A0A077ZLB8_TRITR Loading...

CCHC-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZLB8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 489 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
1M77.7Confident89.3Confident188 Ų18887.3 Ų87.393%0.92644%0.437SS*.  0-47.40-169.8175.5-74.600111.6D3 R4 V5M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 2.9Å; M1-R4 WeakPolarHBondContact O-CB 3.35Å; M1-R4 PolarHBondContact O-N 3.45Å; M1-R4 VanDerWaalsContact O-N 3.09Å; M1-V5 PolarHBondContact O-N 2.94Å; M1-V5 VanDerWaalsContact O-N 3.12Å
2V87.3Confident89.6Confident97 Ų9781.5 Ų81.559%0.58841%0.406SS*.Hα-helixtrans-52.3-47175.5178.20000112.5R4 V5 H6V2-R4 VanDerWaalsContact C-N 3.3Å; V2-R4 PolarHBondContact O-N 2.85Å; V2-V5 WeakPolarHBondContact O-CB 3.32Å; V2-V5 PolarHBondContact O-N 2.79Å; V2-H6 WeakPolarHBondContact CG1-NE2 3.39Å; V2-H6 PolarHBondContact O-CD2 2.71Å; V2-H6 VanDerWaalsContact O-CD2 3.3Å; V2-H6 PolarHBondContact O-N 3.2Å
3D88.3Confident89.5Confident59 Ų5989.3 Ų89.332%0.31643%0.428SS..Hα-helixtrans-60.5-37.9177.9-56.8-76.8000113M1 V5 H6 F7 K31 C32M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 2.9Å; D3-V5 VanDerWaalsContact C-N 3.33Å; D3-V5 PolarHBondContact O-N 3.12Å; D3-H6 PolarHBondContact O-N 3.4Å; D3-F7 WeakPolarHBondContact O-CB 3.47Å; D3-F7 PolarHBondContact O-N 2.89Å; D3-K31 HydrophobicContact CB-CB 4Å; D3-K31 WeakPolarHBondContact CB-O 3.42Å; D3-C32 PolarHBondContact O-SG 3.1Å; D3-C32 VanDerWaalsContact O-SG 3.39Å
4R89.6Confident88.7Confident110 Ų11096.3 Ų96.342%0.41546%0.456SS..Hα-helixtrans-66.3-34.8175.9-67-174.7176.4-171.3-1.6111.9M1 V2 S8 C32 D33 F34M1-R4 WeakPolarHBondContact O-CB 3.35Å; M1-R4 PolarHBondContact O-N 3.45Å; M1-R4 VanDerWaalsContact O-N 3.09Å; V2-R4 VanDerWaalsContact C-N 3.3Å; V2-R4 PolarHBondContact O-N 2.85Å; R4-S8 PolarHBondContact O-N 3.16Å; R4-S8 PolarHBondContact O-OG 3.29Å; R4-S8 VanDerWaalsContact O-OG 3.06Å; R4-C32 HydrophobicContact CG-CB 3.93Å; R4-C32 PolarHBondContact NE-O 2.99Å; R4-C32 PolarHBondContact NH2-O 3.44Å; R4-C32 VanDerWaalsContact NH2-O 3.17Å; R4-D33 PolarHBondContact NH2-O 3.48Å; R4-F34 HydrophobicContact CG-CE1 4.08Å; R4-F34 HydrophobicContact CG-CZ 4.34Å
5V87.8Confident88Confident68 Ų68100.4 Ų100.441%0.41248%0.482SS..Hα-helixtrans-67.8-45.4173.8176.90000110.4M1 V2 D3 F7 S8 M9M1-V5 PolarHBondContact O-N 2.94Å; M1-V5 VanDerWaalsContact O-N 3.12Å; V2-V5 WeakPolarHBondContact O-CB 3.32Å; V2-V5 PolarHBondContact O-N 2.79Å; D3-V5 VanDerWaalsContact C-N 3.33Å; D3-V5 PolarHBondContact O-N 3.12Å; V5-F7 VanDerWaalsContact C-N 3.29Å; V5-F7 PolarHBondContact O-N 2.77Å; V5-S8 PolarHBondContact O-N 2.92Å; V5-M9 HydrophobicContact CG1-CE 3.83Å; V5-M9 HydrophobicContact CG1-CG 4.3Å; V5-M9 HydrophobicContact CG1-SD 3.86Å; V5-M9 WeakPolarHBondContact O-CB 3.43Å; V5-M9 WeakPolarHBondContact O-CG 3.38Å; V5-M9 PolarHBondContact O-N 3.02Å
6H89.4Confident87.9Confident104 Ų10495.9 Ų95.948%0.48146%0.46SS..Hα-helixtrans-60.4-39.6175.4-73.5-55.9000112.6V2 D3 R10 L28V2-H6 WeakPolarHBondContact CG1-NE2 3.39Å; V2-H6 PolarHBondContact O-CD2 2.71Å; V2-H6 VanDerWaalsContact O-CD2 3.3Å; V2-H6 PolarHBondContact O-N 3.2Å; D3-H6 PolarHBondContact O-N 3.4Å; H6-R10 PolarHBondContact O-N 3.2Å; H6-L28 HydrophobicContact CB-CD2 4.34Å
7F93.4Very high87.9Confident4 Ų493.5 Ų93.52%0.01846%0.456CS..Hα-helixtrans-60-51.7172.8175.5-93.7000111.6D3 V5 M9 R10 L25 L28 A29 F34 R41 L42 Q45D3-F7 WeakPolarHBondContact O-CB 3.47Å; D3-F7 PolarHBondContact O-N 2.89Å; V5-F7 VanDerWaalsContact C-N 3.29Å; V5-F7 PolarHBondContact O-N 2.77Å; F7-M9 VanDerWaalsContact C-N 3.32Å; F7-M9 PolarHBondContact O-N 2.99Å; F7-R10 VanDerWaalsContact O-CB 3.31Å; F7-R10 WeakPolarHBondContact O-CB 3.5Å; F7-R10 PolarHBondContact O-N 2.95Å; F7-R10 VanDerWaalsContact O-N 3.16Å; F7-L25 HydrophobicContact CD2-CD2 4.16Å; F7-L25 HydrophobicContact CE2-CB 4.36Å; F7-L25 HydrophobicContact CE2-CD2 3.98Å; F7-L28 HydrophobicContact CB-CB 4.38Å; F7-L28 HydrophobicContact CD2-CB 4.2Å; F7-A29 HydrophobicContact CD2-CB 4.05Å; F7-A29 HydrophobicContact CE2-CB 3.85Å; F7-F34 HydrophobicContact CD1-CE2 4.04Å; F7-F34 AromaticContact CD1-CZ 3.65Å; F7-F34 HydrophobicContact CD1-CZ 3.65Å; F7-F34 HydrophobicContact CD2-CE2 4.09Å; F7-F34 HydrophobicContact CD2-CZ 4.47Å; F7-F34 HydrophobicContact CE1-CE2 4.06Å; F7-F34 AromaticContact CE1-CZ 3.88Å; F7-F34 HydrophobicContact CE1-CZ 3.88Å; F7-F34 HydrophobicContact CE2-CE2 4.12Å; F7-F34 HydrophobicContact CG-CE2 4.05Å; F7-F34 AromaticContact CG-CZ 3.97Å; F7-F34 HydrophobicContact CG-CZ 3.97Å; F7-F34 HydrophobicContact CZ-CE2 4.09Å; F7-F34 HydrophobicContact CZ-CZ 4.38Å; F7-R41 HydrophobicContact CE1-CB 4.41Å; F7-R41 HydrophobicContact CZ-CB 4.4Å; F7-R41 WeakPolarHBondContact CZ-O 3.17Å; F7-L42 HydrophobicContact CE2-CD2 3.93Å; F7-L42 HydrophobicContact CZ-CD2 4.39Å; F7-Q45 HydrophobicContact CD1-CG 4.28Å; F7-Q45 HydrophobicContact CE1-CB 3.61Å; F7-Q45 HydrophobicContact CE1-CG 3.73Å; F7-Q45 HydrophobicContact CE2-CB 4.29Å; F7-Q45 HydrophobicContact CE2-CG 4.22Å; F7-Q45 HydrophobicContact CZ-CB 3.42Å; F7-Q45 VanDerWaalsContact CZ-CB 3.42Å; F7-Q45 HydrophobicContact CZ-CG 3.7Å; F7-Q45 PolarHBondContact O-NE2 3.42Å
8S90.8Very high87.9Confident60 Ų6088.8 Ų88.842%0.4243%0.433SS..Hα-helixtrans-66.6-30.3-178.6-61.10000113.6R4 V5 R10 Q45R4-S8 PolarHBondContact O-N 3.16Å; R4-S8 PolarHBondContact O-OG 3.29Å; R4-S8 VanDerWaalsContact O-OG 3.06Å; V5-S8 PolarHBondContact O-N 2.92Å; S8-R10 VanDerWaalsContact C-N 3.26Å; S8-R10 PolarHBondContact O-N 3.14Å; S8-Q45 PolarHBondContact O-NE2 3.47Å
9M91.3Very high87.9Confident133 Ų13388.2 Ų88.266%0.65543%0.43SS*.THydrogen-bonded Turntrans-83.82.6177.3-70.4-174.6172.600113.5V5 F7 F11V5-M9 HydrophobicContact CG1-CE 3.83Å; V5-M9 HydrophobicContact CG1-CG 4.3Å; V5-M9 HydrophobicContact CG1-SD 3.86Å; V5-M9 WeakPolarHBondContact O-CB 3.43Å; V5-M9 WeakPolarHBondContact O-CG 3.38Å; V5-M9 PolarHBondContact O-N 3.02Å; F7-M9 VanDerWaalsContact C-N 3.32Å; F7-M9 PolarHBondContact O-N 2.99Å; M9-F11 WeakPolarHBondContact O-CD2 3.36Å; M9-F11 PolarHBondContact O-N 2.92Å
10R93.4Very high88.1Confident38 Ų3889.2 Ų89.214%0.14343%0.434CS..  trans-83.4106.6-179.4-175.548.1169.3106.35.7110.6H6 F7 S8 E16 F21 A24 L25 L28 Q45H6-R10 PolarHBondContact O-N 3.2Å; F7-R10 VanDerWaalsContact O-CB 3.31Å; F7-R10 WeakPolarHBondContact O-CB 3.5Å; F7-R10 PolarHBondContact O-N 2.95Å; F7-R10 VanDerWaalsContact O-N 3.16Å; S8-R10 VanDerWaalsContact C-N 3.26Å; S8-R10 PolarHBondContact O-N 3.14Å; R10-E16 IonicContact CZ-OE1 3.21Å; R10-E16 IonicContact CZ-OE2 3.81Å; R10-E16 IonicContact NH1-OE1 2.92Å; R10-E16 IonicContact NH1-OE2 3.38Å; R10-E16 PolarHBondContact NH1-OE2 2.8Å; R10-E16 IonicContact NH2-OE1 2.88Å; R10-E16 PolarHBondContact NH2-OE1 2.67Å; R10-E16 IonicContact NH2-OE2 3.76Å; R10-E16 PolarHBondContact NH2-OE2 2.97Å; R10-F21 HydrophobicContact CG-CD2 4.42Å; R10-F21 HydrophobicContact CG-CE2 4.03Å; R10-F21 WeakPolarHBondContact O-CE2 3.49Å; R10-A24 VanDerWaalsContact NH2-CB 3.29Å; R10-L25 HydrophobicContact CB-CD2 3.72Å; R10-L25 HydrophobicContact CG-CD2 3.66Å; R10-L25 HydrophobicContact CG-CG 4.34Å; R10-L28 HydrophobicContact CB-CD1 3.85Å; R10-L28 HydrophobicContact CG-CD1 3.88Å; R10-Q45 PolarHBondContact O-NE2 3.5Å
11F93.5Very high88.3Confident99 Ų9984.9 Ų84.943%0.43441%0.413SS..  trans-108.9143.1172.3-63.9-88.5000111.1M9 R13 I48 G49M9-F11 WeakPolarHBondContact O-CD2 3.36Å; M9-F11 PolarHBondContact O-N 2.92Å; F11-R13 PolarHBondContact O-N 3.22Å; F11-I48 HydrophobicContact CE1-CG2 4.36Å; F11-G49 CarbonylContact C-O 3.59Å; F11-G49 VanDerWaalsContact CA-O 3.32Å; F11-G49 WeakPolarHBondContact CA-O 3.38Å
12R92.9Very high89Confident18 Ų1876.2 Ų76.27%0.06837%0.371CS..  trans-56.6130.9174.7-169-173.6100.9-132.311.1110.1E16 F21 G49 W55 E84R12-E16 HydrophobicContact CG-CB 4.43Å; R12-F21 HydrophobicContact CB-CB 4.19Å; R12-F21 HydrophobicContact CB-CD1 4.03Å; R12-F21 HydrophobicContact CB-CD2 3.9Å; R12-F21 HydrophobicContact CB-CE1 4.39Å; R12-F21 HydrophobicContact CB-CE2 4.27Å; R12-F21 HydrophobicContact CB-CG 3.76Å; R12-F21 HydrophobicContact CG-CB 3.83Å; R12-F21 HydrophobicContact CG-CD1 4.33Å; R12-F21 HydrophobicContact CG-CD2 4.46Å; R12-F21 HydrophobicContact CG-CG 3.97Å; R12-G49 PolarHBondContact N-O 3.1Å; R12-W55 VanDerWaalsContact CZ-CH2 3.47Å; R12-E84 IonicContact NH2-OE2 2.81Å
13R88.6Confident89.2Confident183 Ų18375.5 Ų75.569%0.69136%0.364SS*.  trans-78.9154173.1-61.1176.4179.5171.7-0.4110.1F11 N15 E16F11-R13 PolarHBondContact O-N 3.22Å; R13-N15 VanDerWaalsContact C-N 3.25Å; R13-N15 PolarHBondContact O-N 3.4Å; R13-E16 HydrophobicContact CB-CB 3.9Å; R13-E16 PolarHBondContact N-OE2 3.01Å; R13-E16 WeakPolarHBondContact O-CB 3.18Å; R13-E16 PolarHBondContact O-N 2.67Å; R13-E16 VanDerWaalsContact O-N 3.11Å
14K77.3Confident89.4Confident187 Ų18774.2 Ų74.281%0.81336%0.361SS*.THydrogen-bonded Turntrans-57.8-36.6-178.7-169.7175.4179.7178.90113.3E16K14-E16 VanDerWaalsContact C-N 3.34Å
15N79.4Confident89.7Confident158 Ų15869 Ų6985%0.84534%0.342SS*.THydrogen-bonded Turntrans-95.313.1-177.7-58.6-7.2000113.2R13R13-N15 VanDerWaalsContact C-N 3.25Å; R13-N15 PolarHBondContact O-N 3.4Å
16E86.3Confident89.9Confident29 Ų2970.8 Ų70.814%0.13634%0.341CS..SBendtrans-108.6132.3-176.2176.9176.8-141.600110R10 R12 R13 K14 Q20 F21R10-E16 IonicContact CZ-OE1 3.21Å; R10-E16 IonicContact CZ-OE2 3.81Å; R10-E16 IonicContact NH1-OE1 2.92Å; R10-E16 IonicContact NH1-OE2 3.38Å; R10-E16 PolarHBondContact NH1-OE2 2.8Å; R10-E16 IonicContact NH2-OE1 2.88Å; R10-E16 PolarHBondContact NH2-OE1 2.67Å; R10-E16 IonicContact NH2-OE2 3.76Å; R10-E16 PolarHBondContact NH2-OE2 2.97Å; R12-E16 HydrophobicContact CG-CB 4.43Å; R13-E16 HydrophobicContact CB-CB 3.9Å; R13-E16 PolarHBondContact N-OE2 3.01Å; R13-E16 WeakPolarHBondContact O-CB 3.18Å; R13-E16 PolarHBondContact O-N 2.67Å; R13-E16 VanDerWaalsContact O-N 3.11Å; K14-E16 VanDerWaalsContact C-N 3.34Å; E16-Q20 HydrophobicContact CG-CB 3.59Å; E16-F21 HydrophobicContact CG-CB 4.15Å; E16-F21 WeakPolarHBondContact OE1-CA 3.27Å; E16-F21 PolarHBondContact OE1-N 3.34Å
17S86.6Confident90Very high55 Ų5568.1 Ų68.139%0.38534%0.342SS..  trans-70155.8174.875.70000111.2M19 Q20 F21S17-M19 PolarHBondContact O-N 3.26Å; S17-Q20 PolarHBondContact O-N 3.21Å; S17-Q20 VanDerWaalsContact O-N 3.12Å; S17-Q20 VanDerWaalsContact OG-CG 3.32Å; S17-Q20 WeakPolarHBondContact OG-CG 3.5Å; S17-Q20 PolarHBondContact OG-N 3.18Å; S17-Q20 VanDerWaalsContact OG-N 3.14Å; S17-F21 PolarHBondContact O-N 3.33Å
18V88.8Confident89.9Confident9 Ų970.2 Ų70.26%0.05535%0.353CS..Hα-helixtrans-55.4-43.8175.41750000110.8Q20 F21 V22 W55 A77V18-Q20 PolarHBondContact O-N 3.14Å; V18-F21 WeakPolarHBondContact O-CB 3.49Å; V18-F21 PolarHBondContact O-N 3.25Å; V18-V22 HydrophobicContact CG1-CG2 4.15Å; V18-V22 WeakPolarHBondContact O-CB 3.41Å; V18-V22 VanDerWaalsContact O-CG2 3.24Å; V18-V22 WeakPolarHBondContact O-CG2 3.24Å; V18-V22 PolarHBondContact O-N 2.74Å; V18-W55 HydrophobicContact CG2-CH2 4.38Å; V18-W55 HydrophobicContact CG2-CZ3 3.66Å; V18-A77 HydrophobicContact CG1-CB 3.66Å; V18-A77 HydrophobicContact CG2-CB 4.38Å
19M88.4Confident90Very high77 Ų7767.6 Ų67.638%0.37934%0.335SS..Hα-helixtrans-58.2-45.1175.8-178.8-164.6-79.800113S17 F21 V22 N23 D174S17-M19 PolarHBondContact O-N 3.26Å; M19-F21 VanDerWaalsContact C-N 3.31Å; M19-F21 PolarHBondContact O-N 2.86Å; M19-V22 PolarHBondContact O-N 2.89Å; M19-N23 WeakPolarHBondContact O-CB 3.46Å; M19-N23 VanDerWaalsContact O-CG 3.26Å; M19-N23 PolarHBondContact O-N 2.98Å; M19-N23 PolarHBondContact O-ND2 3.25Å; M19-D174 WeakPolarHBondContact CE-OD1 3.27Å
20Q90.6Very high89.8Confident107 Ų10764.4 Ų64.450%0.534%0.336SS..Hα-helixtrans-62.4-42177.6-77170.9-28.500111.4E16 S17 V18 N23 A24E16-Q20 HydrophobicContact CG-CB 3.59Å; S17-Q20 PolarHBondContact O-N 3.21Å; S17-Q20 VanDerWaalsContact O-N 3.12Å; S17-Q20 VanDerWaalsContact OG-CG 3.32Å; S17-Q20 WeakPolarHBondContact OG-CG 3.5Å; S17-Q20 PolarHBondContact OG-N 3.18Å; S17-Q20 VanDerWaalsContact OG-N 3.14Å; V18-Q20 PolarHBondContact O-N 3.14Å; Q20-N23 PolarHBondContact O-N 2.8Å; Q20-A24 WeakPolarHBondContact O-CB 3.34Å; Q20-A24 PolarHBondContact O-N 2.68Å
21F93.9Very high89.6Confident0 Ų069 Ų690%036%0.357CS..Hα-helixtrans-64.2-46.8177.3165.7-115.5000112.5R10 R12 E16 S17 V18 M19 N23 A24 L25 I50R10-F21 HydrophobicContact CG-CD2 4.42Å; R10-F21 HydrophobicContact CG-CE2 4.03Å; R10-F21 WeakPolarHBondContact O-CE2 3.49Å; R12-F21 HydrophobicContact CB-CB 4.19Å; R12-F21 HydrophobicContact CB-CD1 4.03Å; R12-F21 HydrophobicContact CB-CD2 3.9Å; R12-F21 HydrophobicContact CB-CE1 4.39Å; R12-F21 HydrophobicContact CB-CE2 4.27Å; R12-F21 HydrophobicContact CB-CG 3.76Å; R12-F21 HydrophobicContact CG-CB 3.83Å; R12-F21 HydrophobicContact CG-CD1 4.33Å; R12-F21 HydrophobicContact CG-CD2 4.46Å; R12-F21 HydrophobicContact CG-CG 3.97Å; E16-F21 HydrophobicContact CG-CB 4.15Å; E16-F21 WeakPolarHBondContact OE1-CA 3.27Å; E16-F21 PolarHBondContact OE1-N 3.34Å; S17-F21 PolarHBondContact O-N 3.33Å; V18-F21 WeakPolarHBondContact O-CB 3.49Å; V18-F21 PolarHBondContact O-N 3.25Å; M19-F21 VanDerWaalsContact C-N 3.31Å; M19-F21 PolarHBondContact O-N 2.86Å; F21-N23 VanDerWaalsContact C-N 3.34Å; F21-N23 PolarHBondContact O-N 2.93Å; F21-A24 WeakPolarHBondContact O-CB 3.34Å; F21-A24 PolarHBondContact O-N 2.89Å; F21-L25 HydrophobicContact CD1-CD1 4.41Å; F21-L25 HydrophobicContact CD2-CG 4.38Å; F21-L25 HydrophobicContact CE1-CD1 3.77Å; F21-L25 HydrophobicContact CE2-CD1 3.89Å; F21-L25 HydrophobicContact CE2-CD2 4.24Å; F21-L25 HydrophobicContact CE2-CG 3.92Å; F21-L25 HydrophobicContact CZ-CD1 3.46Å; F21-L25 VanDerWaalsContact CZ-CD1 3.46Å; F21-L25 HydrophobicContact CZ-CD2 4.45Å; F21-L25 HydrophobicContact CZ-CG 4.03Å; F21-L25 PolarHBondContact O-N 2.79Å; F21-I50 HydrophobicContact CE1-CG1 4.45Å
22V92.4Very high89.3Confident6 Ų664.5 Ų64.54%0.03634%0.338CS..Hα-helixtrans-59.5-44.3175.4168.80000111V18 M19 A24 L25 R26 V46 E74V18-V22 HydrophobicContact CG1-CG2 4.15Å; V18-V22 WeakPolarHBondContact O-CB 3.41Å; V18-V22 VanDerWaalsContact O-CG2 3.24Å; V18-V22 WeakPolarHBondContact O-CG2 3.24Å; V18-V22 PolarHBondContact O-N 2.74Å; M19-V22 PolarHBondContact O-N 2.89Å; V22-A24 VanDerWaalsContact C-N 3.32Å; V22-A24 PolarHBondContact O-N 3.41Å; V22-L25 WeakPolarHBondContact O-CB 3.37Å; V22-L25 PolarHBondContact O-N 2.97Å; V22-R26 VanDerWaalsContact CG1-CZ 3.48Å; V22-R26 WeakPolarHBondContact O-CG 2.9Å; V22-R26 PolarHBondContact O-N 2.8Å; V22-V46 HydrophobicContact CG2-CG2 3.88Å; V22-E74 HydrophobicContact CG1-CG 4.12Å; V22-E74 WeakPolarHBondContact CG1-OE1 3.4Å; V22-E74 HydrophobicContact CG2-CG 3.98Å
