakPolarHBondContact O-CA 3.5Å; L181-G184 PolarHBondContact O-N 3.08Å; L181-G184 VanDerWaalsContact O-N 3.08Å; L181-V185 PolarHBondContact O-N 3.06Å; L181-L196 HydrophobicContact CD2-CB 4.38Å; L181-L196 HydrophobicContact CD2-CD1 3.38Å; L181-L196 HydrophobicContact CD2-CG 3.5Å
182G78.3Confident78.2Confident3 Ų331.4 Ų31.43%0.03118%0.181CC..Hα-helixtrans-71.2-26.9179.100000114L178 L179 V180 L186L178-G182 PolarHBondContact O-N 3.4Å; L179-G182 PolarHBondContact O-N 3.01Å; V180-G182 PolarHBondContact O-N 3.18Å; G182-L186 WeakPolarHBondContact O-CB 3.39Å; G182-L186 VanDerWaalsContact O-CG 3.24Å; G182-L186 WeakPolarHBondContact O-CG 3.18Å; G182-L186 PolarHBondContact O-N 3.07Å
183V84.1Confident77.6Confident3 Ų336.5 Ų36.52%0.01822%0.215CC..Hα-helixtrans-64.7-43.1164.8167.90000110.5V79 F134 V138 L148 L179 V180 L181 V185 L186 L187V79-V183 HydrophobicContact CG1-CG2 4.17Å; F134-V183 HydrophobicContact CE1-CG2 4.11Å; V138-V183 HydrophobicContact CG1-CG1 3.84Å; V138-V183 HydrophobicContact CG2-CG1 3.79Å; V138-V183 HydrophobicContact CG2-CG2 4.34Å; L148-V183 HydrophobicContact CD2-CB 4.31Å; L148-V183 HydrophobicContact CD2-CG1 4Å; L148-V183 HydrophobicContact CD2-CG2 4.49Å; L179-V183 WeakPolarHBondContact O-CG2 3.43Å; L179-V183 PolarHBondContact O-N 2.79Å; V180-V183 WeakPolarHBondContact O-CB 3.18Å; V180-V183 PolarHBondContact O-N 3.37Å; L181-V183 VanDerWaalsContact C-N 3.34Å; L181-V183 PolarHBondContact O-N 3.17Å; V183-V185 PolarHBondContact O-N 3.33Å; V183-L186 PolarHBondContact O-N 2.82Å; V183-L187 HydrophobicContact CG1-CD1 3.84Å; V183-L187 HydrophobicContact CG1-CG 4.18Å; V183-L187 WeakPolarHBondContact O-CB 3.44Å; V183-L187 VanDerWaalsContact O-CG 3.22Å; V183-L187 WeakPolarHBondContact O-CG 3.4Å; V183-L187 PolarHBondContact O-N 3.43Å
184G80.6Confident76.4Confident17 Ų1738.8 Ų38.818%0.17524%0.238CC..Hα-helixtrans-57.4-45.8175.200000113V180 L181 L187 D188V180-G184 PolarHBondContact O-N 3.18Å; L181-G184 WeakPolarHBondContact O-CA 3.5Å; L181-G184 PolarHBondContact O-N 3.08Å; L181-G184 VanDerWaalsContact O-N 3.08Å; G184-L187 PolarHBondContact O-N 3.15Å; G184-D188 PolarHBondContact O-N 3.05Å
185V75.9Confident75Confident49 Ų4944 Ų4430%0.29726%0.261SS..Hα-helixtrans-63.6-45174.9176.50000111.6S63 L65 L181 V183 L187 D188 E189S63-V185 WeakPolarHBondContact O-CG1 3Å; L65-V185 HydrophobicContact CD1-CB 3.78Å; L65-V185 HydrophobicContact CD1-CG1 3.71Å; L65-V185 HydrophobicContact CD1-CG2 4.17Å; L181-V185 PolarHBondContact O-N 3.06Å; V183-V185 PolarHBondContact O-N 3.33Å; V185-L187 VanDerWaalsContact C-N 3.28Å; V185-L187 PolarHBondContact O-N 3.38Å; V185-D188 PolarHBondContact O-N 2.91Å; V185-E189 HydrophobicContact CG1-CG 4.4Å; V185-E189 WeakPolarHBondContact O-CG 3.39Å; V185-E189 PolarHBondContact O-N 3.39Å
186L82.1Confident73.2Confident0 Ų045.5 Ų45.50%027%0.272CS..Hα-helixtrans-64.8-31177.2-74.2173.5000113.1L65 L75 A78 V79 W82 G182 V183 H190L65-L186 HydrophobicContact CD2-CD1 4.47Å; L65-L186 HydrophobicContact CD2-CG 4.4Å; L75-L186 HydrophobicContact CD1-CB 4.42Å; L75-L186 WeakPolarHBondContact CD1-O 3.34Å; A78-L186 HydrophobicContact CB-CD1 4.33Å; A78-L186 HydrophobicContact CB-CD2 3.96Å; V79-L186 HydrophobicContact CG2-CB 4.22Å; V79-L186 HydrophobicContact CG2-CD1 4.04Å; W82-L186 HydrophobicContact CB-CD1 3.73Å; W82-L186 HydrophobicContact CG-CD1 4.26Å; G182-L186 WeakPolarHBondContact O-CB 3.39Å; G182-L186 VanDerWaalsContact O-CG 3.24Å; G182-L186 WeakPolarHBondContact O-CG 3.18Å; G182-L186 PolarHBondContact O-N 3.07Å; V183-L186 PolarHBondContact O-N 2.82Å; L186-H190 PolarHBondContact O-N 3.22Å; L186-H190 PolarHBondContact O-ND1 3.16Å
187L83.4Confident71Confident4 Ų448.7 Ų48.72%0.02129%0.286CS..Hα-helixtrans-67.5-46.5172.1-73.7172000110.2L75 V138 N143 V183 G184 V185 H190 G191 I192L75-L187 HydrophobicContact CD1-CD2 4.2Å; L75-L187 HydrophobicContact CD2-CD2 4.02Å; V138-L187 HydrophobicContact CG1-CD1 4.21Å; N143-L187 HydrophobicContact CB-CD1 4.09Å; V183-L187 HydrophobicContact CG1-CD1 3.84Å; V183-L187 HydrophobicContact CG1-CG 4.18Å; V183-L187 WeakPolarHBondContact O-CB 3.44Å; V183-L187 VanDerWaalsContact O-CG 3.22Å; V183-L187 WeakPolarHBondContact O-CG 3.4Å; V183-L187 PolarHBondContact O-N 3.43Å; G184-L187 PolarHBondContact O-N 3.15Å; V185-L187 VanDerWaalsContact C-N 3.28Å; V185-L187 PolarHBondContact O-N 3.38Å; L187-H190 CarbonylContact O-C 3.6Å; L187-H190 VanDerWaalsContact O-C 3.31Å; L187-H190 WeakPolarHBondContact O-CA 3.47Å; L187-H190 PolarHBondContact O-N 3.01Å; L187-G191 PolarHBondContact O-N 3.21Å; L187-G191 VanDerWaalsContact O-N 3.1Å; L187-I192 CarbonylContact C-O 3.56Å; L187-I192 HydrophobicContact CB-CB 3.98Å; L187-I192 HydrophobicContact CB-CG2 4.27Å; L187-I192 VanDerWaalsContact CB-O 3.28Å; L187-I192 WeakPolarHBondContact CB-O 3.42Å; L187-I192 HydrophobicContact CD2-CB 4.12Å; L187-I192 HydrophobicContact CD2-CD1 3.96Å; L187-I192 HydrophobicContact CD2-CG2 4.01Å; L187-I192 WeakPolarHBondContact O-CB 3.13Å; L187-I192 PolarHBondContact O-N 2.96Å
188D75.7Confident69.1Low115 Ų11549.3 Ų49.362%0.61529%0.29SS*.Hα-helixtrans-64.8-42.3179.1-167.954.6000112.3G184 V185 H190 G191 I192G184-D188 PolarHBondContact O-N 3.05Å; V185-D188 PolarHBondContact O-N 2.91Å; D188-H190 PolarHBondContact O-N 2.63Å; D188-G191 PolarHBondContact O-N 3.11Å; D188-I192 WeakPolarHBondContact CA-O 3.46Å; D188-I192 PolarHBondContact N-O 2.93Å; D188-I192 VanDerWaalsContact N-O 3.13Å
189E74.5Confident67.4Low85 Ų8548.9 Ų48.940%0.39728%0.284SS..Hα-helixtrans-54.6-25.5170-76.3-178-172.900112.8H66 V185H66-E189 IonicContact CD2-OE2 3.69Å; H66-E189 PolarHBondContact CD2-OE2 2.99Å; H66-E189 IonicContact NE2-OE2 3.01Å; V185-E189 HydrophobicContact CG1-CG 4.4Å; V185-E189 WeakPolarHBondContact O-CG 3.39Å; V185-E189 PolarHBondContact O-N 3.39Å
190H80.9Confident65.3Low71 Ų7149 Ų4933%0.32929%0.286SS..THydrogen-bonded Turntrans-104.911177.2-69.480.9000113.6L73 L75 L186 L187 D188L73-H190 PolarHBondContact O-NE2 3.46Å; L75-H190 HydrophobicContact CB-CB 4.45Å; L75-H190 HydrophobicContact CD1-CB 4.19Å; L75-H190 HydrophobicContact CD2-CB 4.32Å; L75-H190 PolarHBondContact N-NE2 3.02Å; L186-H190 PolarHBondContact O-N 3.22Å; L186-H190 PolarHBondContact O-ND1 3.16Å; L187-H190 CarbonylContact O-C 3.6Å; L187-H190 VanDerWaalsContact O-C 3.31Å; L187-H190 WeakPolarHBondContact O-CA 3.47Å; L187-H190 PolarHBondContact O-N 3.01Å; D188-H190 PolarHBondContact O-N 2.63Å
191G76.8Confident63.4Low68 Ų6848.7 Ų48.770%0.70128%0.284SS*.THydrogen-bonded Turntrans81.228.1176.100000115.4L187 D188L187-G191 PolarHBondContact O-N 3.21Å; L187-G191 VanDerWaalsContact O-N 3.1Å; D188-G191 PolarHBondContact O-N 3.11Å
192I75.3Confident62.1Low48 Ų4848.7 Ų48.725%0.24629%0.285CS..  trans-125.1116.6-176.9-54.3173000109.7L75 N143 L187 D188L75-I192 HydrophobicContact CD2-CD1 3.72Å; N143-I192 VanDerWaalsContact ND2-CG2 3.34Å; N143-I192 WeakPolarHBondContact ND2-CG2 3.48Å; L187-I192 CarbonylContact C-O 3.56Å; L187-I192 HydrophobicContact CB-CB 3.98Å; L187-I192 HydrophobicContact CB-CG2 4.27Å; L187-I192 VanDerWaalsContact CB-O 3.28Å; L187-I192 WeakPolarHBondContact CB-O 3.42Å; L187-I192 HydrophobicContact CD2-CB 4.12Å; L187-I192 HydrophobicContact CD2-CD1 3.96Å; L187-I192 HydrophobicContact CD2-CG2 4.01Å; L187-I192 WeakPolarHBondContact O-CB 3.13Å; L187-I192 PolarHBondContact O-N 2.96Å; D188-I192 WeakPolarHBondContact CA-O 3.46Å; D188-I192 PolarHBondContact N-O 2.93Å; D188-I192 VanDerWaalsContact N-O 3.13Å
193P59.9Low60.6Low108 Ų10853.2 Ų53.270%0.70132%0.316SS*.  trans-67157.1-175.3-2434.8000116
194G51.3Low58.8Low47 Ų4756.2 Ų56.249%0.48533%0.33SS..  trans-161.7167.3173.400000114.6
195E44Very low57.2Low149 Ų14955.4 Ų55.470%0.69632%0.322SS*.  trans-127.1173-172.8-62.4-173.7166.200113.9
196L36.4Very low56.6Low96 Ų9653.8 Ų53.850%0.50331%0.311SS..  trans-134139.6-146.7-139.976.2000117.2L181 L238L181-L196 HydrophobicContact CD2-CB 4.38Å; L181-L196 HydrophobicContact CD2-CD1 3.38Å; L181-L196 HydrophobicContact CD2-CG 3.5Å; L196-L238 HydrophobicContact CD2-CD1 3.62Å; L196-L238 HydrophobicContact CG-CD1 4.47Å
197F35Very low55.7Low67 Ų6759.9 Ų59.929%0.29434%0.341SS..  trans-156.4160.1-174.2-58.2-89000116W5 P145 M146W5-F197 HydrophobicContact CH2-CB 3.62Å; W5-F197 HydrophobicContact CH2-CG 4.37Å; W5-F197 HydrophobicContact CZ2-CB 3.62Å; W5-F197 HydrophobicContact CZ2-CD1 4.23Å; W5-F197 HydrophobicContact CZ2-CG 4.32Å; P145-F197 HydrophobicContact CG-CE2 4.09Å; M146-F197 HydrophobicContact CG-CE1 4.49Å; M146-F197 HydrophobicContact CG-CE2 3.82Å; M146-F197 HydrophobicContact CG-CZ 3.79Å; M146-F197 HydrophobicContact SD-CD1 4.19Å; M146-F197 HydrophobicContact SD-CD2 3.94Å; M146-F197 HydrophobicContact SD-CE1 4Å; M146-F197 HydrophobicContact SD-CE2 3.76Å; M146-F197 HydrophobicContact SD-CG 4.18Å; M146-F197 HydrophobicContact SD-CZ 3.79Å
198T35.2Very low54.8Low16 Ų1661.7 Ų61.710%0.09835%0.347CS..  trans-155170.4-17350.60000114.8W5 P18 W19 Q177 L238W5-T198 WeakPolarHBondContact CZ2-O 3.43Å; P18-T198 VanDerWaalsContact CB-O 3.23Å; P18-T198 WeakPolarHBondContact CB-O 3.44Å; W19-T198 WeakPolarHBondContact CH2-OG1 3.49Å; W19-T198 WeakPolarHBondContact CZ2-OG1 3.33Å; Q177-T198 VanDerWaalsContact CD-CA 3.49Å; Q177-T198 PolarHBondContact NE2-O 3.42Å; Q177-T198 VanDerWaalsContact OE1-CA 3.23Å; T198-L238 HydrophobicContact CG2-CD2 4.06Å
199Y42.1Very low54.6Low49 Ų4956.2 Ų56.219%0.19232%0.318CS..  cis-158.5-175.3-12-96.30.1000112.2F172 L174 Q177 C212 D241F172-Y199 CarbonylContact C-O 3.15Å; F172-Y199 VanDerWaalsContact CA-O 3.31Å; F172-Y199 WeakPolarHBondContact CA-O 3.43Å; F172-Y199 WeakPolarHBondContact CD1-O 3.25Å; F172-Y199 CarbonylContact O-C 3.47Å; L174-Y199 HydrophobicContact CD1-CD1 3.43Å; L174-Y199 VanDerWaalsContact CD1-CD1 3.43Å; L174-Y199 HydrophobicContact CD1-CE1 3.64Å; L174-Y199 HydrophobicContact CD1-CG 4.02Å; Q177-Y199 VanDerWaalsContact OE1-N 3.12Å; Y199-C212 VanDerWaalsContact CB-SG 3.57Å; Y199-D241 PolarHBondContact OH-OD2 2.78Å
200G39.9Very low54.8Low3 Ų352.7 Ų52.73%0.03130%0.303CS..  trans-103.1175.4-138.400000129.1D161 F172 R208D161-G200 WeakPolarHBondContact OD2-CA 3.31Å; F172-G200 WeakPolarHBondContact CD1-O 3.05Å; F172-G200 WeakPolarHBondContact CE1-O 3.36Å; G200-R208 WeakPolarHBondContact O-CB 3.38Å
201E44.4Very low54.7Low3 Ų351.6 Ų51.61%0.01431%0.306CS..  trans-86.4-160.9-165.8-166.6-131.4-143.100119.7D161 I162 A163 F172 E204 V205 R208D161-E201 VanDerWaalsContact C-CG 3.43Å; D161-E201 VanDerWaalsContact C-OE1 3.27Å; D161-E201 VanDerWaalsContact CA-OE1 3.27Å; D161-E201 WeakPolarHBondContact CA-OE1 3.43Å; D161-E201 HydrophobicContact CB-CB 4.11Å; D161-E201 HydrophobicContact CB-CG 4.4Å; D161-E201 WeakPolarHBondContact OD1-CB 3.37Å; D161-E201 WeakPolarHBondContact OD2-CB 3.28Å; D161-E201 PolarHBondContact OD2-N 3.03Å; D161-E201 VanDerWaalsContact OD2-N 3.07Å; I162-E201 PolarHBondContact N-OE1 2.59Å; A163-E201 HydrophobicContact CB-CG 4.33Å; F172-E201 HydrophobicContact CB-CB 3.7Å; F172-E201 VanDerWaalsContact CB-N 3.26Å; F172-E201 HydrophobicContact CD2-CB 3.96Å; F172-E201 HydrophobicContact CD2-CG 4.32Å; F172-E201 HydrophobicContact CG-CB 4Å; F172-E201 VanDerWaalsContact CG-N 3.34Å; E201-E204 CarbonylContact O-C 3.56Å; E201-V205 PolarHBondContact O-N 3.39Å; E201-R208 WeakPolarHBondContact O-CD 3.27Å; E201-R208 WeakPolarHBondContact O-CG 3.24Å; E201-R208 PolarHBondContact O-NE 3.04Å; E201-R208 PolarHBondContact O-NH1 3.46Å
202P48.9Very low54.7Low22 Ų2249 Ų4914%0.14328%0.277CS..SBendcis-111.8-34.9-38.431.5-17.9000119.7W93 A163 V205W93-P202 HydrophobicContact CB-CG 4.03Å; W93-P202 HydrophobicContact CG-CG 4.36Å; A163-P202 HydrophobicContact CB-CB 4.13Å; P202-V205 VanDerWaalsContact C-N 3.31Å; P202-V205 VanDerWaalsContact O-CB 3.24Å; P202-V205 WeakPolarHBondContact O-CB 3.34Å; P202-V205 WeakPolarHBondContact O-CG2 3.15Å
203S45.5Very low55Low98 Ų9848.4 Ų48.469%0.68527%0.272SS*.SBendtrans-136-29.1163.262.40000109.9V205 E206S203-V205 PolarHBondContact O-N 3.33Å; S203-E206 PolarHBondContact O-N 2.79Å
204E47.2Very low56.2Low66 Ų6644.6 Ų44.631%0.30825%0.248SC..Hα-helix-43.6-10.9127.6-27.5178146.600112.8E201 E206 M207 R208E201-E204 CarbonylContact O-C 3.56Å; E204-E206 VanDerWaalsContact C-N 3.28Å; E204-E206 PolarHBondContact O-N 3.46Å; E204-M207 CarbonylContact O-C 3.53Å; E204-M207 PolarHBondContact O-N 3.3Å; E204-M207 VanDerWaalsContact O-N 3.16Å; E204-R208 HydrophobicContact CB-CG 4.09Å; E204-R208 WeakPolarHBondContact O-CA 3.27Å; E204-R208 WeakPolarHBondContact O-CB 3.19Å; E204-R208 VanDerWaalsContact O-CG 3.27Å; E204-R208 WeakPolarHBondContact O-CG 3Å; E204-R208 PolarHBondContact O-N 2.86Å; E204-R208 IonicContact OE2-CZ 2.66Å; E204-R208 VanDerWaalsContact OE2-CZ 3.26Å; E204-R208 IonicContact OE2-NE 2.59Å; E204-R208 PolarHBondContact OE2-NE 3.28Å; E204-R208 IonicContact OE2-NH2 2.66Å; E204-R208 PolarHBondContact OE2-NH2 3.02Å
205V47Very low57.7Low0 Ų043.9 Ų43.90%023%0.232CC..Hα-helixtrans-45.6-50.2160140.30000111.4I25 Y165 V170 F172 E201 P202 S203 M207 A209I25-V205 HydrophobicContact CB-CG1 4.02Å; I25-V205 HydrophobicContact CD1-CG1 3.93Å; I25-V205 HydrophobicContact CG1-CG1 3.59Å; I25-V205 HydrophobicContact CG2-CG1 3.56Å; Y165-V205 HydrophobicContact CD2-CG1 3.76Å; Y165-V205 HydrophobicContact CE2-CG1 4.14Å; Y165-V205 HydrophobicContact CG-CG1 4.21Å; V170-V205 HydrophobicContact CG2-CG2 4.42Å; F172-V205 HydrophobicContact CD2-CG2 4.11Å; F172-V205 HydrophobicContact CE2-CG2 3.31Å; F172-V205 HydrophobicContact CZ-CG2 3.65Å; E201-V205 PolarHBondContact O-N 3.39Å; P202-V205 VanDerWaalsContact C-N 3.31Å; P202-V205 VanDerWaalsContact O-CB 3.24Å; P202-V205 WeakPolarHBondContact O-CB 3.34Å; P202-V205 WeakPolarHBondContact O-CG2 3.15Å; S203-V205 PolarHBondContact O-N 3.33Å; V205-M207 VanDerWaalsContact C-N 3.35Å; V205-A209 WeakPolarHBondContact O-CA 3.41Å; V205-A209 WeakPolarHBondContact O-CB 3.16Å; V205-A209 PolarHBondContact O-N 2.76Å
206E64Low59.6Low14 Ų1437.4 Ų37.47%0.06520%0.202CC..Hα-helixtrans-69.4-40.1-178.5-63-156.4176.600109.4I25 A29 E30 D31 V32 Y165 S203 E204 V210I25-E206 HydrophobicContact CG2-CG 3.88Å; A29-E206 WeakPolarHBondContact CA-OE1 3.39Å; A29-E206 HydrophobicContact CB-CB 4.49Å; A29-E206 HydrophobicContact CB-CG 4.14Å; A29-E206 WeakPolarHBondContact CB-OE2 3.42Å; E30-E206 PolarHBondContact N-OE1 2.91Å; E30-E206 PolarHBondContact N-OE2 2.79Å; D31-E206 PolarHBondContact N-OE2 3.36Å; V32-E206 HydrophobicContact CB-CB 3.84Å; V32-E206 HydrophobicContact CG2-CB 3.55Å; V32-E206 PolarHBondContact N-OE2 3.32Å; V32-E206 VanDerWaalsContact N-OE2 3.11Å; Y165-E206 HydrophobicContact CE2-CG 4.05Å; Y165-E206 WeakPolarHBondContact CE2-OE1 3.19Å; Y165-E206 PolarHBondContact OH-OE1 2.89Å; S203-E206 PolarHBondContact O-N 2.79Å; E204-E206 VanDerWaalsContact C-N 3.28Å; E204-E206 PolarHBondContact O-N 3.46Å; E206-V210 WeakPolarHBondContact O-CA 3.41Å; E206-V210 WeakPolarHBondContact O-CB 3.37Å; E206-V210 WeakPolarHBondContact O-CG2 3.38Å; E206-V210 PolarHBondContact O-N 3.32Å
207M61.7Low62.1Low128 Ų12834.8 Ų34.863%0.63119%0.189SC*.Hα-helixtrans-69.9-42.2178.5-63.3-173.118000114.5V32 E204 V205 A211V32-M207 HydrophobicContact CG2-CG 3.83Å; E204-M207 CarbonylContact O-C 3.53Å; E204-M207 PolarHBondContact O-N 3.3Å; E204-M207 VanDerWaalsContact O-N 3.16Å; V205-M207 VanDerWaalsContact C-N 3.35Å; M207-A211 WeakPolarHBondContact O-CB 3.25Å; M207-A211 PolarHBondContact O-N 3.38Å
208R66.2Low64.7Low42 Ų4232.1 Ų32.116%0.15818%0.177CC..Hα-helixtrans-80.2-36.8-179-64-162.9-148.3157.16.6110.6D161 G200 E201 E204 C212D161-R208 IonicContact OD1-CZ 3.74Å; D161-R208 IonicContact OD1-NH1 3.56Å; D161-R208 PolarHBondContact OD1-NH1 3.41Å; D161-R208 IonicContact OD1-NH2 2.83Å; D161-R208 IonicContact OD2-NH1 2.68Å; D161-R208 PolarHBondContact OD2-NH1 2.97Å; G200-R208 WeakPolarHBondContact O-CB 3.38Å; E201-R208 WeakPolarHBondContact O-CD 3.27Å; E201-R208 WeakPolarHBondContact O-CG 3.24Å; E201-R208 PolarHBondContact O-NE 3.04Å; E201-R208 PolarHBondContact O-NH1 3.46Å; E204-R208 HydrophobicContact CB-CG 4.09Å; E204-R208 WeakPolarHBondContact O-CA 3.27Å; E204-R208 WeakPolarHBondContact O-CB 3.19Å; E204-R208 VanDerWaalsContact O-CG 3.27Å; E204-R208 WeakPolarHBondContact O-CG 3Å; E204-R208 PolarHBondContact O-N 2.86Å; E204-R208 IonicContact OE2-CZ 2.66Å; E204-R208 VanDerWaalsContact OE2-CZ 3.26Å; E204-R208 IonicContact OE2-NE 2.59Å; E204-R208 PolarHBondContact OE2-NE 3.28Å; E204-R208 IonicContact OE2-NH2 2.66Å; E204-R208 PolarHBondContact OE2-NH2 3.02Å; R208-C212 VanDerWaalsContact O-CB 3.25Å; R208-C212 WeakPolarHBondContact O-CB 3.43Å; R208-C212 PolarHBondContact O-N 2.9Å; R208-C212 PolarHBondContact O-SG 2.7Å
209A70.1Confident67.3Low0 Ų032 Ų320%018%0.176CC..Hα-helixtrans-70.5-44.8170.800000111.3V22 I25 F172 V205 A211 C212 K213V22-A209 HydrophobicContact CG2-CB 4.35Å; I25-A209 HydrophobicContact CB-CB 4.27Å; I25-A209 HydrophobicContact CG2-CB 4.49Å; F172-A209 HydrophobicContact CE1-CB 4.29Å; F172-A209 HydrophobicContact CZ-CB 4.38Å; V205-A209 WeakPolarHBondContact O-CA 3.41Å; V205-A209 WeakPolarHBondContact O-CB 3.16Å; V205-A209 PolarHBondContact O-N 2.76Å; A209-A211 VanDerWaalsContact C-N 3.33Å; A209-A211 PolarHBondContact O-N 3.19Å; A209-C212 PolarHBondContact O-N 3.37Å; A209-K213 VanDerWaalsContact O-CB 3.22Å; A209-K213 WeakPolarHBondContact O-CB 3.44Å; A209-K213 PolarHBondContact O-N 2.91Å
210V79.3Confident69.7Low12 Ų1234.2 Ų34.27%0.07319%0.188CC..Hα-helixtrans-61.4-42.8171.7170.30000110V32 L34 E206 K213 C214V32-V210 HydrophobicContact CB-CG2 4.19Å; V32-V210 HydrophobicContact CG1-CB 3.99Å; V32-V210 HydrophobicContact CG1-CG1 4.04Å; V32-V210 HydrophobicContact CG1-CG2 3.99Å; L34-V210 HydrophobicContact CD2-CG1 3.71Å; L34-V210 HydrophobicContact CG-CG1 4.02Å; E206-V210 WeakPolarHBondContact O-CA 3.41Å; E206-V210 WeakPolarHBondContact O-CB 3.37Å; E206-V210 WeakPolarHBondContact O-CG2 3.38Å; E206-V210 PolarHBondContact O-N 3.32Å; V210-K213 CarbonylContact O-C 3.56Å; V210-K213 PolarHBondContact O-N 3.28Å; V210-C214 PolarHBondContact O-N 3.14Å; V210-C214 PolarHBondContact O-SG 2.87Å