23N91.3Very high89.2Confident81 Ų8170.3 Ų70.343%0.43337%0.37SS..Hα-helixtrans-64.1-37.9177.1-73.1-22000112.2M19 Q20 F21 R26 G27M19-N23 WeakPolarHBondContact O-CB 3.46Å; M19-N23 VanDerWaalsContact O-CG 3.26Å; M19-N23 PolarHBondContact O-N 2.98Å; M19-N23 PolarHBondContact O-ND2 3.25Å; Q20-N23 PolarHBondContact O-N 2.8Å; F21-N23 VanDerWaalsContact C-N 3.34Å; F21-N23 PolarHBondContact O-N 2.93Å; N23-R26 PolarHBondContact O-N 2.98Å; N23-R26 PolarHBondContact OD1-NH1 2.9Å; N23-G27 PolarHBondContact O-N 3.46Å
24A92.1Very high89.2Confident33 Ų3362.6 Ų62.627%0.27334%0.341SS..Hα-helixtrans-64.8-39.6173.200000112R10 Q20 F21 V22 G27 L28R10-A24 VanDerWaalsContact NH2-CB 3.29Å; Q20-A24 WeakPolarHBondContact O-CB 3.34Å; Q20-A24 PolarHBondContact O-N 2.68Å; F21-A24 WeakPolarHBondContact O-CB 3.34Å; F21-A24 PolarHBondContact O-N 2.89Å; V22-A24 VanDerWaalsContact C-N 3.32Å; V22-A24 PolarHBondContact O-N 3.41Å; A24-G27 PolarHBondContact O-N 3.41Å; A24-L28 WeakPolarHBondContact O-CG 3.34Å; A24-L28 PolarHBondContact O-N 3.32Å; A24-L28 VanDerWaalsContact O-N 3.09Å
25L94.5Very high89.8Confident0 Ų056.5 Ų56.50%033%0.332CS..Hα-helixtrans-62.6-45.4173.8-75.4178.9000112F7 R10 F21 V22 G27 L28 A29 L42 Q45 V46F7-L25 HydrophobicContact CD2-CD2 4.16Å; F7-L25 HydrophobicContact CE2-CB 4.36Å; F7-L25 HydrophobicContact CE2-CD2 3.98Å; R10-L25 HydrophobicContact CB-CD2 3.72Å; R10-L25 HydrophobicContact CG-CD2 3.66Å; R10-L25 HydrophobicContact CG-CG 4.34Å; F21-L25 HydrophobicContact CD1-CD1 4.41Å; F21-L25 HydrophobicContact CD2-CG 4.38Å; F21-L25 HydrophobicContact CE1-CD1 3.77Å; F21-L25 HydrophobicContact CE2-CD1 3.89Å; F21-L25 HydrophobicContact CE2-CD2 4.24Å; F21-L25 HydrophobicContact CE2-CG 3.92Å; F21-L25 HydrophobicContact CZ-CD1 3.46Å; F21-L25 VanDerWaalsContact CZ-CD1 3.46Å; F21-L25 HydrophobicContact CZ-CD2 4.45Å; F21-L25 HydrophobicContact CZ-CG 4.03Å; F21-L25 PolarHBondContact O-N 2.79Å; V22-L25 WeakPolarHBondContact O-CB 3.37Å; V22-L25 PolarHBondContact O-N 2.97Å; L25-G27 VanDerWaalsContact C-N 3.29Å; L25-G27 PolarHBondContact O-N 2.86Å; L25-L28 PolarHBondContact O-N 2.85Å; L25-L28 VanDerWaalsContact O-N 3.17Å; L25-A29 VanDerWaalsContact O-CB 3.28Å; L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 3.33Å; L25-L42 HydrophobicContact CB-CD2 3.89Å; L25-Q45 HydrophobicContact CD1-CB 4.25Å; L25-Q45 HydrophobicContact CD1-CG 3.99Å; L25-Q45 HydrophobicContact CD2-CB 4.43Å; L25-Q45 HydrophobicContact CD2-CG 3.49Å; L25-Q45 VanDerWaalsContact CD2-CG 3.49Å; L25-Q45 HydrophobicContact CG-CG 4.4Å; L25-V46 HydrophobicContact CD1-CG2 3.83Å
26R93.5Very high90.2Very high105 Ų10557.4 Ų57.440%0.39634%0.337SS..Hα-helixtrans-57.9-41.9175.7-71.6175.3-177.9150.3-3.3111.6V22 N23 L28 A29 G30 L42 E74V22-R26 VanDerWaalsContact CG1-CZ 3.48Å; V22-R26 WeakPolarHBondContact O-CG 2.9Å; V22-R26 PolarHBondContact O-N 2.8Å; N23-R26 PolarHBondContact O-N 2.98Å; N23-R26 PolarHBondContact OD1-NH1 2.9Å; R26-L28 PolarHBondContact O-N 3.24Å; R26-A29 PolarHBondContact O-N 2.82Å; R26-G30 PolarHBondContact O-N 2.84Å; R26-G30 VanDerWaalsContact O-N 3.11Å; R26-L42 HydrophobicContact CG-CD1 4.22Å; R26-L42 HydrophobicContact CG-CD2 4.21Å; R26-E74 IonicContact CZ-OE1 3.87Å; R26-E74 IonicContact CZ-OE2 2.75Å; R26-E74 IonicContact NE-OE1 2.85Å; R26-E74 IonicContact NH2-OE1 3.88Å; R26-E74 PolarHBondContact NH2-OE1 2.76Å; R26-E74 IonicContact NH2-OE2 3.62Å; R26-E74 PolarHBondContact NH2-OE2 3.44Å
27G91.1Very high90.4Very high48 Ų4857.5 Ų57.550%0.49534%0.342SS..Hα-helixtrans-63.4-37.8175.800000114N23 A24 L25N23-G27 PolarHBondContact O-N 3.46Å; A24-G27 PolarHBondContact O-N 3.41Å; L25-G27 VanDerWaalsContact C-N 3.29Å; L25-G27 PolarHBondContact O-N 2.86Å
28L92Very high90.6Very high49 Ų4958.1 Ų58.126%0.25734%0.341SS..Hα-helixtrans-73.5-41.9175-69.6171.1000111.9H6 F7 R10 A24 L25 R26 G30 K31 C32H6-L28 HydrophobicContact CB-CD2 4.34Å; F7-L28 HydrophobicContact CB-CB 4.38Å; F7-L28 HydrophobicContact CD2-CB 4.2Å; R10-L28 HydrophobicContact CB-CD1 3.85Å; R10-L28 HydrophobicContact CG-CD1 3.88Å; A24-L28 WeakPolarHBondContact O-CG 3.34Å; A24-L28 PolarHBondContact O-N 3.32Å; A24-L28 VanDerWaalsContact O-N 3.09Å; L25-L28 PolarHBondContact O-N 2.85Å; L25-L28 VanDerWaalsContact O-N 3.17Å; R26-L28 PolarHBondContact O-N 3.24Å; L28-G30 PolarHBondContact O-N 3.25Å; L28-K31 PolarHBondContact O-N 3Å; L28-K31 VanDerWaalsContact O-N 3.08Å; L28-C32 PolarHBondContact O-SG 2.8Å
29A92.1Very high90.7Very high4 Ų461.1 Ų61.13%0.03336%0.362CS..Hα-helixtrans-62.7-31.5-17900000112.6F7 L25 R26 K31 C32 F34 L38 L42F7-A29 HydrophobicContact CD2-CB 4.05Å; F7-A29 HydrophobicContact CE2-CB 3.85Å; L25-A29 VanDerWaalsContact O-CB 3.28Å; L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 3.33Å; R26-A29 PolarHBondContact O-N 2.82Å; A29-K31 PolarHBondContact O-N 2.79Å; A29-K31 VanDerWaalsContact O-N 3.09Å; A29-C32 WeakPolarHBondContact O-CB 3.43Å; A29-C32 PolarHBondContact O-N 2.85Å; A29-F34 HydrophobicContact CB-CD2 4.01Å; A29-F34 HydrophobicContact CB-CE2 3.91Å; A29-L38 HydrophobicContact CB-CD1 3.65Å; A29-L42 HydrophobicContact CB-CD2 3.91Å; A29-L42 HydrophobicContact CB-CG 4.28Å
30G87.8Confident90.9Very high66 Ų6662.9 Ų62.968%0.6837%0.37SS*.THydrogen-bonded Turntrans-59.6-16174.100000114.8R26 L28R26-G30 PolarHBondContact O-N 2.84Å; R26-G30 VanDerWaalsContact O-N 3.11Å; L28-G30 PolarHBondContact O-N 3.25Å
31K88.7Confident91Very high136 Ų13663.7 Ų63.759%0.59137%0.368SS*.THydrogen-bonded Turntrans-105.84.1177.2-56.4-178.5-177.9-177.20113.7D3 L28 A29D3-K31 HydrophobicContact CB-CB 4Å; D3-K31 WeakPolarHBondContact CB-O 3.42Å; L28-K31 PolarHBondContact O-N 3Å; L28-K31 VanDerWaalsContact O-N 3.08Å; A29-K31 PolarHBondContact O-N 2.79Å; A29-K31 VanDerWaalsContact O-N 3.09Å
32C87.9Confident91Very high4 Ų464.2 Ų64.23%0.02737%0.371CS..SBendtrans-102.7-3.8-167.9-710000114.9D3 R4 L28 A29 F34D3-C32 PolarHBondContact O-SG 3.1Å; D3-C32 VanDerWaalsContact O-SG 3.39Å; R4-C32 HydrophobicContact CG-CB 3.93Å; R4-C32 PolarHBondContact NE-O 2.99Å; R4-C32 PolarHBondContact NH2-O 3.44Å; R4-C32 VanDerWaalsContact NH2-O 3.17Å; L28-C32 PolarHBondContact O-SG 2.8Å; A29-C32 WeakPolarHBondContact O-CB 3.43Å; A29-C32 PolarHBondContact O-N 2.85Å; C32-F34 VanDerWaalsContact C-N 3.35Å; C32-F34 HydrophobicContact CB-CD1 4.14Å; C32-F34 HydrophobicContact CB-CD2 3.55Å; C32-F34 HydrophobicContact CB-CE1 3.84Å; C32-F34 HydrophobicContact CB-CE2 3.22Å; C32-F34 HydrophobicContact CB-CG 4.01Å; C32-F34 HydrophobicContact CB-CZ 3.37Å; C32-F34 PolarHBondContact O-N 2.86Å
33D89.7Confident91.1Very high139 Ų13965 Ų6574%0.74337%0.373SS*.  trans4852-176.5-57.8-38000112.8R4 G35R4-D33 PolarHBondContact NH2-O 3.48Å; D33-G35 VanDerWaalsContact C-N 3.32Å
34F89.3Confident91.2Very high21 Ų2164.1 Ų64.19%0.09237%0.368CS..  trans-77.3-15.7-179.4-69.1-49.9000114R4 F7 A29 C32 N36 A37 L38 R41R4-F34 HydrophobicContact CG-CE1 4.08Å; R4-F34 HydrophobicContact CG-CZ 4.34Å; F7-F34 HydrophobicContact CD1-CE2 4.04Å; F7-F34 AromaticContact CD1-CZ 3.65Å; F7-F34 HydrophobicContact CD1-CZ 3.65Å; F7-F34 HydrophobicContact CD2-CE2 4.09Å; F7-F34 HydrophobicContact CD2-CZ 4.47Å; F7-F34 HydrophobicContact CE1-CE2 4.06Å; F7-F34 AromaticContact CE1-CZ 3.88Å; F7-F34 HydrophobicContact CE1-CZ 3.88Å; F7-F34 HydrophobicContact CE2-CE2 4.12Å; F7-F34 HydrophobicContact CG-CE2 4.05Å; F7-F34 AromaticContact CG-CZ 3.97Å; F7-F34 HydrophobicContact CG-CZ 3.97Å; F7-F34 HydrophobicContact CZ-CE2 4.09Å; F7-F34 HydrophobicContact CZ-CZ 4.38Å; A29-F34 HydrophobicContact CB-CD2 4.01Å; A29-F34 HydrophobicContact CB-CE2 3.91Å; C32-F34 VanDerWaalsContact C-N 3.35Å; C32-F34 HydrophobicContact CB-CD1 4.14Å; C32-F34 HydrophobicContact CB-CD2 3.55Å; C32-F34 HydrophobicContact CB-CE1 3.84Å; C32-F34 HydrophobicContact CB-CE2 3.22Å; C32-F34 HydrophobicContact CB-CG 4.01Å; C32-F34 HydrophobicContact CB-CZ 3.37Å; C32-F34 PolarHBondContact O-N 2.86Å; F34-N36 PolarHBondContact O-N 2.86Å; F34-A37 PolarHBondContact O-N 2.83Å; F34-A37 VanDerWaalsContact O-N 3.13Å; F34-L38 HydrophobicContact CB-CB 4.15Å; F34-L38 HydrophobicContact CB-CD1 4.31Å; F34-L38 HydrophobicContact CD2-CD1 3.93Å; F34-R41 HydrophobicContact CD1-CB 4.41Å; F34-R41 HydrophobicContact CD1-CG 3.93Å; F34-R41 HydrophobicContact CD2-CB 4.3Å; F34-R41 HydrophobicContact CE1-CB 4.46Å; F34-R41 HydrophobicContact CE1-CG 4.14Å; F34-R41 HydrophobicContact CE2-CB 4.32Å; F34-R41 HydrophobicContact CG-CB 4.34Å; F34-R41 HydrophobicContact CG-CG 4.21Å; F34-R41 HydrophobicContact CZ-CB 4.42Å
35G89.4Confident91.3Very high59 Ų5963 Ų6361%0.60836%0.358SS*.G310 helixtrans53.5-132.5-17900000112.3D33 A37 L38D33-G35 VanDerWaalsContact C-N 3.32Å; G35-A37 PolarHBondContact O-N 2.93Å; G35-A37 VanDerWaalsContact O-N 3.16Å; G35-L38 WeakPolarHBondContact O-CB 3.27Å; G35-L38 PolarHBondContact O-N 3.29Å
36N88.3Confident91.3Very high178 Ų17863 Ų6395%0.95236%0.358SS*.G310 helixtrans-64.7-17.8-178.5-62.3-14.1000113.8F34 L38F34-N36 PolarHBondContact O-N 2.86Å; N36-L38 VanDerWaalsContact C-N 3.33Å
37A89.9Confident91.3Very high30 Ų3059.1 Ų59.125%0.24835%0.346CS..G310 helixtrans-87.82.8179.600000113.5F34 G35 S39 E40 R41F34-A37 PolarHBondContact O-N 2.83Å; F34-A37 VanDerWaalsContact O-N 3.13Å; G35-A37 PolarHBondContact O-N 2.93Å; G35-A37 VanDerWaalsContact O-N 3.16Å; A37-S39 VanDerWaalsContact C-N 3.35Å; A37-S39 PolarHBondContact O-N 2.82Å; A37-E40 PolarHBondContact O-N 3.19Å; A37-R41 HydrophobicContact CB-CG 4.36Å; A37-R41 WeakPolarHBondContact O-CB 3.37Å; A37-R41 VanDerWaalsContact O-CG 3.29Å; A37-R41 WeakPolarHBondContact O-CG 3.45Å; A37-R41 PolarHBondContact O-N 3.15Å
38L91.5Very high91.4Very high68 Ų6861 Ų6136%0.35634%0.343SS..Hα-helixtrans-53.2-49-175.8175.961.5000112.7A29 F34 G35 N36 R41 L42A29-L38 HydrophobicContact CB-CD1 3.65Å; F34-L38 HydrophobicContact CB-CB 4.15Å; F34-L38 HydrophobicContact CB-CD1 4.31Å; F34-L38 HydrophobicContact CD2-CD1 3.93Å; G35-L38 WeakPolarHBondContact O-CB 3.27Å; G35-L38 PolarHBondContact O-N 3.29Å; N36-L38 VanDerWaalsContact C-N 3.33Å; L38-R41 PolarHBondContact O-N 2.92Å; L38-L42 HydrophobicContact CD1-CD1 3.82Å; L38-L42 HydrophobicContact CD1-CG 4.2Å; L38-L42 HydrophobicContact CG-CD1 3.99Å; L38-L42 WeakPolarHBondContact O-CB 3.36Å; L38-L42 WeakPolarHBondContact O-CG 3.12Å; L38-L42 PolarHBondContact O-N 2.79Å
39S90Very high91.4Very high73 Ų7358.7 Ų58.751%0.5133%0.331SS..Hα-helixtrans-65.2-40.7-178-59.20000112.5A37 R43A37-S39 VanDerWaalsContact C-N 3.35Å; A37-S39 PolarHBondContact O-N 2.82Å; S39-R43 WeakPolarHBondContact O-CB 3.4Å; S39-R43 PolarHBondContact O-N 2.94Å
40E92.1Very high91.2Very high114 Ų11458.5 Ų58.553%0.53333%0.33SS..Hα-helixtrans-66.3-46.5177.5-64.1-179.2163.800111.1A37 L42 R43 D44A37-E40 PolarHBondContact O-N 3.19Å; E40-L42 PolarHBondContact O-N 3.48Å; E40-R43 WeakPolarHBondContact O-CB 3.41Å; E40-R43 PolarHBondContact O-N 2.92Å; E40-D44 PolarHBondContact O-N 3.37Å
41R93.5Very high91Very high124 Ų12461.3 Ų61.347%0.46833%0.329SS..Hα-helixtrans-62.5-41.9178.7-69.1-66.3-173.9138.3-1.7112.2F7 F34 A37 L38 Q45F7-R41 HydrophobicContact CE1-CB 4.41Å; F7-R41 HydrophobicContact CZ-CB 4.4Å; F7-R41 WeakPolarHBondContact CZ-O 3.17Å; F34-R41 HydrophobicContact CD1-CB 4.41Å; F34-R41 HydrophobicContact CD1-CG 3.93Å; F34-R41 HydrophobicContact CD2-CB 4.3Å; F34-R41 HydrophobicContact CE1-CB 4.46Å; F34-R41 HydrophobicContact CE1-CG 4.14Å; F34-R41 HydrophobicContact CE2-CB 4.32Å; F34-R41 HydrophobicContact CG-CB 4.34Å; F34-R41 HydrophobicContact CG-CG 4.21Å; F34-R41 HydrophobicContact CZ-CB 4.42Å; A37-R41 HydrophobicContact CB-CG 4.36Å; A37-R41 WeakPolarHBondContact O-CB 3.37Å; A37-R41 VanDerWaalsContact O-CG 3.29Å; A37-R41 WeakPolarHBondContact O-CG 3.45Å; A37-R41 PolarHBondContact O-N 3.15Å; L38-R41 PolarHBondContact O-N 2.92Å; R41-Q45 VanDerWaalsContact O-CB 3.25Å; R41-Q45 WeakPolarHBondContact O-CB 3.23Å; R41-Q45 PolarHBondContact O-N 3.34Å
42L94Very high90.9Very high10 Ų1056.1 Ų56.15%0.05231%0.308CS..Hα-helixtrans-62-46174.3-79.7168.1000111.2F7 L25 R26 A29 L38 E40 D44 Q45 V46 L70F7-L42 HydrophobicContact CE2-CD2 3.93Å; F7-L42 HydrophobicContact CZ-CD2 4.39Å; L25-L42 HydrophobicContact CB-CD2 3.89Å; R26-L42 HydrophobicContact CG-CD1 4.22Å; R26-L42 HydrophobicContact CG-CD2 4.21Å; A29-L42 HydrophobicContact CB-CD2 3.91Å; A29-L42 HydrophobicContact CB-CG 4.28Å; L38-L42 HydrophobicContact CD1-CD1 3.82Å; L38-L42 HydrophobicContact CD1-CG 4.2Å; L38-L42 HydrophobicContact CG-CD1 3.99Å; L38-L42 WeakPolarHBondContact O-CB 3.36Å; L38-L42 WeakPolarHBondContact O-CG 3.12Å; L38-L42 PolarHBondContact O-N 2.79Å; E40-L42 PolarHBondContact O-N 3.48Å; L42-D44 PolarHBondContact O-N 3.1Å; L42-Q45 PolarHBondContact O-N 2.86Å; L42-V46 VanDerWaalsContact O-CG2 3.31Å; L42-V46 WeakPolarHBondContact O-CG2 3.22Å; L42-V46 PolarHBondContact O-N 2.88Å; L42-L70 HydrophobicContact CB-CD1 3.85Å; L42-L70 HydrophobicContact CB-CD2 3.85Å; L42-L70 HydrophobicContact CB-CG 4.49Å; L42-L70 HydrophobicContact CD1-CD2 3.94Å
43R94Very high90.8Very high22 Ų2260.3 Ų60.38%0.08333%0.333CS..Hα-helixtrans-59.2-51-179.6178.1-159.565.7-163.9-3.6110.9S39 E40 Q45 V46 V47 N66 A68 L70 V73S39-R43 WeakPolarHBondContact O-CB 3.4Å; S39-R43 PolarHBondContact O-N 2.94Å; E40-R43 WeakPolarHBondContact O-CB 3.41Å; E40-R43 PolarHBondContact O-N 2.92Å; R43-Q45 VanDerWaalsContact C-N 3.31Å; R43-Q45 PolarHBondContact O-N 2.89Å; R43-V46 WeakPolarHBondContact O-CB 3.42Å; R43-V46 PolarHBondContact O-N 3.38Å; R43-V47 PolarHBondContact O-N 2.98Å; R43-N66 PolarHBondContact NH1-O 2.8Å; R43-A68 WeakPolarHBondContact CD-O 3.41Å; R43-A68 PolarHBondContact NH1-O 3.36Å; R43-L70 HydrophobicContact CB-CB 4.36Å; R43-L70 HydrophobicContact CB-CD1 4.16Å; R43-V73 HydrophobicContact CG-CB 4.17Å; R43-V73 HydrophobicContact CG-CG2 3.69Å
44D93.7Very high90.5Very high63 Ų6358.4 Ų58.434%0.33733%0.326SS..Hα-helixtrans-63.6-41.4-177.8-61.5-7000110.5E40 L42 V46 V47 I48E40-D44 PolarHBondContact O-N 3.37Å; L42-D44 PolarHBondContact O-N 3.1Å; D44-V46 VanDerWaalsContact C-N 3.32Å; D44-V46 PolarHBondContact O-N 3.25Å; D44-V47 PolarHBondContact O-N 2.8Å; D44-I48 WeakPolarHBondContact O-CB 3.24Å; D44-I48 VanDerWaalsContact O-CG1 3.27Å; D44-I48 WeakPolarHBondContact O-CG1 3.19Å; D44-I48 PolarHBondContact O-N 3.37Å
45Q95Very high90.6Very high11 Ų1158.2 Ų58.25%0.05133%0.325CS..Hα-helixtrans-69.2-27.1178-167.861.42500113.1F7 S8 R10 L25 R41 L42 R43 G49F7-Q45 HydrophobicContact CD1-CG 4.28Å; F7-Q45 HydrophobicContact CE1-CB 3.61Å; F7-Q45 HydrophobicContact CE1-CG 3.73Å; F7-Q45 HydrophobicContact CE2-CB 4.29Å; F7-Q45 HydrophobicContact CE2-CG 4.22Å; F7-Q45 HydrophobicContact CZ-CB 3.42Å; F7-Q45 VanDerWaalsContact CZ-CB 3.42Å; F7-Q45 HydrophobicContact CZ-CG 3.7Å; F7-Q45 PolarHBondContact O-NE2 3.42Å; S8-Q45 PolarHBondContact O-NE2 3.47Å; R10-Q45 PolarHBondContact O-NE2 3.5Å; L25-Q45 HydrophobicContact CD1-CB 4.25Å; L25-Q45 HydrophobicContact CD1-CG 3.99Å; L25-Q45 HydrophobicContact CD2-CB 4.43Å; L25-Q45 HydrophobicContact CD2-CG 3.49Å; L25-Q45 VanDerWaalsContact CD2-CG 3.49Å; L25-Q45 HydrophobicContact CG-CG 4.4Å; R41-Q45 VanDerWaalsContact O-CB 3.25Å; R41-Q45 WeakPolarHBondContact O-CB 3.23Å; R41-Q45 PolarHBondContact O-N 3.34Å; L42-Q45 PolarHBondContact O-N 2.86Å; R43-Q45 VanDerWaalsContact C-N 3.31Å; R43-Q45 PolarHBondContact O-N 2.89Å; Q45-G49 WeakPolarHBondContact O-CA 3.32Å; Q45-G49 PolarHBondContact O-N 2.87Å
46V94Very high90.6Very high0 Ų057.9 Ų57.90%031%0.308CS..Hα-helixtrans-64.4-45.3171.4168.50000110.5V22 L25 L42 R43 D44 I50 L70 V73 A77V22-V46 HydrophobicContact CG2-CG2 3.88Å; L25-V46 HydrophobicContact CD1-CG2 3.83Å; L42-V46 VanDerWaalsContact O-CG2 3.31Å; L42-V46 WeakPolarHBondContact O-CG2 3.22Å; L42-V46 PolarHBondContact O-N 2.88Å; R43-V46 WeakPolarHBondContact O-CB 3.42Å; R43-V46 PolarHBondContact O-N 3.38Å; D44-V46 VanDerWaalsContact C-N 3.32Å; D44-V46 PolarHBondContact O-N 3.25Å; V46-I50 HydrophobicContact CG1-CD1 4.23Å; V46-I50 WeakPolarHBondContact O-CD1 3.48Å; V46-I50 VanDerWaalsContact O-CG1 3.24Å; V46-I50 WeakPolarHBondContact O-CG1 2.94Å; V46-I50 PolarHBondContact O-N 3.47Å; V46-L70 HydrophobicContact CG2-CD1 4.39Å; V46-V73 HydrophobicContact CB-CG1 4.35Å; V46-V73 HydrophobicContact CG1-CG1 3.89Å; V46-A77 HydrophobicContact CG1-CB 4.38Å
47V93Very high90.5Very high23 Ų2355.6 Ų55.614%0.13929%0.291CS..Hα-helixtrans-66.5-49.6178.1-177.50000110.8R43 D44 G49 Q56 L59 L60 V73R43-V47 PolarHBondContact O-N 2.98Å; D44-V47 PolarHBondContact O-N 2.8Å; V47-G49 PolarHBondContact O-N 2.86Å; V47-Q56 WeakPolarHBondContact O-CG 3.37Å; V47-Q56 PolarHBondContact O-NE2 2.8Å; V47-L59 HydrophobicContact CG1-CB 4.44Å; V47-L60 HydrophobicContact CG1-CD2 4.13Å; V47-L60 HydrophobicContact CG1-CG 4.23Å; V47-V73 HydrophobicContact CG2-CG1 3.69Å
48I92.6Very high90.4Very high88 Ų8856.1 Ų56.145%0.45129%0.289SS..Hα-helixtrans-64.7-42.6-178.9-65.8164.8000111.3F11 D44 I50 Q56F11-I48 HydrophobicContact CE1-CG2 4.36Å; D44-I48 WeakPolarHBondContact O-CB 3.24Å; D44-I48 VanDerWaalsContact O-CG1 3.27Å; D44-I48 WeakPolarHBondContact O-CG1 3.19Å; D44-I48 PolarHBondContact O-N 3.37Å; I48-I50 VanDerWaalsContact C-N 3.33Å; I48-I50 PolarHBondContact O-N 2.81Å; I48-Q56 PolarHBondContact O-NE2 3.4Å
49G92.2Very high90.4Very high0 Ų053 Ų530%027%0.272CS..Hα-helixtrans-80.9-7.6-173.100000114.4F11 R12 Q45 V47 N51F11-G49 CarbonylContact C-O 3.59Å; F11-G49 VanDerWaalsContact CA-O 3.32Å; F11-G49 WeakPolarHBondContact CA-O 3.38Å; R12-G49 PolarHBondContact N-O 3.1Å; Q45-G49 WeakPolarHBondContact O-CA 3.32Å; Q45-G49 PolarHBondContact O-N 2.87Å; V47-G49 PolarHBondContact O-N 2.86Å; G49-N51 PolarHBondContact O-N 3.08Å
50I88.8Confident90.4Very high0 Ų054.5 Ų54.50%027%0.274CS..  trans-69.2103.4169.1-79.1163.6000109.1F21 V46 I48 N52 W55 Q56 L59 A77F21-I50 HydrophobicContact CE1-CG1 4.45Å; V46-I50 HydrophobicContact CG1-CD1 4.23Å; V46-I50 WeakPolarHBondContact O-CD1 3.48Å; V46-I50 VanDerWaalsContact O-CG1 3.24Å; V46-I50 WeakPolarHBondContact O-CG1 2.94Å; V46-I50 PolarHBondContact O-N 3.47Å; I48-I50 VanDerWaalsContact C-N 3.33Å; I48-I50 PolarHBondContact O-N 2.81Å; I50-N52 HydrophobicContact CG2-CB 4.07Å; I50-N52 PolarHBondContact O-N 3.09Å; I50-W55 HydrophobicContact CD1-CE3 4.43Å; I50-W55 HydrophobicContact CG2-CB 3.65Å; I50-W55 HydrophobicContact CG2-CD2 4.3Å; I50-W55 HydrophobicContact CG2-CE3 3.8Å; I50-W55 HydrophobicContact CG2-CG 4.33Å; I50-Q56 HydrophobicContact CB-CG 4.28Å; I50-Q56 HydrophobicContact CG2-CG 4.14Å; I50-Q56 VanDerWaalsContact O-CG 3.29Å; I50-Q56 WeakPolarHBondContact O-CG 3.34Å; I50-Q56 PolarHBondContact O-NE2 3.47Å; I50-L59 HydrophobicContact CD1-CD1 3.4Å; I50-L59 VanDerWaalsContact CD1-CD1 3.4Å; I50-A77 HydrophobicContact CD1-CB 3.62Å
51N84.2Confident90.1Very high124 Ų12455.5 Ų55.566%0.66327%0.273SS*.  trans-76.752.1177.3-167.317.4000112.2G49G49-N51 PolarHBondContact O-N 3.08Å
52N85.8Confident89.8Confident27 Ų2752.9 Ų52.914%0.14427%0.266CS..  trans-146.6106.6173.7-175.1-37.1000108.7I50 T54 W55 Q56 E84I50-N52 HydrophobicContact CG2-CB 4.07Å; I50-N52 PolarHBondContact O-N 3.09Å; N52-T54 PolarHBondContact O-N 2.97Å; N52-T54 WeakPolarHBondContact OD1-CB 3.38Å; N52-T54 PolarHBondContact OD1-N 3.32Å; N52-W55 HydrophobicContact CB-CB 4.11Å; N52-W55 HydrophobicContact CB-CD2 4.17Å; N52-W55 HydrophobicContact CB-CG 3.9Å; N52-W55 VanDerWaalsContact CG-CD1 3.46Å; N52-W55 PolarHBondContact ND2-NE1 2.84Å; N52-W55 PolarHBondContact O-N 3.03Å; N52-W55 PolarHBondContact OD1-N 3.36Å; N52-Q56 WeakPolarHBondContact O-CG 3.3Å; N52-Q56 PolarHBondContact O-N 3.18Å; N52-E84 PolarHBondContact ND2-OE1 3.25Å; N52-E84 VanDerWaalsContact ND2-OE1 3.13Å
53V85.8Confident89.7Confident93 Ų9354.6 Ų54.656%0.56427%0.273SS*.Hα-helixtrans-56.7-37.9-175.6178.50000112.1W55 Q56 Q57V53-W55 VanDerWaalsContact C-N 3.34Å; V53-W55 PolarHBondContact O-N 2.99Å; V53-Q56 PolarHBondContact O-N 3.15Å; V53-Q57 HydrophobicContact CG1-CG 4.47Å; V53-Q57 WeakPolarHBondContact O-CG 3.24Å; V53-Q57 PolarHBondContact O-N 3.37Å
54T84Confident89.3Confident98 Ų9859 Ų5960%0.60130%0.304SS*.Hα-helixtrans-64.9-42179.9-460000110.8N52 E58N52-T54 PolarHBondContact O-N 2.97Å; N52-T54 WeakPolarHBondContact OD1-CB 3.38Å; N52-T54 PolarHBondContact OD1-N 3.32Å; T54-E58 WeakPolarHBondContact O-CB 3.1Å; T54-E58 PolarHBondContact O-N 3.46Å
55W90.2Very high89Confident18 Ų1859.2 Ų59.27%0.06831%0.311CS..Hα-helixtrans-70.6-38.9178.1-66.818000111.9R12 V18 I50 N52 V53 E58 L59 L80 E84R12-W55 VanDerWaalsContact CZ-CH2 3.47Å; V18-W55 HydrophobicContact CG2-CH2 4.38Å; V18-W55 HydrophobicContact CG2-CZ3 3.66Å; I50-W55 HydrophobicContact CD1-CE3 4.43Å; I50-W55 HydrophobicContact CG2-CB 3.65Å; I50-W55 HydrophobicContact CG2-CD2 4.3Å; I50-W55 HydrophobicContact CG2-CE3 3.8Å; I50-W55 HydrophobicContact CG2-CG 4.33Å; N52-W55 HydrophobicContact CB-CB 4.11Å; N52-W55 HydrophobicContact CB-CD2 4.17Å; N52-W55 HydrophobicContact CB-CG 3.9Å; N52-W55 VanDerWaalsContact CG-CD1 3.46Å; N52-W55 PolarHBondContact ND2-NE1 2.84Å; N52-W55 PolarHBondContact O-N 3.03Å; N52-W55 PolarHBondContact OD1-N 3.36Å; V53-W55 VanDerWaalsContact C-N 3.34Å; V53-W55 PolarHBondContact O-N 2.99Å; W55-E58 PolarHBondContact O-N 3.41Å; W55-L59 WeakPolarHBondContact O-CB 2.85Å; W55-L59 VanDerWaalsContact O-CG 3.3Å; W55-L59 WeakPolarHBondContact O-CG 3.5Å; W55-L59 PolarHBondContact O-N 3.36Å; W55-L80 HydrophobicContact CB-CD1 4.07Å; W55-L80 HydrophobicContact CD2-CB 3.82Å; W55-L80 HydrophobicContact CE3-CB 4.12Å; W55-L80 HydrophobicContact CG-CB 4.05Å; W55-L80 HydrophobicContact CG-CD1 4.27Å; W55-E84 HydrophobicContact CZ2-CB 3.71Å; W55-E84 HydrophobicContact CZ2-CG 4.31Å; W55-E84 WeakPolarHBondContact CZ2-OE2 3.42Å
56Q89.7Confident88.6Confident52 Ų5265.1 Ų65.124%0.24334%0.343CS..Hα-helixtrans-61-46.1176.6-70.1-175.4-46.900111.3V47 I48 I50 N52 V53 E58 L59 L60V47-Q56 WeakPolarHBondContact O-CG 3.37Å; V47-Q56 PolarHBondContact O-NE2 2.8Å; I48-Q56 PolarHBondContact O-NE2 3.4Å; I50-Q56 HydrophobicContact CB-CG 4.28Å; I50-Q56 HydrophobicContact CG2-CG 4.14Å; I50-Q56 VanDerWaalsContact O-CG 3.29Å; I50-Q56 WeakPolarHBondContact O-CG 3.34Å; I50-Q56 PolarHBondContact O-NE2 3.47Å; N52-Q56 WeakPolarHBondContact O-CG 3.3Å; N52-Q56 PolarHBondContact O-N 3.18Å; V53-Q56 PolarHBondContact O-N 3.15Å; Q56-E58 VanDerWaalsContact C-N 3.32Å; Q56-E58 PolarHBondContact O-N 3.48Å; Q56-L59 PolarHBondContact O-N 2.98Å; Q56-L60 WeakPolarHBondContact O-CB 3.44Å; Q56-L60 VanDerWaalsContact O-CG 3.28Å; Q56-L60 WeakPolarHBondContact O-CG 3.49Å; Q56-L60 PolarHBondContact O-N 2.97Å
57Q87.2Confident88.3Confident130 Ų13069 Ų6961%0.60738%0.375SS*.Hα-helixtrans-60-43.2175.5-73.9176.3-14.400111.6V53 L60 R61V53-Q57 HydrophobicContact CG1-CG 4.47Å; V53-Q57 WeakPolarHBondContact O-CG 3.24Å; V53-Q57 PolarHBondContact O-N 3.37Å; Q57-L60 PolarHBondContact O-N 3.31Å; Q57-R61 VanDerWaalsContact O-CB 3.31Å; Q57-R61 WeakPolarHBondContact O-CB 3.5Å; Q57-R61 PolarHBondContact O-N 2.68Å
58E87Confident88.1Confident41 Ų4168.3 Ų68.319%0.19237%0.372CS..Hα-helixtrans-67.9-38.2179.4-176.151-152.300112.8T54 W55 Q56 R61 Q62 L80T54-E58 WeakPolarHBondContact O-CB 3.1Å; T54-E58 PolarHBondContact O-N 3.46Å; W55-E58 PolarHBondContact O-N 3.41Å; Q56-E58 VanDerWaalsContact C-N 3.32Å; Q56-E58 PolarHBondContact O-N 3.48Å; E58-R61 VanDerWaalsContact CD-NH2 3.34Å; E58-R61 PolarHBondContact O-N 2.84Å; E58-R61 IonicContact OE1-CZ 2.8Å; E58-R61 IonicContact OE1-NE 3.66Å; E58-R61 IonicContact OE1-NH2 2.93Å; E58-R61 PolarHBondContact OE1-NH2 2.88Å; E58-R61 IonicContact OE2-CZ 3.61Å; E58-R61 IonicContact OE2-NE 3.82Å; E58-R61 PolarHBondContact OE2-NE 3.26Å; E58-R61 IonicContact OE2-NH2 3.97Å; E58-R61 PolarHBondContact OE2-NH2 2.87Å; E58-R61 VanDerWaalsContact OE2-NH2 3.13Å; E58-Q62 WeakPolarHBondContact O-CG 3.25Å; E58-Q62 PolarHBondContact O-N 2.81Å; E58-Q62 PolarHBondContact OE1-NE2 3.38Å; E58-L80 HydrophobicContact CB-CD1 4.13Å; E58-L80 HydrophobicContact CB-CD2 4.34Å; E58-L80 HydrophobicContact CG-CD1 4.04Å; E58-L80 HydrophobicContact CG-CD2 3.71Å; E58-L80 HydrophobicContact CG-CG 4.48Å
59L90.6Very high88.1Confident1 Ų167.6 Ų67.61%0.00537%0.372CS..Hα-helixtrans-65.4-43.9173.8-73.3171.3000111.9V47 I50 W55 Q56 R61 Q62 F63 A76 A77 L80V47-L59 HydrophobicContact CG1-CB 4.44Å; I50-L59 HydrophobicContact CD1-CD1 3.4Å; I50-L59 VanDerWaalsContact CD1-CD1 3.4Å; W55-L59 WeakPolarHBondContact O-CB 2.85Å; W55-L59 VanDerWaalsContact O-CG 3.3Å; W55-L59 WeakPolarHBondContact O-CG 3.5Å; W55-L59 PolarHBondContact O-N 3.36Å; Q56-L59 PolarHBondContact O-N 2.98Å; L59-R61 VanDerWaalsContact C-N 3.26Å; L59-R61 PolarHBondContact O-N 3.3Å; L59-Q62 PolarHBondContact O-N 2.85Å; L59-F63 HydrophobicContact CD2-CD2 4.5Å; L59-F63 HydrophobicContact CD2-CE2 4.23Å; L59-F63 WeakPolarHBondContact O-CD2 3.36Å; L59-F63 PolarHBondContact O-N 3.47Å; L59-A76 HydrophobicContact CD2-CB 3.61Å; L59-A77 HydrophobicContact CD1-CB 4.22Å; L59-A77 HydrophobicContact CD2-CB 4.38Å; L59-L80 HydrophobicContact CD2-CD1 4.18Å; L59-L80 HydrophobicContact CG-CD1 3.98Å
60L90.9Very high88.1Confident105 Ų10568.9 Ų68.955%0.5538%0.378SS..Hα-helixtrans-65.7-31176.1-70.4171000112V47 Q56 Q57 F63 P64V47-L60 HydrophobicContact CG1-CD2 4.13Å; V47-L60 HydrophobicContact CG1-CG 4.23Å; Q56-L60 WeakPolarHBondContact O-CB 3.44Å; Q56-L60 VanDerWaalsContact O-CG 3.28Å; Q56-L60 WeakPolarHBondContact O-CG 3.49Å; Q56-L60 PolarHBondContact O-N 2.97Å; Q57-L60 PolarHBondContact O-N 3.31Å; L60-F63 CarbonylContact O-C 3.51Å; L60-P64 WeakPolarHBondContact O-CA 3.45Å
61R86.4Confident88.2Confident135 Ų13574.7 Ų74.751%0.50941%0.406SS..Hα-helixtrans-70.5-43173.8-169.2-17573.6113.7-1.7112.1Q57 E58 L59 F63 E163Q57-R61 VanDerWaalsContact O-CB 3.31Å; Q57-R61 WeakPolarHBondContact O-CB 3.5Å; Q57-R61 PolarHBondContact O-N 2.68Å; E58-R61 VanDerWaalsContact CD-NH2 3.34Å; E58-R61 PolarHBondContact O-N 2.84Å; E58-R61 IonicContact OE1-CZ 2.8Å; E58-R61 IonicContact OE1-NE 3.66Å; E58-R61 IonicContact OE1-NH2 2.93Å; E58-R61 PolarHBondContact OE1-NH2 2.88Å; E58-R61 IonicContact OE2-CZ 3.61Å; E58-R61 IonicContact OE2-NE 3.82Å; E58-R61 PolarHBondContact OE2-NE 3.26Å; E58-R61 IonicContact OE2-NH2 3.97Å; E58-R61 PolarHBondContact OE2-NH2 2.87Å; E58-R61 VanDerWaalsContact OE2-NH2 3.13Å; L59-R61 VanDerWaalsContact C-N 3.26Å; L59-R61 PolarHBondContact O-N 3.3Å; R61-F63 VanDerWaalsContact C-N 3.34Å; R61-E163 IonicContact CZ-OE2 2.76Å; R61-E163 IonicContact NH1-OE2 3.06Å; R61-E163 IonicContact NH2-OE2 3.38Å; R61-E163 PolarHBondContact NH2-OE2 3.24Å
62Q87.6Confident88.5Confident70 Ų7073 Ų7333%0.32739%0.393SS..Hα-helixtrans-70.1-32.1177.1-74.1-178.937.200112.3E58 L59 P64E58-Q62 WeakPolarHBondContact O-CG 3.25Å; E58-Q62 PolarHBondContact O-N 2.81Å; E58-Q62 PolarHBondContact OE1-NE2 3.38Å; L59-Q62 PolarHBondContact O-N 2.85Å; Q62-P64 WeakPolarHBondContact O-CD 3.4Å
63F91.2Very high88.8Confident45 Ų4571.8 Ų71.820%0.19739%0.387CS..  trans-128.172.6-176.5-50.6-64.7000110.8L59 L60 R61 S65 A68 Q72 V73 A76L59-F63 HydrophobicContact CD2-CD2 4.5Å; L59-F63 HydrophobicContact CD2-CE2 4.23Å; L59-F63 WeakPolarHBondContact O-CD2 3.36Å; L59-F63 PolarHBondContact O-N 3.47Å; L60-F63 CarbonylContact O-C 3.51Å; R61-F63 VanDerWaalsContact C-N 3.34Å; F63-S65 PolarHBondContact O-N 3.07Å; F63-A68 HydrophobicContact CB-CB 3.89Å; F63-A68 HydrophobicContact CD1-CB 3.41Å; F63-A68 VanDerWaalsContact CD1-CB 3.41Å; F63-A68 HydrophobicContact CE1-CB 4.04Å; F63-A68 HydrophobicContact CG-CB 3.69Å; F63-Q72 HydrophobicContact CE1-CB 4.08Å; F63-Q72 HydrophobicContact CZ-CB 4.08Å; F63-V73 HydrophobicContact CD2-CG2 3.92Å; F63-V73 HydrophobicContact CE2-CG2 4.06Å; F63-V73 HydrophobicContact CG-CG2 4.39Å; F63-A76 HydrophobicContact CE2-CB 3.59Å; F63-A76 HydrophobicContact CZ-CB 3.93Å
64P85.7Confident89.1Confident114 Ų11468.3 Ų68.374%0.7437%0.365SS*.  trans-72.2-11.8-176.829.7-36000113.6L60 Q62L60-P64 WeakPolarHBondContact O-CA 3.45Å; Q62-P64 WeakPolarHBondContact O-CD 3.4Å
65S87Confident89.4Confident68 Ų6866.8 Ų66.848%0.47635%0.351SS..SBendtrans-125.5164.3178.874.60000111.7F63 A67F63-S65 PolarHBondContact O-N 3.07Å; S65-A67 PolarHBondContact O-N 3.22Å; S65-A67 WeakPolarHBondContact OG-CB 3.26Å
66N86.8Confident89.4Confident135 Ų13566 Ų6672%0.72235%0.348SS*.THydrogen-bonded Turntrans-72.212.9177.8-64.4-13.2000113.8R43R43-N66 PolarHBondContact NH1-O 2.8Å
67A87.6Confident89.5Confident82 Ų8263.5 Ų63.568%0.67834%0.336SS*.THydrogen-bonded Turntrans-78.8-18.6-177.500000113.7S65S65-A67 PolarHBondContact O-N 3.22Å; S65-A67 WeakPolarHBondContact OG-CB 3.26Å
68A89.2Confident89.6Confident9 Ų957.9 Ų57.97%0.07431%0.312CS..  trans-68.4137.9-178.900000111.8R43 F63 V73R43-A68 WeakPolarHBondContact CD-O 3.41Å; R43-A68 PolarHBondContact NH1-O 3.36Å; F63-A68 HydrophobicContact CB-CB 3.89Å; F63-A68 HydrophobicContact CD1-CB 3.41Å; F63-A68 VanDerWaalsContact CD1-CB 3.41Å; F63-A68 HydrophobicContact CE1-CB 4.04Å; F63-A68 HydrophobicContact CG-CB 3.69Å; A68-V73 HydrophobicContact CB-CG2 3.97Å
69T92.6Very high89.5Confident73 Ų7360.7 Ų60.745%0.44832%0.321SS..  trans-76.4156.9171.963.40000110.9Q71 Q72 V73T69-Q71 PolarHBondContact O-N 3.24Å; T69-Q72 PolarHBondContact O-N 3.23Å; T69-Q72 VanDerWaalsContact OG1-CG 3.27Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.45Å; T69-Q72 PolarHBondContact OG1-N 3.39Å; T69-Q72 PolarHBondContact OG1-OE1 2.98Å; T69-V73 PolarHBondContact O-N 3.32Å