211A79.2Confident72.2Confident48 Ų4836.1 Ų36.140%0.39720%0.197SC..Hα-helixtrans-63.3-46.7174.800000112.6M207 A209 K213 C214 M215M207-A211 WeakPolarHBondContact O-CB 3.25Å; M207-A211 PolarHBondContact O-N 3.38Å; A209-A211 VanDerWaalsContact C-N 3.33Å; A209-A211 PolarHBondContact O-N 3.19Å; A211-K213 PolarHBondContact O-N 3.11Å; A211-C214 CarbonylContact O-C 3.45Å; A211-C214 WeakPolarHBondContact O-CA 3.27Å; A211-C214 VanDerWaalsContact O-CB 3.25Å; A211-C214 WeakPolarHBondContact O-CB 3.13Å; A211-C214 PolarHBondContact O-N 3.05Å; A211-C214 VanDerWaalsContact O-N 3.07Å; A211-M215 VanDerWaalsContact O-CG 3.32Å; A211-M215 WeakPolarHBondContact O-CG 3.42Å; A211-M215 PolarHBondContact O-N 2.92Å
212C75.5Confident74.5Confident14 Ų1436 Ų3610%0.09520%0.197CC..Hα-helixtrans-60.4-34.3174-69.80000111.4V22 Y199 R208 A209 M215 Q216V22-C212 HydrophobicContact CG1-CB 4Å; V22-C212 HydrophobicContact CG2-CB 3.76Å; Y199-C212 VanDerWaalsContact CB-SG 3.57Å; R208-C212 VanDerWaalsContact O-CB 3.25Å; R208-C212 WeakPolarHBondContact O-CB 3.43Å; R208-C212 PolarHBondContact O-N 2.9Å; R208-C212 PolarHBondContact O-SG 2.7Å; A209-C212 PolarHBondContact O-N 3.37Å; C212-M215 PolarHBondContact O-N 2.7Å; C212-Q216 WeakPolarHBondContact O-CG 3.34Å; C212-Q216 PolarHBondContact O-N 2.7Å
213K82.1Confident76.6Confident34 Ų3436 Ų3615%0.14820%0.196CC..Hα-helixtrans-73.7-33.2174.2-16558.2174.8-176.90112.3V22 N23 A26 L34 A209 V210 A211 Q216 L217V22-K213 HydrophobicContact CG1-CB 4.19Å; N23-K213 PolarHBondContact OD1-NZ 2.62Å; A26-K213 HydrophobicContact CB-CB 4.21Å; A26-K213 HydrophobicContact CB-CG 4.03Å; L34-K213 HydrophobicContact CD1-CB 4.42Å; L34-K213 HydrophobicContact CD1-CG 3.8Å; L34-K213 HydrophobicContact CD2-CB 4.29Å; L34-K213 HydrophobicContact CD2-CG 4.37Å; A209-K213 VanDerWaalsContact O-CB 3.22Å; A209-K213 WeakPolarHBondContact O-CB 3.44Å; A209-K213 PolarHBondContact O-N 2.91Å; V210-K213 CarbonylContact O-C 3.56Å; V210-K213 PolarHBondContact O-N 3.28Å; A211-K213 PolarHBondContact O-N 3.11Å; K213-Q216 HydrophobicContact CD-CB 4.34Å; K213-L217 HydrophobicContact CD-CG 4.43Å; K213-L217 HydrophobicContact CG-CD1 4.02Å; K213-L217 HydrophobicContact CG-CG 4.38Å; K213-L217 VanDerWaalsContact O-CB 3.26Å; K213-L217 WeakPolarHBondContact O-CB 3.43Å; K213-L217 WeakPolarHBondContact O-CD1 3.28Å; K213-L217 WeakPolarHBondContact O-CG 3.41Å; K213-L217 PolarHBondContact O-N 2.89Å
214C85.4Confident78.9Confident28 Ų2834.4 Ų34.419%0.18918%0.182CC..Hα-helixtrans-59.7-46.7166-62.90000110L34 L39 V210 A211 L217 I218L34-C214 VanDerWaalsContact CD2-SG 3.58Å; L39-C214 HydrophobicContact CD2-CB 3.69Å; L39-C214 VanDerWaalsContact CD2-SG 3.51Å; V210-C214 PolarHBondContact O-N 3.14Å; V210-C214 PolarHBondContact O-SG 2.87Å; A211-C214 CarbonylContact O-C 3.45Å; A211-C214 WeakPolarHBondContact O-CA 3.27Å; A211-C214 VanDerWaalsContact O-CB 3.25Å; A211-C214 WeakPolarHBondContact O-CB 3.13Å; A211-C214 PolarHBondContact O-N 3.05Å; A211-C214 VanDerWaalsContact O-N 3.07Å; C214-L217 PolarHBondContact O-N 3.39Å; C214-I218 WeakPolarHBondContact O-CB 3.42Å; C214-I218 WeakPolarHBondContact O-CD1 3.49Å; C214-I218 WeakPolarHBondContact O-CG1 3.44Å; C214-I218 PolarHBondContact O-N 3.47Å
215M83.6Confident81Confident32 Ų3234 Ų3416%0.15818%0.18CC..Hα-helixtrans-64.8-44.6178.9-60.5-54.6-89.500111.6A211 C212 T219 I240 D241 V244A211-M215 VanDerWaalsContact O-CG 3.32Å; A211-M215 WeakPolarHBondContact O-CG 3.42Å; A211-M215 PolarHBondContact O-N 2.92Å; C212-M215 PolarHBondContact O-N 2.7Å; M215-T219 VanDerWaalsContact O-CB 3.28Å; M215-T219 WeakPolarHBondContact O-CB 3.17Å; M215-T219 PolarHBondContact O-N 3.23Å; M215-T219 PolarHBondContact O-OG1 3.24Å; M215-I240 HydrophobicContact CE-CB 4.1Å; M215-I240 HydrophobicContact CE-CG2 3.64Å; M215-I240 HydrophobicContact SD-CG2 4.02Å; M215-D241 HydrophobicContact CE-CB 3.68Å; M215-D241 VanDerWaalsContact CE-N 3.29Å; M215-V244 HydrophobicContact CE-CG2 4.28Å
216Q82.8Confident83.1Confident13 Ų1334.1 Ų34.16%0.06118%0.18CC..Hα-helixtrans-55.6-56.6171.4-77.1-179.2-0.400111.2W19 C212 K213 I218 T219 E220W19-Q216 HydrophobicContact CH2-CG 4.49Å; W19-Q216 HydrophobicContact CZ3-CG 4.02Å; C212-Q216 WeakPolarHBondContact O-CG 3.34Å; C212-Q216 PolarHBondContact O-N 2.7Å; K213-Q216 HydrophobicContact CD-CB 4.34Å; Q216-I218 VanDerWaalsContact C-N 3.34Å; Q216-I218 PolarHBondContact O-N 3.28Å; Q216-T219 CarbonylContact O-C 3.34Å; Q216-T219 WeakPolarHBondContact O-CA 3.14Å; Q216-T219 WeakPolarHBondContact O-CB 3.36Å; Q216-T219 PolarHBondContact O-N 3.33Å; Q216-E220 WeakPolarHBondContact O-CG 3.3Å; Q216-E220 PolarHBondContact O-N 2.86Å
217L88.9Confident84.4Confident42 Ų4240.8 Ų40.822%0.2221%0.211CC..Hα-helixtrans-63.8-37.5-176.4-70.1169.1000112.1L34 L39 K213 C214 E220 I221L34-L217 HydrophobicContact CD1-CD1 4.12Å; L34-L217 HydrophobicContact CD2-CD1 4.24Å; L39-L217 HydrophobicContact CD1-CB 4.29Å; L39-L217 HydrophobicContact CD1-CD1 3.8Å; K213-L217 HydrophobicContact CD-CG 4.43Å; K213-L217 HydrophobicContact CG-CD1 4.02Å; K213-L217 HydrophobicContact CG-CG 4.38Å; K213-L217 VanDerWaalsContact O-CB 3.26Å; K213-L217 WeakPolarHBondContact O-CB 3.43Å; K213-L217 WeakPolarHBondContact O-CD1 3.28Å; K213-L217 WeakPolarHBondContact O-CG 3.41Å; K213-L217 PolarHBondContact O-N 2.89Å; C214-L217 PolarHBondContact O-N 3.39Å; L217-E220 PolarHBondContact O-N 2.97Å; L217-I221 WeakPolarHBondContact O-CB 3.37Å; L217-I221 WeakPolarHBondContact O-CD1 3.36Å; L217-I221 WeakPolarHBondContact O-CG1 3.14Å; L217-I221 PolarHBondContact O-N 2.98Å
218I90.6Very high85.9Confident11 Ų1141.5 Ų41.56%0.05621%0.211CC..Hα-helixtrans-66-41.9172.6-71.2166.5000110.1L39 A42 A43 I46 C214 Q216 I221 V222 I240L39-I218 HydrophobicContact CB-CG1 4.34Å; L39-I218 HydrophobicContact CD2-CD1 4.26Å; A42-I218 HydrophobicContact CB-CD1 4.05Å; A43-I218 HydrophobicContact CB-CG2 4.24Å; I46-I218 HydrophobicContact CD1-CG2 3.85Å; C214-I218 WeakPolarHBondContact O-CB 3.42Å; C214-I218 WeakPolarHBondContact O-CD1 3.49Å; C214-I218 WeakPolarHBondContact O-CG1 3.44Å; C214-I218 PolarHBondContact O-N 3.47Å; Q216-I218 VanDerWaalsContact C-N 3.34Å; Q216-I218 PolarHBondContact O-N 3.28Å; I218-I221 PolarHBondContact O-N 2.92Å; I218-V222 HydrophobicContact CG2-CG2 4.03Å; I218-V222 WeakPolarHBondContact O-CB 3.23Å; I218-V222 WeakPolarHBondContact O-CG2 3.49Å; I218-V222 PolarHBondContact O-N 3.33Å; I218-I240 HydrophobicContact CB-CG2 4.4Å; I218-I240 HydrophobicContact CG2-CD1 4.24Å; I218-I240 HydrophobicContact CG2-CG1 4.45Å; I218-I240 HydrophobicContact CG2-CG2 3.66Å
219T89.4Confident87Confident12 Ų1241.9 Ų41.97%0.07422%0.223CC..Hα-helixtrans-62.8-42.1175.8-54.40000111.3M215 Q216 N223 V235 C237 I240M215-T219 VanDerWaalsContact O-CB 3.28Å; M215-T219 WeakPolarHBondContact O-CB 3.17Å; M215-T219 PolarHBondContact O-N 3.23Å; M215-T219 PolarHBondContact O-OG1 3.24Å; Q216-T219 CarbonylContact O-C 3.34Å; Q216-T219 WeakPolarHBondContact O-CA 3.14Å; Q216-T219 WeakPolarHBondContact O-CB 3.36Å; Q216-T219 PolarHBondContact O-N 3.33Å; T219-N223 WeakPolarHBondContact O-CB 3.41Å; T219-N223 PolarHBondContact O-N 3.05Å; T219-N223 PolarHBondContact O-ND2 3.33Å; T219-V235 WeakPolarHBondContact CG2-O 3.5Å; T219-C237 PolarHBondContact OG1-SG 3.23Å; T219-I240 WeakPolarHBondContact OG1-CG1 3.46Å
220E91.4Very high87.8Confident96 Ų9646 Ų4645%0.44926%0.258SS..Hα-helixtrans-63.6-51.6175.5-72.3168.7-166.500111.3Q216 L217 N223 V224Q216-E220 WeakPolarHBondContact O-CG 3.3Å; Q216-E220 PolarHBondContact O-N 2.86Å; L217-E220 PolarHBondContact O-N 2.97Å; E220-N223 PolarHBondContact O-N 3.06Å; E220-V224 WeakPolarHBondContact O-CG2 3.35Å; E220-V224 PolarHBondContact O-N 3.04Å
221I93.1Very high88.1Confident43 Ų4348.2 Ų48.222%0.22127%0.267CS..Hα-helixtrans-63.1-45.9179-64.5161000110.7E40 A43 L217 I218 N223 V224 E225E40-I221 HydrophobicContact CG-CD1 4.2Å; A43-I221 HydrophobicContact CB-CB 3.83Å; A43-I221 HydrophobicContact CB-CG2 3.5Å; A43-I221 VanDerWaalsContact CB-CG2 3.5Å; L217-I221 WeakPolarHBondContact O-CB 3.37Å; L217-I221 WeakPolarHBondContact O-CD1 3.36Å; L217-I221 WeakPolarHBondContact O-CG1 3.14Å; L217-I221 PolarHBondContact O-N 2.98Å; I218-I221 PolarHBondContact O-N 2.92Å; I221-N223 PolarHBondContact O-N 3.27Å; I221-V224 PolarHBondContact O-N 3.09Å; I221-E225 HydrophobicContact CG2-CG 4.17Å; I221-E225 WeakPolarHBondContact O-CG 3.17Å; I221-E225 PolarHBondContact O-N 2.68Å
222V92.8Very high88.3Confident0 Ų052.7 Ų52.70%029%0.289CS..Hα-helixtrans-60.1-46.4179.1169.10000110.6A43 I46 I50 I218 V224 E225 L226 V235 I240A43-V222 HydrophobicContact CB-CG2 3.88Å; I46-V222 HydrophobicContact CB-CG2 4.13Å; I46-V222 HydrophobicContact CG2-CG2 4.09Å; I50-V222 HydrophobicContact CD1-CG1 3.57Å; I218-V222 HydrophobicContact CG2-CG2 4.03Å; I218-V222 WeakPolarHBondContact O-CB 3.23Å; I218-V222 WeakPolarHBondContact O-CG2 3.49Å; I218-V222 PolarHBondContact O-N 3.33Å; V222-V224 VanDerWaalsContact C-N 3.35Å; V222-V224 PolarHBondContact O-N 3.04Å; V222-E225 PolarHBondContact O-N 3.13Å; V222-L226 HydrophobicContact CG1-CD1 3.76Å; V222-L226 HydrophobicContact CG1-CG 4.22Å; V222-L226 WeakPolarHBondContact O-CB 3.3Å; V222-L226 VanDerWaalsContact O-CG 3.24Å; V222-L226 WeakPolarHBondContact O-CG 3.46Å; V222-L226 PolarHBondContact O-N 2.89Å; V222-V235 HydrophobicContact CB-CG2 4.31Å; V222-V235 HydrophobicContact CG1-CG2 3.67Å; V222-I240 HydrophobicContact CB-CD1 4.31Å; V222-I240 HydrophobicContact CG1-CD1 4.3Å; V222-I240 HydrophobicContact CG2-CD1 4.11Å
223N93.1Very high88.7Confident24 Ų2454.3 Ų54.313%0.12830%0.297CS..Hα-helixtrans-62-40.2177-78.1-53000112.4T219 E220 I221 L226 E227 R234 V235T219-N223 WeakPolarHBondContact O-CB 3.41Å; T219-N223 PolarHBondContact O-N 3.05Å; T219-N223 PolarHBondContact O-ND2 3.33Å; E220-N223 PolarHBondContact O-N 3.06Å; I221-N223 PolarHBondContact O-N 3.27Å; N223-L226 PolarHBondContact O-N 3.39Å; N223-E227 WeakPolarHBondContact O-CB 3.45Å; N223-E227 PolarHBondContact O-N 2.76Å; N223-R234 WeakPolarHBondContact OD1-CA 3.42Å; N223-R234 WeakPolarHBondContact OD1-CG 3.41Å; N223-V235 PolarHBondContact ND2-O 3.11Å; N223-V235 PolarHBondContact OD1-N 3.42Å
224V93.2Very high88.8Confident64 Ų6462.7 Ų62.739%0.38833%0.328SS..Hα-helixtrans-66.2-37.9175.7166.60000112.2E220 I221 V222 K228E220-V224 WeakPolarHBondContact O-CG2 3.35Å; E220-V224 PolarHBondContact O-N 3.04Å; I221-V224 PolarHBondContact O-N 3.09Å; V222-V224 VanDerWaalsContact C-N 3.35Å; V222-V224 PolarHBondContact O-N 3.04Å; V224-K228 HydrophobicContact CG1-CD 4.4Å; V224-K228 VanDerWaalsContact O-CG 3.26Å; V224-K228 WeakPolarHBondContact O-CG 3.44Å; V224-K228 PolarHBondContact O-N 2.8Å; V224-K228 VanDerWaalsContact O-N 3.09Å
225E92.3Very high88.7Confident58 Ų5861.7 Ų61.727%0.27132%0.32SS..Hα-helixtrans-74.3-30.6175.9-63-60.6115.600112.5T47 I221 V222 K228 A229T47-E225 HydrophobicContact CG2-CB 3.82Å; I221-E225 HydrophobicContact CG2-CG 4.17Å; I221-E225 WeakPolarHBondContact O-CG 3.17Å; I221-E225 PolarHBondContact O-N 2.68Å; V222-E225 PolarHBondContact O-N 3.13Å; E225-K228 WeakPolarHBondContact OE1-CD 3.46Å; E225-K228 IonicContact OE1-NZ 2.63Å; E225-K228 PolarHBondContact OE1-NZ 3.26Å; E225-A229 WeakPolarHBondContact O-CB 3.4Å; E225-A229 PolarHBondContact O-N 3.33Å
226L91.4Very high88.5Confident1 Ų163 Ų631%0.00533%0.328CS..Hα-helixtrans-67.8-43.5171.4-71.8170.7000111.5T47 I50 I51 V222 N223 K228 A229 A230 E231 V235T47-L226 HydrophobicContact CG2-CD2 3.97Å; T47-L226 HydrophobicContact CG2-CG 4.19Å; I50-L226 HydrophobicContact CB-CD2 4.24Å; I50-L226 HydrophobicContact CD1-CD1 4.28Å; I50-L226 HydrophobicContact CG2-CD1 4.12Å; I50-L226 HydrophobicContact CG2-CD2 3.67Å; I51-L226 HydrophobicContact CG1-CD2 4.02Å; V222-L226 HydrophobicContact CG1-CD1 3.76Å; V222-L226 HydrophobicContact CG1-CG 4.22Å; V222-L226 WeakPolarHBondContact O-CB 3.3Å; V222-L226 VanDerWaalsContact O-CG 3.24Å; V222-L226 WeakPolarHBondContact O-CG 3.46Å; V222-L226 PolarHBondContact O-N 2.89Å; N223-L226 PolarHBondContact O-N 3.39Å; L226-K228 VanDerWaalsContact C-N 3.35Å; L226-K228 PolarHBondContact O-N 3.25Å; L226-A229 CarbonylContact O-C 3.45Å; L226-A229 WeakPolarHBondContact O-CA 3.45Å; L226-A229 WeakPolarHBondContact O-CB 3.23Å; L226-A229 PolarHBondContact O-N 3.25Å; L226-A230 PolarHBondContact O-N 3.39Å; L226-A230 VanDerWaalsContact O-N 3.15Å; L226-E231 HydrophobicContact CB-CB 4.13Å; L226-E231 HydrophobicContact CD2-CB 3.96Å; L226-E231 HydrophobicContact CD2-CG 3.94Å; L226-E231 PolarHBondContact O-N 3.21Å; L226-V235 HydrophobicContact CD1-CG2 4.42Å
227E91.3Very high88Confident154 Ų15463.9 Ų63.972%0.7234%0.335SS*.Hα-helixtrans-59.9-43.7174.4-175.4175.3-164.800111.3N223 A229 A230N223-E227 WeakPolarHBondContact O-CB 3.45Å; N223-E227 PolarHBondContact O-N 2.76Å; E227-A229 VanDerWaalsContact C-N 3.28Å; E227-A229 PolarHBondContact O-N 2.87Å; E227-A230 PolarHBondContact O-N 2.91Å
228K91.4Very high87.1Confident144 Ų14463.8 Ų63.863%0.62634%0.335SS*.Hα-helixtrans-62.5-31.6172.4-71.9168.8-170.8171.70113.6V224 E225 L226 A230V224-K228 HydrophobicContact CG1-CD 4.4Å; V224-K228 VanDerWaalsContact O-CG 3.26Å; V224-K228 WeakPolarHBondContact O-CG 3.44Å; V224-K228 PolarHBondContact O-N 2.8Å; V224-K228 VanDerWaalsContact O-N 3.09Å; E225-K228 WeakPolarHBondContact OE1-CD 3.46Å; E225-K228 IonicContact OE1-NZ 2.63Å; E225-K228 PolarHBondContact OE1-NZ 3.26Å; L226-K228 VanDerWaalsContact C-N 3.35Å; L226-K228 PolarHBondContact O-N 3.25Å; K228-A230 PolarHBondContact O-N 2.9Å
229A89.9Confident86.2Confident50 Ų5064.3 Ų64.341%0.41334%0.338SS..THydrogen-bonded Turntrans-80.3-0.8175.200000113.4I51 E225 L226 E227 E231I51-A229 HydrophobicContact CD1-CB 3.83Å; E225-A229 WeakPolarHBondContact O-CB 3.4Å; E225-A229 PolarHBondContact O-N 3.33Å; L226-A229 CarbonylContact O-C 3.45Å; L226-A229 WeakPolarHBondContact O-CA 3.45Å; L226-A229 WeakPolarHBondContact O-CB 3.23Å; L226-A229 PolarHBondContact O-N 3.25Å; E227-A229 VanDerWaalsContact C-N 3.28Å; E227-A229 PolarHBondContact O-N 2.87Å; A229-E231 HydrophobicContact CB-CG 4.37Å; A229-E231 PolarHBondContact O-N 3.41Å
230A88.2Confident85.8Confident87 Ų8763.8 Ų63.872%0.71933%0.334SS*.THydrogen-bonded Turntrans58.925-172.200000114.5L226 E227 K228L226-A230 PolarHBondContact O-N 3.39Å; L226-A230 VanDerWaalsContact O-N 3.15Å; E227-A230 PolarHBondContact O-N 2.91Å; K228-A230 PolarHBondContact O-N 2.9Å
231E84.9Confident85Confident57 Ų5761.8 Ų61.827%0.26633%0.327SS..  trans-72.8135.2169.6-75.5-70.7173.200110.2I51 L226 A229 I233I51-E231 HydrophobicContact CG1-CG 4.06Å; L226-E231 HydrophobicContact CB-CB 4.13Å; L226-E231 HydrophobicContact CD2-CB 3.96Å; L226-E231 HydrophobicContact CD2-CG 3.94Å; L226-E231 PolarHBondContact O-N 3.21Å; A229-E231 HydrophobicContact CB-CG 4.37Å; A229-E231 PolarHBondContact O-N 3.41Å; E231-I233 VanDerWaalsContact C-N 3.27Å; E231-I233 PolarHBondContact O-N 2.85Å
232T83.7Confident83.8Confident142 Ų14262 Ų6287%0.87133%0.332SS*.  trans-84.5-2.6177.854.50000113.3
233I83.5Confident82.8Confident49 Ų4962.7 Ų62.725%0.25134%0.335SS..  trans-86.5129-177.1-53.3174.1000109.7L55 E231L55-I233 HydrophobicContact CD1-CG2 3.62Å; E231-I233 VanDerWaalsContact C-N 3.27Å; E231-I233 PolarHBondContact O-N 2.85Å
234R83.2Confident81.9Confident210 Ų21064.6 Ų64.679%0.79235%0.347SS*.  trans-106.9140.2168-163.8-177.5-175141.16.3109.3N223N223-R234 WeakPolarHBondContact OD1-CA 3.42Å; N223-R234 WeakPolarHBondContact OD1-CG 3.41Å
235V84.2Confident80.6Confident6 Ų664.5 Ų64.54%0.03634%0.344CS..  trans-110.4151.5176.4-70.10000112.3I50 L55 T219 V222 N223 L226 D239 I240I50-V235 HydrophobicContact CD1-CG1 3.93Å; L55-V235 HydrophobicContact CD1-CG1 3.65Å; T219-V235 WeakPolarHBondContact CG2-O 3.5Å; V222-V235 HydrophobicContact CB-CG2 4.31Å; V222-V235 HydrophobicContact CG1-CG2 3.67Å; N223-V235 PolarHBondContact ND2-O 3.11Å; N223-V235 PolarHBondContact OD1-N 3.42Å; L226-V235 HydrophobicContact CD1-CG2 4.42Å; V235-D239 WeakPolarHBondContact CA-OD2 3.39Å; V235-D239 HydrophobicContact CB-CB 4.07Å; V235-D239 HydrophobicContact CG1-CB 4.13Å; V235-I240 HydrophobicContact CG2-CD1 4.08Å
236D78.8Confident79.4Confident61 Ų6166 Ų6633%0.32635%0.353SS..  trans-106.8178.5168.573.736.9000112.5L238 D239 I240D236-L238 VanDerWaalsContact C-N 3.26Å; D236-L238 PolarHBondContact O-N 3.35Å; D236-L238 VanDerWaalsContact OD1-CA 3.32Å; D236-L238 WeakPolarHBondContact OD1-CA 3.36Å; D236-L238 VanDerWaalsContact OD1-CB 3.26Å; D236-L238 WeakPolarHBondContact OD1-CB 3.45Å; D236-L238 PolarHBondContact OD1-N 2.94Å; D236-D239 PolarHBondContact N-OD2 3.12Å; D236-D239 PolarHBondContact O-N 3.34Å; D236-D239 PolarHBondContact OD1-N 2.91Å; D236-I240 WeakPolarHBondContact O-CG1 3.43Å; D236-I240 PolarHBondContact O-N 3.27Å
237C73.8Confident78.2Confident30 Ų3069.2 Ų69.220%0.20337%0.37CS..Hα-helixtrans-67.5-22-178.3-60.90000114T219 D241T219-C237 PolarHBondContact OG1-SG 3.23Å; C237-D241 WeakPolarHBondContact O-CB 3.46Å; C237-D241 PolarHBondContact O-N 3.39Å
238L68.2Low77Confident41 Ų4169.4 Ų69.422%0.21536%0.364CS..Hα-helixtrans-79.9-32.3175.8-59.9172.7000111.5L196 T198 D236 I240 D241 S242L196-L238 HydrophobicContact CD2-CD1 3.62Å; L196-L238 HydrophobicContact CG-CD1 4.47Å; T198-L238 HydrophobicContact CG2-CD2 4.06Å; D236-L238 VanDerWaalsContact C-N 3.26Å; D236-L238 PolarHBondContact O-N 3.35Å; D236-L238 VanDerWaalsContact OD1-CA 3.32Å; D236-L238 WeakPolarHBondContact OD1-CA 3.36Å; D236-L238 VanDerWaalsContact OD1-CB 3.26Å; D236-L238 WeakPolarHBondContact OD1-CB 3.45Å; D236-L238 PolarHBondContact OD1-N 2.94Å; L238-I240 VanDerWaalsContact C-N 3.33Å; L238-D241 PolarHBondContact O-N 3.01Å; L238-S242 VanDerWaalsContact O-CB 3.3Å; L238-S242 WeakPolarHBondContact O-CB 3.31Å; L238-S242 PolarHBondContact O-N 3.29Å; L238-S242 PolarHBondContact O-OG 2.97Å
239D73.5Confident75.5Confident22 Ų2266.9 Ų66.912%0.11836%0.356CS..Hα-helixtrans-63.8-42.7169.1-57.3-43.5000110.1L55 R61 V235 D236 S242 F243L55-D239 HydrophobicContact CD2-CB 4.4Å; R61-D239 IonicContact NH2-OD1 3.1Å; R61-D239 PolarHBondContact NH2-OD1 3.15Å; R61-D239 VanDerWaalsContact NH2-OD1 3.1Å; V235-D239 WeakPolarHBondContact CA-OD2 3.39Å; V235-D239 HydrophobicContact CB-CB 4.07Å; V235-D239 HydrophobicContact CG1-CB 4.13Å; D236-D239 PolarHBondContact N-OD2 3.12Å; D236-D239 PolarHBondContact O-N 3.34Å; D236-D239 PolarHBondContact OD1-N 2.91Å; D239-S242 PolarHBondContact O-N 3.36Å; D239-F243 WeakPolarHBondContact O-CD2 2.94Å; D239-F243 PolarHBondContact O-N 3.34Å
240I81Confident74.1Confident0 Ų070.9 Ų70.90%036%0.361CS..Hα-helixtrans-64.4-42.5173.6-58-58.6000111.4I46 M215 I218 T219 V222 V235 D236 L238 F243 V244I46-I240 HydrophobicContact CD1-CG2 4.24Å; I46-I240 HydrophobicContact CG2-CD1 3.78Å; M215-I240 HydrophobicContact CE-CB 4.1Å; M215-I240 HydrophobicContact CE-CG2 3.64Å; M215-I240 HydrophobicContact SD-CG2 4.02Å; I218-I240 HydrophobicContact CB-CG2 4.4Å; I218-I240 HydrophobicContact CG2-CD1 4.24Å; I218-I240 HydrophobicContact CG2-CG1 4.45Å; I218-I240 HydrophobicContact CG2-CG2 3.66Å; T219-I240 WeakPolarHBondContact OG1-CG1 3.46Å; V222-I240 HydrophobicContact CB-CD1 4.31Å; V222-I240 HydrophobicContact CG1-CD1 4.3Å; V222-I240 HydrophobicContact CG2-CD1 4.11Å; V235-I240 HydrophobicContact CG2-CD1 4.08Å; D236-I240 WeakPolarHBondContact O-CG1 3.43Å; D236-I240 PolarHBondContact O-N 3.27Å; L238-I240 VanDerWaalsContact C-N 3.33Å; I240-F243 WeakPolarHBondContact O-CB 3.37Å; I240-F243 PolarHBondContact O-N 2.92Å; I240-V244 WeakPolarHBondContact O-CG2 3.49Å; I240-V244 PolarHBondContact O-N 3.16Å
241D72.9Confident72.8Confident55 Ų5568.8 Ų68.829%0.29434%0.341SS..Hα-helixtrans-62.7-42.6176.7-160.140.4000111.4Y199 M215 C237 L238 F243 V244 D245Y199-D241 PolarHBondContact OH-OD2 2.78Å; M215-D241 HydrophobicContact CE-CB 3.68Å; M215-D241 VanDerWaalsContact CE-N 3.29Å; C237-D241 WeakPolarHBondContact O-CB 3.46Å; C237-D241 PolarHBondContact O-N 3.39Å; L238-D241 PolarHBondContact O-N 3.01Å; D241-F243 VanDerWaalsContact C-N 3.32Å; D241-F243 PolarHBondContact O-N 2.93Å; D241-V244 PolarHBondContact O-N 2.99Å; D241-V244 VanDerWaalsContact O-N 3.14Å; D241-D245 PolarHBondContact O-N 3.01Å
242S69.6Low71.3Confident46 Ų4669.4 Ų69.432%0.32235%0.348SS..Hα-helixtrans-60.1-39.8173-57.80000111.9L238 D239 M246L238-S242 VanDerWaalsContact O-CB 3.3Å; L238-S242 WeakPolarHBondContact O-CB 3.31Å; L238-S242 PolarHBondContact O-N 3.29Å; L238-S242 PolarHBondContact O-OG 2.97Å; D239-S242 PolarHBondContact O-N 3.36Å; S242-M246 WeakPolarHBondContact O-CB 2.91Å; S242-M246 WeakPolarHBondContact O-CG 3.38Å; S242-M246 PolarHBondContact O-N 2.93Å
243F71.8Confident69.7Low16 Ų1663.5 Ų63.57%0.0731%0.314CS..Hα-helixtrans-67.9-36.4174.1-83.6-56.6000113.5I46 I50 A54 L55 D239 I240 D241 D247I46-F243 HydrophobicContact CG2-CD2 3.98Å; I46-F243 HydrophobicContact CG2-CG 4.34Å; I50-F243 HydrophobicContact CD1-CE2 3.93Å; I50-F243 HydrophobicContact CG1-CD2 4.44Å; I50-F243 HydrophobicContact CG1-CE2 3.53Å; I50-F243 HydrophobicContact CG1-CZ 3.78Å; A54-F243 HydrophobicContact CB-CE1 3.65Å; A54-F243 HydrophobicContact CB-CZ 3.98Å; L55-F243 HydrophobicContact CD2-CE2 3.56Å; L55-F243 HydrophobicContact CD2-CZ 3.76Å; L55-F243 HydrophobicContact CG-CE2 3.88Å; L55-F243 HydrophobicContact CG-CZ 3.83Å; D239-F243 WeakPolarHBondContact O-CD2 2.94Å; D239-F243 PolarHBondContact O-N 3.34Å; I240-F243 WeakPolarHBondContact O-CB 3.37Å; I240-F243 PolarHBondContact O-N 2.92Å; D241-F243 VanDerWaalsContact C-N 3.32Å; D241-F243 PolarHBondContact O-N 2.93Å; F243-D247 WeakPolarHBondContact O-CB 2.95Å; F243-D247 PolarHBondContact O-N 2.85Å
244V73.5Confident68.1Low63 Ų6367 Ų6738%0.38233%0.328SS..Hα-helixtrans-72-46.8178.4169.80000110.9M215 I240 D241 D247 R248M215-V244 HydrophobicContact CE-CG2 4.28Å; I240-V244 WeakPolarHBondContact O-CG2 3.49Å; I240-V244 PolarHBondContact O-N 3.16Å; D241-V244 PolarHBondContact O-N 2.99Å; D241-V244 VanDerWaalsContact O-N 3.14Å; V244-D247 PolarHBondContact O-N 3.44Å; V244-R248 VanDerWaalsContact O-CB 3.27Å; V244-R248 WeakPolarHBondContact O-CB 3.15Å; V244-R248 PolarHBondContact O-N 2.85Å
245D66.3Low66.5Low62 Ų6262.2 Ų62.233%0.33232%0.321SS..Hα-helixtrans-70.3-36178.5-16363.1000111.8D241 R248 I249D241-D245 PolarHBondContact O-N 3.01Å; D245-R248 CarbonylContact O-C 3.31Å; D245-R248 WeakPolarHBondContact O-CB 3.3Å; D245-R248 PolarHBondContact O-N 3.49Å; D245-R248 IonicContact OD1-CZ 2.74Å; D245-R248 IonicContact OD1-NH1 3.84Å; D245-R248 PolarHBondContact OD1-NH1 2.83Å; D245-I249 WeakPolarHBondContact O-CB 3.27Å; D245-I249 VanDerWaalsContact O-CG1 3.25Å; D245-I249 WeakPolarHBondContact O-CG1 3.36Å; D245-I249 PolarHBondContact O-N 2.55Å; D245-I249 WeakPolarHBondContact OD2-CD1 3.41Å
246M65.6Low64.7Low91 Ų9168.4 Ų68.445%0.44835%0.35SS..Hα-helixtrans-60.9-47.5169.4-77.7-74.2-87.800111.8S242 R248 I249 W250S242-M246 WeakPolarHBondContact O-CB 2.91Å; S242-M246 WeakPolarHBondContact O-CG 3.38Å; S242-M246 PolarHBondContact O-N 2.93Å; M246-R248 VanDerWaalsContact C-N 3.28Å; M246-R248 PolarHBondContact O-N 2.97Å; M246-I249 PolarHBondContact O-N 2.86Å; M246-W250 PolarHBondContact O-N 2.77Å
247D67.4Low63Low67 Ų6768.8 Ų68.836%0.35835%0.346SS..Hα-helixtrans-63.1-36.6177.3-160.893.8000112K49 F243 V244 W250 S251K49-D247 IonicContact NZ-OD1 2.93Å; K49-D247 PolarHBondContact NZ-OD1 3.12Å; F243-D247 WeakPolarHBondContact O-CB 2.95Å; F243-D247 PolarHBondContact O-N 2.85Å; V244-D247 PolarHBondContact O-N 3.44Å; D247-W250 PolarHBondContact O-N 3.29Å; D247-S251 WeakPolarHBondContact O-CB 3.38Å; D247-S251 PolarHBondContact O-N 2.95Å; D247-S251 PolarHBondContact O-OG 3.34Å; D247-S251 PolarHBondContact OD2-OG 2.83Å
248R65.7Low61.4Low159 Ų15971.1 Ų71.160%0.637%0.368SS*.Hα-helixtrans-63.5-45.7172.5179-173175.7-146.87.1112.1V244 D245 M246 S251 V252V244-R248 VanDerWaalsContact O-CB 3.27Å; V244-R248 WeakPolarHBondContact O-CB 3.15Å; V244-R248 PolarHBondContact O-N 2.85Å; D245-R248 CarbonylContact O-C 3.31Å; D245-R248 WeakPolarHBondContact O-CB 3.3Å; D245-R248 PolarHBondContact O-N 3.49Å; D245-R248 IonicContact OD1-CZ 2.74Å; D245-R248 IonicContact OD1-NH1 3.84Å; D245-R248 PolarHBondContact OD1-NH1 2.83Å; M246-R248 VanDerWaalsContact C-N 3.28Å; M246-R248 PolarHBondContact O-N 2.97Å; R248-S251 PolarHBondContact O-N 3.02Å; R248-V252 HydrophobicContact CG-CG2 4.38Å; R248-V252 WeakPolarHBondContact O-CB 3.42Å; R248-V252 VanDerWaalsContact O-CG2 3.3Å; R248-V252 WeakPolarHBondContact O-CG2 3.34Å; R248-V252 PolarHBondContact O-N 3.48Å
249I59.4Low60.2Low91 Ų9174.2 Ų74.247%0.46739%0.393SS..Hα-helixtrans-60.6-48.5175.2-72.3164.6000109.7D245 M246 S251 A253D245-I249 WeakPolarHBondContact O-CB 3.27Å; D245-I249 VanDerWaalsContact O-CG1 3.25Å; D245-I249 WeakPolarHBondContact O-CG1 3.36Å; D245-I249 PolarHBondContact O-N 2.55Å; D245-I249 WeakPolarHBondContact OD2-CD1 3.41Å; M246-I249 PolarHBondContact O-N 2.86Å; I249-S251 VanDerWaalsContact C-N 3.3Å; I249-S251 PolarHBondContact O-N 3.19Å; I249-A253 WeakPolarHBondContact O-CB 3.47Å; I249-A253 PolarHBondContact O-N 2.9Å
250W59.9Low58.6Low134 Ų13475.6 Ų75.651%0.50841%0.405SS..Hα-helixtrans-63.9-33.6176.7-75.1111.8000112.9M246 D247 K254M246-W250 PolarHBondContact O-N 2.77Å; D247-W250 PolarHBondContact O-N 3.29Å; W250-K254 WeakPolarHBondContact O-CB 3.45Å; W250-K254 VanDerWaalsContact O-CG 3.23Å; W250-K254 WeakPolarHBondContact O-CG 3.01Å; W250-K254 PolarHBondContact O-N 3.38Å
251S61Low56.4Low43 Ų4382.2 Ų82.230%0.30144%0.44SS..Hα-helixtrans-80.2-39.6179.7-68.70000113D247 R248 I249 A253 K254 V255D247-S251 WeakPolarHBondContact O-CB 3.38Å; D247-S251 PolarHBondContact O-N 2.95Å; D247-S251 PolarHBondContact O-OG 3.34Å; D247-S251 PolarHBondContact OD2-OG 2.83Å; R248-S251 PolarHBondContact O-N 3.02Å; I249-S251 VanDerWaalsContact C-N 3.3Å; I249-S251 PolarHBondContact O-N 3.19Å; S251-A253 VanDerWaalsContact C-N 3.32Å; S251-K254 WeakPolarHBondContact O-CB 2.96Å; S251-K254 PolarHBondContact O-N 3.45Å; S251-V255 WeakPolarHBondContact O-CG2 3.3Å; S251-V255 PolarHBondContact O-N 2.02Å
252V54.2Low54.8Low70 Ų7085.8 Ų85.842%0.42447%0.469SS..Hα-helixtrans-62.1-43.3168.8169.50000109.8R248 K254 V255 Q256R248-V252 HydrophobicContact CG-CG2 4.38Å; R248-V252 WeakPolarHBondContact O-CB 3.42Å; R248-V252 VanDerWaalsContact O-CG2 3.3Å; R248-V252 WeakPolarHBondContact O-CG2 3.34Å; R248-V252 PolarHBondContact O-N 3.48Å; V252-K254 VanDerWaalsContact C-N 3.35Å; V252-K254 PolarHBondContact O-N 2.75Å; V252-V255 PolarHBondContact O-N 3.48Å; V252-Q256 HydrophobicContact CG1-CG 4.38Å; V252-Q256 WeakPolarHBondContact O-CB 3.05Å; V252-Q256 WeakPolarHBondContact O-CG 3.36Å; V252-Q256 PolarHBondContact O-N 3.17Å
253A50.3Low53.6Low18 Ų1887.2 Ų87.215%0.14947%0.471CS..Hα-helixtrans-61.2-41.3173.200000111.7I249 S251 Q256 R257I249-A253 WeakPolarHBondContact O-CB 3.47Å; I249-A253 PolarHBondContact O-N 2.9Å; S251-A253 VanDerWaalsContact C-N 3.32Å; A253-Q256 PolarHBondContact O-N 3.32Å; A253-R257 WeakPolarHBondContact O-CB 3.33Å; A253-R257 WeakPolarHBondContact O-CD 3.24Å; A253-R257 WeakPolarHBondContact O-CG 3.39Å; A253-R257 PolarHBondContact O-N 2.84Å; A253-R257 PolarHBondContact O-NE 2.83Å
254K48.9Very low52.4Low123 Ų12391.2 Ų91.254%0.53550%0.497SS..Hα-helixtrans-59.7-42.9172.2-78166-174.5171.30112.5W250 S251 V252 R257 A258W250-K254 WeakPolarHBondContact O-CB 3.45Å; W250-K254 VanDerWaalsContact O-CG 3.23Å; W250-K254 WeakPolarHBondContact O-CG 3.01Å; W250-K254 PolarHBondContact O-N 3.38Å; S251-K254 WeakPolarHBondContact O-CB 2.96Å; S251-K254 PolarHBondContact O-N 3.45Å; V252-K254 VanDerWaalsContact C-N 3.35Å; V252-K254 PolarHBondContact O-N 2.75Å; K254-R257 PolarHBondContact O-N 3.47Å; K254-A258 WeakPolarHBondContact O-CB 3.1Å; K254-A258 PolarHBondContact O-N 3.44Å
255V49.8Very low51.6Low108 Ų10890.4 Ų90.466%0.65549%0.493SS*.Hα-helixtrans-66.8-41.1177.4172.80000111.4S251 V252 R257 A258S251-V255 WeakPolarHBondContact O-CG2 3.3Å; S251-V255 PolarHBondContact O-N 2.02Å; V252-V255 PolarHBondContact O-N 3.48Å; V255-R257 VanDerWaalsContact C-N 3.32Å; V255-R257 PolarHBondContact O-N 3.48Å; V255-A258 PolarHBondContact O-N 2.83Å
256Q46.5Very low51.5Low136 Ų13689 Ų8964%0.63649%0.494SS*.Hα-helixtrans-67.9-28.9174.4-70.8172.2-20.800113.1V252 A253 S259V252-Q256 HydrophobicContact CG1-CG 4.38Å; V252-Q256 WeakPolarHBondContact O-CB 3.05Å; V252-Q256 WeakPolarHBondContact O-CG 3.36Å; V252-Q256 PolarHBondContact O-N 3.17Å; A253-Q256 PolarHBondContact O-N 3.32Å; Q256-S259 PolarHBondContact O-OG 2.51Å
257R42.7Very low52.2Low69 Ų6985.9 Ų85.926%0.2649%0.485SS..Hα-helixtrans-74.3-32.1170.4-67.4153.5-168.3-172.710.4111.7A253 K254 V255 S259 S260 C265A253-R257 WeakPolarHBondContact O-CB 3.33Å; A253-R257 WeakPolarHBondContact O-CD 3.24Å; A253-R257 WeakPolarHBondContact O-CG 3.39Å; A253-R257 PolarHBondContact O-N 2.84Å; A253-R257 PolarHBondContact O-NE 2.83Å; K254-R257 PolarHBondContact O-N 3.47Å; V255-R257 VanDerWaalsContact C-N 3.32Å; V255-R257 PolarHBondContact O-N 3.48Å; R257-S259 VanDerWaalsContact C-N 3.25Å; R257-S259 PolarHBondContact O-N 2.92Å; R257-S260 PolarHBondContact O-N 2.99Å; R257-S260 VanDerWaalsContact O-N 3.15Å; R257-S260 PolarHBondContact O-OG 3.11Å; R257-C265 WeakPolarHBondContact CD-SG 3.25Å; R257-C265 HydrophobicContact CG-CB 3.96Å
258A40.4Very low53.1Low80 Ų8087.7 Ų87.766%0.66149%0.493SS*.Hα-helixtrans-72.6-10.6-176.500000114.6K254 V255 S260K254-A258 WeakPolarHBondContact O-CB 3.1Å; K254-A258 PolarHBondContact O-N 3.44Å; V255-A258 PolarHBondContact O-N 2.83Å; A258-S260 PolarHBondContact O-N 2.96Å
259S43.3Very low54.2Low106 Ų10680.2 Ų80.274%0.74147%0.465SS*.THydrogen-bonded Turntrans-757.7165.939.30000114.2Q256 R257Q256-S259 PolarHBondContact O-OG 2.51Å; R257-S259 VanDerWaalsContact C-N 3.25Å; R257-S259 PolarHBondContact O-N 2.92Å
260S39.9Very low55.5Low51 Ų5181.4 Ų81.436%0.35748%0.477SS..SBendtrans-142.8129169.251.50000109.8R257 A258 S262R257-S260 PolarHBondContact O-N 2.99Å; R257-S260 VanDerWaalsContact O-N 3.15Å; R257-S260 PolarHBondContact O-OG 3.11Å; A258-S260 PolarHBondContact O-N 2.96Å; S260-S262 PolarHBondContact O-N 3.15Å
261D35.9Very low56.9Low139 Ų13981.8 Ų81.874%0.74348%0.484SS*.THydrogen-bonded Turntrans-56122.8-174.8-67.8-66.6000113.3Q263D261-Q263 VanDerWaalsContact C-N 3.26Å; D261-Q263 VanDerWaalsContact O-CG 3.27Å; D261-Q263 WeakPolarHBondContact O-CG 3.47Å; D261-Q263 PolarHBondContact O-N 3.43Å
262S38.6Very low58.4Low129 Ų12980.8 Ų80.890%0.90248%0.481SS*.THydrogen-bonded Turntrans38.733.3156.8600000119.6S260S260-S262 PolarHBondContact O-N 3.15Å
263Q44.3Very low60.3Low76 Ų7680 Ų8036%0.35547%0.472SS..  trans-88.6147.2180-76.2163.527.500113.4D261 C265 S318D261-Q263 VanDerWaalsContact C-N 3.26Å; D261-Q263 VanDerWaalsContact O-CG 3.27Å; D261-Q263 WeakPolarHBondContact O-CG 3.47Å; D261-Q263 PolarHBondContact O-N 3.43Å; Q263-C265 VanDerWaalsContact C-N 3.27Å; Q263-C265 PolarHBondContact O-N 3.05Å; Q263-S318 VanDerWaalsContact OE1-C 3.27Å; Q263-S318 PolarHBondContact OE1-O 3.01Å
264T47.2Very low62.4Low101 Ų10181.4 Ų81.462%0.6248%0.478SS*.  trans-75.875.7-177.745.80000111.4G266 G267 S319T264-G266 VanDerWaalsContact C-N 3.34Å; T264-G266 PolarHBondContact O-N 2.89Å; T264-G267 PolarHBondContact O-N 2.9Å; T264-G267 VanDerWaalsContact O-N 3.11Å; T264-S319 PolarHBondContact OG1-O 2.77Å
265C55.9Low64.6Low46 Ų4677.1 Ų77.131%0.31146%0.464SS..THydrogen-bonded Turntrans-54.778.9-175.356.30000115.6R257 Q263 F323R257-C265 WeakPolarHBondContact CD-SG 3.25Å; R257-C265 HydrophobicContact CG-CB 3.96Å; Q263-C265 VanDerWaalsContact C-N 3.27Å; Q263-C265 PolarHBondContact O-N 3.05Å; C265-F323 WeakPolarHBondContact O-CE2 3.34Å
266G65.1Low66.9Low33 Ų3372 Ų7234%0.3443%0.433SS..THydrogen-bonded Turntrans138.55.3178.300000115.4T264T264-G266 VanDerWaalsContact C-N 3.34Å; T264-G266 PolarHBondContact O-N 2.89Å
267G80.6Confident69.3Low25 Ų2565.9 Ų65.926%0.25841%0.405SS..PPolyproline II helixtrans-57.6145.6170.200000111.6T264 P269 I320 C371T264-G267 PolarHBondContact O-N 2.9Å; T264-G267 VanDerWaalsContact O-N 3.11Å; G267-P269 WeakPolarHBondContact O-CD 3.49Å; G267-I320 VanDerWaalsContact CA-O 3.24Å; G267-I320 WeakPolarHBondContact CA-O 3.12Å; G267-I320 PolarHBondContact N-O 3Å; G267-C371 VanDerWaalsContact O-CB 3.3Å; G267-C371 WeakPolarHBondContact O-CB 3.31Å
268I86Confident71.8Confident105 Ų10563 Ų6354%0.53839%0.394SS..PPolyproline II helixtrans-85.5119.5177.1-54.9-178.6000107.9T270I268-T270 PolarHBondContact O-N 3.08Å
269P87.9Confident74.5Confident2 Ų259.2 Ų59.21%0.01336%0.363CS..PPolyproline II helixtrans-54.4136.4170-27.237.3000111G267 F273 L313 E317 C321 W413G267-P269 WeakPolarHBondContact O-CD 3.49Å; P269-F273 HydrophobicContact CB-CE1 4.22Å; P269-F273 HydrophobicContact CB-CE2 4.39Å; P269-F273 HydrophobicContact CB-CZ 3.75Å; P269-F273 WeakPolarHBondContact O-CE2 3.26Å; P269-F273 VanDerWaalsContact O-CZ 3.27Å; P269-F273 WeakPolarHBondContact O-CZ 3.27Å; P269-L313 HydrophobicContact CB-CD1 3.95Å; P269-L313 HydrophobicContact CB-CD2 4.09Å; P269-L313 HydrophobicContact CB-CG 4.33Å; P269-L313 HydrophobicContact CG-CD1 3.8Å; P269-E317 WeakPolarHBondContact CB-OE2 3.47Å; P269-C321 HydrophobicContact CG-CB 4.14Å; P269-W413 HydrophobicContact CG-CZ2 3.99Å
270T86.7Confident76.9Confident115 Ų11555.5 Ų55.571%0.70633%0.333SS*.  trans-112.4-14-177.856.30000113.6I268I268-T270 PolarHBondContact O-N 3.08Å
271Q89.9Confident79.5Confident143 Ų14354 Ų5467%0.66832%0.321SS*.SBendtrans-133.8-166.9-178.6-58-168.922.200109.6F273 L313Q271-F273 PolarHBondContact O-N 2.96Å; Q271-L313 VanDerWaalsContact O-CD2 3.24Å; Q271-L313 WeakPolarHBondContact O-CD2 3.27Å
272G91.6Very high82.1Confident22 Ų2253.9 Ų53.923%0.22731%0.314CS..  trans68.3-10.2174.800000116.8S314G272-S314 WeakPolarHBondContact O-CB 3.43Å; G272-S314 PolarHBondContact O-N 3.38Å; G272-S314 PolarHBondContact O-OG 3.34Å
273F94.5Very high84.5Confident54 Ų5458.8 Ų58.824%0.23731%0.312CS..EExtended strand (participates in β ladder)trans-65.3142-178.7-69.2-55.1000113.5P269 Q271 K311 I312 L313 W413P269-F273 HydrophobicContact CB-CE1 4.22Å; P269-F273 HydrophobicContact CB-CE2 4.39Å; P269-F273 HydrophobicContact CB-CZ 3.75Å; P269-F273 WeakPolarHBondContact O-CE2 3.26Å; P269-F273 VanDerWaalsContact O-CZ 3.27Å; P269-F273 WeakPolarHBondContact O-CZ 3.27Å; Q271-F273 PolarHBondContact O-N 2.96Å; F273-K311 HydrophobicContact CB-CB 4.14Å; F273-K311 HydrophobicContact CB-CD 4.14Å; F273-K311 HydrophobicContact CD1-CB 4.12Å; F273-K311 HydrophobicContact CG-CB 4.25Å; F273-K311 HydrophobicContact CG-CD 4.43Å; F273-I312 CarbonylContact C-O 3.21Å; F273-I312 WeakPolarHBondContact CA-O 3.45Å; F273-L313 HydrophobicContact CD1-CD2 3.89Å; F273-L313 HydrophobicContact CD1-CG 4.14Å; F273-L313 HydrophobicContact CE1-CD2 3.99Å; F273-L313 HydrophobicContact CE1-CG 4.01Å; F273-L313 HydrophobicContact CG-CD2 4.45Å; F273-W413 HydrophobicContact CD1-CD2 4.46Å; F273-W413 HydrophobicContact CD1-CE3 4.32Å; F273-W413 HydrophobicContact CE1-CB 4.07Å; F273-W413 AromaticContact CE1-CD2 3.42Å; F273-W413 HydrophobicContact CE1-CD2 3.42Å; F273-W413 VanDerWaalsContact CE1-CD2 3.42Å; F273-W413 AromaticContact CE1-CE2 3.97Å; F273-W413 AromaticContact CE1-CE3 3.59Å; F273-W413 HydrophobicContact CE1-CE3 3.59Å; F273-W413 AromaticContact CE1-CG 3.62Å; F273-W413 HydrophobicContact CE1-CG 3.62Å; F273-W413 HydrophobicContact CE1-CZ3 4.27Å; F273-W413 HydrophobicContact CZ-CB 4.27Å; F273-W413 AromaticContact CZ-CD1 3.88Å; F273-W413 AromaticContact CZ-CD2 3.89Å; F273-W413 HydrophobicContact CZ-CD2 3.89Å; F273-W413 HydrophobicContact CZ-CE3 4.49Å; F273-W413 AromaticContact CZ-CG 3.73Å; F273-W413 HydrophobicContact CZ-CG 3.73Å
274T94.7Very high86.7Confident46 Ų4658.1 Ų58.128%0.28231%0.314SS..EExtended strand (participates in β ladder)trans-124.4136.6167-50.40000109.2L276 N291 K311 I312T274-L276 PolarHBondContact O-N 2.93Å; T274-N291 HydrophobicContact CG2-CB 3.56Å; T274-K311 VanDerWaalsContact O-CA 3.32Å; T274-K311 WeakPolarHBondContact O-CA 3.47Å; T274-I312 PolarHBondContact N-O 3.06Å; T274-I312 PolarHBondContact O-N 3.09Å