70L91.3Very high89.4Confident26 Ų2662.2 Ų62.214%0.13633%0.328CS..Hα-helixtrans-52-43.5172.1173.761.5000111.4L42 R43 V46 Q72 V73 E74L42-L70 HydrophobicContact CB-CD1 3.85Å; L42-L70 HydrophobicContact CB-CD2 3.85Å; L42-L70 HydrophobicContact CB-CG 4.49Å; L42-L70 HydrophobicContact CD1-CD2 3.94Å; R43-L70 HydrophobicContact CB-CB 4.36Å; R43-L70 HydrophobicContact CB-CD1 4.16Å; V46-L70 HydrophobicContact CG2-CD1 4.39Å; L70-Q72 PolarHBondContact O-N 2.89Å; L70-V73 PolarHBondContact O-N 3.43Å; L70-E74 HydrophobicContact CD1-CG 3.98Å; L70-E74 VanDerWaalsContact CD1-OE1 3.24Å; L70-E74 WeakPolarHBondContact CD1-OE1 3.46Å; L70-E74 HydrophobicContact CG-CG 4.3Å; L70-E74 WeakPolarHBondContact CG-OE1 3.17Å; L70-E74 WeakPolarHBondContact O-CB 3.37Å; L70-E74 VanDerWaalsContact O-CG 3.29Å; L70-E74 WeakPolarHBondContact O-CG 3.39Å; L70-E74 PolarHBondContact O-N 2.96Å
71Q91.2Very high89Confident123 Ų12358 Ų5858%0.57531%0.31SS*.Hα-helixtrans-61-45.8-179.9-175.1-179.4-10.600112.4T69 V73 E74 E75T69-Q71 PolarHBondContact O-N 3.24Å; Q71-V73 VanDerWaalsContact C-N 3.32Å; Q71-V73 PolarHBondContact O-N 3.4Å; Q71-E74 PolarHBondContact O-N 2.97Å; Q71-E75 HydrophobicContact CG-CG 4.47Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.39Å; Q71-E75 PolarHBondContact NE2-OE1 2.89Å; Q71-E75 WeakPolarHBondContact O-CB 3.4Å; Q71-E75 WeakPolarHBondContact O-CG 3.38Å; Q71-E75 PolarHBondContact O-N 3.2Å
72Q91.1Very high88.5Confident87 Ų8753.4 Ų53.441%0.40730%0.295SS..Hα-helixtrans-61.2-40.9178.9-74.9165.8-44.400112.3F63 T69 L70 A76F63-Q72 HydrophobicContact CE1-CB 4.08Å; F63-Q72 HydrophobicContact CZ-CB 4.08Å; T69-Q72 PolarHBondContact O-N 3.23Å; T69-Q72 VanDerWaalsContact OG1-CG 3.27Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.45Å; T69-Q72 PolarHBondContact OG1-N 3.39Å; T69-Q72 PolarHBondContact OG1-OE1 2.98Å; L70-Q72 PolarHBondContact O-N 2.89Å; Q72-A76 WeakPolarHBondContact O-CB 3.47Å; Q72-A76 PolarHBondContact O-N 2.87Å
73V92.5Very high87.8Confident3 Ų352 Ų522%0.01830%0.296CS..Hα-helixtrans-69.2-42.2178.1175.80000111.3R43 V46 V47 F63 A68 T69 L70 Q71 A76 A77R43-V73 HydrophobicContact CG-CB 4.17Å; R43-V73 HydrophobicContact CG-CG2 3.69Å; V46-V73 HydrophobicContact CB-CG1 4.35Å; V46-V73 HydrophobicContact CG1-CG1 3.89Å; V47-V73 HydrophobicContact CG2-CG1 3.69Å; F63-V73 HydrophobicContact CD2-CG2 3.92Å; F63-V73 HydrophobicContact CE2-CG2 4.06Å; F63-V73 HydrophobicContact CG-CG2 4.39Å; A68-V73 HydrophobicContact CB-CG2 3.97Å; T69-V73 PolarHBondContact O-N 3.32Å; L70-V73 PolarHBondContact O-N 3.43Å; Q71-V73 VanDerWaalsContact C-N 3.32Å; Q71-V73 PolarHBondContact O-N 3.4Å; V73-A76 PolarHBondContact O-N 3.33Å; V73-A77 VanDerWaalsContact O-CB 3.3Å; V73-A77 WeakPolarHBondContact O-CB 3.25Å; V73-A77 PolarHBondContact O-N 3.26Å
74E92.2Very high86.7Confident20 Ų2053 Ų539%0.09330%0.301CS..Hα-helixtrans-60.1-46.7175.3-74.4178.1-171.500111.7V22 R26 L70 Q71 A76 A77 S78V22-E74 HydrophobicContact CG1-CG 4.12Å; V22-E74 WeakPolarHBondContact CG1-OE1 3.4Å; V22-E74 HydrophobicContact CG2-CG 3.98Å; R26-E74 IonicContact CZ-OE1 3.87Å; R26-E74 IonicContact CZ-OE2 2.75Å; R26-E74 IonicContact NE-OE1 2.85Å; R26-E74 IonicContact NH2-OE1 3.88Å; R26-E74 PolarHBondContact NH2-OE1 2.76Å; R26-E74 IonicContact NH2-OE2 3.62Å; R26-E74 PolarHBondContact NH2-OE2 3.44Å; L70-E74 HydrophobicContact CD1-CG 3.98Å; L70-E74 VanDerWaalsContact CD1-OE1 3.24Å; L70-E74 WeakPolarHBondContact CD1-OE1 3.46Å; L70-E74 HydrophobicContact CG-CG 4.3Å; L70-E74 WeakPolarHBondContact CG-OE1 3.17Å; L70-E74 WeakPolarHBondContact O-CB 3.37Å; L70-E74 VanDerWaalsContact O-CG 3.29Å; L70-E74 WeakPolarHBondContact O-CG 3.39Å; L70-E74 PolarHBondContact O-N 2.96Å; Q71-E74 PolarHBondContact O-N 2.97Å; E74-A76 PolarHBondContact O-N 3.01Å; E74-A77 PolarHBondContact O-N 3.14Å; E74-S78 WeakPolarHBondContact O-CB 3.33Å; E74-S78 PolarHBondContact O-N 3.47Å; E74-S78 PolarHBondContact O-OG 2.93Å; E74-S78 VanDerWaalsContact O-OG 3.07Å
75E89.3Confident85.6Confident66 Ų6649.6 Ų49.631%0.30828%0.28SS..Hα-helixtrans-62.3-43.5177.7-73.2174.3-17100111.5Q71 S78 R79Q71-E75 HydrophobicContact CG-CG 4.47Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.39Å; Q71-E75 PolarHBondContact NE2-OE1 2.89Å; Q71-E75 WeakPolarHBondContact O-CB 3.4Å; Q71-E75 WeakPolarHBondContact O-CG 3.38Å; Q71-E75 PolarHBondContact O-N 3.2Å; E75-S78 PolarHBondContact O-N 3.12Å; E75-R79 WeakPolarHBondContact O-CG 3.37Å; E75-R79 PolarHBondContact O-N 2.88Å
76A90.6Very high84.1Confident0 Ų050.5 Ų50.50%028%0.277CS..Hα-helixtrans-64.2-46.317700000112.6L59 F63 Q72 V73 E74 S78 R79 L80L59-A76 HydrophobicContact CD2-CB 3.61Å; F63-A76 HydrophobicContact CE2-CB 3.59Å; F63-A76 HydrophobicContact CZ-CB 3.93Å; Q72-A76 WeakPolarHBondContact O-CB 3.47Å; Q72-A76 PolarHBondContact O-N 2.87Å; V73-A76 PolarHBondContact O-N 3.33Å; E74-A76 PolarHBondContact O-N 3.01Å; A76-S78 VanDerWaalsContact C-N 3.32Å; A76-S78 PolarHBondContact O-N 3.3Å; A76-R79 WeakPolarHBondContact O-CB 3.41Å; A76-R79 PolarHBondContact O-N 3.03Å; A76-L80 WeakPolarHBondContact O-CG 3.4Å; A76-L80 PolarHBondContact O-N 2.88Å
77A91Very high82.5Confident0 Ų047.5 Ų47.50%026%0.26CS..Hα-helixtrans-60.8-43.4176.500000111.2V18 V46 I50 L59 V73 E74 L80 G81V18-A77 HydrophobicContact CG1-CB 3.66Å; V18-A77 HydrophobicContact CG2-CB 4.38Å; V46-A77 HydrophobicContact CG1-CB 4.38Å; I50-A77 HydrophobicContact CD1-CB 3.62Å; L59-A77 HydrophobicContact CD1-CB 4.22Å; L59-A77 HydrophobicContact CD2-CB 4.38Å; V73-A77 VanDerWaalsContact O-CB 3.3Å; V73-A77 WeakPolarHBondContact O-CB 3.25Å; V73-A77 PolarHBondContact O-N 3.26Å; E74-A77 PolarHBondContact O-N 3.14Å; A77-L80 PolarHBondContact O-N 2.95Å; A77-G81 PolarHBondContact O-N 3.04Å
78S89.6Confident80.9Confident13 Ų1348.2 Ų48.29%0.09125%0.249CC..Hα-helixtrans-61.3-46175.5-69.90000111.2E74 E75 A76 L80 G81 L82E74-S78 WeakPolarHBondContact O-CB 3.33Å; E74-S78 PolarHBondContact O-N 3.47Å; E74-S78 PolarHBondContact O-OG 2.93Å; E74-S78 VanDerWaalsContact O-OG 3.07Å; E75-S78 PolarHBondContact O-N 3.12Å; A76-S78 VanDerWaalsContact C-N 3.32Å; A76-S78 PolarHBondContact O-N 3.3Å; S78-L80 VanDerWaalsContact C-N 3.31Å; S78-L80 PolarHBondContact O-N 2.88Å; S78-G81 PolarHBondContact O-N 2.75Å; S78-G81 VanDerWaalsContact O-N 3.1Å; S78-L82 VanDerWaalsContact O-CG 3.24Å; S78-L82 WeakPolarHBondContact O-CG 3.26Å; S78-L82 PolarHBondContact O-N 3.15Å
79R86Confident78.7Confident100 Ų10056.2 Ų56.238%0.37728%0.278SS..Hα-helixtrans-54.6-44.5174.4-74-172.7-57.3-95.96.9112.4E75 A76 G81 L82 A83 L172E75-R79 WeakPolarHBondContact O-CG 3.37Å; E75-R79 PolarHBondContact O-N 2.88Å; A76-R79 WeakPolarHBondContact O-CB 3.41Å; A76-R79 PolarHBondContact O-N 3.03Å; R79-G81 PolarHBondContact O-N 3.02Å; R79-L82 PolarHBondContact O-N 3.23Å; R79-A83 PolarHBondContact O-N 2.75Å; R79-L172 HydrophobicContact CG-CD2 4.28Å
80L87.1Confident76Confident32 Ų3257.3 Ų57.317%0.16828%0.28CS..Hα-helixtrans-63.6-39.8177.4-66.4169.4000112.3W55 E58 L59 A76 A77 S78 L82 A83 E84W55-L80 HydrophobicContact CB-CD1 4.07Å; W55-L80 HydrophobicContact CD2-CB 3.82Å; W55-L80 HydrophobicContact CE3-CB 4.12Å; W55-L80 HydrophobicContact CG-CB 4.05Å; W55-L80 HydrophobicContact CG-CD1 4.27Å; E58-L80 HydrophobicContact CB-CD1 4.13Å; E58-L80 HydrophobicContact CB-CD2 4.34Å; E58-L80 HydrophobicContact CG-CD1 4.04Å; E58-L80 HydrophobicContact CG-CD2 3.71Å; E58-L80 HydrophobicContact CG-CG 4.48Å; L59-L80 HydrophobicContact CD2-CD1 4.18Å; L59-L80 HydrophobicContact CG-CD1 3.98Å; A76-L80 WeakPolarHBondContact O-CG 3.4Å; A76-L80 PolarHBondContact O-N 2.88Å; A77-L80 PolarHBondContact O-N 2.95Å; S78-L80 VanDerWaalsContact C-N 3.31Å; S78-L80 PolarHBondContact O-N 2.88Å; L80-L82 VanDerWaalsContact C-N 3.34Å; L80-L82 PolarHBondContact O-N 2.58Å; L80-A83 PolarHBondContact O-N 3.42Å; L80-E84 PolarHBondContact O-N 3.3Å
81G82.2Confident73.6Confident16 Ų1661 Ų6117%0.16530%0.297CS..Hα-helixtrans-65.8-34175.200000115.2A77 S78 R79 C85A77-G81 PolarHBondContact O-N 3.04Å; S78-G81 PolarHBondContact O-N 2.75Å; S78-G81 VanDerWaalsContact O-N 3.1Å; R79-G81 PolarHBondContact O-N 3.02Å; G81-C85 WeakPolarHBondContact O-CB 3.24Å; G81-C85 PolarHBondContact O-N 3.12Å
82L77.2Confident70.9Confident39 Ų3960.4 Ų60.420%0.20430%0.302CS..Hα-helixtrans-72.5-40.6174.2-60.7169.3000111.9S78 R79 L80 E84 C85 Q86 N173S78-L82 VanDerWaalsContact O-CG 3.24Å; S78-L82 WeakPolarHBondContact O-CG 3.26Å; S78-L82 PolarHBondContact O-N 3.15Å; R79-L82 PolarHBondContact O-N 3.23Å; L80-L82 VanDerWaalsContact C-N 3.34Å; L80-L82 PolarHBondContact O-N 2.58Å; L82-E84 VanDerWaalsContact C-N 3.34Å; L82-C85 PolarHBondContact O-N 2.77Å; L82-Q86 WeakPolarHBondContact O-CB 3.26Å; L82-Q86 VanDerWaalsContact O-CG 3.25Å; L82-Q86 WeakPolarHBondContact O-CG 3.44Å; L82-Q86 PolarHBondContact O-N 2.74Å; L82-N173 HydrophobicContact CD1-CB 3.29Å; L82-N173 VanDerWaalsContact CD1-N 3.33Å; L82-N173 VanDerWaalsContact CD1-ND2 3.28Å; L82-N173 WeakPolarHBondContact CD1-ND2 3.46Å; L82-N173 HydrophobicContact CD2-CB 3.58Å; L82-N173 WeakPolarHBondContact CD2-ND2 2.74Å; L82-N173 HydrophobicContact CG-CB 3.89Å; L82-N173 WeakPolarHBondContact CG-ND2 3.31Å
83A71.4Confident68.3Low42 Ų4264.1 Ų64.135%0.34731%0.313SS..Hα-helixtrans-59-46.2174.100000110.7R79 L80 Q86 L87R79-A83 PolarHBondContact O-N 2.75Å; L80-A83 PolarHBondContact O-N 3.42Å; A83-Q86 PolarHBondContact O-N 2.98Å; A83-L87 WeakPolarHBondContact O-CB 3.31Å; A83-L87 WeakPolarHBondContact O-CD1 3.5Å; A83-L87 WeakPolarHBondContact O-CG 3.25Å; A83-L87 PolarHBondContact O-N 2.89Å
84E69.5Low65.7Low64 Ų6469.9 Ų69.930%0.29935%0.351SS..Hα-helixtrans-61.7-48175.5-172169.7-121.900111.8R12 N52 W55 L80 L82 Q86 L87 E88R12-E84 IonicContact NH2-OE2 2.81Å; N52-E84 PolarHBondContact ND2-OE1 3.25Å; N52-E84 VanDerWaalsContact ND2-OE1 3.13Å; W55-E84 HydrophobicContact CZ2-CB 3.71Å; W55-E84 HydrophobicContact CZ2-CG 4.31Å; W55-E84 WeakPolarHBondContact CZ2-OE2 3.42Å; L80-E84 PolarHBondContact O-N 3.3Å; L82-E84 VanDerWaalsContact C-N 3.34Å; E84-Q86 VanDerWaalsContact C-N 3.31Å; E84-Q86 PolarHBondContact O-N 3.2Å; E84-L87 CarbonylContact O-C 3.54Å; E84-L87 WeakPolarHBondContact O-CB 3.25Å; E84-L87 PolarHBondContact O-N 3.44Å; E84-L87 VanDerWaalsContact O-N 3.11Å; E84-E88 WeakPolarHBondContact O-CG 3.27Å; E84-E88 PolarHBondContact O-N 2.74Å
85C62.6Low63.6Low43 Ų4371 Ų7129%0.29136%0.361SS..Hα-helixtrans-63.8-35.4179.2-166.10000112.4G81 L82 R89G81-C85 WeakPolarHBondContact O-CB 3.24Å; G81-C85 PolarHBondContact O-N 3.12Å; L82-C85 PolarHBondContact O-N 2.77Å; C85-R89 WeakPolarHBondContact O-CB 3.4Å; C85-R89 VanDerWaalsContact O-CG 3.29Å; C85-R89 WeakPolarHBondContact O-CG 3.42Å; C85-R89 PolarHBondContact O-N 2.75Å
86Q55.2Low62.2Low87 Ų8777 Ų7741%0.40739%0.386SS..Hα-helixtrans-67.7-42.8172-74.9177.36.200111.3L82 A83 E84 E88 R89 L90L82-Q86 WeakPolarHBondContact O-CB 3.26Å; L82-Q86 VanDerWaalsContact O-CG 3.25Å; L82-Q86 WeakPolarHBondContact O-CG 3.44Å; L82-Q86 PolarHBondContact O-N 2.74Å; A83-Q86 PolarHBondContact O-N 2.98Å; E84-Q86 VanDerWaalsContact C-N 3.31Å; E84-Q86 PolarHBondContact O-N 3.2Å; Q86-E88 VanDerWaalsContact C-N 3.3Å; Q86-E88 PolarHBondContact O-N 3.14Å; Q86-R89 PolarHBondContact O-N 2.87Å; Q86-L90 WeakPolarHBondContact O-CB 3.27Å; Q86-L90 WeakPolarHBondContact O-CG 3.03Å; Q86-L90 PolarHBondContact O-N 2.74Å
87L53.6Low61.1Low73 Ų7380.4 Ų80.438%0.38241%0.407SS..Hα-helixtrans-61.8-37.3175.8-72.3163.5000111.9A83 E84 Q91 R142A83-L87 WeakPolarHBondContact O-CB 3.31Å; A83-L87 WeakPolarHBondContact O-CD1 3.5Å; A83-L87 WeakPolarHBondContact O-CG 3.25Å; A83-L87 PolarHBondContact O-N 2.89Å; E84-L87 CarbonylContact O-C 3.54Å; E84-L87 WeakPolarHBondContact O-CB 3.25Å; E84-L87 PolarHBondContact O-N 3.44Å; E84-L87 VanDerWaalsContact O-N 3.11Å; L87-Q91 VanDerWaalsContact O-CG 3.26Å; L87-Q91 WeakPolarHBondContact O-CG 3.37Å; L87-Q91 PolarHBondContact O-N 2.96Å; L87-Q91 VanDerWaalsContact O-N 3.14Å; L87-R142 PolarHBondContact O-NH2 2.89Å
88E54Low60.3Low96 Ų9681.2 Ų81.245%0.44941%0.412SS..Hα-helixtrans-69.1-42.9173.7-74-176.9160.400111.8E84 Q86 L90 Q91 T92E84-E88 WeakPolarHBondContact O-CG 3.27Å; E84-E88 PolarHBondContact O-N 2.74Å; Q86-E88 VanDerWaalsContact C-N 3.3Å; Q86-E88 PolarHBondContact O-N 3.14Å; E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 2.86Å; E88-Q91 WeakPolarHBondContact O-CA 3.47Å; E88-Q91 WeakPolarHBondContact O-CB 3.47Å; E88-Q91 PolarHBondContact O-N 3.37Å; E88-T92 PolarHBondContact O-N 3.46Å
89R42.5Very low59.4Low177 Ų17785.2 Ų85.267%0.66843%0.432SS*.Hα-helixtrans-65.4-33.4174.7-73.5177.7-160-171.35.3112.8C85 Q86 Q91 T92C85-R89 WeakPolarHBondContact O-CB 3.4Å; C85-R89 VanDerWaalsContact O-CG 3.29Å; C85-R89 WeakPolarHBondContact O-CG 3.42Å; C85-R89 PolarHBondContact O-N 2.75Å; Q86-R89 PolarHBondContact O-N 2.87Å; R89-Q91 VanDerWaalsContact C-N 3.25Å; R89-Q91 PolarHBondContact O-N 2.91Å; R89-T92 WeakPolarHBondContact CA-OG1 3.49Å; R89-T92 PolarHBondContact O-N 2.73Å; R89-T92 PolarHBondContact O-OG1 3.11Å
90L36.5Very low59.1Low96 Ų9685.4 Ų85.450%0.50343%0.432SS..THydrogen-bonded Turntrans-73.4-17.4172.3-69.4168.1000112.4Q86 E88Q86-L90 WeakPolarHBondContact O-CB 3.27Å; Q86-L90 WeakPolarHBondContact O-CG 3.03Å; Q86-L90 PolarHBondContact O-N 2.74Å; E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 2.86Å
91Q40.9Very low58.9Low104 Ų10484.7 Ų84.749%0.48643%0.43SS..THydrogen-bonded Turntrans-83.3-20.7171.1-75.1169.10.700112.5L87 E88 R89 Y93L87-Q91 VanDerWaalsContact O-CG 3.26Å; L87-Q91 WeakPolarHBondContact O-CG 3.37Å; L87-Q91 PolarHBondContact O-N 2.96Å; L87-Q91 VanDerWaalsContact O-N 3.14Å; E88-Q91 WeakPolarHBondContact O-CA 3.47Å; E88-Q91 WeakPolarHBondContact O-CB 3.47Å; E88-Q91 PolarHBondContact O-N 3.37Å; R89-Q91 VanDerWaalsContact C-N 3.25Å; R89-Q91 PolarHBondContact O-N 2.91Å; Q91-Y93 VanDerWaalsContact C-N 3.26Å; Q91-Y93 PolarHBondContact O-N 3.45Å; Q91-Y93 VanDerWaalsContact O-N 3.11Å
92T34.8Very low58.5Low110 Ų11085.8 Ų85.868%0.67544%0.441SS*.  trans-8559.2173.648.20000112.6E88 R89E88-T92 PolarHBondContact O-N 3.46Å; R89-T92 WeakPolarHBondContact CA-OG1 3.49Å; R89-T92 PolarHBondContact O-N 2.73Å; R89-T92 PolarHBondContact O-OG1 3.11Å
93Y35.1Very low58.5Low165 Ų16585.4 Ų85.465%0.64745%0.446SS*.SBendtrans-97.5142.6152.9-79.8-89.3000107.7Q91 S95Q91-Y93 VanDerWaalsContact C-N 3.26Å; Q91-Y93 PolarHBondContact O-N 3.45Å; Q91-Y93 VanDerWaalsContact O-N 3.11Å; Y93-S95 PolarHBondContact O-N 3.04Å