275C95.9Very high88.6Confident34 Ų3458.8 Ų58.823%0.2331%0.308CS..EExtended strand (participates in β ladder)trans-65.3133.2175.1-65.40000109.9N291 Q308C275-N291 WeakPolarHBondContact O-CA 3.41Å; C275-Q308 HydrophobicContact CB-CG 4.37Å
276L96.5Very high90.2Very high0 Ų057.1 Ų57.10%030%0.296CS..EExtended strand (participates in β ladder)trans-108.9122.9-179.7-172.271.5000108.5T274 L289 Q308 V309 G310 I312 L361 I412T274-L276 PolarHBondContact O-N 2.93Å; L276-L289 HydrophobicContact CD1-CB 4.02Å; L276-L289 HydrophobicContact CD2-CB 4.17Å; L276-L289 HydrophobicContact CD2-CD1 4.28Å; L276-L289 HydrophobicContact CG-CB 4.18Å; L276-Q308 CarbonylContact O-C 3.56Å; L276-Q308 WeakPolarHBondContact O-CA 3.45Å; L276-V309 HydrophobicContact CB-CG2 4.36Å; L276-V309 HydrophobicContact CD2-CG2 4.09Å; L276-V309 HydrophobicContact CG-CG2 4.11Å; L276-V309 WeakPolarHBondContact O-CG2 3.46Å; L276-V309 PolarHBondContact O-N 3.1Å; L276-G310 PolarHBondContact N-O 3.05Å; L276-I312 HydrophobicContact CB-CG2 4.44Å; L276-I312 HydrophobicContact CD1-CG2 4.33Å; L276-L361 HydrophobicContact CD1-CD1 3.82Å; L276-L361 HydrophobicContact CD1-CD2 3.93Å; L276-L361 HydrophobicContact CD1-CG 4.05Å; L276-L361 HydrophobicContact CD2-CD2 4.24Å; L276-I412 HydrophobicContact CD2-CD1 3.88Å
277S96.6Very high91.6Very high8 Ų855.6 Ų55.66%0.05628%0.28CS..EExtended strand (participates in β ladder)trans-109.2150.9176.4-63.60000111.5L289 A290 G307S277-L289 WeakPolarHBondContact O-CA 3.35Å; S277-A290 PolarHBondContact N-O 2.78Å; S277-A290 PolarHBondContact O-N 3.25Å; S277-G307 CarbonylContact C-O 3.53Å; S277-G307 WeakPolarHBondContact CA-O 3.49Å; S277-G307 WeakPolarHBondContact CB-O 3.49Å
278R96.1Very high92.3Very high8 Ų856.9 Ų56.93%0.0328%0.277CS..EExtended strand (participates in β ladder)trans-94129.5170.3177.6176.7179.3-89-11.4110N287 R288 L289 F306 G307 V309 M394R278-N287 PolarHBondContact NE-OD1 3.38Å; R278-N287 PolarHBondContact NH2-OD1 3.48Å; R278-R288 WeakPolarHBondContact CA-O 3.32Å; R278-L289 HydrophobicContact CB-CD2 3.97Å; R278-L289 HydrophobicContact CG-CD2 4.25Å; R278-F306 PolarHBondContact O-N 3.48Å; R278-G307 PolarHBondContact N-O 3.09Å; R278-V309 HydrophobicContact CB-CG1 3.62Å; R278-M394 PolarHBondContact NH1-SD 3.21Å
279L96.8Very high92.9Very high0 Ų052 Ų520%025%0.252CS..EExtended strand (participates in β ladder)trans-126.5150.1175.2-59.397.8000110.7R288 A290 A295 L298 E299 F303 T304 N305L279-R288 HydrophobicContact CB-CB 4.47Å; L279-R288 PolarHBondContact N-O 3.37Å; L279-R288 PolarHBondContact O-N 3.14Å; L279-A290 HydrophobicContact CD1-CB 3.74Å; L279-A295 HydrophobicContact CD1-CB 3.74Å; L279-A295 HydrophobicContact CD2-CB 4.03Å; L279-A295 HydrophobicContact CG-CB 4.49Å; L279-L298 HydrophobicContact CD1-CD1 4.42Å; L279-L298 HydrophobicContact CD2-CB 4Å; L279-E299 HydrophobicContact CD2-CG 3.91Å; L279-F303 HydrophobicContact CB-CB 4.11Å; L279-F303 HydrophobicContact CB-CD1 4.19Å; L279-F303 HydrophobicContact CD2-CB 4.32Å; L279-T304 CarbonylContact C-O 3.58Å; L279-T304 VanDerWaalsContact CA-O 3.29Å; L279-T304 WeakPolarHBondContact CA-O 3.16Å; L279-N305 HydrophobicContact CD2-CB 3.82Å; L279-N305 HydrophobicContact CG-CB 4.09Å
280Y95Very high93.2Very high29 Ų2952 Ų5211%0.11425%0.253CS..EExtended strand (participates in β ladder)trans-142.8137-178-167.5-106.5000111.7F282 K285 D286 N287 F303 T304 F306 I388Y280-F282 AromaticContact CD1-CD1 3.79Å; Y280-F282 HydrophobicContact CD1-CD1 3.79Å; Y280-F282 HydrophobicContact CD1-CD2 4.29Å; Y280-F282 AromaticContact CD1-CE1 3.89Å; Y280-F282 HydrophobicContact CD1-CE1 3.89Å; Y280-F282 HydrophobicContact CD1-CE2 4.38Å; Y280-F282 HydrophobicContact CD1-CG 4Å; Y280-F282 HydrophobicContact CD1-CZ 4.2Å; Y280-F282 AromaticContact CE1-CD1 3.71Å; Y280-F282 HydrophobicContact CE1-CD1 3.71Å; Y280-F282 HydrophobicContact CE1-CE1 4.05Å; Y280-F282 HydrophobicContact CE1-CG 4.19Å; Y280-K285 WeakPolarHBondContact CE2-O 3.34Å; Y280-K285 WeakPolarHBondContact OH-CA 3.22Å; Y280-K285 WeakPolarHBondContact OH-CB 3.5Å; Y280-K285 PolarHBondContact OH-O 3.03Å; Y280-D286 WeakPolarHBondContact CA-O 3.36Å; Y280-D286 WeakPolarHBondContact CD2-O 3.48Å; Y280-N287 HydrophobicContact CD2-CB 3.95Å; Y280-N287 HydrophobicContact CE2-CB 4.19Å; Y280-F303 WeakPolarHBondContact O-CA 3.25Å; Y280-T304 PolarHBondContact N-O 3.1Å; Y280-T304 PolarHBondContact O-N 2.75Å; Y280-F306 HydrophobicContact CG-CE2 4.45Å; Y280-I388 HydrophobicContact CE2-CD1 4.43Å
281N94Very high93.6Very high19 Ų1949 Ų4910%0.10223%0.232CC..  trans-106.8104.8174.1-172.6-39.8000110.1R283 T284 K285 D286 F303N281-R283 PolarHBondContact O-N 3.19Å; N281-R283 VanDerWaalsContact O-N 3.08Å; N281-R283 VanDerWaalsContact OD1-CB 3.31Å; N281-R283 WeakPolarHBondContact OD1-CB 3.47Å; N281-R283 PolarHBondContact OD1-N 3.4Å; N281-T284 WeakPolarHBondContact CB-OG1 3.31Å; N281-T284 PolarHBondContact O-N 3.2Å; N281-T284 PolarHBondContact OD1-N 3.06Å; N281-K285 VanDerWaalsContact O-CA 3.31Å; N281-K285 WeakPolarHBondContact O-CA 3.36Å; N281-K285 PolarHBondContact O-N 2.96Å; N281-D286 PolarHBondContact N-O 2.82Å; N281-F303 HydrophobicContact CB-CD1 3.69Å; N281-F303 HydrophobicContact CB-CD2 3.96Å; N281-F303 HydrophobicContact CB-CE1 3.61Å; N281-F303 HydrophobicContact CB-CE2 3.9Å; N281-F303 HydrophobicContact CB-CG 3.84Å; N281-F303 HydrophobicContact CB-CZ 3.73Å
282F90.7Very high93.7Very high137 Ų13746 Ų4660%0.60122%0.223SC*.THydrogen-bonded Turntrans-61.2-18.1-178.6-67.9-81.5000114.5Y280 T304 F306Y280-F282 AromaticContact CD1-CD1 3.79Å; Y280-F282 HydrophobicContact CD1-CD1 3.79Å; Y280-F282 HydrophobicContact CD1-CD2 4.29Å; Y280-F282 AromaticContact CD1-CE1 3.89Å; Y280-F282 HydrophobicContact CD1-CE1 3.89Å; Y280-F282 HydrophobicContact CD1-CE2 4.38Å; Y280-F282 HydrophobicContact CD1-CG 4Å; Y280-F282 HydrophobicContact CD1-CZ 4.2Å; Y280-F282 AromaticContact CE1-CD1 3.71Å; Y280-F282 HydrophobicContact CE1-CD1 3.71Å; Y280-F282 HydrophobicContact CE1-CE1 4.05Å; Y280-F282 HydrophobicContact CE1-CG 4.19Å; F282-T304 HydrophobicContact CE2-CG2 4.31Å; F282-T304 WeakPolarHBondContact CE2-OG1 3.38Å; F282-F306 AromaticContact CZ-CZ 3.99Å; F282-F306 HydrophobicContact CZ-CZ 3.99Å
283R89.3Confident93.7Very high232 Ų23249.5 Ų49.588%0.87524%0.241SC*.THydrogen-bonded Turntrans-82.8-38.5177.4-170.7-173.7-62.7-134.30.3112.3N281N281-R283 PolarHBondContact O-N 3.19Å; N281-R283 VanDerWaalsContact O-N 3.08Å; N281-R283 VanDerWaalsContact OD1-CB 3.31Å; N281-R283 WeakPolarHBondContact OD1-CB 3.47Å; N281-R283 PolarHBondContact OD1-N 3.4Å
284T88.6Confident93.7Very high62 Ų6249.7 Ų49.738%0.3825%0.246SC..THydrogen-bonded Turntrans-102.1-8.8-178.160.50000113.9N281 D286N281-T284 WeakPolarHBondContact CB-OG1 3.31Å; N281-T284 PolarHBondContact O-N 3.2Å; N281-T284 PolarHBondContact OD1-N 3.06Å; T284-D286 PolarHBondContact O-N 3.37Å; T284-D286 WeakPolarHBondContact OG1-CB 3.43Å; T284-D286 PolarHBondContact OG1-N 3.2Å
285K88.2Confident93.8Very high115 Ų11547.6 Ų47.650%0.523%0.233SC..  trans62.58-169.4-59.7-179.4175.2179.70115.6Y280 N281 D385Y280-K285 WeakPolarHBondContact CE2-O 3.34Å; Y280-K285 WeakPolarHBondContact OH-CA 3.22Å; Y280-K285 WeakPolarHBondContact OH-CB 3.5Å; Y280-K285 PolarHBondContact OH-O 3.03Å; N281-K285 VanDerWaalsContact O-CA 3.31Å; N281-K285 WeakPolarHBondContact O-CA 3.36Å; N281-K285 PolarHBondContact O-N 2.96Å; K285-D385 WeakPolarHBondContact CD-OD1 3.22Å; K285-D385 IonicContact NZ-OD1 3.77Å; K285-D385 PolarHBondContact NZ-OD1 3.2Å
286D90.1Very high93.8Very high10 Ų1048.5 Ų48.55%0.05324%0.238CC..  trans-69.7130.6-176.4-173.911.7000111.9Y280 N281 T284 R288 F303 T338Y280-D286 WeakPolarHBondContact CA-O 3.36Å; Y280-D286 WeakPolarHBondContact CD2-O 3.48Å; N281-D286 PolarHBondContact N-O 2.82Å; T284-D286 PolarHBondContact O-N 3.37Å; T284-D286 WeakPolarHBondContact OG1-CB 3.43Å; T284-D286 PolarHBondContact OG1-N 3.2Å; D286-R288 IonicContact OD1-CZ 3.17Å; D286-R288 IonicContact OD1-NE 2.77Å; D286-R288 PolarHBondContact OD1-NE 2.85Å; D286-R288 IonicContact OD1-NH2 2.73Å; D286-R288 IonicContact OD2-CZ 3.25Å; D286-R288 IonicContact OD2-NE 3.08Å; D286-R288 PolarHBondContact OD2-NE 3.05Å; D286-R288 IonicContact OD2-NH2 2.65Å; D286-R288 PolarHBondContact OD2-NH2 2.87Å; D286-F303 HydrophobicContact CB-CE1 4.03Å; D286-F303 HydrophobicContact CB-CZ 4.1Å; D286-T338 PolarHBondContact OD1-OG1 2.89Å
287N94.4Very high93.7Very high1 Ų153.8 Ų53.81%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-112.6111-177.9176.195.7000110.1R278 Y280 I388 Q389R278-N287 PolarHBondContact NE-OD1 3.38Å; R278-N287 PolarHBondContact NH2-OD1 3.48Å; Y280-N287 HydrophobicContact CD2-CB 3.95Å; Y280-N287 HydrophobicContact CE2-CB 4.19Å; N287-I388 HydrophobicContact CB-CD1 4.23Å; N287-I388 HydrophobicContact CB-CG1 3.74Å; N287-I388 VanDerWaalsContact CG-CG1 3.4Å; N287-I388 WeakPolarHBondContact OD1-CG1 3.27Å; N287-Q389 PolarHBondContact ND2-O 2.81Å
288R95.4Very high93.7Very high52 Ų5254.8 Ų54.820%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-109.2139.4-178.6-61.4-69.7178.4167.8-9.3111.2R278 L279 D286 L298 F303 T338R278-R288 WeakPolarHBondContact CA-O 3.32Å; L279-R288 HydrophobicContact CB-CB 4.47Å; L279-R288 PolarHBondContact N-O 3.37Å; L279-R288 PolarHBondContact O-N 3.14Å; D286-R288 IonicContact OD1-CZ 3.17Å; D286-R288 IonicContact OD1-NE 2.77Å; D286-R288 PolarHBondContact OD1-NE 2.85Å; D286-R288 IonicContact OD1-NH2 2.73Å; D286-R288 IonicContact OD2-CZ 3.25Å; D286-R288 IonicContact OD2-NE 3.08Å; D286-R288 PolarHBondContact OD2-NE 3.05Å; D286-R288 IonicContact OD2-NH2 2.65Å; D286-R288 PolarHBondContact OD2-NH2 2.87Å; R288-L298 HydrophobicContact CB-CD1 3.84Å; R288-L298 HydrophobicContact CG-CD1 3.91Å; R288-L298 HydrophobicContact CG-CD2 4.44Å; R288-F303 HydrophobicContact CG-CD1 4.25Å; R288-F303 HydrophobicContact CG-CE1 3.62Å; R288-F303 HydrophobicContact CG-CZ 4.24Å; R288-T338 PolarHBondContact NE-OG1 2.96Å; R288-T338 VanDerWaalsContact NE-OG1 3.08Å; R288-T338 PolarHBondContact NH1-OG1 2.98Å; R288-T338 PolarHBondContact NH2-OG1 3.01Å
289L96.9Very high93.7Very high3 Ų358.3 Ų58.32%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-101.2129.7154.4-56.7-179.3000106.8L276 S277 R278 V309 Y340 L361 I377 F410L276-L289 HydrophobicContact CD1-CB 4.02Å; L276-L289 HydrophobicContact CD2-CB 4.17Å; L276-L289 HydrophobicContact CD2-CD1 4.28Å; L276-L289 HydrophobicContact CG-CB 4.18Å; S277-L289 WeakPolarHBondContact O-CA 3.35Å; R278-L289 HydrophobicContact CB-CD2 3.97Å; R278-L289 HydrophobicContact CG-CD2 4.25Å; L289-V309 HydrophobicContact CD2-CG2 4.21Å; L289-Y340 HydrophobicContact CB-CD2 4.42Å; L289-Y340 HydrophobicContact CB-CE2 3.91Å; L289-Y340 HydrophobicContact CD1-CD2 4.1Å; L289-Y340 HydrophobicContact CD1-CE2 4.35Å; L289-Y340 HydrophobicContact CG-CD2 4.19Å; L289-Y340 HydrophobicContact CG-CE2 3.92Å; L289-Y340 PolarHBondContact N-OH 2.92Å; L289-Y340 PolarHBondContact O-OH 2.99Å; L289-L361 HydrophobicContact CB-CD2 3.99Å; L289-L361 VanDerWaalsContact O-CD1 3.24Å; L289-L361 WeakPolarHBondContact O-CD1 3.24Å; L289-I377 HydrophobicContact CD1-CG2 4.08Å; L289-F410 HydrophobicContact CD1-CZ 4.23Å
290A95.6Very high93.7Very high3 Ų368 Ų683%0.02532%0.321CS..EExtended strand (participates in β ladder)trans-145.7150.4-173.500000112.5S277 L279 V294 A295 L298S277-A290 PolarHBondContact N-O 2.78Å; S277-A290 PolarHBondContact O-N 3.25Å; L279-A290 HydrophobicContact CD1-CB 3.74Å; A290-V294 HydrophobicContact CB-CB 4.1Å; A290-V294 HydrophobicContact CB-CG1 3.95Å; A290-A295 HydrophobicContact CB-CB 4.37Å; A290-L298 HydrophobicContact CB-CD1 3.98Å
291N94.6Very high93.7Very high51 Ų5169.7 Ų69.727%0.27334%0.34SS..EExtended strand (participates in β ladder)trans-71.8166.7167.764.245.2000111.4T274 C275 T293 V294 A295T274-N291 HydrophobicContact CG2-CB 3.56Å; C275-N291 WeakPolarHBondContact O-CA 3.41Å; N291-T293 PolarHBondContact O-N 3.35Å; N291-T293 VanDerWaalsContact O-N 3.14Å; N291-T293 PolarHBondContact OD1-N 2.79Å; N291-V294 PolarHBondContact O-N 3.07Å; N291-V294 WeakPolarHBondContact OD1-CG2 3.11Å; N291-V294 PolarHBondContact OD1-N 3.32Å; N291-A295 VanDerWaalsContact O-CB 3.25Å; N291-A295 WeakPolarHBondContact O-CB 3.37Å; N291-A295 PolarHBondContact O-N 3.05Å
292T92.2Very high93.8Very high79 Ų7971.1 Ų71.149%0.48536%0.36SS..Hα-helixtrans-50.2-39.8-178.2-43.80000114.1T296T292-T296 PolarHBondContact O-N 2.99Å; T292-T296 PolarHBondContact O-OG1 3.29Å
293T92.5Very high94.1Very high97 Ų9765.6 Ų65.660%0.59534%0.336SS*.Hα-helixtrans-67.7-54.7-179.6-48.40000111N291 A295 T296 E297N291-T293 PolarHBondContact O-N 3.35Å; N291-T293 VanDerWaalsContact O-N 3.14Å; N291-T293 PolarHBondContact OD1-N 2.79Å; T293-A295 VanDerWaalsContact C-N 3.29Å; T293-A295 PolarHBondContact O-N 2.87Å; T293-T296 WeakPolarHBondContact O-CB 3.45Å; T293-T296 PolarHBondContact O-N 3.15Å; T293-T296 VanDerWaalsContact O-N 3.14Å; T293-E297 PolarHBondContact O-N 2.93Å
294V94.2Very high94.5Very high57 Ų5757.5 Ų57.535%0.34531%0.312SS..Hα-helixtrans-67.8-30.8-179.1176.60000111.2A290 N291 E297 L298A290-V294 HydrophobicContact CB-CB 4.1Å; A290-V294 HydrophobicContact CB-CG1 3.95Å; N291-V294 PolarHBondContact O-N 3.07Å; N291-V294 WeakPolarHBondContact OD1-CG2 3.11Å; N291-V294 PolarHBondContact OD1-N 3.32Å; V294-E297 PolarHBondContact O-N 2.72Å; V294-L298 HydrophobicContact CG1-CD1 3.96Å; V294-L298 HydrophobicContact CG1-CG 4.27Å; V294-L298 WeakPolarHBondContact O-CB 3.43Å; V294-L298 VanDerWaalsContact O-CG 3.27Å; V294-L298 WeakPolarHBondContact O-CG 3.27Å; V294-L298 PolarHBondContact O-N 3.05Å
295A95.2Very high94.9Very high2 Ų257 Ų572%0.01731%0.307CS..Hα-helixtrans-59-46.917100000111.4L279 A290 N291 T293 E297 L298 E299L279-A295 HydrophobicContact CD1-CB 3.74Å; L279-A295 HydrophobicContact CD2-CB 4.03Å; L279-A295 HydrophobicContact CG-CB 4.49Å; A290-A295 HydrophobicContact CB-CB 4.37Å; N291-A295 VanDerWaalsContact O-CB 3.25Å; N291-A295 WeakPolarHBondContact O-CB 3.37Å; N291-A295 PolarHBondContact O-N 3.05Å; T293-A295 VanDerWaalsContact C-N 3.29Å; T293-A295 PolarHBondContact O-N 2.87Å; A295-E297 VanDerWaalsContact C-N 3.26Å; A295-E297 PolarHBondContact O-N 3.02Å; A295-L298 PolarHBondContact O-N 2.93Å; A295-E299 WeakPolarHBondContact O-CG 3.02Å; A295-E299 PolarHBondContact O-N 3.31Å
296T96.1Very high95.2Very high53 Ų5356.2 Ų56.233%0.32530%0.304SS..Hα-helixtrans-62-33.2177.9-520000112.3T292 T293 E299 R300T292-T296 PolarHBondContact O-N 2.99Å; T292-T296 PolarHBondContact O-OG1 3.29Å; T293-T296 WeakPolarHBondContact O-CB 3.45Å; T293-T296 PolarHBondContact O-N 3.15Å; T293-T296 VanDerWaalsContact O-N 3.14Å; T296-E299 WeakPolarHBondContact CA-OE2 3.31Å; T296-R300 WeakPolarHBondContact O-CG 3.49Å; T296-R300 PolarHBondContact O-N 2.9Å
297E95.9Very high95.4Very high112 Ų11257.1 Ų57.152%0.52332%0.315SS..Hα-helixtrans-73.8-42.2175.6-65.9173.316300111.9T293 V294 A295 R300 A301T293-E297 PolarHBondContact O-N 2.93Å; V294-E297 PolarHBondContact O-N 2.72Å; A295-E297 VanDerWaalsContact C-N 3.26Å; A295-E297 PolarHBondContact O-N 3.02Å; E297-R300 WeakPolarHBondContact O-CB 3.42Å; E297-R300 PolarHBondContact O-N 3.03Å; E297-A301 PolarHBondContact O-N 3.17Å; E297-A301 VanDerWaalsContact O-N 3.09Å
298L95.9Very high95.4Very high29 Ų2961.9 Ų61.915%0.15234%0.338CS..Hα-helixtrans-66.6-36.9176.6-72.6170.4000112.3L279 R288 A290 V294 A295 R300 A301 G302 F303L279-L298 HydrophobicContact CD1-CD1 4.42Å; L279-L298 HydrophobicContact CD2-CB 4Å; R288-L298 HydrophobicContact CB-CD1 3.84Å; R288-L298 HydrophobicContact CG-CD1 3.91Å; R288-L298 HydrophobicContact CG-CD2 4.44Å; A290-L298 HydrophobicContact CB-CD1 3.98Å; V294-L298 HydrophobicContact CG1-CD1 3.96Å; V294-L298 HydrophobicContact CG1-CG 4.27Å; V294-L298 WeakPolarHBondContact O-CB 3.43Å; V294-L298 VanDerWaalsContact O-CG 3.27Å; V294-L298 WeakPolarHBondContact O-CG 3.27Å; V294-L298 PolarHBondContact O-N 3.05Å; A295-L298 PolarHBondContact O-N 2.93Å; L298-R300 VanDerWaalsContact C-N 3.33Å; L298-R300 PolarHBondContact O-N 3.31Å; L298-A301 CarbonylContact O-C 3.35Å; L298-A301 WeakPolarHBondContact O-CA 3.46Å; L298-A301 WeakPolarHBondContact O-CB 3.3Å; L298-A301 PolarHBondContact O-N 3.25Å; L298-G302 PolarHBondContact O-N 3.43Å; L298-F303 HydrophobicContact CB-CB 4.11Å; L298-F303 HydrophobicContact CB-CD2 4.04Å; L298-F303 HydrophobicContact CB-CG 4.02Å; L298-F303 HydrophobicContact CD2-CD2 3.86Å; L298-F303 HydrophobicContact CD2-CE1 4.37Å; L298-F303 HydrophobicContact CD2-CE2 3.67Å; L298-F303 HydrophobicContact CD2-CG 4.31Å; L298-F303 HydrophobicContact CD2-CZ 3.95Å; L298-F303 WeakPolarHBondContact O-CB 3.27Å; L298-F303 WeakPolarHBondContact O-CD2 3.41Å; L298-F303 PolarHBondContact O-N 3.04Å
299E96.7Very high95.4Very high82 Ų8260.1 Ų60.138%0.38333%0.332SS..Hα-helixtrans-58.9-43.6172.6-75.3170.5145.900111.4L279 A295 T296 A301 G302 N305L279-E299 HydrophobicContact CD2-CG 3.91Å; A295-E299 WeakPolarHBondContact O-CG 3.02Å; A295-E299 PolarHBondContact O-N 3.31Å; T296-E299 WeakPolarHBondContact CA-OE2 3.31Å; E299-A301 PolarHBondContact O-N 3.29Å; E299-G302 PolarHBondContact O-N 3.47Å; E299-N305 HydrophobicContact CG-CB 4Å; E299-N305 WeakPolarHBondContact OE1-CB 3.27Å; E299-N305 PolarHBondContact OE1-ND2 3.31Å
300R96.3Very high95.4Very high203 Ų20360 Ų6077%0.76633%0.332SS*.Hα-helixtrans-64.8-28.2173.1-64.8168.2-171.7173.23.6112.7T296 E297 L298 G302T296-R300 WeakPolarHBondContact O-CG 3.49Å; T296-R300 PolarHBondContact O-N 2.9Å; E297-R300 WeakPolarHBondContact O-CB 3.42Å; E297-R300 PolarHBondContact O-N 3.03Å; L298-R300 VanDerWaalsContact C-N 3.33Å; L298-R300 PolarHBondContact O-N 3.31Å; R300-G302 PolarHBondContact O-N 3.33Å
301A94.9Very high95.5Very high64 Ų6462.1 Ų62.153%0.52934%0.341SS..THydrogen-bonded Turntrans-828.117200000113.9E297 L298 E299 F303E297-A301 PolarHBondContact O-N 3.17Å; E297-A301 VanDerWaalsContact O-N 3.09Å; L298-A301 CarbonylContact O-C 3.35Å; L298-A301 WeakPolarHBondContact O-CA 3.46Å; L298-A301 WeakPolarHBondContact O-CB 3.3Å; L298-A301 PolarHBondContact O-N 3.25Å; E299-A301 PolarHBondContact O-N 3.29Å; A301-F303 HydrophobicContact CB-CD2 4.34Å
302G95.4Very high95.5Very high49 Ų4959.8 Ų59.851%0.50533%0.328SS..THydrogen-bonded Turntrans84.819.1174.900000115.3L298 E299 R300L298-G302 PolarHBondContact O-N 3.43Å; E299-G302 PolarHBondContact O-N 3.47Å; R300-G302 PolarHBondContact O-N 3.33Å
303F97.5Very high95.7Very high22 Ų2256 Ų5610%0.09631%0.305CS..PPolyproline II helixtrans-78.7140.2167.3-72.7-113.9000110.6L279 Y280 N281 D286 R288 L298 A301L279-F303 HydrophobicContact CB-CB 4.11Å; L279-F303 HydrophobicContact CB-CD1 4.19Å; L279-F303 HydrophobicContact CD2-CB 4.32Å; Y280-F303 WeakPolarHBondContact O-CA 3.25Å; N281-F303 HydrophobicContact CB-CD1 3.69Å; N281-F303 HydrophobicContact CB-CD2 3.96Å; N281-F303 HydrophobicContact CB-CE1 3.61Å; N281-F303 HydrophobicContact CB-CE2 3.9Å; N281-F303 HydrophobicContact CB-CG 3.84Å; N281-F303 HydrophobicContact CB-CZ 3.73Å; D286-F303 HydrophobicContact CB-CE1 4.03Å; D286-F303 HydrophobicContact CB-CZ 4.1Å; R288-F303 HydrophobicContact CG-CD1 4.25Å; R288-F303 HydrophobicContact CG-CE1 3.62Å; R288-F303 HydrophobicContact CG-CZ 4.24Å; L298-F303 HydrophobicContact CB-CB 4.11Å; L298-F303 HydrophobicContact CB-CD2 4.04Å; L298-F303 HydrophobicContact CB-CG 4.02Å; L298-F303 HydrophobicContact CD2-CD2 3.86Å; L298-F303 HydrophobicContact CD2-CE1 4.37Å; L298-F303 HydrophobicContact CD2-CE2 3.67Å; L298-F303 HydrophobicContact CD2-CG 4.31Å; L298-F303 HydrophobicContact CD2-CZ 3.95Å; L298-F303 WeakPolarHBondContact O-CB 3.27Å; L298-F303 WeakPolarHBondContact O-CD2 3.41Å; L298-F303 PolarHBondContact O-N 3.04Å; A301-F303 HydrophobicContact CB-CD2 4.34Å
304T97.3Very high95.8Very high62 Ų6254.6 Ų54.638%0.3830%0.299SS..EExtended strand (participates in β ladder)trans-83.8126166.8-550000109.4L279 Y280 F282L279-T304 CarbonylContact C-O 3.58Å; L279-T304 VanDerWaalsContact CA-O 3.29Å; L279-T304 WeakPolarHBondContact CA-O 3.16Å; Y280-T304 PolarHBondContact N-O 3.1Å; Y280-T304 PolarHBondContact O-N 2.75Å; F282-T304 HydrophobicContact CE2-CG2 4.31Å; F282-T304 WeakPolarHBondContact CE2-OG1 3.38Å
305N96.9Very high95.7Very high51 Ų5156 Ų5627%0.27330%0.302SS..EExtended strand (participates in β ladder)trans-88.2123.8175.6-174.3-2.7000110.2L279 E299 G307L279-N305 HydrophobicContact CD2-CB 3.82Å; L279-N305 HydrophobicContact CG-CB 4.09Å; E299-N305 HydrophobicContact CG-CB 4Å; E299-N305 WeakPolarHBondContact OE1-CB 3.27Å; E299-N305 PolarHBondContact OE1-ND2 3.31Å; N305-G307 PolarHBondContact OD1-N 2.75Å
306F94.7Very high95.5Very high99 Ų9959.4 Ų59.443%0.43432%0.32SS..EExtended strand (participates in β ladder)trans-93.55.6178-74.4-73000113.1R278 Y280 F282R278-F306 PolarHBondContact O-N 3.48Å; Y280-F306 HydrophobicContact CG-CE2 4.45Å; F282-F306 AromaticContact CZ-CZ 3.99Å; F282-F306 HydrophobicContact CZ-CZ 3.99Å
307G94.1Very high95Very high29 Ų2958.1 Ų58.130%0.29931%0.31SS..EExtended strand (participates in β ladder)trans88.3-173.1-178.900000113.6S277 R278 N305S277-G307 CarbonylContact C-O 3.53Å; S277-G307 WeakPolarHBondContact CA-O 3.49Å; S277-G307 WeakPolarHBondContact CB-O 3.49Å; R278-G307 PolarHBondContact N-O 3.09Å; N305-G307 PolarHBondContact OD1-N 2.75Å
308Q95.6Very high94.4Very high101 Ų10154.3 Ų54.347%0.47230%0.296SS..EExtended strand (participates in β ladder)trans-76.9135.7-172.4-64.2177.4-1.500111.5C275 L276 V415C275-Q308 HydrophobicContact CB-CG 4.37Å; L276-Q308 CarbonylContact O-C 3.56Å; L276-Q308 WeakPolarHBondContact O-CA 3.45Å; Q308-V415 HydrophobicContact CB-CG2 3.88Å
309V95.9Very high93.8Very high14 Ų1456.1 Ų56.19%0.08531%0.311CS..EExtended strand (participates in β ladder)trans-110.4-3.1178.3-56.20000113.1L276 R278 L289 Q375 I377 P391 I412L276-V309 HydrophobicContact CB-CG2 4.36Å; L276-V309 HydrophobicContact CD2-CG2 4.09Å; L276-V309 HydrophobicContact CG-CG2 4.11Å; L276-V309 WeakPolarHBondContact O-CG2 3.46Å; L276-V309 PolarHBondContact O-N 3.1Å; R278-V309 HydrophobicContact CB-CG1 3.62Å; L289-V309 HydrophobicContact CD2-CG2 4.21Å; V309-Q375 WeakPolarHBondContact O-CG 3.46Å; V309-I377 HydrophobicContact CB-CD1 4.39Å; V309-I377 HydrophobicContact CG2-CD1 4.02Å; V309-P391 HydrophobicContact CB-CB 4.25Å; V309-P391 HydrophobicContact CB-CG 4.32Å; V309-P391 HydrophobicContact CG1-CB 4.23Å; V309-P391 HydrophobicContact CG1-CG 3.76Å; V309-I412 HydrophobicContact CG2-CD1 4.4Å
310G96.1Very high93.3Very high1 Ų154.9 Ų54.91%0.0131%0.306CS..EExtended strand (participates in β ladder)trans151.7-164.6179.700000112.3L276 W413L276-G310 PolarHBondContact N-O 3.05Å; G310-W413 CarbonylContact C-O 3.48Å; G310-W413 VanDerWaalsContact CA-O 3.27Å; G310-W413 WeakPolarHBondContact CA-O 3.34Å
311K96.5Very high92.6Very high47 Ų4745.2 Ų45.220%0.20427%0.27CS..EExtended strand (participates in β ladder)trans-124.2139.4172.3-66.1177.1-50.7-145.50110.1F273 T274 I412 W413 P414 V415F273-K311 HydrophobicContact CB-CB 4.14Å; F273-K311 HydrophobicContact CB-CD 4.14Å; F273-K311 HydrophobicContact CD1-CB 4.12Å; F273-K311 HydrophobicContact CG-CB 4.25Å; F273-K311 HydrophobicContact CG-CD 4.43Å; T274-K311 VanDerWaalsContact O-CA 3.32Å; T274-K311 WeakPolarHBondContact O-CA 3.47Å; K311-I412 WeakPolarHBondContact O-CB 3.44Å; K311-W413 HydrophobicContact CB-CB 4.41Å; K311-W413 PolarHBondContact N-O 2.75Å; K311-W413 PolarHBondContact O-N 3.23Å; K311-P414 WeakPolarHBondContact CE-O 3.49Å; K311-P414 PolarHBondContact NZ-O 2.65Å; K311-V415 WeakPolarHBondContact CE-O 3.4Å; K311-V415 PolarHBondContact NZ-O 3.08Å
312I96.2Very high92Very high3 Ų344 Ų442%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-118.1151.6175.1-165.6170.9000109.4F273 T274 L276 V327 L361 W363 A364F273-I312 CarbonylContact C-O 3.21Å; F273-I312 WeakPolarHBondContact CA-O 3.45Å; T274-I312 PolarHBondContact N-O 3.06Å; T274-I312 PolarHBondContact O-N 3.09Å; L276-I312 HydrophobicContact CB-CG2 4.44Å; L276-I312 HydrophobicContact CD1-CG2 4.33Å; I312-V327 HydrophobicContact CD1-CB 4.25Å; I312-V327 HydrophobicContact CD1-CG2 3.85Å; I312-L361 HydrophobicContact CD1-CD2 4.17Å; I312-L361 HydrophobicContact CD1-CG 4.12Å; I312-W363 WeakPolarHBondContact CG1-O 3.29Å; I312-A364 HydrophobicContact CD1-CB 4.4Å; I312-A364 HydrophobicContact CG1-CB 4.4Å
313L95.6Very high91.5Very high0 Ų044.5 Ų44.50%025%0.252CS..EExtended strand (participates in β ladder)trans-74.8137.3173.9-84.2178.1000111.1P269 Q271 F273 E317 L324 G362 W363 W413P269-L313 HydrophobicContact CB-CD1 3.95Å; P269-L313 HydrophobicContact CB-CD2 4.09Å; P269-L313 HydrophobicContact CB-CG 4.33Å; P269-L313 HydrophobicContact CG-CD1 3.8Å; Q271-L313 VanDerWaalsContact O-CD2 3.24Å; Q271-L313 WeakPolarHBondContact O-CD2 3.27Å; F273-L313 HydrophobicContact CD1-CD2 3.89Å; F273-L313 HydrophobicContact CD1-CG 4.14Å; F273-L313 HydrophobicContact CE1-CD2 3.99Å; F273-L313 HydrophobicContact CE1-CG 4.01Å; F273-L313 HydrophobicContact CG-CD2 4.45Å; L313-E317 HydrophobicContact CD1-CB 4.24Å; L313-E317 HydrophobicContact CD1-CG 4.45Å; L313-L324 HydrophobicContact CD1-CD1 3.59Å; L313-L324 HydrophobicContact CD1-CD2 3.87Å; L313-L324 HydrophobicContact CD1-CG 4.4Å; L313-G362 CarbonylContact O-C 3.59Å; L313-G362 WeakPolarHBondContact O-CA 3.25Å; L313-W363 HydrophobicContact CB-CB 4Å; L313-W363 PolarHBondContact N-O 2.86Å; L313-W363 VanDerWaalsContact N-O 3.11Å; L313-W363 PolarHBondContact O-N 2.87Å; L313-W413 HydrophobicContact CD1-CH2 4.49Å; L313-W413 HydrophobicContact CG-CZ3 4.5Å
314S94.2Very high91.1Very high67 Ų6744.1 Ų44.147%0.46925%0.251SS..SBendtrans-74.5-24.3176.453.70000113.8G272G272-S314 WeakPolarHBondContact O-CB 3.43Å; G272-S314 PolarHBondContact O-N 3.38Å; G272-S314 PolarHBondContact O-OG 3.34Å
315H92.5Very high90.9Very high85 Ų8544.6 Ų44.639%0.39425%0.249SC..SBendtrans-146.4174.4-173.162.2-85.6000111.1E317H315-E317 IonicContact NE2-OE1 3.78Å; H315-E317 PolarHBondContact O-N 2.8Å
316N90.7Very high90.8Very high75 Ų7543.5 Ų43.540%0.40124%0.244SC..  trans-84.7114.7-177-170.411000112.1S318 W363N316-S318 VanDerWaalsContact CG-OG 3.25Å; N316-S318 PolarHBondContact ND2-OG 3.04Å; N316-S318 WeakPolarHBondContact OD1-CB 3.23Å; N316-S318 PolarHBondContact OD1-N 2.85Å; N316-S318 PolarHBondContact OD1-OG 3.11Å; N316-W363 HydrophobicContact CB-CD2 3.92Å; N316-W363 HydrophobicContact CB-CE3 4.11Å; N316-W363 HydrophobicContact CB-CH2 3.89Å; N316-W363 HydrophobicContact CB-CZ2 3.69Å; N316-W363 HydrophobicContact CB-CZ3 4.08Å
317E85.6Confident90.9Very high26 Ų2638.8 Ų38.812%0.12122%0.224CC..  trans-109.544.3168.8-63.8-167.2151.900111.6P269 L313 H315 S319 I320 C321 L324P269-E317 WeakPolarHBondContact CB-OE2 3.47Å; L313-E317 HydrophobicContact CD1-CB 4.24Å; L313-E317 HydrophobicContact CD1-CG 4.45Å; H315-E317 IonicContact NE2-OE1 3.78Å; H315-E317 PolarHBondContact O-N 2.8Å; E317-S319 PolarHBondContact O-N 3.11Å; E317-I320 HydrophobicContact CB-CB 4.46Å; E317-I320 HydrophobicContact CB-CD1 4.42Å; E317-I320 PolarHBondContact O-N 2.7Å; E317-C321 PolarHBondContact O-N 3.15Å; E317-L324 HydrophobicContact CB-CD1 4.13Å
318S84.4Confident91Very high32 Ų3239.3 Ų39.322%0.22422%0.218CC..THydrogen-bonded Turntrans-51.7-30.8179.7-68.60000113Q263 N316 I320 C321 G322Q263-S318 VanDerWaalsContact OE1-C 3.27Å; Q263-S318 PolarHBondContact OE1-O 3.01Å; N316-S318 VanDerWaalsContact CG-OG 3.25Å; N316-S318 PolarHBondContact ND2-OG 3.04Å; N316-S318 WeakPolarHBondContact OD1-CB 3.23Å; N316-S318 PolarHBondContact OD1-N 2.85Å; N316-S318 PolarHBondContact OD1-OG 3.11Å; S318-I320 VanDerWaalsContact C-N 3.26Å; S318-I320 PolarHBondContact O-N 2.82Å; S318-C321 WeakPolarHBondContact CA-O 3.3Å; S318-C321 CarbonylContact O-C 3.52Å; S318-C321 PolarHBondContact O-N 3.03Å; S318-G322 WeakPolarHBondContact O-CA 3.49Å; S318-G322 PolarHBondContact O-N 3.02Å
319S83.2Confident91.1Very high67 Ų6734.8 Ų34.847%0.46920%0.197SC..THydrogen-bonded Turntrans-58.8-32.9175.549.40000114.5T264 E317T264-S319 PolarHBondContact OG1-O 2.77Å; E317-S319 PolarHBondContact O-N 3.11Å
320I84.7Confident91.1Very high55 Ų5534.1 Ų34.128%0.28219%0.193SC..THydrogen-bonded Turntrans-91.7-41.6174.6-62.3170.1000109.7G267 E317 S318G267-I320 VanDerWaalsContact CA-O 3.24Å; G267-I320 WeakPolarHBondContact CA-O 3.12Å; G267-I320 PolarHBondContact N-O 3Å; E317-I320 HydrophobicContact CB-CB 4.46Å; E317-I320 HydrophobicContact CB-CD1 4.42Å; E317-I320 PolarHBondContact O-N 2.7Å; S318-I320 VanDerWaalsContact C-N 3.26Å; S318-I320 PolarHBondContact O-N 2.82Å
321C83Confident91Very high0 Ų034.9 Ų34.90%020%0.196CC..  trans-130.288.4-176.6178.70000112P269 E317 S318 F323 L324 C371P269-C321 HydrophobicContact CG-CB 4.14Å; E317-C321 PolarHBondContact O-N 3.15Å; S318-C321 WeakPolarHBondContact CA-O 3.3Å; S318-C321 CarbonylContact O-C 3.52Å; S318-C321 PolarHBondContact O-N 3.03Å; C321-F323 PolarHBondContact O-N 3.27Å; C321-L324 HydrophobicContact CB-CD1 4.11Å; C321-L324 HydrophobicContact CB-CD2 4.39Å; C321-L324 HydrophobicContact CB-CG 3.82Å; C321-L324 VanDerWaalsContact O-CG 3.31Å; C321-L324 WeakPolarHBondContact O-CG 3.2Å; C321-L324 PolarHBondContact O-N 2.78Å; C321-C371 VanDerWaalsContact CA-SG 3.58Å; C321-C371 HydrophobicContact CB-CB 3.77Å; C321-C371 WeakPolarHBondContact CB-SG 3.33Å; C321-C371 WeakPolarHBondContact SG-CB 3.11Å; C321-C371 CovalentContact SG-SG 2.02Å; C321-C371 PolarHBondContact SG-SG 3.19Å
322G82.3Confident90.8Very high39 Ų3932.8 Ų32.840%0.40219%0.188SC..THydrogen-bonded Turntrans-65.28176.800000115.9S318S318-G322 WeakPolarHBondContact O-CA 3.49Å; S318-G322 PolarHBondContact O-N 3.02Å
323F84.5Confident90.5Very high60 Ų6036.4 Ų36.426%0.26321%0.207SC..THydrogen-bonded Turntrans-103.70.1172.8-57.4-71000113C265 C321 V365 P366 M370C265-F323 WeakPolarHBondContact O-CE2 3.34Å; C321-F323 PolarHBondContact O-N 3.27Å; F323-V365 HydrophobicContact CB-CG1 4.08Å; F323-P366 VanDerWaalsContact O-CD 3.3Å; F323-P366 WeakPolarHBondContact O-CD 3.22Å; F323-M370 HydrophobicContact CB-CB 4.36Å; F323-M370 HydrophobicContact CB-SD 4.11Å; F323-M370 HydrophobicContact CD1-SD 4.3Å; F323-M370 HydrophobicContact CD2-CB 4.4Å; F323-M370 HydrophobicContact CG-CB 4.47Å; F323-M370 HydrophobicContact CG-CG 4.48Å; F323-M370 HydrophobicContact CG-SD 4.21Å
324L89.8Confident90.2Very high13 Ų1342.5 Ų42.57%0.06824%0.244CC..  trans-66135178.8-70.2176.6000111.9L313 E317 C321 W363 A364 V365 W413L313-L324 HydrophobicContact CD1-CD1 3.59Å; L313-L324 HydrophobicContact CD1-CD2 3.87Å; L313-L324 HydrophobicContact CD1-CG 4.4Å; E317-L324 HydrophobicContact CB-CD1 4.13Å; C321-L324 HydrophobicContact CB-CD1 4.11Å; C321-L324 HydrophobicContact CB-CD2 4.39Å; C321-L324 HydrophobicContact CB-CG 3.82Å; C321-L324 VanDerWaalsContact O-CG 3.31Å; C321-L324 WeakPolarHBondContact O-CG 3.2Å; C321-L324 PolarHBondContact O-N 2.78Å; L324-W363 HydrophobicContact CB-CE3 4.11Å; L324-W363 HydrophobicContact CD2-CB 4.35Å; L324-A364 WeakPolarHBondContact CA-O 3.34Å; L324-V365 HydrophobicContact CD2-CG1 4.01Å; L324-W413 HydrophobicContact CD2-CH2 3.66Å; L324-W413 HydrophobicContact CD2-CZ2 4.42Å
325Q92.8Very high89.9Confident73 Ų7341.8 Ų41.834%0.34124%0.235SC..EExtended strand (participates in β ladder)trans-133.9152.5169.7-47176.3-32.500109.6V327 M342 A364Q325-V327 PolarHBondContact O-N 2.86Å; Q325-M342 HydrophobicContact CB-CB 4.3Å; Q325-M342 HydrophobicContact CB-CE 3.61Å; Q325-M342 HydrophobicContact CB-CG 4.48Å; Q325-M342 HydrophobicContact CG-CE 4.17Å; Q325-A364 PolarHBondContact N-O 2.8Å; Q325-A364 PolarHBondContact O-N 3.41Å
326P95.5Very high89.7Confident27 Ų2742.5 Ų42.518%0.17524%0.239CC..EExtended strand (participates in β ladder)trans-72.6126.5-179.929.3-34.2000110.9K328 Q360 W363P326-K328 PolarHBondContact O-N 3.46Å; P326-K328 VanDerWaalsContact O-N 3.15Å; P326-Q360 VanDerWaalsContact CB-CD 3.41Å; P326-Q360 HydrophobicContact CB-CG 4.15Å; P326-W363 HydrophobicContact CB-CD2 4.45Å; P326-W363 HydrophobicContact CB-CE3 4.41Å; P326-W363 HydrophobicContact CB-CH2 4.19Å; P326-W363 HydrophobicContact CB-CZ2 4.21Å; P326-W363 HydrophobicContact CB-CZ3 4.31Å; P326-W363 HydrophobicContact CG-CH2 4.34Å; P326-W363 HydrophobicContact CG-CZ3 4.37Å
327V96.8Very high89.7Confident0 Ų039.1 Ų39.10%022%0.222CC..EExtended strand (participates in β ladder)trans-79.795.1170.8-175.80000108.4I312 Q325 Y340 M342 Q360 L361 G362 A364 F410I312-V327 HydrophobicContact CD1-CB 4.25Å; I312-V327 HydrophobicContact CD1-CG2 3.85Å; Q325-V327 PolarHBondContact O-N 2.86Å; V327-Y340 HydrophobicContact CG1-CD1 4.37Å; V327-M342 HydrophobicContact CB-CG 4.34Å; V327-M342 HydrophobicContact CG2-CG 3.79Å; V327-M342 HydrophobicContact CG2-SD 3.67Å; V327-Q360 VanDerWaalsContact O-CG 3.25Å; V327-Q360 WeakPolarHBondContact O-CG 3.43Å; V327-L361 HydrophobicContact CB-CB 4.15Å; V327-L361 HydrophobicContact CG1-CB 3.98Å; V327-L361 HydrophobicContact CG1-CD2 4.06Å; V327-L361 PolarHBondContact O-N 3.17Å; V327-G362 PolarHBondContact N-O 2.94Å; V327-A364 HydrophobicContact CG2-CB 3.51Å; V327-F410 HydrophobicContact CG1-CE1 3.98Å; V327-F410 HydrophobicContact CG1-CZ 3.98Å; V327-F410 HydrophobicContact CG2-CD2 4.47Å; V327-F410 HydrophobicContact CG2-CE2 4.45Å
328K96Very high90.2Very high40 Ų4037.9 Ų37.917%0.17422%0.216CC..EExtended strand (participates in β ladder)trans-75.7134.5177.4-56.6-179.8-172.1-179.50109.3P326 Y340 I341 E344 Y347P326-K328 PolarHBondContact O-N 3.46Å; P326-K328 VanDerWaalsContact O-N 3.15Å; K328-Y340 WeakPolarHBondContact O-CA 3.24Å; K328-I341 HydrophobicContact CB-CG2 4.17Å; K328-I341 PolarHBondContact N-O 2.77Å; K328-I341 PolarHBondContact O-N 2.74Å; K328-E344 WeakPolarHBondContact CE-OE1 3.12Å; K328-E344 IonicContact NZ-OE1 3.25Å; K328-E344 PolarHBondContact NZ-OE1 2.85Å; K328-E344 IonicContact NZ-OE2 3.73Å; K328-E344 PolarHBondContact NZ-OE2 3.46Å; K328-Y347 HydrophobicContact CB-CD2 4.35Å; K328-Y347 HydrophobicContact CB-CE2 4.31Å; K328-Y347 HydrophobicContact CD-CD2 3.59Å; K328-Y347 HydrophobicContact CD-CE2 3.52Å; K328-Y347 HydrophobicContact CD-CG 4.19Å
329T96.5Very high90.6Very high7 Ų736.5 Ų36.54%0.04321%0.206CC..EExtended strand (participates in β ladder)trans-90.4133.3169.6-46.80000109.3T338 Y339 Y340 R358 T359T329-T338 HydrophobicContact CG2-CG2 3.41Å; T329-T338 VanDerWaalsContact CG2-CG2 3.41Å; T329-Y339 CarbonylContact C-O 3.59Å; T329-Y340 HydrophobicContact CG2-CD1 3.95Å; T329-Y340 HydrophobicContact CG2-CE1 3.57Å; T329-Y340 WeakPolarHBondContact OG1-CE1 3.34Å; T329-R358 HydrophobicContact CG2-CB 4.26Å; T329-R358 PolarHBondContact O-N 3.47Å; T329-T359 WeakPolarHBondContact CB-O 3.29Å; T329-T359 PolarHBondContact N-O 2.98Å; T329-T359 PolarHBondContact OG1-O 3.11Å
330L95.7Very high91.3Very high0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-116.4154.8169.9-63.6-175.1000109.7Y339 I341 Y347 R350 I351 Y355 E356 T357L330-Y339 HydrophobicContact CD1-CD1 4.28Å; L330-Y339 PolarHBondContact N-O 2.86Å; L330-Y339 PolarHBondContact O-N 2.96Å; L330-I341 HydrophobicContact CD1-CG2 3.82Å; L330-I341 HydrophobicContact CG-CG2 3.92Å; L330-Y347 HydrophobicContact CD1-CD2 4.23Å; L330-Y347 HydrophobicContact CD2-CD2 3.98Å; L330-Y347 HydrophobicContact CD2-CE2 3.65Å; L330-Y347 HydrophobicContact CG-CD2 4.39Å; L330-R350 HydrophobicContact CD1-CB 3.51Å; L330-R350 HydrophobicContact CD1-CG 4.14Å; L330-I351 HydrophobicContact CD2-CD1 3.77Å; L330-Y355 HydrophobicContact CB-CD1 3.89Å; L330-Y355 HydrophobicContact CB-CG 4.49Å; L330-Y355 HydrophobicContact CD1-CD1 4.45Å; L330-E356 CarbonylContact C-O 3.59Å; L330-E356 VanDerWaalsContact CA-O 3.27Å; L330-E356 WeakPolarHBondContact CA-O 3.41Å; L330-T357 HydrophobicContact CD2-CG2 4.44Å