94P38.8Very low58.7Low124 Ų12492.2 Ų92.281%0.80547%0.468SS*.  trans-65.995.7-172.126.6-32.3000109.8K96P94-K96 PolarHBondContact O-N 2.96Å
95S47.9Very low58.7Low44 Ų4493.5 Ų93.531%0.30848%0.481SS..  trans-57.1128.4166.2166.60000107.8Y93 V97 V105Y93-S95 PolarHBondContact O-N 3.04Å; S95-V97 WeakPolarHBondContact CB-O 2.99Å; S95-V97 PolarHBondContact O-N 3.35Å; S95-V97 WeakPolarHBondContact OG-CG2 3.37Å; S95-V97 PolarHBondContact OG-N 3.08Å; S95-V97 VanDerWaalsContact OG-N 3.13Å; S95-V97 PolarHBondContact OG-O 3.46Å; S95-V105 WeakPolarHBondContact O-CG2 3.48Å
96K60.2Low59.1Low193 Ų19394.3 Ų94.384%0.83948%0.48SS*.SBendtrans-62.6-5.7172.5-69.3-176178-179.60112.9P94P94-K96 PolarHBondContact O-N 2.96Å
97V67.4Low59.7Low71 Ų7197 Ų9743%0.4350%0.496SS..BIsolated β-bridgetrans-128.4142.8-178-64.20000112.2S95 L99 G103S95-V97 WeakPolarHBondContact CB-O 2.99Å; S95-V97 PolarHBondContact O-N 3.35Å; S95-V97 WeakPolarHBondContact OG-CG2 3.37Å; S95-V97 PolarHBondContact OG-N 3.08Å; S95-V97 VanDerWaalsContact OG-N 3.13Å; S95-V97 PolarHBondContact OG-O 3.46Å; V97-L99 PolarHBondContact O-N 3.16Å; V97-G103 CarbonylContact C-O 3.44Å; V97-G103 WeakPolarHBondContact CA-O 3.36Å; V97-G103 WeakPolarHBondContact CB-O 3.47Å
98C73.7Confident59.7Low16 Ų16103 Ų10311%0.10852%0.522CS..  trans-66.7121.7173.3173.70000110.5R100 C101 G102 G103 H106 C112C98-R100 PolarHBondContact O-N 2.66Å; C98-R100 VanDerWaalsContact O-N 3.11Å; C98-R100 PolarHBondContact SG-N 2.93Å; C98-C101 VanDerWaalsContact CB-SG 3.58Å; C98-C101 VanDerWaalsContact SG-SG 3.63Å; C98-G102 VanDerWaalsContact O-CA 3.31Å; C98-G102 WeakPolarHBondContact O-CA 3.37Å; C98-G102 PolarHBondContact O-N 3.28Å; C98-G103 PolarHBondContact N-O 3.31Å; C98-H106 PolarHBondContact SG-CD2 3.31Å; C98-H106 PolarHBondContact SG-NE2 3.39Å; C98-C112 VanDerWaalsContact SG-SG 3.65Å
99L71.9Confident59.9Low97 Ų97106.3 Ų106.351%0.50854%0.543SS..THydrogen-bonded Turntrans-70.9-3.1-178.7-60.9177.1000114.3V97 A131V97-L99 PolarHBondContact O-N 3.16Å; L99-A131 WeakPolarHBondContact O-CB 3.42Å
100R78.5Confident61.1Low104 Ų104100.8 Ų100.839%0.39253%0.532SS..THydrogen-bonded Turntrans-98.3-48.7175.1-61.4-170.2175.9-171.30.3111.9C98 C112 A114 E115 G126 H127 L128 A131C98-R100 PolarHBondContact O-N 2.66Å; C98-R100 VanDerWaalsContact O-N 3.11Å; C98-R100 PolarHBondContact SG-N 2.93Å; R100-C112 VanDerWaalsContact CB-SG 3.54Å; R100-A114 HydrophobicContact CB-CB 3.96Å; R100-A114 WeakPolarHBondContact O-CB 3.37Å; R100-E115 IonicContact CZ-OE1 3.51Å; R100-E115 VanDerWaalsContact NH1-CD 3.35Å; R100-E115 VanDerWaalsContact NH1-CG 3.33Å; R100-E115 IonicContact NH1-OE1 3.83Å; R100-E115 PolarHBondContact NH1-OE1 3.16Å; R100-G126 VanDerWaalsContact CB-O 3.29Å; R100-G126 WeakPolarHBondContact CB-O 3.38Å; R100-G126 WeakPolarHBondContact CD-O 3.12Å; R100-G126 WeakPolarHBondContact CG-O 3.16Å; R100-H127 CarbonylContact O-C 3.36Å; R100-H127 WeakPolarHBondContact O-CA 3.41Å; R100-H127 WeakPolarHBondContact O-CB 3.49Å; R100-L128 PolarHBondContact O-N 2.87Å; R100-A131 WeakPolarHBondContact O-CB 2.95Å
101C84.1Confident62.9Low18 Ų18105.9 Ų105.912%0.12254%0.544CS..THydrogen-bonded Turntrans-103.5-14.8-175.968.20000114.7C98 G103 H106 A114 L128 S130C98-C101 VanDerWaalsContact CB-SG 3.58Å; C98-C101 VanDerWaalsContact SG-SG 3.63Å; C101-G103 PolarHBondContact O-N 2.86Å; C101-G103 PolarHBondContact SG-N 3.46Å; C101-H106 PolarHBondContact SG-NE2 2.8Å; C101-H106 VanDerWaalsContact SG-NE2 3.39Å; C101-A114 HydrophobicContact CB-CB 3.81Å; C101-L128 HydrophobicContact CB-CD1 4.09Å; C101-S130 PolarHBondContact O-OG 3.17Å
102G73.1Confident64.8Low38 Ų38101.6 Ų101.639%0.39253%0.526SS..SBendtrans75.42.6-171.500000114.4C98C98-G102 VanDerWaalsContact O-CA 3.31Å; C98-G102 WeakPolarHBondContact O-CA 3.37Å; C98-G102 PolarHBondContact O-N 3.28Å
103G76.4Confident67.1Low31 Ų31100.8 Ų100.832%0.3252%0.522SS..SBendtrans-84.7-169.7176.800000113.5V97 C98 C101V97-G103 CarbonylContact C-O 3.44Å; V97-G103 WeakPolarHBondContact CA-O 3.36Å; V97-G103 WeakPolarHBondContact CB-O 3.47Å; C98-G103 PolarHBondContact N-O 3.31Å; C101-G103 PolarHBondContact O-N 2.86Å; C101-G103 PolarHBondContact SG-N 3.46Å
104K75.8Confident69.3Low185 Ų18592.9 Ų92.980%0.80449%0.491SS*.BIsolated β-bridgetrans-62.5150.7173.8-67.7-178.6179.9178.10111.1H106K104-H106 PolarHBondContact O-N 3.24Å
105V69.7Low71.2Confident92 Ų9290.7 Ų90.756%0.55847%0.47SS*.PPolyproline II helixtrans-54.2130.9174.6-178.80000109.9S95S95-V105 WeakPolarHBondContact O-CG2 3.48Å
106H70.9Confident72.8Confident59 Ų5995.9 Ų95.927%0.27349%0.49SS..PPolyproline II helixtrans-77.3144.7177.9-58.3-49.4000110.1C98 C101 K104 C112C98-H106 PolarHBondContact SG-CD2 3.31Å; C98-H106 PolarHBondContact SG-NE2 3.39Å; C101-H106 PolarHBondContact SG-NE2 2.8Å; C101-H106 VanDerWaalsContact SG-NE2 3.39Å; K104-H106 PolarHBondContact O-N 3.24Å; H106-C112 PolarHBondContact NE2-SG 3.48Å
107L67.1Low74Confident144 Ų14492.5 Ų92.575%0.75448%0.475SS*.PPolyproline II helixtrans-64157.5172.3-66.2163.9000109.3N109 S110L107-N109 PolarHBondContact O-N 3.21Å; L107-S110 PolarHBondContact O-N 2.97Å; L107-S110 PolarHBondContact O-OG 3.27Å
108Q54.9Low74.8Confident199 Ų19996.5 Ų96.593%0.9349%0.487SS*.THydrogen-bonded Turntrans-52.6-11.9-170.7-105.3166.5-13.900116
109N58.3Low75.3Confident166 Ų16695.9 Ų95.989%0.88848%0.482SS*.THydrogen-bonded Turntrans-127.810.5179.8-67.7-24.5000114.9L107L107-N109 PolarHBondContact O-N 3.21Å
110S66.7Low75.9Confident61 Ų6199.3 Ų99.343%0.42749%0.489SS..PPolyproline II helixtrans-93.7125.6179.7-31.90000111.2L107L107-S110 PolarHBondContact O-N 2.97Å; L107-S110 PolarHBondContact O-OG 3.27Å
111R74.6Confident75.7Confident202 Ų20298.7 Ų98.776%0.76249%0.491SS*.PPolyproline II helixtrans-64.2136.7172.8-74.1-169.4-177.2-166.31.8110.7
112C81.4Confident75.4Confident14 Ų1499.7 Ų99.710%0.09550%0.498CS..PPolyproline II helixtrans-77132.2176.4-178.70000109.9C98 R100 H106 A114 E115C98-C112 VanDerWaalsContact SG-SG 3.65Å; R100-C112 VanDerWaalsContact CB-SG 3.54Å; H106-C112 PolarHBondContact NE2-SG 3.48Å; C112-A114 PolarHBondContact O-N 2.96Å; C112-A114 PolarHBondContact SG-N 3.16Å; C112-A114 VanDerWaalsContact SG-N 3.43Å; C112-E115 HydrophobicContact CB-CB 4.31Å; C112-E115 VanDerWaalsContact O-CB 3.25Å; C112-E115 WeakPolarHBondContact O-CB 3.33Å; C112-E115 PolarHBondContact O-N 2.75Å
113P82.2Confident75.6Confident93 Ų9399.8 Ų99.860%0.60450%0.499SS*.THydrogen-bonded Turntrans-56.8-17.9175-25.934.1000114.8K117P113-K117 VanDerWaalsContact O-CG 3.24Å; P113-K117 WeakPolarHBondContact O-CG 3.42Å
114A82.3Confident75.6Confident0 Ų0100.8 Ų100.80%050%0.501CS..THydrogen-bonded Turntrans-99.6-1.3-178.300000114.2R100 C101 C112 E116 K117 G126 H127 L128R100-A114 HydrophobicContact CB-CB 3.96Å; R100-A114 WeakPolarHBondContact O-CB 3.37Å; C101-A114 HydrophobicContact CB-CB 3.81Å; C112-A114 PolarHBondContact O-N 2.96Å; C112-A114 PolarHBondContact SG-N 3.16Å; C112-A114 VanDerWaalsContact SG-N 3.43Å; A114-E116 VanDerWaalsContact C-N 3.32Å; A114-E116 PolarHBondContact O-N 3.09Å; A114-K117 PolarHBondContact O-N 3.48Å; A114-G126 CarbonylContact O-C 3.58Å; A114-G126 VanDerWaalsContact O-CA 3.24Å; A114-G126 WeakPolarHBondContact O-CA 3.44Å; A114-H127 PolarHBondContact O-N 2.93Å; A114-L128 HydrophobicContact CB-CD1 4.46Å; A114-L128 HydrophobicContact CB-CD2 4.35Å; A114-L128 HydrophobicContact CB-CG 3.8Å
115E78.2Confident76Confident77 Ų7798 Ų9836%0.3649%0.494SS..THydrogen-bonded Turntrans-58-38.6-174.2176.3146-124.300114R100 C112 G126R100-E115 IonicContact CZ-OE1 3.51Å; R100-E115 VanDerWaalsContact NH1-CD 3.35Å; R100-E115 VanDerWaalsContact NH1-CG 3.33Å; R100-E115 IonicContact NH1-OE1 3.83Å; R100-E115 PolarHBondContact NH1-OE1 3.16Å; C112-E115 HydrophobicContact CB-CB 4.31Å; C112-E115 VanDerWaalsContact O-CB 3.25Å; C112-E115 WeakPolarHBondContact O-CB 3.33Å; C112-E115 PolarHBondContact O-N 2.75Å; E115-G126 WeakPolarHBondContact O-CA 3.27Å
116E82.4Confident76.4Confident153 Ų15394.3 Ų94.372%0.71548%0.475SS*.THydrogen-bonded Turntrans-112.910.7-179.5-62.5176.4-179.900112.1A114A114-E116 VanDerWaalsContact C-N 3.32Å; A114-E116 PolarHBondContact O-N 3.09Å
117K83.6Confident77Confident123 Ų12392.6 Ų92.654%0.53547%0.467SS..PPolyproline II helixtrans-87.4136.6-178.3-64.6-65.6-176.6-176.20110.7P113 A114 G126 L128P113-K117 VanDerWaalsContact O-CG 3.24Å; P113-K117 WeakPolarHBondContact O-CG 3.42Å; A114-K117 PolarHBondContact O-N 3.48Å; K117-G126 PolarHBondContact O-N 2.96Å; K117-L128 HydrophobicContact CB-CD2 4.17Å; K117-L128 HydrophobicContact CG-CD2 4.4Å
118K86.1Confident77.8Confident155 Ų15588.8 Ų88.867%0.67445%0.447SS*.BIsolated β-bridgetrans-82.2124.6171.4-170.6174.6-178.4178.80109.5Y120 G123 L125K118-Y120 PolarHBondContact O-N 3.16Å; K118-G123 WeakPolarHBondContact CE-O 3.17Å; K118-G123 WeakPolarHBondContact CG-O 3.38Å; K118-L125 HydrophobicContact CB-CD2 4.05Å
119C82.3Confident79Confident2 Ų279.4 Ų79.41%0.01440%0.403CS..PPolyproline II helixtrans-67.4124.4176.1176.50000110.5Q121 G123 S124 H127 C132C119-Q121 PolarHBondContact O-N 3.46Å; C119-Q121 PolarHBondContact SG-N 3.24Å; C119-Q121 VanDerWaalsContact SG-N 3.42Å; C119-G123 VanDerWaalsContact O-CA 3.24Å; C119-G123 WeakPolarHBondContact O-CA 3.44Å; C119-G123 PolarHBondContact O-N 3.13Å; C119-S124 WeakPolarHBondContact CB-O 3.27Å; C119-S124 PolarHBondContact N-O 3.42Å; C119-H127 VanDerWaalsContact CB-NE2 3.32Å; C119-H127 WeakPolarHBondContact CB-NE2 3.38Å; C119-H127 PolarHBondContact SG-NE2 3.15Å; C119-C132 VanDerWaalsContact SG-SG 3.68Å
120Y84.8Confident79.8Confident169 Ų16974.7 Ų74.766%0.66338%0.383SS*.THydrogen-bonded Turntrans-74.3-6.317967.1-102000114.1K118 A129 R137K118-Y120 PolarHBondContact O-N 3.16Å; Y120-A129 HydrophobicContact CD1-CB 3.64Å; Y120-A129 HydrophobicContact CD2-CB 4.03Å; Y120-A129 HydrophobicContact CE1-CB 3.13Å; Y120-A129 HydrophobicContact CE2-CB 3.54Å; Y120-A129 HydrophobicContact CG-CB 4.06Å; Y120-A129 WeakPolarHBondContact OH-CB 3.28Å; Y120-R137 PolarHBondContact OH-NH1 3.04Å; Y120-R137 VanDerWaalsContact OH-NH1 3.1Å
121Q75.4Confident80.1Confident92 Ų9272 Ų7243%0.4336%0.364SS..THydrogen-bonded Turntrans-100.4-38.3178.4-75.1-68.4-47.900113.7C119 A129C119-Q121 PolarHBondContact O-N 3.46Å; C119-Q121 PolarHBondContact SG-N 3.24Å; C119-Q121 VanDerWaalsContact SG-N 3.42Å; Q121-A129 HydrophobicContact CB-CB 4.26Å; Q121-A129 HydrophobicContact CG-CB 3.7Å
122C77.8Confident80.1Confident39 Ų3962.3 Ų62.326%0.26433%0.328SS..THydrogen-bonded Turntrans-118.5-6.2-178.572.30000114.1S124 H127 T134C122-S124 VanDerWaalsContact C-N 3.26Å; C122-S124 PolarHBondContact O-N 3.25Å; C122-S124 PolarHBondContact SG-OG 2.77Å; C122-H127 PolarHBondContact SG-CE1 3.31Å; C122-H127 PolarHBondContact SG-NE2 3.45Å; C122-T134 HydrophobicContact CB-CG2 3.8Å
123G76.2Confident79.4Confident39 Ų3966 Ų6640%0.40235%0.35SS..  trans77-4.6176.100000116.3K118 C119K118-G123 WeakPolarHBondContact CE-O 3.17Å; K118-G123 WeakPolarHBondContact CG-O 3.38Å; C119-G123 VanDerWaalsContact O-CA 3.24Å; C119-G123 WeakPolarHBondContact O-CA 3.44Å; C119-G123 PolarHBondContact O-N 3.13Å
124S77.3Confident78.6Confident53 Ų5366.9 Ų66.937%0.37135%0.354SS..  trans-87.4159.5178.856.50000113.2C119 C122 H127C119-S124 WeakPolarHBondContact CB-O 3.27Å; C119-S124 PolarHBondContact N-O 3.42Å; C122-S124 VanDerWaalsContact C-N 3.26Å; C122-S124 PolarHBondContact O-N 3.25Å; C122-S124 PolarHBondContact SG-OG 2.77Å; S124-H127 PolarHBondContact OG-CE1 2.89Å; S124-H127 VanDerWaalsContact OG-CE1 3.23Å
125L83.6Confident77.7Confident127 Ų12768.9 Ų68.967%0.66537%0.367SS*.BIsolated β-bridgetrans-85.2156.2-178.2-69169.7000112.1K118K118-L125 HydrophobicContact CB-CD2 4.05Å
126G79Confident76.6Confident14 Ų1467.1 Ų67.114%0.14437%0.37CS..SBendtrans94.110.6167.200000115.6R100 A114 E115 K117R100-G126 VanDerWaalsContact CB-O 3.29Å; R100-G126 WeakPolarHBondContact CB-O 3.38Å; R100-G126 WeakPolarHBondContact CD-O 3.12Å; R100-G126 WeakPolarHBondContact CG-O 3.16Å; A114-G126 CarbonylContact O-C 3.58Å; A114-G126 VanDerWaalsContact O-CA 3.24Å; A114-G126 WeakPolarHBondContact O-CA 3.44Å; E115-G126 WeakPolarHBondContact O-CA 3.27Å; K117-G126 PolarHBondContact O-N 2.96Å
127H83Confident75.2Confident23 Ų2365.7 Ų65.711%0.10636%0.358CS..  trans-156.9159.6172.467.8-80.4000113.4R100 A114 C119 C122 S124 C132R100-H127 CarbonylContact O-C 3.36Å; R100-H127 WeakPolarHBondContact O-CA 3.41Å; R100-H127 WeakPolarHBondContact O-CB 3.49Å; A114-H127 PolarHBondContact O-N 2.93Å; C119-H127 VanDerWaalsContact CB-NE2 3.32Å; C119-H127 WeakPolarHBondContact CB-NE2 3.38Å; C119-H127 PolarHBondContact SG-NE2 3.15Å; C122-H127 PolarHBondContact SG-CE1 3.31Å; C122-H127 PolarHBondContact SG-NE2 3.45Å; S124-H127 PolarHBondContact OG-CE1 2.89Å; S124-H127 VanDerWaalsContact OG-CE1 3.23Å; H127-C132 VanDerWaalsContact CD2-CA 3.43Å; H127-C132 WeakPolarHBondContact CD2-CA 3.3Å; H127-C132 WeakPolarHBondContact NE2-CB 3.48Å; H127-C132 PolarHBondContact NE2-SG 3.32Å; H127-C132 VanDerWaalsContact NE2-SG 3.43Å
128L83.1Confident73.6Confident64 Ų6461.1 Ų61.134%0.33534%0.341SS..  trans-89.3157171-63.2178.5000110.8R100 C101 A114 K117 S130 A131 C132R100-L128 PolarHBondContact O-N 2.87Å; C101-L128 HydrophobicContact CB-CD1 4.09Å; A114-L128 HydrophobicContact CB-CD1 4.46Å; A114-L128 HydrophobicContact CB-CD2 4.35Å; A114-L128 HydrophobicContact CB-CG 3.8Å; K117-L128 HydrophobicContact CB-CD2 4.17Å; K117-L128 HydrophobicContact CG-CD2 4.4Å; L128-S130 WeakPolarHBondContact CB-OG 3.24Å; L128-S130 PolarHBondContact O-N 3.41Å; L128-S130 VanDerWaalsContact O-N 3.09Å; L128-A131 CarbonylContact O-C 3.1Å; L128-A131 WeakPolarHBondContact O-CA 3.47Å; L128-A131 PolarHBondContact O-N 3.03Å; L128-C132 PolarHBondContact O-N 3.25Å; L128-C132 VanDerWaalsContact O-N 3.13Å
129A81.5Confident71.7Confident1 Ų159 Ų591%0.00834%0.34CS..G310 helixtrans-58.5-26.2177.100000114.1Y120 Q121 A131 C132 R137Y120-A129 HydrophobicContact CD1-CB 3.64Å; Y120-A129 HydrophobicContact CD2-CB 4.03Å; Y120-A129 HydrophobicContact CE1-CB 3.13Å; Y120-A129 HydrophobicContact CE2-CB 3.54Å; Y120-A129 HydrophobicContact CG-CB 4.06Å; Y120-A129 WeakPolarHBondContact OH-CB 3.28Å; Q121-A129 HydrophobicContact CB-CB 4.26Å; Q121-A129 HydrophobicContact CG-CB 3.7Å; A129-A131 PolarHBondContact O-N 3.19Å; A129-C132 WeakPolarHBondContact O-CB 3.45Å; A129-C132 PolarHBondContact O-N 2.92Å; A129-R137 WeakPolarHBondContact O-CD 3.5Å
130S74.3Confident69.9Low68 Ų6862.2 Ų62.248%0.47636%0.36SS..G310 helixtrans-62.7-27.4171.749.60000113C101 L128C101-S130 PolarHBondContact O-OG 3.17Å; L128-S130 WeakPolarHBondContact CB-OG 3.24Å; L128-S130 PolarHBondContact O-N 3.41Å; L128-S130 VanDerWaalsContact O-N 3.09Å