331F94.7Very high91.7Very high16 Ų1631.1 Ų31.17%0.0717%0.172CC..EExtended strand (participates in β ladder)trans-131.2135.4172.2-174-104.2000110.7N333 M336 T337 Y355 E356 R358F331-N333 WeakPolarHBondContact CD1-OD1 3.19Å; F331-N333 WeakPolarHBondContact CE1-OD1 3.38Å; F331-M336 HydrophobicContact CE1-SD 4.39Å; F331-M336 HydrophobicContact CZ-CE 4.37Å; F331-M336 HydrophobicContact CZ-SD 4.11Å; F331-T337 VanDerWaalsContact CD2-O 3.28Å; F331-T337 WeakPolarHBondContact CD2-O 3.14Å; F331-Y355 WeakPolarHBondContact O-CA 3.45Å; F331-E356 PolarHBondContact N-O 2.83Å; F331-E356 PolarHBondContact O-N 2.83Å; F331-R358 HydrophobicContact CB-CG 3.92Å
332S92.3Very high92Very high4 Ų431.6 Ų31.63%0.02817%0.174CC..EExtended strand (participates in β ladder)trans-100.1111.4173.3-178.90000109.8T334 L335 M336 T337S332-T334 PolarHBondContact O-N 2.83Å; S332-L335 PolarHBondContact O-N 2.67Å; S332-L335 PolarHBondContact OG-N 2.96Å; S332-M336 VanDerWaalsContact O-CA 3.3Å; S332-M336 WeakPolarHBondContact O-CA 3.32Å; S332-M336 PolarHBondContact O-N 3.5Å; S332-T337 PolarHBondContact N-O 3.02Å
333N90.1Very high92.2Very high79 Ų7934 Ų3442%0.42218%0.178SC..THydrogen-bonded Turntrans-61.8-31.5173.2-67.6-33.6000112F331 E356F331-N333 WeakPolarHBondContact CD1-OD1 3.19Å; F331-N333 WeakPolarHBondContact CE1-OD1 3.38Å; N333-E356 VanDerWaalsContact ND2-CD 3.35Å; N333-E356 PolarHBondContact ND2-OE1 3.46Å
334T88.3Confident92.2Very high128 Ų12835.9 Ų35.979%0.78519%0.188SC*.THydrogen-bonded Turntrans-72.9-34.6-179.2-46.60000113S332S332-T334 PolarHBondContact O-N 2.83Å
335L88.1Confident91.7Very high51 Ų5142.3 Ų42.327%0.26722%0.221SC..THydrogen-bonded Turntrans-106.2-5.1-177.6-62.5172.1000113.3S332 T337S332-L335 PolarHBondContact O-N 2.67Å; S332-L335 PolarHBondContact OG-N 2.96Å; L335-T337 HydrophobicContact CB-CG2 3.95Å; L335-T337 PolarHBondContact O-N 2.66Å
336M89.5Confident91.2Very high100 Ų10041.6 Ų41.649%0.49322%0.219SC..THydrogen-bonded Turntrans52.623.3-175.3-64.4-65.9-7000114.9F331 S332F331-M336 HydrophobicContact CE1-SD 4.39Å; F331-M336 HydrophobicContact CZ-CE 4.37Å; F331-M336 HydrophobicContact CZ-SD 4.11Å; S332-M336 VanDerWaalsContact O-CA 3.3Å; S332-M336 WeakPolarHBondContact O-CA 3.32Å; S332-M336 PolarHBondContact O-N 3.5Å
337T90.6Very high90.9Very high4 Ų442.7 Ų42.73%0.02522%0.22CC..EExtended strand (participates in β ladder)trans-113.8155.7-177.1-165.90000112.8F331 S332 L335 I387F331-T337 VanDerWaalsContact CD2-O 3.28Å; F331-T337 WeakPolarHBondContact CD2-O 3.14Å; S332-T337 PolarHBondContact N-O 3.02Å; L335-T337 HydrophobicContact CB-CG2 3.95Å; L335-T337 PolarHBondContact O-N 2.66Å; T337-I387 PolarHBondContact OG1-O 3.29Å
338T94.6Very high90.4Very high0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-103.2135.8-179.6-54.30000110.2D286 R288 T329 Y340D286-T338 PolarHBondContact OD1-OG1 2.89Å; R288-T338 PolarHBondContact NE-OG1 2.96Å; R288-T338 VanDerWaalsContact NE-OG1 3.08Å; R288-T338 PolarHBondContact NH1-OG1 2.98Å; R288-T338 PolarHBondContact NH2-OG1 3.01Å; T329-T338 HydrophobicContact CG2-CG2 3.41Å; T329-T338 VanDerWaalsContact CG2-CG2 3.41Å; T338-Y340 HydrophobicContact CG2-CE1 4.23Å; T338-Y340 HydrophobicContact CG2-CE2 3.84Å
339Y94.7Very high89.8Confident3 Ų348.5 Ų48.51%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-129.4135.1-178.2-178.8-135.8000111.2T329 L330 I341 L346 R350 Y355 E379 I387 Q389T329-Y339 CarbonylContact C-O 3.59Å; L330-Y339 HydrophobicContact CD1-CD1 4.28Å; L330-Y339 PolarHBondContact N-O 2.86Å; L330-Y339 PolarHBondContact O-N 2.96Å; Y339-I341 HydrophobicContact CD1-CB 4.48Å; Y339-I341 HydrophobicContact CE1-CB 4.07Å; Y339-I341 HydrophobicContact CE1-CD1 3.77Å; Y339-I341 HydrophobicContact CE1-CG1 4.4Å; Y339-L346 WeakPolarHBondContact OH-CD2 3.43Å; Y339-R350 HydrophobicContact CD1-CG 4.19Å; Y339-R350 HydrophobicContact CE1-CG 3.95Å; Y339-Y355 HydrophobicContact CD1-CE1 4.39Å; Y339-E379 VanDerWaalsContact CE2-CD 3.48Å; Y339-E379 HydrophobicContact CE2-CG 4.28Å; Y339-E379 VanDerWaalsContact CE2-OE2 3.3Å; Y339-E379 WeakPolarHBondContact CE2-OE2 3.45Å; Y339-E379 PolarHBondContact OH-OE1 2.89Å; Y339-E379 VanDerWaalsContact OH-OE1 3.04Å; Y339-E379 PolarHBondContact OH-OE2 3.14Å; Y339-I387 HydrophobicContact CD1-CD1 4.1Å; Y339-I387 HydrophobicContact CD2-CB 4.19Å; Y339-I387 HydrophobicContact CD2-CD1 3.92Å; Y339-I387 HydrophobicContact CD2-CG2 3.6Å; Y339-I387 HydrophobicContact CE1-CD1 4.07Å; Y339-I387 HydrophobicContact CE2-CD1 3.93Å; Y339-I387 HydrophobicContact CE2-CG2 3.8Å; Y339-I387 HydrophobicContact CG-CD1 4.03Å; Y339-Q389 VanDerWaalsContact CD2-OE1 3.3Å
340Y97Very high89.5Confident5 Ų551 Ų512%0.0227%0.267CS..EExtended strand (participates in β ladder)trans-113.7121.1-175.8-61-80.3000109.9L289 V327 K328 T329 T338 L361 Q389L289-Y340 HydrophobicContact CB-CD2 4.42Å; L289-Y340 HydrophobicContact CB-CE2 3.91Å; L289-Y340 HydrophobicContact CD1-CD2 4.1Å; L289-Y340 HydrophobicContact CD1-CE2 4.35Å; L289-Y340 HydrophobicContact CG-CD2 4.19Å; L289-Y340 HydrophobicContact CG-CE2 3.92Å; L289-Y340 PolarHBondContact N-OH 2.92Å; L289-Y340 PolarHBondContact O-OH 2.99Å; V327-Y340 HydrophobicContact CG1-CD1 4.37Å; K328-Y340 WeakPolarHBondContact O-CA 3.24Å; T329-Y340 HydrophobicContact CG2-CD1 3.95Å; T329-Y340 HydrophobicContact CG2-CE1 3.57Å; T329-Y340 WeakPolarHBondContact OG1-CE1 3.34Å; T338-Y340 HydrophobicContact CG2-CE1 4.23Å; T338-Y340 HydrophobicContact CG2-CE2 3.84Å; Y340-L361 HydrophobicContact CD1-CB 4.07Å; Y340-L361 HydrophobicContact CD1-CD2 3.69Å; Y340-L361 HydrophobicContact CD1-CG 4.33Å; Y340-L361 HydrophobicContact CE1-CB 4.22Å; Y340-L361 HydrophobicContact CE1-CD1 4.04Å; Y340-L361 HydrophobicContact CE1-CD2 3.85Å; Y340-L361 HydrophobicContact CE1-CG 4.25Å; Y340-L361 HydrophobicContact CG-CD2 4.28Å; Y340-Q389 PolarHBondContact O-NE2 3.23Å
341I93.9Very high89.3Confident5 Ų554.2 Ų54.23%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-138.2143.2-166.8-174.5160.5000113.2K328 L330 Y339 L346 Y347K328-I341 HydrophobicContact CB-CG2 4.17Å; K328-I341 PolarHBondContact N-O 2.77Å; K328-I341 PolarHBondContact O-N 2.74Å; L330-I341 HydrophobicContact CD1-CG2 3.82Å; L330-I341 HydrophobicContact CG-CG2 3.92Å; Y339-I341 HydrophobicContact CD1-CB 4.48Å; Y339-I341 HydrophobicContact CE1-CB 4.07Å; Y339-I341 HydrophobicContact CE1-CD1 3.77Å; Y339-I341 HydrophobicContact CE1-CG1 4.4Å; I341-L346 HydrophobicContact CD1-CB 3.78Å; I341-L346 HydrophobicContact CD1-CD2 3.86Å; I341-L346 HydrophobicContact CD1-CG 3.58Å; I341-Y347 HydrophobicContact CG2-CD2 4.01Å
342M89.1Confident89Confident10 Ų1057.3 Ų57.35%0.04931%0.312CS..  trans-119.4-26.5174.6-68.3163.264.800113.4Q325 V327 E344 A364 P366 F410Q325-M342 HydrophobicContact CB-CB 4.3Å; Q325-M342 HydrophobicContact CB-CE 3.61Å; Q325-M342 HydrophobicContact CB-CG 4.48Å; Q325-M342 HydrophobicContact CG-CE 4.17Å; V327-M342 HydrophobicContact CB-CG 4.34Å; V327-M342 HydrophobicContact CG2-CG 3.79Å; V327-M342 HydrophobicContact CG2-SD 3.67Å; M342-E344 PolarHBondContact O-N 2.84Å; M342-A364 VanDerWaalsContact CE-C 3.42Å; M342-A364 HydrophobicContact CE-CB 4.17Å; M342-A364 WeakPolarHBondContact CE-O 3.44Å; M342-A364 HydrophobicContact SD-CB 3.9Å; M342-P366 HydrophobicContact CE-CB 4.47Å; M342-F410 HydrophobicContact CE-CB 4.43Å; M342-F410 HydrophobicContact SD-CB 3.29Å; M342-F410 WeakPolarHBondContact SD-CB 3.38Å; M342-F410 HydrophobicContact SD-CD1 4.15Å; M342-F410 HydrophobicContact SD-CG 3.78Å
343N85Confident88.8Confident89 Ų8960.5 Ų60.548%0.47633%0.329SS..  trans-73.7113.3-179.3-177.2-44.8000110.8L345 L346 Y347N343-L345 VanDerWaalsContact C-N 3.35Å; N343-L345 PolarHBondContact O-N 2.88Å; N343-L345 WeakPolarHBondContact OD1-CB 3.5Å; N343-L345 PolarHBondContact OD1-N 3.03Å; N343-L346 HydrophobicContact CB-CB 4.21Å; N343-L346 PolarHBondContact O-N 3.12Å; N343-L346 PolarHBondContact OD1-N 2.79Å; N343-L346 VanDerWaalsContact OD1-N 3.15Å; N343-Y347 WeakPolarHBondContact O-CB 3.43Å; N343-Y347 PolarHBondContact O-N 2.95Å
344E84.4Confident88.9Confident100 Ų10058.9 Ų58.947%0.46733%0.331SS..Hα-helixtrans-64.5-32.2-175.3-67.3-68.5-172.300114.5K328 M342 Y347 A348K328-E344 WeakPolarHBondContact CE-OE1 3.12Å; K328-E344 IonicContact NZ-OE1 3.25Å; K328-E344 PolarHBondContact NZ-OE1 2.85Å; K328-E344 IonicContact NZ-OE2 3.73Å; K328-E344 PolarHBondContact NZ-OE2 3.46Å; M342-E344 PolarHBondContact O-N 2.84Å; E344-Y347 PolarHBondContact O-N 2.83Å; E344-A348 PolarHBondContact O-N 2.84Å
345L81.2Confident89.2Confident148 Ų14853.9 Ų53.978%0.77530%0.298SS*.Hα-helixtrans-69.9-43.2177.5-62.1176.3000110.8N343 A348 Q349N343-L345 VanDerWaalsContact C-N 3.35Å; N343-L345 PolarHBondContact O-N 2.88Å; N343-L345 WeakPolarHBondContact OD1-CB 3.5Å; N343-L345 PolarHBondContact OD1-N 3.03Å; L345-A348 PolarHBondContact O-N 3.33Å; L345-Q349 PolarHBondContact O-N 3.31Å; L345-Q349 VanDerWaalsContact O-N 3.12Å
346L82.1Confident89.6Confident57 Ų5755.1 Ų55.130%0.29830%0.303SS..Hα-helixtrans-71.7-31.8175.7-177.464.3000111.5Y339 I341 N343 Q349 R350Y339-L346 WeakPolarHBondContact OH-CD2 3.43Å; I341-L346 HydrophobicContact CD1-CB 3.78Å; I341-L346 HydrophobicContact CD1-CD2 3.86Å; I341-L346 HydrophobicContact CD1-CG 3.58Å; N343-L346 HydrophobicContact CB-CB 4.21Å; N343-L346 PolarHBondContact O-N 3.12Å; N343-L346 PolarHBondContact OD1-N 2.79Å; N343-L346 VanDerWaalsContact OD1-N 3.15Å; L346-Q349 PolarHBondContact O-N 3.46Å; L346-R350 WeakPolarHBondContact O-CG 3.23Å; L346-R350 PolarHBondContact O-N 3.38Å
347Y87.7Confident89.8Confident50 Ų5053.7 Ų53.720%0.19630%0.3CS..Hα-helixtrans-60.1-50.1171.1170.2-91000110.6K328 L330 I341 N343 E344 Q349 R350 I351 T357K328-Y347 HydrophobicContact CB-CD2 4.35Å; K328-Y347 HydrophobicContact CB-CE2 4.31Å; K328-Y347 HydrophobicContact CD-CD2 3.59Å; K328-Y347 HydrophobicContact CD-CE2 3.52Å; K328-Y347 HydrophobicContact CD-CG 4.19Å; L330-Y347 HydrophobicContact CD1-CD2 4.23Å; L330-Y347 HydrophobicContact CD2-CD2 3.98Å; L330-Y347 HydrophobicContact CD2-CE2 3.65Å; L330-Y347 HydrophobicContact CG-CD2 4.39Å; I341-Y347 HydrophobicContact CG2-CD2 4.01Å; N343-Y347 WeakPolarHBondContact O-CB 3.43Å; N343-Y347 PolarHBondContact O-N 2.95Å; E344-Y347 PolarHBondContact O-N 2.83Å; Y347-Q349 VanDerWaalsContact C-N 3.29Å; Y347-Q349 PolarHBondContact O-N 2.83Å; Y347-R350 PolarHBondContact O-N 2.83Å; Y347-R350 VanDerWaalsContact O-N 3.08Å; Y347-I351 HydrophobicContact CD1-CG1 4.43Å; Y347-I351 HydrophobicContact CE1-CG1 4.02Å; Y347-I351 HydrophobicContact CE2-CD1 4.22Å; Y347-I351 HydrophobicContact CE2-CG1 4.35Å; Y347-I351 WeakPolarHBondContact O-CG1 3.34Å; Y347-I351 PolarHBondContact O-N 2.84Å; Y347-T357 HydrophobicContact CE2-CG2 4.26Å; Y347-T357 PolarHBondContact OH-OG1 2.92Å
348A86.5Confident90Very high60 Ų6058.9 Ų58.950%0.49632%0.318SS..Hα-helixtrans-57.4-41.7176.300000112E344 L345 I351 A352E344-A348 PolarHBondContact O-N 2.84Å; L345-A348 PolarHBondContact O-N 3.33Å; A348-I351 PolarHBondContact O-N 2.89Å; A348-A352 PolarHBondContact O-N 2.89Å; A348-A352 VanDerWaalsContact O-N 3.16Å
349Q85.1Confident89.8Confident102 Ų10264.5 Ų64.548%0.47735%0.353SS..Hα-helixtrans-62.8-44173.6-175.160.552.300112.3L345 L346 Y347 I351 A352 D353L345-Q349 PolarHBondContact O-N 3.31Å; L345-Q349 VanDerWaalsContact O-N 3.12Å; L346-Q349 PolarHBondContact O-N 3.46Å; Y347-Q349 VanDerWaalsContact C-N 3.29Å; Y347-Q349 PolarHBondContact O-N 2.83Å; Q349-I351 VanDerWaalsContact C-N 3.34Å; Q349-I351 PolarHBondContact O-N 2.64Å; Q349-A352 CarbonylContact O-C 3.37Å; Q349-A352 WeakPolarHBondContact O-CA 3.42Å; Q349-A352 WeakPolarHBondContact O-CB 3.47Å; Q349-A352 PolarHBondContact O-N 2.75Å; Q349-A352 VanDerWaalsContact O-N 3.09Å; Q349-D353 PolarHBondContact NE2-OD1 2.84Å; Q349-D353 PolarHBondContact O-N 2.95Å
350R89Confident89.7Confident59 Ų5968.6 Ų68.622%0.22337%0.372CS..Hα-helixtrans-66.3-32.8179.6-66.6-39.5-175.4-159.6-2113.4L330 Y339 L346 Y347 A352 D353 G354 Y355L330-R350 HydrophobicContact CD1-CB 3.51Å; L330-R350 HydrophobicContact CD1-CG 4.14Å; Y339-R350 HydrophobicContact CD1-CG 4.19Å; Y339-R350 HydrophobicContact CE1-CG 3.95Å; L346-R350 WeakPolarHBondContact O-CG 3.23Å; L346-R350 PolarHBondContact O-N 3.38Å; Y347-R350 PolarHBondContact O-N 2.83Å; Y347-R350 VanDerWaalsContact O-N 3.08Å; R350-A352 VanDerWaalsContact C-N 3.34Å; R350-D353 WeakPolarHBondContact CD-OD2 3.04Å; R350-D353 IonicContact CZ-OD2 3.88Å; R350-D353 IonicContact NE-OD2 2.82Å; R350-D353 IonicContact NH1-OD2 3.83Å; R350-D353 PolarHBondContact NH1-OD2 3.15Å; R350-D353 CarbonylContact O-C 3.6Å; R350-D353 PolarHBondContact O-N 2.66Å; R350-G354 PolarHBondContact O-N 3.43Å; R350-Y355 HydrophobicContact CB-CD2 4.02Å; R350-Y355 HydrophobicContact CB-CG 4.12Å; R350-Y355 VanDerWaalsContact O-CB 3.31Å; R350-Y355 WeakPolarHBondContact O-CB 3.4Å; R350-Y355 WeakPolarHBondContact O-CD2 3.43Å; R350-Y355 PolarHBondContact O-N 3.36Å
351I92.7Very high89.6Confident68 Ų6869.7 Ų69.735%0.34938%0.378SS..Hα-helixtrans-64.9-40.3170.8-58.6-53000110.6L330 Y347 A348 Q349 D353 G354 Y355 T357L330-I351 HydrophobicContact CD2-CD1 3.77Å; Y347-I351 HydrophobicContact CD1-CG1 4.43Å; Y347-I351 HydrophobicContact CE1-CG1 4.02Å; Y347-I351 HydrophobicContact CE2-CD1 4.22Å; Y347-I351 HydrophobicContact CE2-CG1 4.35Å; Y347-I351 WeakPolarHBondContact O-CG1 3.34Å; Y347-I351 PolarHBondContact O-N 2.84Å; A348-I351 PolarHBondContact O-N 2.89Å; Q349-I351 VanDerWaalsContact C-N 3.34Å; Q349-I351 PolarHBondContact O-N 2.64Å; I351-D353 VanDerWaalsContact C-N 3.33Å; I351-D353 PolarHBondContact O-N 2.82Å; I351-G354 PolarHBondContact O-N 2.86Å; I351-G354 VanDerWaalsContact O-N 3.11Å; I351-Y355 WeakPolarHBondContact CD1-O 3.44Å; I351-T357 WeakPolarHBondContact CD1-OG1 3.39Å
352A88.2Confident89.7Confident81 Ų8169.7 Ų69.767%0.66938%0.38SS*.Hα-helixtrans-66.7-31.6172.900000113.3A348 Q349 R350 G354A348-A352 PolarHBondContact O-N 2.89Å; A348-A352 VanDerWaalsContact O-N 3.16Å; Q349-A352 CarbonylContact O-C 3.37Å; Q349-A352 WeakPolarHBondContact O-CA 3.42Å; Q349-A352 WeakPolarHBondContact O-CB 3.47Å; Q349-A352 PolarHBondContact O-N 2.75Å; Q349-A352 VanDerWaalsContact O-N 3.09Å; R350-A352 VanDerWaalsContact C-N 3.34Å; A352-G354 PolarHBondContact O-N 2.64Å
353D88.3Confident90.1Very high71 Ų7171.5 Ų71.538%0.3839%0.386SS..THydrogen-bonded Turntrans-71.7-2171.8-59.1-20.9000113Q349 R350 I351 Y355Q349-D353 PolarHBondContact NE2-OD1 2.84Å; Q349-D353 PolarHBondContact O-N 2.95Å; R350-D353 WeakPolarHBondContact CD-OD2 3.04Å; R350-D353 IonicContact CZ-OD2 3.88Å; R350-D353 IonicContact NE-OD2 2.82Å; R350-D353 IonicContact NH1-OD2 3.83Å; R350-D353 PolarHBondContact NH1-OD2 3.15Å; R350-D353 CarbonylContact O-C 3.6Å; R350-D353 PolarHBondContact O-N 2.66Å; I351-D353 VanDerWaalsContact C-N 3.33Å; I351-D353 PolarHBondContact O-N 2.82Å; D353-Y355 HydrophobicContact CB-CD2 4.12Å; D353-Y355 HydrophobicContact CB-CE2 4.28Å
354G91.7Very high90.6Very high46 Ų4667.3 Ų67.347%0.47436%0.363SS..THydrogen-bonded Turntrans88.121.8177.400000115.7R350 I351 A352R350-G354 PolarHBondContact O-N 3.43Å; I351-G354 PolarHBondContact O-N 2.86Å; I351-G354 VanDerWaalsContact O-N 3.11Å; A352-G354 PolarHBondContact O-N 2.64Å
355Y94.1Very high90.8Very high23 Ų2362.5 Ų62.59%0.0934%0.341CS..PPolyproline II helixtrans-78.4143.9169.2-73.2-117.4000111.3L330 F331 Y339 R350 I351 D353L330-Y355 HydrophobicContact CB-CD1 3.89Å; L330-Y355 HydrophobicContact CB-CG 4.49Å; L330-Y355 HydrophobicContact CD1-CD1 4.45Å; F331-Y355 WeakPolarHBondContact O-CA 3.45Å; Y339-Y355 HydrophobicContact CD1-CE1 4.39Å; R350-Y355 HydrophobicContact CB-CD2 4.02Å; R350-Y355 HydrophobicContact CB-CG 4.12Å; R350-Y355 VanDerWaalsContact O-CB 3.31Å; R350-Y355 WeakPolarHBondContact O-CB 3.4Å; R350-Y355 WeakPolarHBondContact O-CD2 3.43Å; R350-Y355 PolarHBondContact O-N 3.36Å; I351-Y355 WeakPolarHBondContact CD1-O 3.44Å; D353-Y355 HydrophobicContact CB-CD2 4.12Å; D353-Y355 HydrophobicContact CB-CE2 4.28Å
356E95.6Very high91.1Very high77 Ų7758.2 Ų58.236%0.3632%0.322SS..EExtended strand (participates in β ladder)trans-93.2136.4172.7-67179.3178.100111.8L330 F331 N333 R358L330-E356 CarbonylContact C-O 3.59Å; L330-E356 VanDerWaalsContact CA-O 3.27Å; L330-E356 WeakPolarHBondContact CA-O 3.41Å; F331-E356 PolarHBondContact N-O 2.83Å; F331-E356 PolarHBondContact O-N 2.83Å; N333-E356 VanDerWaalsContact ND2-CD 3.35Å; N333-E356 PolarHBondContact ND2-OE1 3.46Å; E356-R358 IonicContact OE2-CZ 3.43Å; E356-R358 VanDerWaalsContact OE2-CZ 3.25Å; E356-R358 IonicContact OE2-NE 3.05Å; E356-R358 PolarHBondContact OE2-NE 2.78Å; E356-R358 VanDerWaalsContact OE2-NE 3.08Å; E356-R358 IonicContact OE2-NH2 3.26Å; E356-R358 PolarHBondContact OE2-NH2 3.09Å
357T95.4Very high91Very high70 Ų7056.4 Ų56.443%0.42932%0.317SS..EExtended strand (participates in β ladder)trans-71.8129169.8-47.50000111.2L330 Y347 I351L330-T357 HydrophobicContact CD2-CG2 4.44Å; Y347-T357 HydrophobicContact CE2-CG2 4.26Å; Y347-T357 PolarHBondContact OH-OG1 2.92Å; I351-T357 WeakPolarHBondContact CD1-OG1 3.39Å
358R93.4Very high90.6Very high112 Ų11257.2 Ų57.242%0.42333%0.327SS..EExtended strand (participates in β ladder)trans-115.9-171.2173.6-57.2-57.2-174.8105.6-3.5109.3T329 F331 E356T329-R358 HydrophobicContact CG2-CB 4.26Å; T329-R358 PolarHBondContact O-N 3.47Å; F331-R358 HydrophobicContact CB-CG 3.92Å; E356-R358 IonicContact OE2-CZ 3.43Å; E356-R358 VanDerWaalsContact OE2-CZ 3.25Å; E356-R358 IonicContact OE2-NE 3.05Å; E356-R358 PolarHBondContact OE2-NE 2.78Å; E356-R358 VanDerWaalsContact OE2-NE 3.08Å; E356-R358 IonicContact OE2-NH2 3.26Å; E356-R358 PolarHBondContact OE2-NH2 3.09Å
359T91Very high90.3Very high118 Ų11856.5 Ų56.572%0.72433%0.326SS*.EExtended strand (participates in β ladder)trans-60.2147.8-177.343.40000112.8T329T329-T359 WeakPolarHBondContact CB-O 3.29Å; T329-T359 PolarHBondContact N-O 2.98Å; T329-T359 PolarHBondContact OG1-O 3.11Å
360Q93.3Very high90.2Very high90 Ų9054.7 Ų54.742%0.42132%0.318SS..EExtended strand (participates in β ladder)trans-67137.4171.9-169.3-175.5-35.400110.1P326 V327 G362 W363P326-Q360 VanDerWaalsContact CB-CD 3.41Å; P326-Q360 HydrophobicContact CB-CG 4.15Å; V327-Q360 VanDerWaalsContact O-CG 3.25Å; V327-Q360 WeakPolarHBondContact O-CG 3.43Å; Q360-G362 PolarHBondContact NE2-O 2.81Å; Q360-W363 VanDerWaalsContact NE2-CE2 3.34Å
361L95.1Very high90Very high28 Ų2852.1 Ų52.115%0.14731%0.309CS..EExtended strand (participates in β ladder)trans-77.9-34.9179.3-176.166.5000112.5L276 L289 I312 V327 Y340L276-L361 HydrophobicContact CD1-CD1 3.82Å; L276-L361 HydrophobicContact CD1-CD2 3.93Å; L276-L361 HydrophobicContact CD1-CG 4.05Å; L276-L361 HydrophobicContact CD2-CD2 4.24Å; L289-L361 HydrophobicContact CB-CD2 3.99Å; L289-L361 VanDerWaalsContact O-CD1 3.24Å; L289-L361 WeakPolarHBondContact O-CD1 3.24Å; I312-L361 HydrophobicContact CD1-CD2 4.17Å; I312-L361 HydrophobicContact CD1-CG 4.12Å; V327-L361 HydrophobicContact CB-CB 4.15Å; V327-L361 HydrophobicContact CG1-CB 3.98Å; V327-L361 HydrophobicContact CG1-CD2 4.06Å; V327-L361 PolarHBondContact O-N 3.17Å; Y340-L361 HydrophobicContact CD1-CB 4.07Å; Y340-L361 HydrophobicContact CD1-CD2 3.69Å; Y340-L361 HydrophobicContact CD1-CG 4.33Å; Y340-L361 HydrophobicContact CE1-CB 4.22Å; Y340-L361 HydrophobicContact CE1-CD1 4.04Å; Y340-L361 HydrophobicContact CE1-CD2 3.85Å; Y340-L361 HydrophobicContact CE1-CG 4.25Å; Y340-L361 HydrophobicContact CG-CD2 4.28Å
362G95.6Very high89.7Confident5 Ų550 Ų505%0.05230%0.304CS..EExtended strand (participates in β ladder)trans159.1-158.5-176.700000111L313 V327 Q360L313-G362 CarbonylContact O-C 3.59Å; L313-G362 WeakPolarHBondContact O-CA 3.25Å; V327-G362 PolarHBondContact N-O 2.94Å; Q360-G362 PolarHBondContact NE2-O 2.81Å
363W96.1Very high89.8Confident48 Ų4846.1 Ų46.118%0.18227%0.272CS..EExtended strand (participates in β ladder)trans-118.8134175.7-64.577000110.4I312 L313 N316 L324 P326 Q360I312-W363 WeakPolarHBondContact CG1-O 3.29Å; L313-W363 HydrophobicContact CB-CB 4Å; L313-W363 PolarHBondContact N-O 2.86Å; L313-W363 VanDerWaalsContact N-O 3.11Å; L313-W363 PolarHBondContact O-N 2.87Å; N316-W363 HydrophobicContact CB-CD2 3.92Å; N316-W363 HydrophobicContact CB-CE3 4.11Å; N316-W363 HydrophobicContact CB-CH2 3.89Å; N316-W363 HydrophobicContact CB-CZ2 3.69Å; N316-W363 HydrophobicContact CB-CZ3 4.08Å; L324-W363 HydrophobicContact CB-CE3 4.11Å; L324-W363 HydrophobicContact CD2-CB 4.35Å; P326-W363 HydrophobicContact CB-CD2 4.45Å; P326-W363 HydrophobicContact CB-CE3 4.41Å; P326-W363 HydrophobicContact CB-CH2 4.19Å; P326-W363 HydrophobicContact CB-CZ2 4.21Å; P326-W363 HydrophobicContact CB-CZ3 4.31Å; P326-W363 HydrophobicContact CG-CH2 4.34Å; P326-W363 HydrophobicContact CG-CZ3 4.37Å; Q360-W363 VanDerWaalsContact NE2-CE2 3.34Å
364A95.7Very high89.8Confident0 Ų046.7 Ų46.70%028%0.278CS..EExtended strand (participates in β ladder)trans-141.5-177.4-177.300000110.1I312 L324 Q325 V327 M342 F410 I412I312-A364 HydrophobicContact CD1-CB 4.4Å; I312-A364 HydrophobicContact CG1-CB 4.4Å; L324-A364 WeakPolarHBondContact CA-O 3.34Å; Q325-A364 PolarHBondContact N-O 2.8Å; Q325-A364 PolarHBondContact O-N 3.41Å; V327-A364 HydrophobicContact CG2-CB 3.51Å; M342-A364 VanDerWaalsContact CE-C 3.42Å; M342-A364 HydrophobicContact CE-CB 4.17Å; M342-A364 WeakPolarHBondContact CE-O 3.44Å; M342-A364 HydrophobicContact SD-CB 3.9Å; A364-F410 HydrophobicContact CB-CD2 4.03Å; A364-I412 HydrophobicContact CB-CG2 4.08Å
365V90Very high89.8Confident0 Ų047 Ų470%027%0.268CS..BIsolated β-bridgetrans-119.8145.2178.3-62.70000111.5F323 L324 G367 M370 A373 A411 W413F323-V365 HydrophobicContact CB-CG1 4.08Å; L324-V365 HydrophobicContact CD2-CG1 4.01Å; V365-G367 VanDerWaalsContact C-N 3.3Å; V365-G367 PolarHBondContact O-N 3.02Å; V365-M370 HydrophobicContact CB-CB 3.87Å; V365-M370 HydrophobicContact CB-SD 4.36Å; V365-M370 HydrophobicContact CG1-CB 4.23Å; V365-M370 HydrophobicContact CG2-CB 3.8Å; V365-A373 HydrophobicContact CG2-CB 3.33Å; V365-A411 HydrophobicContact CG2-CB 4.17Å; V365-A411 PolarHBondContact N-O 3.31Å; V365-A411 PolarHBondContact O-N 3.46Å; V365-W413 HydrophobicContact CG1-CH2 4.18Å; V365-W413 HydrophobicContact CG1-CZ2 4.37Å
366P86Confident89.7Confident57 Ų5747.9 Ų47.937%0.3727%0.272SS..SBendtrans-75.2-14.9-170.929.1-35.9000114.2F323 M342 M370F323-P366 VanDerWaalsContact O-CD 3.3Å; F323-P366 WeakPolarHBondContact O-CD 3.22Å; M342-P366 HydrophobicContact CE-CB 4.47Å; P366-M370 HydrophobicContact CG-CE 4.48Å; P366-M370 HydrophobicContact CG-SD 3.96Å
367G79.8Confident89.7Confident19 Ų1944.2 Ų44.220%0.19625%0.254CS..SBendtrans-136149.5-178.200000113.2V365 M370V365-G367 VanDerWaalsContact C-N 3.3Å; V365-G367 PolarHBondContact O-N 3.02Å; G367-M370 WeakPolarHBondContact O-CB 3.48Å; G367-M370 WeakPolarHBondContact O-CG 3.45Å; G367-M370 PolarHBondContact O-N 2.75Å
368V79.8Confident89.5Confident67 Ų6741 Ų4141%0.40623%0.234SC..THydrogen-bonded Turntrans-64.3141.6-179.7-170.60000110.7M370 K376 A411V368-M370 PolarHBondContact O-N 2.9Å; V368-K376 HydrophobicContact CG2-CD 3.97Å; V368-K376 HydrophobicContact CG2-CG 3.47Å; V368-K376 VanDerWaalsContact CG2-CG 3.47Å; V368-A411 HydrophobicContact CG2-CB 4.24Å
369G81.4Confident89.5Confident46 Ų4636.7 Ų36.747%0.47422%0.219SC..THydrogen-bonded Turntrans83.6-17.9179.300000114.5C371 G372 A373G369-C371 PolarHBondContact O-N 2.86Å; G369-G372 PolarHBondContact O-N 3.25Å; G369-A373 PolarHBondContact N-O 3.47Å
370M82.4Confident89.5Confident63 Ų6331 Ų3131%0.3119%0.185SC..G310 helixtrans-58.9125.5172.6-64.2178.6-177.400109.6F323 V365 P366 G367 V368 G372 A373F323-M370 HydrophobicContact CB-CB 4.36Å; F323-M370 HydrophobicContact CB-SD 4.11Å; F323-M370 HydrophobicContact CD1-SD 4.3Å; F323-M370 HydrophobicContact CD2-CB 4.4Å; F323-M370 HydrophobicContact CG-CB 4.47Å; F323-M370 HydrophobicContact CG-CG 4.48Å; F323-M370 HydrophobicContact CG-SD 4.21Å; V365-M370 HydrophobicContact CB-CB 3.87Å; V365-M370 HydrophobicContact CB-SD 4.36Å; V365-M370 HydrophobicContact CG1-CB 4.23Å; V365-M370 HydrophobicContact CG2-CB 3.8Å; P366-M370 HydrophobicContact CG-CE 4.48Å; P366-M370 HydrophobicContact CG-SD 3.96Å; G367-M370 WeakPolarHBondContact O-CB 3.48Å; G367-M370 WeakPolarHBondContact O-CG 3.45Å; G367-M370 PolarHBondContact O-N 2.75Å; V368-M370 PolarHBondContact O-N 2.9Å; M370-G372 PolarHBondContact O-N 2.89Å; M370-A373 WeakPolarHBondContact O-CB 3.4Å; M370-A373 PolarHBondContact O-N 3.08Å
371C84.9Confident89.2Confident5 Ų531 Ų313%0.03418%0.181CC..G310 helixtrans52.128.7178.5-51.10000114.9G267 C321 G369 A373 W413G267-C371 VanDerWaalsContact O-CB 3.3Å; G267-C371 WeakPolarHBondContact O-CB 3.31Å; C321-C371 VanDerWaalsContact CA-SG 3.58Å; C321-C371 HydrophobicContact CB-CB 3.77Å; C321-C371 WeakPolarHBondContact CB-SG 3.33Å; C321-C371 WeakPolarHBondContact SG-CB 3.11Å; C321-C371 CovalentContact SG-SG 2.02Å; C321-C371 PolarHBondContact SG-SG 3.19Å; G369-C371 PolarHBondContact O-N 2.86Å; C371-A373 VanDerWaalsContact C-N 3.34Å; C371-A373 PolarHBondContact O-N 3.01Å; C371-W413 HydrophobicContact CB-CZ2 4.21Å; C371-W413 PolarHBondContact O-NE1 3.18Å
372G85.6Confident88.8Confident24 Ų2432.1 Ų32.125%0.24719%0.185CC..G310 helixtrans78.68.2-178.400000115.6G369 M370 T374G369-G372 PolarHBondContact O-N 3.25Å; M370-G372 PolarHBondContact O-N 2.89Å; G372-T374 PolarHBondContact O-N 3.08Å; G372-T374 VanDerWaalsContact O-N 3.12Å
373A89.7Confident88.2Confident0 Ų035.3 Ų35.30%021%0.205CC..  trans-77.493.1175.300000111V365 G369 M370 C371 A411 I412 W413V365-A373 HydrophobicContact CG2-CB 3.33Å; G369-A373 PolarHBondContact N-O 3.47Å; M370-A373 WeakPolarHBondContact O-CB 3.4Å; M370-A373 PolarHBondContact O-N 3.08Å; C371-A373 VanDerWaalsContact C-N 3.34Å; C371-A373 PolarHBondContact O-N 3.01Å; A373-A411 HydrophobicContact CB-CB 4.11Å; A373-I412 CarbonylContact C-O 3.59Å; A373-I412 VanDerWaalsContact CA-O 3.27Å; A373-I412 WeakPolarHBondContact CA-O 3.14Å; A373-I412 WeakPolarHBondContact CB-O 3.34Å; A373-W413 HydrophobicContact CB-CD2 4.1Å; A373-W413 HydrophobicContact CB-CG 4.45Å; A373-W413 HydrophobicContact CB-CZ2 4.14Å
374T88.4Confident87.7Confident82 Ų8241.2 Ų41.250%0.50323%0.234SC..  trans-93.5-15.4-178.852.90000114G372 K376 I412G372-T374 PolarHBondContact O-N 3.08Å; G372-T374 VanDerWaalsContact O-N 3.12Å; T374-K376 PolarHBondContact O-N 3.16Å; T374-I412 PolarHBondContact N-O 3.34Å
375Q92.4Very high87.3Confident54 Ų5442.5 Ų42.525%0.25224%0.241SC..EExtended strand (participates in β ladder)trans-88110.9-172.7-179.654.768.600111V309 A411 I412V309-Q375 WeakPolarHBondContact O-CG 3.46Å; Q375-A411 WeakPolarHBondContact O-CA 3.38Å; Q375-I412 HydrophobicContact CB-CG1 3.93Å; Q375-I412 WeakPolarHBondContact CB-O 3.41Å; Q375-I412 HydrophobicContact CG-CD1 4.4Å; Q375-I412 HydrophobicContact CG-CG1 3.88Å; Q375-I412 PolarHBondContact N-O 2.98Å; Q375-I412 PolarHBondContact O-N 2.88Å
376K91.5Very high87.1Confident40 Ų4042.5 Ų42.517%0.17424%0.241CC..EExtended strand (participates in β ladder)trans-72.4134.2178.5-71.7171.9-76.1168.10111.3V368 T374 Y378 E392 V408V368-K376 HydrophobicContact CG2-CD 3.97Å; V368-K376 HydrophobicContact CG2-CG 3.47Å; V368-K376 VanDerWaalsContact CG2-CG 3.47Å; T374-K376 PolarHBondContact O-N 3.16Å; K376-Y378 HydrophobicContact CB-CD2 4.17Å; K376-Y378 HydrophobicContact CB-CE1 4.41Å; K376-Y378 HydrophobicContact CB-CE2 3.6Å; K376-Y378 HydrophobicContact CD-CE1 4.24Å; K376-Y378 HydrophobicContact CD-CE2 4.42Å; K376-Y378 VanDerWaalsContact CD-OH 3.3Å; K376-Y378 WeakPolarHBondContact CD-OH 3.49Å; K376-Y378 WeakPolarHBondContact CE-OH 3.38Å; K376-Y378 PolarHBondContact NZ-OH 3.4Å; K376-E392 WeakPolarHBondContact CE-OE2 3.48Å; K376-E392 IonicContact NZ-OE1 2.64Å; K376-E392 IonicContact NZ-OE2 2.66Å; K376-E392 PolarHBondContact NZ-OE2 3.14Å; K376-V408 HydrophobicContact CB-CG1 4.38Å; K376-V408 HydrophobicContact CB-CG2 4.28Å; K376-V408 HydrophobicContact CD-CG2 4.08Å; K376-V408 HydrophobicContact CG-CG1 4.34Å; K376-V408 HydrophobicContact CG-CG2 4.07Å
377I95.4Very high87.4Confident0 Ų040 Ų400%022%0.224CC..EExtended strand (participates in β ladder)trans-109.2115.5160.9-62.9-62000107.9L289 V309 Q389 V408 S409 F410 I412L289-I377 HydrophobicContact CD1-CG2 4.08Å; V309-I377 HydrophobicContact CB-CD1 4.39Å; V309-I377 HydrophobicContact CG2-CD1 4.02Å; I377-Q389 HydrophobicContact CG2-CB 4.1Å; I377-V408 CarbonylContact O-C 3.39Å; I377-S409 PolarHBondContact O-N 2.74Å; I377-F410 HydrophobicContact CB-CD2 4.2Å; I377-F410 HydrophobicContact CB-CE2 3.97Å; I377-F410 HydrophobicContact CB-CZ 4.22Å; I377-F410 HydrophobicContact CG1-CD2 4.23Å; I377-F410 HydrophobicContact CG1-CE2 3.79Å; I377-F410 HydrophobicContact CG1-CZ 4.34Å; I377-F410 HydrophobicContact CG2-CE1 4.27Å; I377-F410 HydrophobicContact CG2-CE2 4.19Å; I377-F410 HydrophobicContact CG2-CZ 3.93Å; I377-F410 PolarHBondContact N-O 3.47Å; I377-I412 HydrophobicContact CD1-CD1 3.89Å; I377-I412 HydrophobicContact CG1-CD1 3.89Å; I377-I412 HydrophobicContact CG1-CG1 4.21Å
378Y93.1Very high88.1Confident2 Ų239.3 Ų39.31%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-92.4144.7-174.2-67.1-82.9000112.5K376 Q389 V390 E392 L395 Y405 G407 V408K376-Y378 HydrophobicContact CB-CD2 4.17Å; K376-Y378 HydrophobicContact CB-CE1 4.41Å; K376-Y378 HydrophobicContact CB-CE2 3.6Å; K376-Y378 HydrophobicContact CD-CE1 4.24Å; K376-Y378 HydrophobicContact CD-CE2 4.42Å; K376-Y378 VanDerWaalsContact CD-OH 3.3Å; K376-Y378 WeakPolarHBondContact CD-OH 3.49Å; K376-Y378 WeakPolarHBondContact CE-OH 3.38Å; K376-Y378 PolarHBondContact NZ-OH 3.4Å; Y378-Q389 VanDerWaalsContact O-CA 3.23Å; Y378-Q389 WeakPolarHBondContact O-CA 3.45Å; Y378-V390 PolarHBondContact N-O 2.81Å; Y378-V390 PolarHBondContact O-N 2.97Å; Y378-V390 VanDerWaalsContact O-N 3.11Å; Y378-E392 HydrophobicContact CE2-CB 3.72Å; Y378-E392 HydrophobicContact CE2-CG 3.88Å; Y378-E392 WeakPolarHBondContact CE2-OE2 3.34Å; Y378-E392 VanDerWaalsContact OH-CD 3.29Å; Y378-E392 PolarHBondContact OH-OE2 3.21Å; Y378-L395 HydrophobicContact CD1-CD1 4.12Å; Y378-L395 HydrophobicContact CD1-CD2 4.32Å; Y378-L395 HydrophobicContact CD2-CD1 3.9Å; Y378-L395 HydrophobicContact CD2-CD2 4.16Å; Y378-L395 HydrophobicContact CD2-CG 4.1Å; Y378-L395 HydrophobicContact CE1-CD1 3.94Å; Y378-L395 HydrophobicContact CE2-CD1 3.75Å; Y378-L395 HydrophobicContact CE2-CG 4.37Å; Y378-L395 HydrophobicContact CG-CD1 4.05Å; Y378-L395 HydrophobicContact CG-CD2 3.85Å; Y378-L395 HydrophobicContact CG-CG 4.25Å; Y378-Y405 AromaticContact CD1-CE2 3.56Å; Y378-Y405 HydrophobicContact CD1-CE2 3.56Å; Y378-Y405 AromaticContact CE1-CE2 3.95Å; Y378-Y405 HydrophobicContact CE1-CE2 3.95Å; Y378-G407 CarbonylContact C-O 3.17Å; Y378-G407 WeakPolarHBondContact CA-O 3.42Å; Y378-V408 HydrophobicContact CD1-CG2 3.71Å; Y378-V408 HydrophobicContact CE1-CG2 3.62Å
379E92.6Very high88.8Confident22 Ų2236.1 Ų36.110%0.10320%0.197CC..EExtended strand (participates in β ladder)trans-99.5129171.9-153.6164.7130.400110.1Y339 I387 Q389 Q406 G407 S409Y339-E379 VanDerWaalsContact CE2-CD 3.48Å; Y339-E379 HydrophobicContact CE2-CG 4.28Å; Y339-E379 VanDerWaalsContact CE2-OE2 3.3Å; Y339-E379 WeakPolarHBondContact CE2-OE2 3.45Å; Y339-E379 PolarHBondContact OH-OE1 2.89Å; Y339-E379 VanDerWaalsContact OH-OE1 3.04Å; Y339-E379 PolarHBondContact OH-OE2 3.14Å; E379-I387 HydrophobicContact CG-CG2 3.64Å; E379-Q389 HydrophobicContact CG-CG 4.29Å; E379-Q406 HydrophobicContact CB-CB 3.96Å; E379-Q406 HydrophobicContact CG-CB 4.1Å; E379-Q406 PolarHBondContact O-N 3.2Å; E379-G407 PolarHBondContact N-O 3.36Å; E379-G407 PolarHBondContact O-N 3.45Å; E379-S409 VanDerWaalsContact CB-OG 3.27Å; E379-S409 WeakPolarHBondContact CB-OG 3.38Å; E379-S409 PolarHBondContact OE2-OG 3.04Å
380L90Very high89.5Confident0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-130.3150.1166.4-44.989.6000109.8I387 I388 V390 L395 L398 L399 Y403 V404L380-I387 WeakPolarHBondContact O-CA 3.03Å; L380-I388 HydrophobicContact CB-CG2 3.97Å; L380-I388 HydrophobicContact CD1-CG2 4.08Å; L380-I388 PolarHBondContact N-O 3.18Å; L380-I388 PolarHBondContact O-N 2.67Å; L380-V390 HydrophobicContact CD1-CG2 3.46Å; L380-V390 VanDerWaalsContact CD1-CG2 3.46Å; L380-L395 HydrophobicContact CD1-CD2 4.04Å; L380-L395 HydrophobicContact CD2-CD2 4.05Å; L380-L395 HydrophobicContact CG-CD2 4.32Å; L380-L398 HydrophobicContact CD1-CD1 4.4Å; L380-L398 HydrophobicContact CD2-CB 4.07Å; L380-L399 HydrophobicContact CD2-CD2 3.83Å; L380-L399 HydrophobicContact CD2-CG 4.07Å; L380-Y403 HydrophobicContact CB-CD1 4.12Å; L380-Y403 HydrophobicContact CB-CG 4.4Å; L380-V404 CarbonylContact C-O 3.14Å; L380-V404 VanDerWaalsContact CA-O 3.29Å; L380-V404 WeakPolarHBondContact CA-O 3.31Å
381Y88Confident90.1Very high88 Ų8831.5 Ų31.535%0.34516%0.163SC..EExtended strand (participates in β ladder)trans-124.3144.9178174.3-96.3000110.8P383 G386 I387 V404Y381-P383 HydrophobicContact CE1-CG 4.28Å; Y381-G386 WeakPolarHBondContact CA-O 3.36Å; Y381-I387 HydrophobicContact CD2-CG1 3.97Å; Y381-V404 PolarHBondContact N-O 3Å; Y381-V404 PolarHBondContact O-N 2.98Å
382K86.2Confident90.4Very high52 Ų5235.8 Ų35.823%0.22618%0.183CC..EExtended strand (participates in β ladder)trans-142.7137.9170.4-178.6172.4171.6-165.30110.3H384 D385 G386 S401 G402 Y403K382-H384 PolarHBondContact O-N 2.88Å; K382-D385 HydrophobicContact CB-CB 4.12Å; K382-D385 HydrophobicContact CD-CB 4.24Å; K382-D385 VanDerWaalsContact CD-OD2 3.23Å; K382-D385 WeakPolarHBondContact CD-OD2 3.29Å; K382-D385 WeakPolarHBondContact CE-OD2 3.37Å; K382-D385 HydrophobicContact CG-CB 4.23Å; K382-D385 IonicContact NZ-OD2 3.33Å; K382-D385 PolarHBondContact NZ-OD2 3.21Å; K382-D385 PolarHBondContact O-N 3.39Å; K382-G386 PolarHBondContact N-O 2.93Å; K382-G386 PolarHBondContact O-N 2.81Å; K382-S401 PolarHBondContact NZ-O 3.46Å; K382-G402 WeakPolarHBondContact CD-O 3.28Å; K382-Y403 HydrophobicContact CB-CD1 3.42Å; K382-Y403 VanDerWaalsContact CB-CD1 3.42Å; K382-Y403 HydrophobicContact CB-CD2 4.33Å; K382-Y403 HydrophobicContact CB-CE1 3.59Å; K382-Y403 HydrophobicContact CB-CE2 4.49Å; K382-Y403 HydrophobicContact CB-CG 3.83Å; K382-Y403 HydrophobicContact CD-CD1 4.32Å; K382-Y403 HydrophobicContact CD-CD2 3.73Å; K382-Y403 HydrophobicContact CD-CE1 4.32Å; K382-Y403 HydrophobicContact CD-CE2 3.76Å; K382-Y403 HydrophobicContact CD-CG 4.03Å
383P83.2Confident90.7Very high73 Ų7339.7 Ų39.747%0.47421%0.206SC..THydrogen-bonded Turntrans-52.9138174.9-27.635.9000111.9Y381 D385Y381-P383 HydrophobicContact CE1-CG 4.28Å; P383-D385 PolarHBondContact O-N 3.32Å
384H84.9Confident90.8Very high172 Ų17240.8 Ų40.880%0.79621%0.212SC*.THydrogen-bonded Turntrans63.8-35-175.3-45.2-77000116.6K382K382-H384 PolarHBondContact O-N 2.88Å
385D87.2Confident90.9Very high27 Ų2738 Ų3814%0.14419%0.193CC..THydrogen-bonded Turntrans-79.3-19.4174.6-69-28.9000112.6K285 K382 P383 Y403K285-D385 WeakPolarHBondContact CD-OD1 3.22Å; K285-D385 IonicContact NZ-OD1 3.77Å; K285-D385 PolarHBondContact NZ-OD1 3.2Å; K382-D385 HydrophobicContact CB-CB 4.12Å; K382-D385 HydrophobicContact CD-CB 4.24Å; K382-D385 VanDerWaalsContact CD-OD2 3.23Å; K382-D385 WeakPolarHBondContact CD-OD2 3.29Å; K382-D385 WeakPolarHBondContact CE-OD2 3.37Å; K382-D385 HydrophobicContact CG-CB 4.23Å; K382-D385 IonicContact NZ-OD2 3.33Å; K382-D385 PolarHBondContact NZ-OD2 3.21Å; K382-D385 PolarHBondContact O-N 3.39Å; P383-D385 PolarHBondContact O-N 3.32Å; D385-Y403 HydrophobicContact CB-CE1 4.35Å
386G87.3Confident90.8Very high0 Ų040.1 Ų40.10%021%0.214CC..EExtended strand (participates in β ladder)trans81.5-155.8173.800000114.8Y381 K382Y381-G386 WeakPolarHBondContact CA-O 3.36Å; K382-G386 PolarHBondContact N-O 2.93Å; K382-G386 PolarHBondContact O-N 2.81Å
387I91.2Very high90.8Very high4 Ų444.1 Ų44.12%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-82.8140.7173.3-57.1173000109T337 Y339 E379 L380 Y381 Q389T337-I387 PolarHBondContact OG1-O 3.29Å; Y339-I387 HydrophobicContact CD1-CD1 4.1Å; Y339-I387 HydrophobicContact CD2-CB 4.19Å; Y339-I387 HydrophobicContact CD2-CD1 3.92Å; Y339-I387 HydrophobicContact CD2-CG2 3.6Å; Y339-I387 HydrophobicContact CE1-CD1 4.07Å; Y339-I387 HydrophobicContact CE2-CD1 3.93Å; Y339-I387 HydrophobicContact CE2-CG2 3.8Å; Y339-I387 HydrophobicContact CG-CD1 4.03Å; E379-I387 HydrophobicContact CG-CG2 3.64Å; L380-I387 WeakPolarHBondContact O-CA 3.03Å; Y381-I387 HydrophobicContact CD2-CG1 3.97Å; I387-Q389 HydrophobicContact CG2-CG 4.4Å