131A73.9Confident67.6Low3 Ų359.9 Ų59.93%0.02536%0.364CS..G310 helixtrans-110.714.5178.900000112.4L99 R100 L128 A129 V133 C138L99-A131 WeakPolarHBondContact O-CB 3.42Å; R100-A131 WeakPolarHBondContact O-CB 2.95Å; L128-A131 CarbonylContact O-C 3.1Å; L128-A131 WeakPolarHBondContact O-CA 3.47Å; L128-A131 PolarHBondContact O-N 3.03Å; A129-A131 PolarHBondContact O-N 3.19Å; A131-V133 PolarHBondContact O-N 3.05Å; A131-C138 VanDerWaalsContact C-CB 3.47Å; A131-C138 WeakPolarHBondContact O-CB 3.32Å
132C73.8Confident65.8Low0 Ų060.1 Ų60.10%036%0.361CS..  trans-76.6114.8-177.5-179.10000111.3C119 H127 L128 A129 S135 R137 C138C119-C132 VanDerWaalsContact SG-SG 3.68Å; H127-C132 VanDerWaalsContact CD2-CA 3.43Å; H127-C132 WeakPolarHBondContact CD2-CA 3.3Å; H127-C132 WeakPolarHBondContact NE2-CB 3.48Å; H127-C132 PolarHBondContact NE2-SG 3.32Å; H127-C132 VanDerWaalsContact NE2-SG 3.43Å; L128-C132 PolarHBondContact O-N 3.25Å; L128-C132 VanDerWaalsContact O-N 3.13Å; A129-C132 WeakPolarHBondContact O-CB 3.45Å; A129-C132 PolarHBondContact O-N 2.92Å; C132-S135 VanDerWaalsContact CB-OG 3.24Å; C132-S135 WeakPolarHBondContact CB-OG 3.33Å; C132-S135 PolarHBondContact O-OG 3.07Å; C132-S135 PolarHBondContact SG-N 2.94Å; C132-S135 PolarHBondContact SG-OG 2.68Å; C132-S135 VanDerWaalsContact SG-OG 3.35Å; C132-R137 PolarHBondContact O-N 2.78Å; C132-C138 PolarHBondContact O-N 3.49Å; C132-C138 VanDerWaalsContact O-N 3.13Å
133V67.5Low63.7Low92 Ų9267.2 Ų67.256%0.55839%0.39SS*.THydrogen-bonded Turntrans-71.7-39.4175.5-176.20000110.2A131 S135 G136 C138A131-V133 PolarHBondContact O-N 3.05Å; V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 PolarHBondContact O-N 3.34Å; V133-G136 PolarHBondContact O-N 3.33Å; V133-G136 VanDerWaalsContact O-N 3.1Å; V133-C138 HydrophobicContact CG2-CB 4.32Å
134T64.8Low61.5Low111 Ų11172.2 Ų72.268%0.68141%0.407SS*.THydrogen-bonded Turntrans-64.3-31.6-179.6-450000113.1C122 G136C122-T134 HydrophobicContact CB-CG2 3.8Å; T134-G136 VanDerWaalsContact C-N 3.34Å
135S62.4Low59.6Low41 Ų4177 Ų7729%0.28742%0.424SS..THydrogen-bonded Turntrans-88.9-0.3176.971.20000113.6C132 V133 R137C132-S135 VanDerWaalsContact CB-OG 3.24Å; C132-S135 WeakPolarHBondContact CB-OG 3.33Å; C132-S135 PolarHBondContact O-OG 3.07Å; C132-S135 PolarHBondContact SG-N 2.94Å; C132-S135 PolarHBondContact SG-OG 2.68Å; C132-S135 VanDerWaalsContact SG-OG 3.35Å; V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 PolarHBondContact O-N 3.34Å; S135-R137 PolarHBondContact O-N 2.82Å
136G54.8Low57Low40 Ų4079.5 Ų79.541%0.41243%0.425SS..THydrogen-bonded Turntrans7010.9-178.100000115V133 T134V133-G136 PolarHBondContact O-N 3.33Å; V133-G136 VanDerWaalsContact O-N 3.1Å; T134-G136 VanDerWaalsContact C-N 3.34Å
137R54.7Low54.7Low124 Ų12490.1 Ų90.147%0.46846%0.46SS..  trans-82.5-24.5178.6-68.3-170.5-163.4178.13.7113.1Y120 A129 C132 S135Y120-R137 PolarHBondContact OH-NH1 3.04Å; Y120-R137 VanDerWaalsContact OH-NH1 3.1Å; A129-R137 WeakPolarHBondContact O-CD 3.5Å; C132-R137 PolarHBondContact O-N 2.78Å; S135-R137 PolarHBondContact O-N 2.82Å
138C48.7Very low52.2Low26 Ų2697.3 Ų97.318%0.17649%0.491CS..SBendtrans-99.8120.6167.4-167.60000109.7A131 C132 V133A131-C138 VanDerWaalsContact C-CB 3.47Å; A131-C138 WeakPolarHBondContact O-CB 3.32Å; C132-C138 PolarHBondContact O-N 3.49Å; C132-C138 VanDerWaalsContact O-N 3.13Å; V133-C138 HydrophobicContact CG2-CB 4.32Å
139V47.4Very low49.6Very low110 Ų110102.4 Ų102.467%0.66752%0.518SS*.  trans-101.8107.4171.5-176.80000107.3T141V139-T141 VanDerWaalsContact C-N 3.33Å; V139-T141 HydrophobicContact CG1-CG2 4.11Å; V139-T141 PolarHBondContact O-N 3.38Å
140V43.8Very low47.2Very low70 Ų70108.1 Ų108.142%0.42455%0.548SS..  trans-71.395.9166.8-176.10000106.6R142V140-R142 PolarHBondContact O-N 3.42Å
141T37.1Very low45.1Very low121 Ų121109.6 Ų109.674%0.74257%0.565SS**  trans-70.3100.4175.945.30000109.2V139V139-T141 VanDerWaalsContact C-N 3.33Å; V139-T141 HydrophobicContact CG1-CG2 4.11Å; V139-T141 PolarHBondContact O-N 3.38Å
142R37.5Very low42.8Very low96 Ų96115.4 Ų115.436%0.36260%0.599SS.*  trans-68.3122.8154.5-75.4-176170.5171-1.5107.8L87 V140 N144L87-R142 PolarHBondContact O-NH2 2.89Å; V140-R142 PolarHBondContact O-N 3.42Å; R142-N144 PolarHBondContact O-N 2.7Å
143Q32.8Very low40.6Very low188 Ų188124.5 Ų124.588%0.87964%0.642SS**SBendtrans-60.3120.1154.7-80.8-178.9-20.500105.9
144N31.1Very low38.6Very low144 Ų144129.5 Ų129.577%0.7766%0.657SS**SBendtrans72.7123.8-174.9-58.8-18.2000116.1R142R142-N144 PolarHBondContact O-N 2.7Å
145Q36.1Very low36.8Very low154 Ų154128.9 Ų128.972%0.7266%0.662SS**  trans80.1100.7178.3-56.8-174.2-1.400117.9
146R30.6Very low34.9Very low180 Ų180138.7 Ų138.768%0.67969%0.693SS**  trans-77.2111.4160.2-81.3-179.9166.7176.6-0.2109.6
147R29.4Very low33.5Very low237 Ų237140.7 Ų140.789%0.89471%0.706SS**  trans-129.2118.3142.7-99.5-172.8170.5-174.1-1.9109
148K31Very low32.2Very low174 Ų174142.4 Ų142.476%0.75773%0.725SS**  trans-77.2110168-76.6178.3173.9178.20107.4
149L27.9Very low31.2Very low170 Ų170149.6 Ų149.689%0.8976%0.755SS**  trans-8998162-89.2149.4000107.3
150N30.9Very low30.2Very low121 Ų121152.4 Ų152.465%0.64776%0.761SS**  trans-110.7119.9165.1-85.17.6000108.7
151A30.7Very low29.4Very low99 Ų99152.9 Ų152.982%0.81877%0.768SS**  trans58.7106.5144.200000118.9Q153A151-Q153 PolarHBondContact O-N 2.69Å
152V26.1Very low29.1Very low125 Ų125155.4 Ų155.476%0.75876%0.764SS**  trans-38120.9153.1-176.30000112.4F154V152-F154 HydrophobicContact CG1-CD2 4.41Å; V152-F154 HydrophobicContact CG1-CE2 4.3Å
153Q27.3Very low28.7Very low191 Ų191157.1 Ų157.189%0.89378%0.776SS**  trans-152130.2145.2-117.4175.1-3.300110.6A151A151-Q153 PolarHBondContact O-N 2.69Å
154F24.7Very low28.5Very low198 Ų198155.8 Ų155.887%0.86877%0.772SS**  trans-66129.8-175.8-77.7-107.4000112.4V152V152-F154 HydrophobicContact CG1-CD2 4.41Å; V152-F154 HydrophobicContact CG1-CE2 4.3Å
155A28Very low28.4Very low97 Ų97155 Ų15580%0.80277%0.772SS**  trans-168.7103.1144.500000111.2
156R23Very low28Very low247 Ų247152.4 Ų152.493%0.93276%0.763SS**  trans27.3128.8144.4-67.8179.1172165-2.8121.2
157A24.7Very low27.9Very low83 Ų83150.6 Ų150.669%0.68677%0.765SS**  trans66.4101.1135.500000117.4
158D27.8Very low27.9Very low160 Ų160145.7 Ų145.786%0.85675%0.752SS**  176.4168.998.8-80.2-27.2000109.5
159E26.6Very low27.8Very low176 Ų176140.5 Ų140.582%0.82274%0.738SS**  trans-79.7174-149.1-62.2178135.200116.8
160E26.8Very low27.8Very low169 Ų169138.5 Ų138.579%0.7973%0.733SS**  trans87.399.3161.1-55.6-173.4152.700117.2
161S27.8Very low27.7Very low80 Ų80136.3 Ų136.356%0.55972%0.724SS**  72.5134.296.5111.10000112.1
162R30.1Very low27.6Very low174 Ų174135.8 Ų135.866%0.65771%0.707SS**  cis-159.8142.214.8-103.4156.2168.2144-2.3106.4E411R162-E411 VanDerWaalsContact CZ-CD 3.41Å; R162-E411 IonicContact CZ-OE1 2.72Å; R162-E411 IonicContact CZ-OE2 3.75Å; R162-E411 IonicContact NE-OE1 3.57Å; R162-E411 PolarHBondContact NE-OE1 3.41Å; R162-E411 IonicContact NE-OE2 3.4Å; R162-E411 IonicContact NH1-OE1 3.5Å; R162-E411 PolarHBondContact NH1-OE1 3.21Å; R162-E411 IonicContact NH1-OE2 2.7Å; R162-E411 PolarHBondContact NH1-OE2 2.9Å; R162-E411 IonicContact NH2-OE1 3.35Å; R162-E411 PolarHBondContact NH2-OE1 2.88Å
163E28.5Very low27.8Very low132 Ų132133.1 Ų133.162%0.61769%0.688SS**  trans-82.4128174.4-83.6179.7141.200111.1R61 T165R61-E163 IonicContact CZ-OE2 2.76Å; R61-E163 IonicContact NH1-OE2 3.06Å; R61-E163 IonicContact NH2-OE2 3.38Å; R61-E163 PolarHBondContact NH2-OE2 3.24Å; E163-T165 PolarHBondContact O-N 3.49Å
164M29.1Very low28Very low160 Ų160127.3 Ų127.379%0.78866%0.663SS**  trans-69.5103.1171-162.3161.763.800109.4N166M164-N166 PolarHBondContact O-N 2.93Å
165T28.6Very low28.4Very low127 Ų127122.6 Ų122.678%0.77965%0.65SS**  trans-70.393.7172.433.20000109.6E163 I167E163-T165 PolarHBondContact O-N 3.49Å; T165-I167 PolarHBondContact O-N 3.32Å; T165-I167 VanDerWaalsContact O-N 3.11Å
166N28.6Very low28.8Very low101 Ų101124.7 Ų124.754%0.5464%0.644SS.*  trans-58.8115.7160.2-72.8-31000107.9M164 H168M164-N166 PolarHBondContact O-N 2.93Å; N166-H168 PolarHBondContact O-N 3.23Å
167I28.8Very low29.6Very low141 Ų141119.1 Ų119.172%0.72363%0.632SS**  trans-64.677.4170.5-65.7171.2000107.7T165T165-I167 PolarHBondContact O-N 3.32Å; T165-I167 VanDerWaalsContact O-N 3.11Å
168H30Very low30.9Very low134 Ų134124.1 Ų124.162%0.6263%0.633SS**  trans-96.2101.1162.6-72.9-58.5000106.1N166N166-H168 PolarHBondContact O-N 3.23Å
169S28Very low32.9Very low66 Ų66122.5 Ų122.546%0.46262%0.619SS.*  trans34.9103.3164.161.90000115.8V171S169-V171 PolarHBondContact O-N 3.04Å
170V27.8Very low35.5Very low128 Ų128116.7 Ų116.778%0.77660%0.601SS**  trans-65.981.3162.7-177.90000108.3L172V170-L172 HydrophobicContact CG1-CD1 4.03Å; V170-L172 HydrophobicContact CG1-CG 3.83Å
171V28.8Very low38.3Very low75 Ų75111.5 Ų111.546%0.45558%0.58SS.*  trans-95.983.8159.4-175.10000105.7S169 N173S169-V171 PolarHBondContact O-N 3.04Å; V171-N173 VanDerWaalsContact C-N 3.25Å; V171-N173 PolarHBondContact O-N 3Å
172L28.9Very low41.3Very low87 Ų87108.5 Ų108.546%0.45556%0.559SS.*  trans-61.993.5159.6-72.4164.1000106.6R79 V170 D174R79-L172 HydrophobicContact CG-CD2 4.28Å; V170-L172 HydrophobicContact CG1-CD1 4.03Å; V170-L172 HydrophobicContact CG1-CG 3.83Å; L172-D174 PolarHBondContact O-N 3.33Å
173N29.3Very low44.4Very low69 Ų69104.4 Ų104.437%0.36955%0.553SS.*THydrogen-bonded Turntrans-73.179.3159.6-62-64.2000107.6L82 V171L82-N173 HydrophobicContact CD1-CB 3.29Å; L82-N173 VanDerWaalsContact CD1-N 3.33Å; L82-N173 VanDerWaalsContact CD1-ND2 3.28Å; L82-N173 WeakPolarHBondContact CD1-ND2 3.46Å; L82-N173 HydrophobicContact CD2-CB 3.58Å; L82-N173 WeakPolarHBondContact CD2-ND2 2.74Å; L82-N173 HydrophobicContact CG-CB 3.89Å; L82-N173 WeakPolarHBondContact CG-ND2 3.31Å; V171-N173 VanDerWaalsContact C-N 3.25Å; V171-N173 PolarHBondContact O-N 3Å
174D31.7Very low47.5Very low69 Ų6998.3 Ų98.337%0.36953%0.525SS..THydrogen-bonded Turntrans-147.119.7149.4-141-16.9000113.8M19 L172M19-D174 WeakPolarHBondContact CE-OD1 3.27Å; L172-D174 PolarHBondContact O-N 3.33Å
175V32.8Very low50.7Low99 Ų9995.7 Ų95.760%0.651%0.509SS*.SBendtrans-109.966.7169.3-167.20000109.9N177 R178V175-N177 PolarHBondContact O-N 2.97Å; V175-R178 PolarHBondContact O-N 3.46Å; V175-R178 VanDerWaalsContact O-N 3.14Å
176Q37.3Very low53.8Low142 Ų14289.8 Ų89.866%0.66447%0.473SS*.THydrogen-bonded Turntrans32.145.9167.1-80.1-168.2-31.100116.1R178Q176-R178 HydrophobicContact CB-CG 4.06Å; Q176-R178 WeakPolarHBondContact O-CG 3.4Å; Q176-R178 PolarHBondContact O-N 2.98Å
177N40.3Very low56.8Low129 Ų12987.7 Ų87.769%0.6946%0.46SS*.THydrogen-bonded Turntrans33.341.7-177.4-138.1-0.7000114.3V175 K179V175-N177 PolarHBondContact O-N 2.97Å; N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 PolarHBondContact O-N 2.74Å
178R50.5Low59.7Low188 Ų18886.7 Ų86.771%0.70945%0.452SS*.  trans-77.888.3-173.4-72.1-170.6-176.3179.82.4107.6V175 Q176V175-R178 PolarHBondContact O-N 3.46Å; V175-R178 VanDerWaalsContact O-N 3.14Å; Q176-R178 HydrophobicContact CB-CG 4.06Å; Q176-R178 WeakPolarHBondContact O-CG 3.4Å; Q176-R178 PolarHBondContact O-N 2.98Å
179K69.9Low62.6Low126 Ų12686 Ų8655%0.54844%0.444SS..  trans-78.6120.2169.6-70-176.8177.2-169.20108N177 V181 L194N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 PolarHBondContact O-N 2.74Å; K179-V181 HydrophobicContact CB-CG2 4.05Å; K179-V181 PolarHBondContact O-N 3.26Å; K179-L194 HydrophobicContact CB-CD1 3.61Å; K179-L194 HydrophobicContact CD-CD1 4.02Å; K179-L194 HydrophobicContact CG-CD1 3.88Å
180A81.1Confident65.7Low54 Ų5491.2 Ų91.245%0.44646%0.458SS..  trans-65.6115.7165.300000107.2Y195A180-Y195 HydrophobicContact CB-CD1 4.22Å; A180-Y195 PolarHBondContact O-N 2.88Å
181V87.2Confident68.8Low60 Ų6086 Ų8636%0.36443%0.426SS..EExtended strand (participates in β ladder)trans-121.7127.6-179176.20000108.1K179 R192 M193K179-V181 HydrophobicContact CB-CG2 4.05Å; K179-V181 PolarHBondContact O-N 3.26Å; V181-R192 HydrophobicContact CG1-CB 3.85Å; V181-R192 HydrophobicContact CG1-CG 4.41Å; V181-M193 CarbonylContact C-O 3.49Å; V181-M193 VanDerWaalsContact CA-O 3.31Å; V181-M193 WeakPolarHBondContact CA-O 3.17Å; V181-M193 WeakPolarHBondContact CG1-O 3.45Å
182V91.1Very high71.9Confident18 Ų1891.2 Ų91.211%0.10944%0.437CS..EExtended strand (participates in β ladder)trans-101.7134.417262.80000109V184 M193 F244 F263V182-V184 HydrophobicContact CB-CG1 4.48Å; V182-V184 HydrophobicContact CG1-CG1 4.09Å; V182-V184 HydrophobicContact CG2-CG1 3.69Å; V182-M193 HydrophobicContact CG1-CB 4.11Å; V182-M193 PolarHBondContact N-O 2.93Å; V182-M193 PolarHBondContact O-N 3.19Å; V182-F244 HydrophobicContact CB-CZ 4.36Å; V182-F244 HydrophobicContact CG2-CE1 4.03Å; V182-F244 HydrophobicContact CG2-CE2 4.01Å; V182-F244 HydrophobicContact CG2-CZ 3.44Å; V182-F244 VanDerWaalsContact CG2-CZ 3.44Å; V182-F263 HydrophobicContact CG1-CB 3.71Å; V182-F263 HydrophobicContact CG1-CD2 3.59Å; V182-F263 HydrophobicContact CG1-CE2 4.39Å; V182-F263 HydrophobicContact CG1-CG 3.75Å
183T93.9Very high75Confident88 Ų8887 Ų8754%0.5442%0.416SS..EExtended strand (participates in β ladder)trans-97116.5169.7-56.70000108.3L191T183-L191 WeakPolarHBondContact CA-O 3.49Å
184V93.8Very high77.9Confident3 Ų385.8 Ų85.82%0.01841%0.409CS..EExtended strand (participates in β ladder)trans-119.9153.8-179.3-61.40000109.5V182 V186 K190 L191 M193 V241 A243 F263V182-V184 HydrophobicContact CB-CG1 4.48Å; V182-V184 HydrophobicContact CG1-CG1 4.09Å; V182-V184 HydrophobicContact CG2-CG1 3.69Å; V184-V186 HydrophobicContact CG2-CG2 3.7Å; V184-K190 CarbonylContact O-C 3.48Å; V184-K190 WeakPolarHBondContact O-CA 3.3Å; V184-L191 HydrophobicContact CG2-CB 4.32Å; V184-L191 PolarHBondContact N-O 3.16Å; V184-L191 PolarHBondContact O-N 2.7Å; V184-M193 HydrophobicContact CG2-CG 3.95Å; V184-M193 HydrophobicContact CG2-SD 3.5Å; V184-M193 WeakPolarHBondContact CG2-SD 3.48Å; V184-V241 HydrophobicContact CB-CG1 4.29Å; V184-A243 HydrophobicContact CB-CB 4.16Å; V184-A243 HydrophobicContact CG1-CB 3.51Å; V184-F263 HydrophobicContact CG1-CD2 4.07Å; V184-F263 HydrophobicContact CG1-CE2 3.97Å
185K95.5Very high80.8Confident106 Ų10685.7 Ų85.746%0.46140%0.404SS..EExtended strand (participates in β ladder)trans-98.4110.6167.7-176.8-176.5177.7-175.10108E187 R189 V241 N242K185-E187 WeakPolarHBondContact CE-O 3.38Å; K185-R189 CarbonylContact C-O 3.57Å; K185-R189 VanDerWaalsContact CA-O 3.3Å; K185-R189 WeakPolarHBondContact CA-O 3.48Å; K185-V241 CarbonylContact O-C 3.58Å; K185-V241 WeakPolarHBondContact O-CA 3.19Å; K185-N242 HydrophobicContact CB-CB 4.26Å; K185-N242 PolarHBondContact N-O 3.13Å; K185-N242 PolarHBondContact O-N 2.96Å
186V94.2Very high83.4Confident2 Ų283.7 Ų83.71%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-103.8121.3174.3-174.10000107.3V184 H188 R189 L191 L212 V239 V241 W267V184-V186 HydrophobicContact CG2-CG2 3.7Å; V186-H188 PolarHBondContact O-N 3.4Å; V186-H188 VanDerWaalsContact O-N 3.15Å; V186-R189 PolarHBondContact N-O 2.67Å; V186-R189 PolarHBondContact O-N 3.23Å; V186-R189 VanDerWaalsContact O-O 3.06Å; V186-L191 HydrophobicContact CB-CD1 3.91Å; V186-L191 HydrophobicContact CB-CG 4.44Å; V186-L191 HydrophobicContact CG2-CD1 3.79Å; V186-L191 HydrophobicContact CG2-CG 4.35Å; V186-L212 HydrophobicContact CB-CD1 4.5Å; V186-L212 HydrophobicContact CB-CD2 3.88Å; V186-L212 HydrophobicContact CG1-CD1 3.81Å; V186-L212 HydrophobicContact CG1-CD2 3.86Å; V186-L212 HydrophobicContact CG1-CG 4.48Å; V186-L212 WeakPolarHBondContact O-CD2 3.29Å; V186-V239 HydrophobicContact CG1-CB 3.81Å; V186-V239 HydrophobicContact CG1-CG1 4.22Å; V186-V239 HydrophobicContact CG1-CG2 3.88Å; V186-V241 HydrophobicContact CG1-CG2 4.23Å; V186-V241 HydrophobicContact CG2-CG1 4.35Å; V186-V241 HydrophobicContact CG2-CG2 4.18Å; V186-W267 HydrophobicContact CG2-CH2 4.07Å; V186-W267 HydrophobicContact CG2-CZ3 4.27Å
187E92.2Very high85.8Confident58 Ų5879 Ų7927%0.27137%0.372SS..THydrogen-bonded Turntrans51.7-116.5-169.7-64-61.6149.700111.1K185 V239 L240K185-E187 WeakPolarHBondContact CE-O 3.38Å; E187-V239 HydrophobicContact CG-CB 4.46Å; E187-V239 HydrophobicContact CG-CG1 4.45Å; E187-V239 WeakPolarHBondContact OE1-CA 3.27Å; E187-L240 PolarHBondContact N-O 3.19Å; E187-L240 PolarHBondContact OE1-N 3.43Å
188H89.4Confident87.8Confident120 Ų12076.3 Ų76.356%0.55637%0.374SS*.THydrogen-bonded Turntrans-98.51.7179.558.4-81.5000113.1V186 T211 L212V186-H188 PolarHBondContact O-N 3.4Å; V186-H188 VanDerWaalsContact O-N 3.15Å; H188-T211 PolarHBondContact NE2-O 3.32Å; H188-L212 PolarHBondContact CE1-O 3.49Å
189R91.2Very high89.5Confident120 Ų12068.3 Ų68.345%0.45335%0.348SS..EExtended strand (participates in β ladder)trans-115.3143.2-175.7-66.9-148.1175.9-131.30.1113.6K185 V186 T211 L212K185-R189 CarbonylContact C-O 3.57Å; K185-R189 VanDerWaalsContact CA-O 3.3Å; K185-R189 WeakPolarHBondContact CA-O 3.48Å; V186-R189 PolarHBondContact N-O 2.67Å; V186-R189 PolarHBondContact O-N 3.23Å; V186-R189 VanDerWaalsContact O-O 3.06Å; R189-T211 WeakPolarHBondContact CD-O 3.46Å; R189-T211 PolarHBondContact NE-O 2.94Å; R189-L212 HydrophobicContact CB-CD2 4.07Å
190K93.3Very high90.3Very high175 Ų17565.3 Ų65.376%0.76135%0.347SS*.EExtended strand (participates in β ladder)trans-83.5122.6166.5-69.1-175.9-179.4179.30109V184V184-K190 CarbonylContact O-C 3.48Å; V184-K190 WeakPolarHBondContact O-CA 3.3Å
191L92.8Very high90.8Very high18 Ų1865.9 Ų65.99%0.09434%0.34CS..EExtended strand (participates in β ladder)trans-115.2136.5176.7-64.6-176.6000110.2T183 V184 V186 M193 T208 L212T183-L191 WeakPolarHBondContact CA-O 3.49Å; V184-L191 HydrophobicContact CG2-CB 4.32Å; V184-L191 PolarHBondContact N-O 3.16Å; V184-L191 PolarHBondContact O-N 2.7Å; V186-L191 HydrophobicContact CB-CD1 3.91Å; V186-L191 HydrophobicContact CB-CG 4.44Å; V186-L191 HydrophobicContact CG2-CD1 3.79Å; V186-L191 HydrophobicContact CG2-CG 4.35Å; L191-M193 HydrophobicContact CB-CG 4.18Å; L191-T208 HydrophobicContact CD1-CG2 3.56Å; L191-T208 HydrophobicContact CD2-CG2 3.78Å; L191-T208 HydrophobicContact CG-CG2 4.36Å; L191-L212 HydrophobicContact CD1-CD1 4.2Å; L191-L212 HydrophobicContact CD1-CD2 4.05Å; L191-L212 HydrophobicContact CD1-CG 4.46Å
192R92.9Very high91.1Very high184 Ų18463 Ų6369%0.69432%0.323SS*.EExtended strand (participates in β ladder)trans-93.9112.3167.8-69.9-177.768.2-163.30.5107.6V181V181-R192 HydrophobicContact CG1-CB 3.85Å; V181-R192 HydrophobicContact CG1-CG 4.41Å
193M94Very high91.3Very high0 Ų062.7 Ų62.70%032%0.321CS..EExtended strand (participates in β ladder)trans-112.3141.3-178-53.7-174.977.900109.7V181 V182 V184 L191 Y195 V204 P261 L262 F263 W267V181-M193 CarbonylContact C-O 3.49Å; V181-M193 VanDerWaalsContact CA-O 3.31Å; V181-M193 WeakPolarHBondContact CA-O 3.17Å; V181-M193 WeakPolarHBondContact CG1-O 3.45Å; V182-M193 HydrophobicContact CG1-CB 4.11Å; V182-M193 PolarHBondContact N-O 2.93Å; V182-M193 PolarHBondContact O-N 3.19Å; V184-M193 HydrophobicContact CG2-CG 3.95Å; V184-M193 HydrophobicContact CG2-SD 3.5Å; V184-M193 WeakPolarHBondContact CG2-SD 3.48Å; L191-M193 HydrophobicContact CB-CG 4.18Å; M193-Y195 PolarHBondContact O-N 3.15Å; M193-V204 HydrophobicContact CE-CG1 4.14Å; M193-P261 CarbonylContact C-O 3.52Å; M193-P261 VanDerWaalsContact CA-O 3.31Å; M193-P261 WeakPolarHBondContact CA-O 3.31Å; M193-P261 HydrophobicContact CB-CB 4.26Å; M193-P261 HydrophobicContact CE-CB 3.87Å; M193-P261 HydrophobicContact CG-CB 3.83Å; M193-L262 WeakPolarHBondContact CE-O 3.39Å; M193-F263 HydrophobicContact CB-CB 4.08Å; M193-F263 HydrophobicContact SD-CD2 4.49Å; M193-W267 HydrophobicContact CE-CH2 4.3Å; M193-W267 HydrophobicContact CE-CZ3 3.98Å; M193-W267 HydrophobicContact SD-CE3 4.31Å; M193-W267 HydrophobicContact SD-CH2 4.24Å; M193-W267 HydrophobicContact SD-CZ3 3.55Å; M193-W267 VanDerWaalsContact SD-CZ3 3.55Å
194L91.6Very high91.3Very high43 Ų4358.6 Ų58.623%0.22530%0.296CS..EExtended strand (participates in β ladder)trans-67.8121.9170.5-174.669.9000108.1K179 D196 P261 L262 F263K179-L194 HydrophobicContact CB-CD1 3.61Å; K179-L194 HydrophobicContact CD-CD1 4.02Å; K179-L194 HydrophobicContact CG-CD1 3.88Å; L194-D196 PolarHBondContact O-N 3.45Å; L194-P261 PolarHBondContact N-O 2.81Å; L194-L262 HydrophobicContact CB-CD2 3.89Å; L194-L262 HydrophobicContact CD2-CD2 3.8Å; L194-L262 HydrophobicContact CG-CD2 4.33Å; L194-F263 PolarHBondContact O-N 3.09Å
195Y91.4Very high91.2Very high66 Ų6659.5 Ų59.526%0.25930%0.301SS..EExtended strand (participates in β ladder)trans-75.5105.5174.1-178.3-100000108.7A180 M193 P197 F263 C268 L273A180-Y195 HydrophobicContact CB-CD1 4.22Å; A180-Y195 PolarHBondContact O-N 2.88Å; M193-Y195 PolarHBondContact O-N 3.15Å; Y195-P197 HydrophobicContact CD1-CG 4Å; Y195-P197 HydrophobicContact CE1-CG 3.35Å; Y195-P197 HydrophobicContact CE2-CG 4.38Å; Y195-F263 AromaticContact CD2-CD1 3.88Å; Y195-F263 HydrophobicContact CD2-CD1 3.88Å; Y195-F263 HydrophobicContact CD2-CE1 4.46Å; Y195-F263 HydrophobicContact CD2-CG 4.47Å; Y195-F263 HydrophobicContact CE2-CD1 4.09Å; Y195-F263 HydrophobicContact CE2-CE1 4.31Å; Y195-C268 WeakPolarHBondContact CE2-SG 3.24Å; Y195-L273 HydrophobicContact CE2-CD1 3.58Å
196D88.7Confident91.1Very high57 Ų5758 Ų5831%0.30529%0.294SS..  trans-13583.9-175.1-172.12.3000111L194 G198 A199 F263 G264L194-D196 PolarHBondContact O-N 3.45Å; D196-G198 PolarHBondContact O-N 2.8Å; D196-G198 VanDerWaalsContact O-N 3.09Å; D196-G198 WeakPolarHBondContact OD1-CA 3.37Å; D196-G198 PolarHBondContact OD1-N 2.98Å; D196-A199 HydrophobicContact CB-CB 4.43Å; D196-A199 PolarHBondContact O-N 3.15Å; D196-A199 VanDerWaalsContact O-N 3.08Å; D196-A199 PolarHBondContact OD1-N 3.22Å; D196-F263 CarbonylContact C-O 3.51Å; D196-F263 PolarHBondContact N-O 3.38Å; D196-G264 WeakPolarHBondContact O-CA 3.41Å
197P86.2Confident91Very high45 Ų4560.7 Ų60.729%0.29232%0.316SS..THydrogen-bonded Turntrans-62.9-9.5172.9-2032.6000114.2Y195 F275Y195-P197 HydrophobicContact CD1-CG 4Å; Y195-P197 HydrophobicContact CE1-CG 3.35Å; Y195-P197 HydrophobicContact CE2-CG 4.38Å; P197-F275 HydrophobicContact CB-CE1 4.26Å
198G83.5Confident91Very high71 Ų7158.9 Ų58.973%0.73231%0.309SS*.THydrogen-bonded Turntrans-78.3-22.7173.500000113D196D196-G198 PolarHBondContact O-N 2.8Å; D196-G198 VanDerWaalsContact O-N 3.09Å; D196-G198 WeakPolarHBondContact OD1-CA 3.37Å; D196-G198 PolarHBondContact OD1-N 2.98Å
199A86.2Confident91.2Very high20 Ų2054.7 Ų54.717%0.16529%0.289CS..SBendtrans-78.9124.9170.200000109.9D196 H201 L262 G264 L265D196-A199 HydrophobicContact CB-CB 4.43Å; D196-A199 PolarHBondContact O-N 3.15Å; D196-A199 VanDerWaalsContact O-N 3.08Å; D196-A199 PolarHBondContact OD1-N 3.22Å; A199-H201 PolarHBondContact O-N 2.84Å; A199-L262 HydrophobicContact CB-CD1 4.14Å; A199-G264 CarbonylContact O-C 3.56Å; A199-G264 WeakPolarHBondContact O-CA 3.24Å; A199-L265 WeakPolarHBondContact O-CB 3.32Å; A199-L265 PolarHBondContact O-N 3.11Å
200A86.4Confident91.3Very high64 Ų6452.4 Ų52.453%0.52929%0.285SS..SBendtrans-62.4-29.1178.600000112.9D266A200-D266 PolarHBondContact O-N 3.41Å
201H91.5Very high91.2Very high65 Ų6546.6 Ų46.630%0.30126%0.264SS..SBendtrans-129.3149.6-173.3-65.4-53.7000112.2A199 L223 Y253 D266A199-H201 PolarHBondContact O-N 2.84Å; H201-L223 HydrophobicContact CB-CD2 4.48Å; H201-Y253 HydrophobicContact CB-CD2 3.6Å; H201-Y253 HydrophobicContact CB-CE2 3.57Å; H201-Y253 AromaticContact CD2-CE2 3.44Å; H201-Y253 VanDerWaalsContact CD2-CE2 3.44Å; H201-Y253 WeakPolarHBondContact CD2-CE2 3.18Å; H201-Y253 AromaticContact CD2-CZ 3.61Å; H201-Y253 PolarHBondContact CD2-OH 2.89Å; H201-Y253 AromaticContact CE1-CE2 3.85Å; H201-Y253 AromaticContact CG-CD2 3.82Å; H201-Y253 AromaticContact CG-CE2 3.21Å; H201-Y253 AromaticContact CG-CZ 3.9Å; H201-Y253 AromaticContact ND1-CE2 3.49Å; H201-Y253 WeakPolarHBondContact ND1-CE2 3.37Å; H201-Y253 AromaticContact NE2-CE2 3.81Å; H201-Y253 AromaticContact NE2-CZ 3.81Å; H201-Y253 PolarHBondContact NE2-OH 3.41Å; H201-D266 WeakPolarHBondContact CA-OD2 3.47Å; H201-D266 IonicContact ND1-OD2 2.67Å
202S94.3Very high91.1Very high0 Ų046 Ų460%026%0.261CS..  trans-82.1134.1171-63.70000110.1V252 Y253 L262 G264 D266 W267S202-V252 WeakPolarHBondContact O-CG2 3.37Å; S202-Y253 PolarHBondContact O-N 3.42Å; S202-L262 VanDerWaalsContact CA-O 3.24Å; S202-L262 WeakPolarHBondContact CA-O 3.26Å; S202-L262 WeakPolarHBondContact CB-O 3.38Å; S202-G264 PolarHBondContact OG-N 3.07Å; S202-D266 WeakPolarHBondContact CB-OD1 3.38Å; S202-D266 VanDerWaalsContact N-CG 3.28Å; S202-D266 PolarHBondContact N-OD1 2.93Å; S202-D266 PolarHBondContact N-OD2 3.04Å; S202-D266 PolarHBondContact OG-OD1 3.42Å; S202-W267 WeakPolarHBondContact OG-CB 3.41Å; S202-W267 VanDerWaalsContact OG-CD1 3.23Å
203V93.6Very high91.1Very high12 Ų1239.9 Ų39.97%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-131.7140.8-168.2-174.50000110.3L223 Y253 V255 P261 L262V203-L223 HydrophobicContact CG2-CD1 3.63Å; V203-Y253 CarbonylContact C-O 3.53Å; V203-Y253 WeakPolarHBondContact CA-O 3.44Å; V203-V255 HydrophobicContact CG1-CB 4.3Å; V203-V255 HydrophobicContact CG1-CG1 3.64Å; V203-V255 HydrophobicContact CG1-CG2 3.68Å; V203-P261 CarbonylContact O-C 3.48Å; V203-P261 VanDerWaalsContact O-CA 3.24Å; V203-P261 WeakPolarHBondContact O-CA 3.05Å; V203-L262 HydrophobicContact CB-CB 4.36Å; V203-L262 PolarHBondContact N-O 3.5Å; V203-L262 VanDerWaalsContact N-O 3.1Å; V203-L262 PolarHBondContact O-N 3.17Å
204V93.9Very high91Very high2 Ų247.4 Ų47.41%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-129.2151.3167.9-66.30000110M193 T208 W209 V252 Y253 V254 V255 P261M193-V204 HydrophobicContact CE-CG1 4.14Å; V204-T208 HydrophobicContact CB-CG2 3.99Å; V204-T208 HydrophobicContact CG1-CG2 3.97Å; V204-W209 HydrophobicContact CG2-CB 4.41Å; V204-V252 HydrophobicContact CB-CG2 4.38Å; V204-V252 HydrophobicContact CG1-CG2 3.87Å; V204-V252 HydrophobicContact CG2-CG1 4.21Å; V204-V252 HydrophobicContact CG2-CG2 3.94Å; V204-Y253 PolarHBondContact N-O 3.35Å; V204-V254 HydrophobicContact CG2-CG2 3.97Å; V204-V254 WeakPolarHBondContact O-CA 3.11Å; V204-V255 PolarHBondContact O-N 3.36Å; V204-P261 HydrophobicContact CG1-CB 4.2Å
205D92.6Very high91.1Very high22 Ų2246.5 Ų46.512%0.11828%0.28CS..EExtended strand (participates in β ladder)trans-77.3163.2172.768.8-1.9000112.2A207 T208 W209 G257D205-A207 PolarHBondContact O-N 3.35Å; D205-T208 PolarHBondContact O-N 2.83Å; D205-T208 VanDerWaalsContact O-N 3.15Å; D205-T208 WeakPolarHBondContact OD1-CA 3.38Å; D205-T208 WeakPolarHBondContact OD1-CB 3.39Å; D205-T208 PolarHBondContact OD1-N 3.35Å; D205-T208 PolarHBondContact OD1-OG1 3.31Å; D205-W209 PolarHBondContact O-N 2.99Å; D205-G257 VanDerWaalsContact CB-O 3.27Å; D205-G257 WeakPolarHBondContact CB-O 3.44Å
206K92.5Very high91.2Very high73 Ų7347.6 Ų47.632%0.31730%0.302SS..Hα-helixtrans-52.5-38.3175.3-175.4173.7-170.6167.90113.3W209 I210 M234 V255 D256K206-W209 PolarHBondContact O-N 3.38Å; K206-I210 HydrophobicContact CG-CD1 4.28Å; K206-I210 VanDerWaalsContact O-CG1 3.27Å; K206-I210 WeakPolarHBondContact O-CG1 3.33Å; K206-I210 PolarHBondContact O-N 3.03Å; K206-M234 HydrophobicContact CB-SD 3.77Å; K206-M234 HydrophobicContact CD-CE 4.18Å; K206-M234 HydrophobicContact CD-SD 3.6Å; K206-M234 VanDerWaalsContact CD-SD 3.6Å; K206-M234 HydrophobicContact CG-CE 4.11Å; K206-M234 HydrophobicContact CG-SD 3.59Å; K206-M234 VanDerWaalsContact CG-SD 3.59Å; K206-V255 PolarHBondContact N-O 3.41Å; K206-D256 WeakPolarHBondContact CD-OD1 3.38Å; K206-D256 IonicContact NZ-OD1 2.77Å; K206-D256 PolarHBondContact NZ-OD1 3.34Å; K206-D256 VanDerWaalsContact NZ-OD1 3.16Å; K206-D256 IonicContact NZ-OD2 3.13Å; K206-D256 PolarHBondContact NZ-OD2 3.5Å
207A92Very high91.5Very high59 Ų5947.8 Ų47.849%0.48830%0.303SS..Hα-helixtrans-64.1-47.6178.500000111.1D205 I210 T211D205-A207 PolarHBondContact O-N 3.35Å; A207-I210 PolarHBondContact O-N 2.75Å; A207-T211 WeakPolarHBondContact O-CG2 3.41Å; A207-T211 PolarHBondContact O-N 3.49Å; A207-T211 VanDerWaalsContact O-N 3.12Å
208T92.4Very high91.8Very high20 Ų2051.3 Ų51.312%0.12331%0.314CS..Hα-helixtrans-61.9-46.3176.2-60.10000110.7L191 V204 D205 I210 T211 L212L191-T208 HydrophobicContact CD1-CG2 3.56Å; L191-T208 HydrophobicContact CD2-CG2 3.78Å; L191-T208 HydrophobicContact CG-CG2 4.36Å; V204-T208 HydrophobicContact CB-CG2 3.99Å; V204-T208 HydrophobicContact CG1-CG2 3.97Å; D205-T208 PolarHBondContact O-N 2.83Å; D205-T208 VanDerWaalsContact O-N 3.15Å; D205-T208 WeakPolarHBondContact OD1-CA 3.38Å; D205-T208 WeakPolarHBondContact OD1-CB 3.39Å; D205-T208 PolarHBondContact OD1-N 3.35Å; D205-T208 PolarHBondContact OD1-OG1 3.31Å; T208-I210 VanDerWaalsContact C-N 3.3Å; T208-I210 PolarHBondContact O-N 2.97Å; T208-T211 CarbonylContact O-C 3.56Å; T208-T211 WeakPolarHBondContact O-CA 3.29Å; T208-T211 PolarHBondContact O-N 3.35Å; T208-T211 PolarHBondContact O-OG1 3.48Å; T208-L212 HydrophobicContact CG2-CD1 4.24Å; T208-L212 HydrophobicContact CG2-CG 4.39Å; T208-L212 WeakPolarHBondContact O-CG 3.38Å; T208-L212 PolarHBondContact O-N 3.48Å