388I94Very high90.7Very high5 Ų544.9 Ų44.93%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-130.6144170.6-160.3174.3000109.6Y280 N287 L380 V390 L398 Y403Y280-I388 HydrophobicContact CE2-CD1 4.43Å; N287-I388 HydrophobicContact CB-CD1 4.23Å; N287-I388 HydrophobicContact CB-CG1 3.74Å; N287-I388 VanDerWaalsContact CG-CG1 3.4Å; N287-I388 WeakPolarHBondContact OD1-CG1 3.27Å; L380-I388 HydrophobicContact CB-CG2 3.97Å; L380-I388 HydrophobicContact CD1-CG2 4.08Å; L380-I388 PolarHBondContact N-O 3.18Å; L380-I388 PolarHBondContact O-N 2.67Å; I388-V390 HydrophobicContact CD1-CG1 4.34Å; I388-V390 HydrophobicContact CG1-CG1 4.11Å; I388-L398 HydrophobicContact CD1-CD1 4.3Å; I388-L398 HydrophobicContact CD1-CD2 4.19Å; I388-L398 HydrophobicContact CG2-CD1 4.38Å; I388-Y403 HydrophobicContact CB-CE1 3.94Å; I388-Y403 HydrophobicContact CG2-CD1 3.59Å; I388-Y403 HydrophobicContact CG2-CE1 3.44Å; I388-Y403 VanDerWaalsContact CG2-CE1 3.44Å; I388-Y403 HydrophobicContact CG2-CG 4.41Å
389Q95.7Very high90.5Very high0 Ų048.4 Ų48.40%026%0.256CS..EExtended strand (participates in β ladder)trans-128.6128.5-179.1-73.1166.2-64.300112.1N287 Y339 Y340 I377 Y378 E379 I387 S409N287-Q389 PolarHBondContact ND2-O 2.81Å; Y339-Q389 VanDerWaalsContact CD2-OE1 3.3Å; Y340-Q389 PolarHBondContact O-NE2 3.23Å; I377-Q389 HydrophobicContact CG2-CB 4.1Å; Y378-Q389 VanDerWaalsContact O-CA 3.23Å; Y378-Q389 WeakPolarHBondContact O-CA 3.45Å; E379-Q389 HydrophobicContact CG-CG 4.29Å; I387-Q389 HydrophobicContact CG2-CG 4.4Å; Q389-S409 VanDerWaalsContact NE2-CB 3.28Å; Q389-S409 PolarHBondContact NE2-OG 3.09Å
390V95.5Very high90.5Very high0 Ų052.3 Ų52.30%029%0.286CS..EExtended strand (participates in β ladder)trans-150.7159.2-160.5-59.80000113.8Y378 L380 I388 M394 L398Y378-V390 PolarHBondContact N-O 2.81Å; Y378-V390 PolarHBondContact O-N 2.97Å; Y378-V390 VanDerWaalsContact O-N 3.11Å; L380-V390 HydrophobicContact CD1-CG2 3.46Å; L380-V390 VanDerWaalsContact CD1-CG2 3.46Å; I388-V390 HydrophobicContact CD1-CG1 4.34Å; I388-V390 HydrophobicContact CG1-CG1 4.11Å; V390-M394 HydrophobicContact CB-CB 4.27Å; V390-M394 HydrophobicContact CG2-CB 4.44Å; V390-L398 HydrophobicContact CB-CD1 4.28Å; V390-L398 HydrophobicContact CG1-CD1 3.62Å; V390-L398 HydrophobicContact CG2-CD1 3.98Å
391P94.7Very high90.5Very high12 Ų1254.9 Ų54.98%0.07830%0.304CS..  trans-75.1166.7166.734.5-38.5000112.3V309 S393 M394V309-P391 HydrophobicContact CB-CB 4.25Å; V309-P391 HydrophobicContact CB-CG 4.32Å; V309-P391 HydrophobicContact CG1-CB 4.23Å; V309-P391 HydrophobicContact CG1-CG 3.76Å; P391-S393 VanDerWaalsContact C-N 3.26Å; P391-S393 PolarHBondContact O-N 2.97Å; P391-M394 HydrophobicContact CG-CG 4.4Å; P391-M394 PolarHBondContact O-N 3.08Å
392E91.9Very high90.6Very high94 Ų9452.9 Ų52.944%0.43931%0.31SS..G310 helixtrans-52-40-178.8-159.4147.3131.800114.3K376 Y378 M394 L395K376-E392 WeakPolarHBondContact CE-OE2 3.48Å; K376-E392 IonicContact NZ-OE1 2.64Å; K376-E392 IonicContact NZ-OE2 2.66Å; K376-E392 PolarHBondContact NZ-OE2 3.14Å; Y378-E392 HydrophobicContact CE2-CB 3.72Å; Y378-E392 HydrophobicContact CE2-CG 3.88Å; Y378-E392 WeakPolarHBondContact CE2-OE2 3.34Å; Y378-E392 VanDerWaalsContact OH-CD 3.29Å; Y378-E392 PolarHBondContact OH-OE2 3.21Å; E392-M394 PolarHBondContact O-N 2.8Å; E392-L395 HydrophobicContact CG-CD1 4.34Å; E392-L395 WeakPolarHBondContact O-CB 3.25Å; E392-L395 PolarHBondContact O-N 3.33Å
393S92.5Very high90.8Very high106 Ų10651.4 Ų51.474%0.74130%0.303SS*.G310 helixtrans-59.8-13.1-177.153.70000114.9P391P391-S393 VanDerWaalsContact C-N 3.26Å; P391-S393 PolarHBondContact O-N 2.97Å
394M91.8Very high90.8Very high24 Ų2452 Ų5212%0.11831%0.305CS..G310 helixtrans-108.4-4.7179.7-58-156.473.500114.2R278 V390 P391 E392 Q397 L398R278-M394 PolarHBondContact NH1-SD 3.21Å; V390-M394 HydrophobicContact CB-CB 4.27Å; V390-M394 HydrophobicContact CG2-CB 4.44Å; P391-M394 HydrophobicContact CG-CG 4.4Å; P391-M394 PolarHBondContact O-N 3.08Å; E392-M394 PolarHBondContact O-N 2.8Å; M394-Q397 PolarHBondContact O-N 3.27Å; M394-L398 HydrophobicContact CB-CD1 4.14Å; M394-L398 PolarHBondContact O-N 2.82Å
395L90.7Very high90.8Very high22 Ų2248.1 Ų48.112%0.11528%0.284CS..Hα-helixtrans-56.9-56-178-75.5-179.1000111.8Y378 L380 E392 Q397 L398 L399 Y405Y378-L395 HydrophobicContact CD1-CD1 4.12Å; Y378-L395 HydrophobicContact CD1-CD2 4.32Å; Y378-L395 HydrophobicContact CD2-CD1 3.9Å; Y378-L395 HydrophobicContact CD2-CD2 4.16Å; Y378-L395 HydrophobicContact CD2-CG 4.1Å; Y378-L395 HydrophobicContact CE1-CD1 3.94Å; Y378-L395 HydrophobicContact CE2-CD1 3.75Å; Y378-L395 HydrophobicContact CE2-CG 4.37Å; Y378-L395 HydrophobicContact CG-CD1 4.05Å; Y378-L395 HydrophobicContact CG-CD2 3.85Å; Y378-L395 HydrophobicContact CG-CG 4.25Å; L380-L395 HydrophobicContact CD1-CD2 4.04Å; L380-L395 HydrophobicContact CD2-CD2 4.05Å; L380-L395 HydrophobicContact CG-CD2 4.32Å; E392-L395 HydrophobicContact CG-CD1 4.34Å; E392-L395 WeakPolarHBondContact O-CB 3.25Å; E392-L395 PolarHBondContact O-N 3.33Å; L395-Q397 PolarHBondContact O-N 3.06Å; L395-L398 PolarHBondContact O-N 3.38Å; L395-L398 VanDerWaalsContact O-N 3.09Å; L395-L399 HydrophobicContact CB-CD1 4.32Å; L395-L399 WeakPolarHBondContact O-CB 3.27Å; L395-L399 WeakPolarHBondContact O-CG 3.42Å; L395-L399 PolarHBondContact O-N 3.27Å; L395-Y405 HydrophobicContact CD2-CD2 4.48Å
396S89.4Confident90.6Very high99 Ų9952 Ų5269%0.69230%0.302SS*.Hα-helixtrans-58.8-35.2-175.9-480000113S400S396-S400 WeakPolarHBondContact O-CB 3.49Å; S396-S400 PolarHBondContact O-N 3.11Å; S396-S400 PolarHBondContact O-OG 3.29Å
397Q92.7Very high90.4Very high124 Ų12452.7 Ų52.758%0.57931%0.309SS*.Hα-helixtrans-70.3-45.4175.9-174.6-175.23.400111.5M394 L395 S400 S401M394-Q397 PolarHBondContact O-N 3.27Å; L395-Q397 PolarHBondContact O-N 3.06Å; Q397-S400 PolarHBondContact O-OG 3.26Å; Q397-S401 WeakPolarHBondContact O-CB 3.3Å; Q397-S401 PolarHBondContact O-N 3.5Å; Q397-S401 VanDerWaalsContact O-N 3.09Å; Q397-S401 PolarHBondContact O-OG 2.73Å
398L92.4Very high90.1Very high17 Ų1754.9 Ų54.99%0.08932%0.323CS..Hα-helixtrans-72.8-41-176.7-72.1164.8000111.9L380 I388 V390 M394 L395 S401 G402 Y403L380-L398 HydrophobicContact CD1-CD1 4.4Å; L380-L398 HydrophobicContact CD2-CB 4.07Å; I388-L398 HydrophobicContact CD1-CD1 4.3Å; I388-L398 HydrophobicContact CD1-CD2 4.19Å; I388-L398 HydrophobicContact CG2-CD1 4.38Å; V390-L398 HydrophobicContact CB-CD1 4.28Å; V390-L398 HydrophobicContact CG1-CD1 3.62Å; V390-L398 HydrophobicContact CG2-CD1 3.98Å; M394-L398 HydrophobicContact CB-CD1 4.14Å; M394-L398 PolarHBondContact O-N 2.82Å; L395-L398 PolarHBondContact O-N 3.38Å; L395-L398 VanDerWaalsContact O-N 3.09Å; L398-S401 WeakPolarHBondContact CA-OG 3.38Å; L398-S401 CarbonylContact O-C 3.51Å; L398-S401 WeakPolarHBondContact O-CA 3.31Å; L398-S401 PolarHBondContact O-N 3.28Å; L398-S401 VanDerWaalsContact O-N 3.1Å; L398-S401 PolarHBondContact O-OG 2.77Å; L398-G402 PolarHBondContact O-N 3.01Å; L398-Y403 HydrophobicContact CB-CD2 4.11Å; L398-Y403 HydrophobicContact CB-CG 4.36Å; L398-Y403 HydrophobicContact CD2-CD2 3.76Å; L398-Y403 HydrophobicContact CD2-CE2 3.65Å; L398-Y403 WeakPolarHBondContact O-CB 3.4Å; L398-Y403 PolarHBondContact O-N 2.96Å
399L89Confident89.9Confident75 Ų7555.8 Ų55.839%0.39333%0.329SS..Hα-helixtrans-58.7-47.2173.7-66.7170000111.4L380 L395 S401 G402 Y403L380-L399 HydrophobicContact CD2-CD2 3.83Å; L380-L399 HydrophobicContact CD2-CG 4.07Å; L395-L399 HydrophobicContact CB-CD1 4.32Å; L395-L399 WeakPolarHBondContact O-CB 3.27Å; L395-L399 WeakPolarHBondContact O-CG 3.42Å; L395-L399 PolarHBondContact O-N 3.27Å; L399-S401 PolarHBondContact O-N 3.33Å; L399-G402 PolarHBondContact O-N 2.88Å; L399-Y403 WeakPolarHBondContact CD2-O 3.39Å
400S91.3Very high89.7Confident104 Ų10455.8 Ų55.873%0.72733%0.329SS*.Hα-helixtrans-66.8-22.8175.957.30000113.8S396 Q397 G402S396-S400 WeakPolarHBondContact O-CB 3.49Å; S396-S400 PolarHBondContact O-N 3.11Å; S396-S400 PolarHBondContact O-OG 3.29Å; Q397-S400 PolarHBondContact O-OG 3.26Å; S400-G402 VanDerWaalsContact C-N 3.27Å; S400-G402 PolarHBondContact O-N 2.89Å
401S91.5Very high89.6Confident55 Ų5555.8 Ų55.839%0.38533%0.329SS..THydrogen-bonded Turntrans-84.48.8171.179.10000114.9K382 Q397 L398 L399 Y403K382-S401 PolarHBondContact NZ-O 3.46Å; Q397-S401 WeakPolarHBondContact O-CB 3.3Å; Q397-S401 PolarHBondContact O-N 3.5Å; Q397-S401 VanDerWaalsContact O-N 3.09Å; Q397-S401 PolarHBondContact O-OG 2.73Å; L398-S401 WeakPolarHBondContact CA-OG 3.38Å; L398-S401 CarbonylContact O-C 3.51Å; L398-S401 WeakPolarHBondContact O-CA 3.31Å; L398-S401 PolarHBondContact O-N 3.28Å; L398-S401 VanDerWaalsContact O-N 3.1Å; L398-S401 PolarHBondContact O-OG 2.77Å; L399-S401 PolarHBondContact O-N 3.33Å; S401-Y403 WeakPolarHBondContact OG-CD2 3.46Å
402G90.2Very high89.7Confident46 Ų4655.2 Ų55.247%0.47433%0.326SS..THydrogen-bonded Turntrans8620.417500000115.5K382 L398 L399 S400K382-G402 WeakPolarHBondContact CD-O 3.28Å; L398-G402 PolarHBondContact O-N 3.01Å; L399-G402 PolarHBondContact O-N 2.88Å; S400-G402 VanDerWaalsContact C-N 3.27Å; S400-G402 PolarHBondContact O-N 2.89Å
403Y90.8Very high89.9Confident20 Ų2051 Ų518%0.07831%0.306CS..PPolyproline II helixtrans-78.7146.2163.6-76.8-98.3000110.7L380 K382 D385 I388 L398 L399 S401L380-Y403 HydrophobicContact CB-CD1 4.12Å; L380-Y403 HydrophobicContact CB-CG 4.4Å; K382-Y403 HydrophobicContact CB-CD1 3.42Å; K382-Y403 VanDerWaalsContact CB-CD1 3.42Å; K382-Y403 HydrophobicContact CB-CD2 4.33Å; K382-Y403 HydrophobicContact CB-CE1 3.59Å; K382-Y403 HydrophobicContact CB-CE2 4.49Å; K382-Y403 HydrophobicContact CB-CG 3.83Å; K382-Y403 HydrophobicContact CD-CD1 4.32Å; K382-Y403 HydrophobicContact CD-CD2 3.73Å; K382-Y403 HydrophobicContact CD-CE1 4.32Å; K382-Y403 HydrophobicContact CD-CE2 3.76Å; K382-Y403 HydrophobicContact CD-CG 4.03Å; D385-Y403 HydrophobicContact CB-CE1 4.35Å; I388-Y403 HydrophobicContact CB-CE1 3.94Å; I388-Y403 HydrophobicContact CG2-CD1 3.59Å; I388-Y403 HydrophobicContact CG2-CE1 3.44Å; I388-Y403 VanDerWaalsContact CG2-CE1 3.44Å; I388-Y403 HydrophobicContact CG2-CG 4.41Å; L398-Y403 HydrophobicContact CB-CD2 4.11Å; L398-Y403 HydrophobicContact CB-CG 4.36Å; L398-Y403 HydrophobicContact CD2-CD2 3.76Å; L398-Y403 HydrophobicContact CD2-CE2 3.65Å; L398-Y403 WeakPolarHBondContact O-CB 3.4Å; L398-Y403 PolarHBondContact O-N 2.96Å; L399-Y403 WeakPolarHBondContact CD2-O 3.39Å; S401-Y403 WeakPolarHBondContact OG-CD2 3.46Å
404V83.1Confident89.9Confident85 Ų8548.4 Ų48.452%0.51529%0.286SS..EExtended strand (participates in β ladder)trans-103.3126.5176.2-175.60000108.9L380 Y381L380-V404 CarbonylContact C-O 3.14Å; L380-V404 VanDerWaalsContact CA-O 3.29Å; L380-V404 WeakPolarHBondContact CA-O 3.31Å; Y381-V404 PolarHBondContact N-O 3Å; Y381-V404 PolarHBondContact O-N 2.98Å
405Y84.1Confident89.7Confident91 Ų9149.5 Ų49.536%0.35729%0.294SS..EExtended strand (participates in β ladder)trans-56135.1173.1-175-98.1000111.2Y378 L395Y378-Y405 AromaticContact CD1-CE2 3.56Å; Y378-Y405 HydrophobicContact CD1-CE2 3.56Å; Y378-Y405 AromaticContact CE1-CE2 3.95Å; Y378-Y405 HydrophobicContact CE1-CE2 3.95Å; L395-Y405 HydrophobicContact CD2-CD2 4.48Å
406Q82.3Confident88.8Confident108 Ų10856.5 Ų56.551%0.50535%0.345SS..EExtended strand (participates in β ladder)trans-116.5-27.1174.8-63.4-63.6-83.500112.6E379E379-Q406 HydrophobicContact CB-CB 3.96Å; E379-Q406 HydrophobicContact CG-CB 4.1Å; E379-Q406 PolarHBondContact O-N 3.2Å
407G83.8Confident88.7Confident16 Ų1654.4 Ų54.417%0.16533%0.328CS..EExtended strand (participates in β ladder)trans153.3-164.417600000113.5Y378 E379Y378-G407 CarbonylContact C-O 3.17Å; Y378-G407 WeakPolarHBondContact CA-O 3.42Å; E379-G407 PolarHBondContact N-O 3.36Å; E379-G407 PolarHBondContact O-N 3.45Å
408V84.7Confident88.5Confident49 Ų4950.7 Ų50.730%0.29732%0.315SS..EExtended strand (participates in β ladder)trans-93.6120.9159.1175.20000106.7K376 I377 Y378 F410K376-V408 HydrophobicContact CB-CG1 4.38Å; K376-V408 HydrophobicContact CB-CG2 4.28Å; K376-V408 HydrophobicContact CD-CG2 4.08Å; K376-V408 HydrophobicContact CG-CG1 4.34Å; K376-V408 HydrophobicContact CG-CG2 4.07Å; I377-V408 CarbonylContact O-C 3.39Å; Y378-V408 HydrophobicContact CD1-CG2 3.71Å; Y378-V408 HydrophobicContact CE1-CG2 3.62Å; V408-F410 WeakPolarHBondContact CG1-O 3.34Å
409S89.1Confident88.3Confident24 Ų2452.6 Ų52.617%0.16833%0.327CS..EExtended strand (participates in β ladder)trans-71-40177.2-56.30000111.5I377 E379 Q389I377-S409 PolarHBondContact O-N 2.74Å; E379-S409 VanDerWaalsContact CB-OG 3.27Å; E379-S409 WeakPolarHBondContact CB-OG 3.38Å; E379-S409 PolarHBondContact OE2-OG 3.04Å; Q389-S409 VanDerWaalsContact NE2-CB 3.28Å; Q389-S409 PolarHBondContact NE2-OG 3.09Å
410F93.3Very high88.3Confident0 Ų051.3 Ų51.30%032%0.323CS..EExtended strand (participates in β ladder)trans-168.4166179.452-91.6000111.4L289 V327 M342 A364 I377 V408 I412L289-F410 HydrophobicContact CD1-CZ 4.23Å; V327-F410 HydrophobicContact CG1-CE1 3.98Å; V327-F410 HydrophobicContact CG1-CZ 3.98Å; V327-F410 HydrophobicContact CG2-CD2 4.47Å; V327-F410 HydrophobicContact CG2-CE2 4.45Å; M342-F410 HydrophobicContact CE-CB 4.43Å; M342-F410 HydrophobicContact SD-CB 3.29Å; M342-F410 WeakPolarHBondContact SD-CB 3.38Å; M342-F410 HydrophobicContact SD-CD1 4.15Å; M342-F410 HydrophobicContact SD-CG 3.78Å; A364-F410 HydrophobicContact CB-CD2 4.03Å; I377-F410 HydrophobicContact CB-CD2 4.2Å; I377-F410 HydrophobicContact CB-CE2 3.97Å; I377-F410 HydrophobicContact CB-CZ 4.22Å; I377-F410 HydrophobicContact CG1-CD2 4.23Å; I377-F410 HydrophobicContact CG1-CE2 3.79Å; I377-F410 HydrophobicContact CG1-CZ 4.34Å; I377-F410 HydrophobicContact CG2-CE1 4.27Å; I377-F410 HydrophobicContact CG2-CE2 4.19Å; I377-F410 HydrophobicContact CG2-CZ 3.93Å; I377-F410 PolarHBondContact N-O 3.47Å; V408-F410 WeakPolarHBondContact CG1-O 3.34Å; F410-I412 HydrophobicContact CD2-CG2 3.68Å; F410-I412 HydrophobicContact CE2-CG2 3.74Å
411A92.5Very high88.1Confident0 Ų048 Ų480%030%0.298CS..EExtended strand (participates in β ladder)trans-111.3143.8173.400000111.5V365 V368 A373 Q375V365-A411 HydrophobicContact CG2-CB 4.17Å; V365-A411 PolarHBondContact N-O 3.31Å; V365-A411 PolarHBondContact O-N 3.46Å; V368-A411 HydrophobicContact CG2-CB 4.24Å; A373-A411 HydrophobicContact CB-CB 4.11Å; Q375-A411 WeakPolarHBondContact O-CA 3.38Å
412I96.2Very high87.8Confident0 Ų047.5 Ų47.50%029%0.292CS..EExtended strand (participates in β ladder)trans-127.8178.1177.766.8178.4000110.3L276 V309 K311 A364 A373 T374 Q375 I377 F410L276-I412 HydrophobicContact CD2-CD1 3.88Å; V309-I412 HydrophobicContact CG2-CD1 4.4Å; K311-I412 WeakPolarHBondContact O-CB 3.44Å; A364-I412 HydrophobicContact CB-CG2 4.08Å; A373-I412 CarbonylContact C-O 3.59Å; A373-I412 VanDerWaalsContact CA-O 3.27Å; A373-I412 WeakPolarHBondContact CA-O 3.14Å; A373-I412 WeakPolarHBondContact CB-O 3.34Å; T374-I412 PolarHBondContact N-O 3.34Å; Q375-I412 HydrophobicContact CB-CG1 3.93Å; Q375-I412 WeakPolarHBondContact CB-O 3.41Å; Q375-I412 HydrophobicContact CG-CD1 4.4Å; Q375-I412 HydrophobicContact CG-CG1 3.88Å; Q375-I412 PolarHBondContact N-O 2.98Å; Q375-I412 PolarHBondContact O-N 2.88Å; I377-I412 HydrophobicContact CD1-CD1 3.89Å; I377-I412 HydrophobicContact CG1-CD1 3.89Å; I377-I412 HydrophobicContact CG1-CG1 4.21Å; F410-I412 HydrophobicContact CD2-CG2 3.68Å; F410-I412 HydrophobicContact CE2-CG2 3.74Å
413W95.8Very high87.7Confident7 Ų747.6 Ų47.63%0.02728%0.279CS..BIsolated β-bridgetrans-90147.1-177.4-65.9-96.3000111.5P269 F273 G310 K311 L313 L324 V365 C371 A373P269-W413 HydrophobicContact CG-CZ2 3.99Å; F273-W413 HydrophobicContact CD1-CD2 4.46Å; F273-W413 HydrophobicContact CD1-CE3 4.32Å; F273-W413 HydrophobicContact CE1-CB 4.07Å; F273-W413 AromaticContact CE1-CD2 3.42Å; F273-W413 HydrophobicContact CE1-CD2 3.42Å; F273-W413 VanDerWaalsContact CE1-CD2 3.42Å; F273-W413 AromaticContact CE1-CE2 3.97Å; F273-W413 AromaticContact CE1-CE3 3.59Å; F273-W413 HydrophobicContact CE1-CE3 3.59Å; F273-W413 AromaticContact CE1-CG 3.62Å; F273-W413 HydrophobicContact CE1-CG 3.62Å; F273-W413 HydrophobicContact CE1-CZ3 4.27Å; F273-W413 HydrophobicContact CZ-CB 4.27Å; F273-W413 AromaticContact CZ-CD1 3.88Å; F273-W413 AromaticContact CZ-CD2 3.89Å; F273-W413 HydrophobicContact CZ-CD2 3.89Å; F273-W413 HydrophobicContact CZ-CE3 4.49Å; F273-W413 AromaticContact CZ-CG 3.73Å; F273-W413 HydrophobicContact CZ-CG 3.73Å; G310-W413 CarbonylContact C-O 3.48Å; G310-W413 VanDerWaalsContact CA-O 3.27Å; G310-W413 WeakPolarHBondContact CA-O 3.34Å; K311-W413 HydrophobicContact CB-CB 4.41Å; K311-W413 PolarHBondContact N-O 2.75Å; K311-W413 PolarHBondContact O-N 3.23Å; L313-W413 HydrophobicContact CD1-CH2 4.49Å; L313-W413 HydrophobicContact CG-CZ3 4.5Å; L324-W413 HydrophobicContact CD2-CH2 3.66Å; L324-W413 HydrophobicContact CD2-CZ2 4.42Å; V365-W413 HydrophobicContact CG1-CH2 4.18Å; V365-W413 HydrophobicContact CG1-CZ2 4.37Å; C371-W413 HydrophobicContact CB-CZ2 4.21Å; C371-W413 PolarHBondContact O-NE1 3.18Å; A373-W413 HydrophobicContact CB-CD2 4.1Å; A373-W413 HydrophobicContact CB-CG 4.45Å; A373-W413 HydrophobicContact CB-CZ2 4.14Å
414P93.3Very high87.4Confident51 Ų5149.8 Ų49.833%0.33130%0.295SS..  trans-65.1150.1175.128.2-34.8000111.1K311K311-P414 WeakPolarHBondContact CE-O 3.49Å; K311-P414 PolarHBondContact NZ-O 2.65Å
415V88Confident87.8Confident47 Ų4746.8 Ų46.829%0.28528%0.276SS..  trans-58-60.1-177.4174.80000111Q308 K311Q308-V415 HydrophobicContact CB-CG2 3.88Å; K311-V415 WeakPolarHBondContact CE-O 3.4Å; K311-V415 PolarHBondContact NZ-O 3.08Å
416S70.4Confident88.1Confident169 Ų16942.8 Ų42.8100%1.18227%0.269SS*.  trans-1740169.455.20000107.8

Retrieved 416 of 416 residues in 220.3 ms (Link to these results)

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