209W94.2Very high92.1Very high32 Ų3257.2 Ų57.212%0.12132%0.323CS..Hα-helixtrans-56.6-40.9176.6172.977.5000113V204 D205 K206 T211 L212 R214 P215 L217 M234 V254V204-W209 HydrophobicContact CG2-CB 4.41Å; D205-W209 PolarHBondContact O-N 2.99Å; K206-W209 PolarHBondContact O-N 3.38Å; W209-T211 VanDerWaalsContact C-N 3.34Å; W209-T211 PolarHBondContact O-N 3.01Å; W209-L212 PolarHBondContact O-N 2.93Å; W209-R214 HydrophobicContact CE3-CG 4.35Å; W209-R214 HydrophobicContact CH2-CB 3.77Å; W209-R214 HydrophobicContact CH2-CG 3.93Å; W209-R214 HydrophobicContact CZ2-CB 3.69Å; W209-R214 HydrophobicContact CZ2-CG 4.28Å; W209-R214 HydrophobicContact CZ3-CB 4.28Å; W209-R214 HydrophobicContact CZ3-CG 3.97Å; W209-R214 PolarHBondContact O-N 3.32Å; W209-P215 PolarHBondContact NE1-O 3.28Å; W209-L217 HydrophobicContact CH2-CD1 4.22Å; W209-L217 HydrophobicContact CZ2-CD1 3.83Å; W209-L217 HydrophobicContact CZ2-CG 3.85Å; W209-M234 HydrophobicContact CE3-CE 4.44Å; W209-M234 HydrophobicContact CZ3-CE 4.28Å; W209-V254 HydrophobicContact CB-CG1 3.59Å; W209-V254 HydrophobicContact CB-CG2 4.08Å; W209-V254 HydrophobicContact CD2-CG1 4.25Å; W209-V254 HydrophobicContact CG-CB 4.46Å; W209-V254 HydrophobicContact CG-CG1 3.74Å; W209-V254 HydrophobicContact CG-CG2 3.89Å
210I92.5Very high92.2Very high73 Ų7357.1 Ų57.137%0.37432%0.322SS..Hα-helixtrans-60.9-44.3173-68.8164.1000110.7K206 A207 T208 L212 G213 R214K206-I210 HydrophobicContact CG-CD1 4.28Å; K206-I210 VanDerWaalsContact O-CG1 3.27Å; K206-I210 WeakPolarHBondContact O-CG1 3.33Å; K206-I210 PolarHBondContact O-N 3.03Å; A207-I210 PolarHBondContact O-N 2.75Å; T208-I210 VanDerWaalsContact C-N 3.3Å; T208-I210 PolarHBondContact O-N 2.97Å; I210-L212 PolarHBondContact O-N 2.98Å; I210-G213 PolarHBondContact O-N 3.1Å; I210-G213 VanDerWaalsContact O-N 3.15Å; I210-R214 HydrophobicContact CG1-CG 4.44Å
211T91.4Very high92Very high52 Ų5258.5 Ų58.532%0.31933%0.325SS..Hα-helixtrans-68-22.7-18068.10000114H188 R189 A207 T208 W209 G213H188-T211 PolarHBondContact NE2-O 3.32Å; R189-T211 WeakPolarHBondContact CD-O 3.46Å; R189-T211 PolarHBondContact NE-O 2.94Å; A207-T211 WeakPolarHBondContact O-CG2 3.41Å; A207-T211 PolarHBondContact O-N 3.49Å; A207-T211 VanDerWaalsContact O-N 3.12Å; T208-T211 CarbonylContact O-C 3.56Å; T208-T211 WeakPolarHBondContact O-CA 3.29Å; T208-T211 PolarHBondContact O-N 3.35Å; T208-T211 PolarHBondContact O-OG1 3.48Å; W209-T211 VanDerWaalsContact C-N 3.34Å; W209-T211 PolarHBondContact O-N 3.01Å; T211-G213 PolarHBondContact O-N 3.02Å
212L92.1Very high91.5Very high6 Ų659.9 Ų59.93%0.03134%0.335CS..THydrogen-bonded Turntrans-77.5-2.3175.1-68.1176.4000113.3V186 H188 R189 L191 T208 W209 I210V186-L212 HydrophobicContact CB-CD1 4.5Å; V186-L212 HydrophobicContact CB-CD2 3.88Å; V186-L212 HydrophobicContact CG1-CD1 3.81Å; V186-L212 HydrophobicContact CG1-CD2 3.86Å; V186-L212 HydrophobicContact CG1-CG 4.48Å; V186-L212 WeakPolarHBondContact O-CD2 3.29Å; H188-L212 PolarHBondContact CE1-O 3.49Å; R189-L212 HydrophobicContact CB-CD2 4.07Å; L191-L212 HydrophobicContact CD1-CD1 4.2Å; L191-L212 HydrophobicContact CD1-CD2 4.05Å; L191-L212 HydrophobicContact CD1-CG 4.46Å; T208-L212 HydrophobicContact CG2-CD1 4.24Å; T208-L212 HydrophobicContact CG2-CG 4.39Å; T208-L212 WeakPolarHBondContact O-CG 3.38Å; T208-L212 PolarHBondContact O-N 3.48Å; W209-L212 PolarHBondContact O-N 2.93Å; I210-L212 PolarHBondContact O-N 2.98Å
213G91.7Very high90.9Very high55 Ų5561.2 Ų61.257%0.56734%0.342SS*.THydrogen-bonded Turntrans95.917.6-179.100000114I210 T211I210-G213 PolarHBondContact O-N 3.1Å; I210-G213 VanDerWaalsContact O-N 3.15Å; T211-G213 PolarHBondContact O-N 3.02Å
214R92.6Very high90Very high159 Ų15964.9 Ų64.960%0.636%0.364SS*.  trans53.954.6179.1-56.9178.1-177.6-154.4-0.2113.2W209 I210 A216W209-R214 HydrophobicContact CE3-CG 4.35Å; W209-R214 HydrophobicContact CH2-CB 3.77Å; W209-R214 HydrophobicContact CH2-CG 3.93Å; W209-R214 HydrophobicContact CZ2-CB 3.69Å; W209-R214 HydrophobicContact CZ2-CG 4.28Å; W209-R214 HydrophobicContact CZ3-CB 4.28Å; W209-R214 HydrophobicContact CZ3-CG 3.97Å; W209-R214 PolarHBondContact O-N 3.32Å; I210-R214 HydrophobicContact CG1-CG 4.44Å; R214-A216 PolarHBondContact O-N 3.06Å
215P93.4Very high89Confident23 Ų2366.5 Ų66.515%0.14938%0.378CS..PPolyproline II helixtrans-54142.517525.3-34.7000110.4W209 L217 A237 V239W209-P215 PolarHBondContact NE1-O 3.28Å; P215-L217 PolarHBondContact O-N 2.88Å; P215-A237 HydrophobicContact CB-CB 3.99Å; P215-A237 HydrophobicContact CG-CB 3.71Å; P215-V239 HydrophobicContact CB-CG1 4.35Å; P215-V239 HydrophobicContact CG-CG1 3.93Å
216A94.3Very high87.6Confident89 Ų8974.7 Ų74.774%0.73641%0.408SS*.PPolyproline II helixtrans-56.4130.5-17200000111.7R214R214-A216 PolarHBondContact O-N 3.06Å
217L94.2Very high85.9Confident61 Ų6176 Ų7632%0.31942%0.422SS..EExtended strand (participates in β ladder)trans-87.7129.9178.2-67.1173000110.2W209 P215 M234 K236 A237 V254W209-L217 HydrophobicContact CH2-CD1 4.22Å; W209-L217 HydrophobicContact CZ2-CD1 3.83Å; W209-L217 HydrophobicContact CZ2-CG 3.85Å; P215-L217 PolarHBondContact O-N 2.88Å; L217-M234 HydrophobicContact CD1-CB 3.99Å; L217-M234 HydrophobicContact CD1-CE 4.1Å; L217-K236 CarbonylContact C-O 3.5Å; L217-K236 WeakPolarHBondContact CA-O 3.38Å; L217-A237 HydrophobicContact CD2-CB 4.13Å; L217-V254 HydrophobicContact CD2-CB 3.9Å; L217-V254 HydrophobicContact CD2-CG2 3.6Å
218K93Very high84.4Confident120 Ų12079.7 Ų79.752%0.52243%0.434SS..EExtended strand (participates in β ladder)trans-97.1149.3164.1-62.8177.4-175.6171.20108.8G235 K236K218-G235 CarbonylContact O-C 3.6Å; K218-G235 WeakPolarHBondContact O-CA 3.48Å; K218-K236 PolarHBondContact N-O 3.45Å; K218-K236 PolarHBondContact O-N 3.44Å
219E89.4Confident83.2Confident195 Ų19582.8 Ų82.891%0.91145%0.453SS*.PPolyproline II helixtrans-57.6139.3175-169.8175.6177.700110.8
220A87.4Confident82.2Confident18 Ų1885.8 Ų85.815%0.14948%0.476CS..  trans-147.3148.1178.900000109.4T233 K236 Y253A220-T233 HydrophobicContact CB-CG2 4.36Å; A220-K236 HydrophobicContact CB-CB 4.33Å; A220-K236 HydrophobicContact CB-CD 3.74Å; A220-K236 HydrophobicContact CB-CG 3.6Å; A220-Y253 HydrophobicContact CB-CD1 4.2Å; A220-Y253 HydrophobicContact CB-CE1 3.77Å
221P82.8Confident81.4Confident93 Ų9383.4 Ų83.460%0.60447%0.465SS*.PPolyproline II helixtrans-63.3150175.227.4-34.2000110.6L223P221-L223 PolarHBondContact O-N 3.46Å
222D82.1Confident81Confident94 Ų9487.1 Ų87.150%0.50348%0.479SS..PPolyproline II helixtrans-58.5128.3172.5-81-34.2000110.4T233D222-T233 WeakPolarHBondContact OD1-CB 3.16Å; D222-T233 PolarHBondContact OD1-N 2.94Å
223L81.7Confident80.8Confident28 Ų2887.6 Ų87.615%0.14748%0.482CS..EExtended strand (participates in β ladder)trans-67.4148171.1-66.5178.3000109.7H201 V203 P221 V231 T233 Y253 V255H201-L223 HydrophobicContact CB-CD2 4.48Å; V203-L223 HydrophobicContact CG2-CD1 3.63Å; P221-L223 PolarHBondContact O-N 3.46Å; L223-V231 HydrophobicContact CB-CB 4.19Å; L223-V231 WeakPolarHBondContact O-CB 3.45Å; L223-V231 PolarHBondContact O-N 3.44Å; L223-T233 PolarHBondContact N-OG1 3.05Å; L223-Y253 HydrophobicContact CD1-CD1 3.76Å; L223-Y253 HydrophobicContact CD1-CE1 4.42Å; L223-Y253 HydrophobicContact CD1-CG 3.8Å; L223-Y253 HydrophobicContact CD2-CD1 3.78Å; L223-Y253 HydrophobicContact CD2-CE1 3.56Å; L223-Y253 HydrophobicContact CD2-CE2 4.3Å; L223-Y253 HydrophobicContact CD2-CG 4.23Å; L223-Y253 HydrophobicContact CG-CD1 3.68Å; L223-Y253 HydrophobicContact CG-CE1 3.91Å; L223-Y253 HydrophobicContact CG-CG 4.21Å; L223-V255 HydrophobicContact CD1-CG1 4.22Å
224V74.8Confident80.7Confident89 Ų8987.9 Ų87.954%0.53947%0.47SS..EExtended strand (participates in β ladder)trans-116.2122.7174.6-177.90000107.3
225A71.7Confident80.7Confident36 Ų3680.4 Ų80.430%0.29844%0.441SS..  trans-63.3158.6172.900000109.7T227 N228 V229 V231A225-T227 PolarHBondContact O-N 3.02Å; A225-N228 PolarHBondContact O-N 3.22Å; A225-V229 PolarHBondContact N-O 3.12Å; A225-V231 HydrophobicContact CB-CG2 4.04Å
226Y63.9Low80.8Confident194 Ų19481.1 Ų81.176%0.76144%0.442SS*.THydrogen-bonded Turntrans-51.5-23.3176.1-179-95.9000113.5N228Y226-N228 VanDerWaalsContact C-N 3.32Å; Y226-N228 PolarHBondContact O-N 3.39Å
227T57.3Low80.8Confident99 Ų9976.9 Ų76.961%0.60741%0.408SS*.THydrogen-bonded Turntrans-84.712.6177.253.10000115.1A225 V229A225-T227 PolarHBondContact O-N 3.02Å; T227-V229 PolarHBondContact O-N 3.14Å
228N60Low80.9Confident138 Ų13878.7 Ų78.774%0.73841%0.414SS*.SBendtrans58.321.3-173-71.6-23000114.4A225 Y226A225-N228 PolarHBondContact O-N 3.22Å; Y226-N228 VanDerWaalsContact C-N 3.32Å; Y226-N228 PolarHBondContact O-N 3.39Å
229V67.7Low81.1Confident85 Ų8573 Ų7352%0.51539%0.389SS..  trans-88122.5172.61800000108.2A225 T227 V231A225-V229 PolarHBondContact N-O 3.12Å; T227-V229 PolarHBondContact O-N 3.14Å; V229-V231 PolarHBondContact O-N 3.43Å
230P71.5Confident81.4Confident94 Ų9466.9 Ų66.961%0.6136%0.363SS*.EExtended strand (participates in β ladder)trans-60.9131.9173-19.431.1000110.3
231V77.3Confident81.8Confident24 Ų2466 Ų6615%0.14536%0.356CS..EExtended strand (participates in β ladder)trans-102.7113.5174.1-176.80000107L223 A225 V229 T233 V255L223-V231 HydrophobicContact CB-CB 4.19Å; L223-V231 WeakPolarHBondContact O-CB 3.45Å; L223-V231 PolarHBondContact O-N 3.44Å; A225-V231 HydrophobicContact CB-CG2 4.04Å; V229-V231 PolarHBondContact O-N 3.43Å; V231-T233 PolarHBondContact O-N 3.3Å; V231-T233 PolarHBondContact O-OG1 3.46Å; V231-V255 HydrophobicContact CG1-CB 3.85Å; V231-V255 HydrophobicContact CG1-CG1 3.59Å; V231-V255 HydrophobicContact CG1-CG2 4.44Å
232Q82.4Confident82.4Confident129 Ų12965.1 Ų65.160%0.60335%0.346SS*.  trans-59.4107.8-177.1-172.1177.9-0.100110.2V255 D256Q232-V255 WeakPolarHBondContact O-CA 3.33Å; Q232-D256 HydrophobicContact CG-CB 4.29Å; Q232-D256 PolarHBondContact O-N 2.91Å
233T87.5Confident82.9Confident17 Ų1760.8 Ų60.810%0.10432%0.323CS..EExtended strand (participates in β ladder)trans-99.7123.7-172.3-62.40000109.1A220 D222 L223 V231 G235 Y253A220-T233 HydrophobicContact CB-CG2 4.36Å; D222-T233 WeakPolarHBondContact OD1-CB 3.16Å; D222-T233 PolarHBondContact OD1-N 2.94Å; L223-T233 PolarHBondContact N-OG1 3.05Å; V231-T233 PolarHBondContact O-N 3.3Å; V231-T233 PolarHBondContact O-OG1 3.46Å; T233-G235 VanDerWaalsContact C-N 3.31Å; T233-Y253 HydrophobicContact CG2-CD1 3.73Å; T233-Y253 HydrophobicContact CG2-CE1 4.35Å
234M90.4Very high83.4Confident61 Ų6164.5 Ų64.530%0.334%0.338SS..EExtended strand (participates in β ladder)trans-77-22175.9-63179.858.200112.3K206 W209 L217 V254 D256K206-M234 HydrophobicContact CB-SD 3.77Å; K206-M234 HydrophobicContact CD-CE 4.18Å; K206-M234 HydrophobicContact CD-SD 3.6Å; K206-M234 VanDerWaalsContact CD-SD 3.6Å; K206-M234 HydrophobicContact CG-CE 4.11Å; K206-M234 HydrophobicContact CG-SD 3.59Å; K206-M234 VanDerWaalsContact CG-SD 3.59Å; W209-M234 HydrophobicContact CE3-CE 4.44Å; W209-M234 HydrophobicContact CZ3-CE 4.28Å; L217-M234 HydrophobicContact CD1-CB 3.99Å; L217-M234 HydrophobicContact CD1-CE 4.1Å; M234-V254 HydrophobicContact CB-CB 4.33Å; M234-V254 HydrophobicContact CB-CG1 4.23Å; M234-V254 WeakPolarHBondContact CB-O 3.25Å; M234-V254 PolarHBondContact N-O 2.91Å; M234-V254 HydrophobicContact SD-CG1 3.96Å; M234-D256 HydrophobicContact CG-CB 4.02Å; M234-D256 HydrophobicContact SD-CB 4.28Å
235G92.5Very high84Confident1 Ų164 Ų641%0.0135%0.352CS..EExtended strand (participates in β ladder)trans141.1-164-179.500000112.1K218 T233 V254K218-G235 CarbonylContact O-C 3.6Å; K218-G235 WeakPolarHBondContact O-CA 3.48Å; T233-G235 VanDerWaalsContact C-N 3.31Å; G235-V254 PolarHBondContact O-N 2.94Å
236K94.5Very high85Confident38 Ų3866.3 Ų66.317%0.16536%0.355CS..EExtended strand (participates in β ladder)trans-116139.4173.1-74.4164175.7-167.50111.2L217 K218 A220 E251 V252 Y253L217-K236 CarbonylContact C-O 3.5Å; L217-K236 WeakPolarHBondContact CA-O 3.38Å; K218-K236 PolarHBondContact N-O 3.45Å; K218-K236 PolarHBondContact O-N 3.44Å; A220-K236 HydrophobicContact CB-CB 4.33Å; A220-K236 HydrophobicContact CB-CD 3.74Å; A220-K236 HydrophobicContact CB-CG 3.6Å; K236-E251 IonicContact NZ-OE2 3.76Å; K236-V252 CarbonylContact C-O 3.5Å; K236-V252 VanDerWaalsContact CA-O 3.32Å; K236-V252 WeakPolarHBondContact CA-O 3.21Å; K236-Y253 HydrophobicContact CD-CE1 4.32Å; K236-Y253 HydrophobicContact CD-CE2 4.18Å; K236-Y253 VanDerWaalsContact CE-CE1 3.46Å; K236-Y253 WeakPolarHBondContact CE-OH 3.42Å; K236-Y253 HydrophobicContact CG-CD1 3.93Å; K236-Y253 HydrophobicContact CG-CD2 3.96Å; K236-Y253 HydrophobicContact CG-CE1 3.98Å; K236-Y253 HydrophobicContact CG-CE2 4.04Å; K236-Y253 HydrophobicContact CG-CG 3.96Å; K236-Y253 PolarHBondContact NZ-OH 2.72Å
237A95.3Very high86.5Confident1 Ų160.3 Ų60.31%0.00834%0.339CS..EExtended strand (participates in β ladder)trans-113.5141170.500000110.5P215 L217 V239 E251 V252 V254P215-A237 HydrophobicContact CB-CB 3.99Å; P215-A237 HydrophobicContact CG-CB 3.71Å; L217-A237 HydrophobicContact CD2-CB 4.13Å; A237-V239 HydrophobicContact CB-CG1 4.43Å; A237-E251 CarbonylContact O-C 3.46Å; A237-E251 WeakPolarHBondContact O-CA 3.19Å; A237-V252 HydrophobicContact CB-CG1 4.2Å; A237-V252 PolarHBondContact N-O 3.13Å; A237-V252 PolarHBondContact O-N 2.77Å; A237-V254 HydrophobicContact CB-CG2 4.43Å
238E96Very high88.3Confident98 Ų9861 Ų6146%0.45833%0.33SS..EExtended strand (participates in β ladder)trans-85.2125.6168.5-171.2177.7-107.200109.2R249E238-R249 HydrophobicContact CG-CG 3.48Å; E238-R249 VanDerWaalsContact CG-CG 3.48Å; E238-R249 WeakPolarHBondContact OE2-CD 3.4Å
239V96Very high89.9Confident0 Ų061.8 Ų61.80%032%0.323CS..EExtended strand (participates in β ladder)trans-132.5145.8-175.2-680000111.7V186 E187 P215 A237 V241 R249 V250 V252 W267V186-V239 HydrophobicContact CG1-CB 3.81Å; V186-V239 HydrophobicContact CG1-CG1 4.22Å; V186-V239 HydrophobicContact CG1-CG2 3.88Å; E187-V239 HydrophobicContact CG-CB 4.46Å; E187-V239 HydrophobicContact CG-CG1 4.45Å; E187-V239 WeakPolarHBondContact OE1-CA 3.27Å; P215-V239 HydrophobicContact CB-CG1 4.35Å; P215-V239 HydrophobicContact CG-CG1 3.93Å; A237-V239 HydrophobicContact CB-CG1 4.43Å; V239-V241 HydrophobicContact CG2-CG2 3.82Å; V239-R249 WeakPolarHBondContact O-CA 3.43Å; V239-V250 HydrophobicContact CG2-CG2 4.49Å; V239-V250 WeakPolarHBondContact CG2-O 3.13Å; V239-V250 PolarHBondContact N-O 2.82Å; V239-V250 PolarHBondContact O-N 2.86Å; V239-V252 HydrophobicContact CG1-CG1 4Å; V239-V252 HydrophobicContact CG2-CB 4.13Å; V239-V252 HydrophobicContact CG2-CG1 3.82Å; V239-W267 HydrophobicContact CG2-CH2 4.3Å; V239-W267 HydrophobicContact CG2-CZ2 3.93Å
240L96.5Very high91.3Very high67 Ų6758.3 Ų58.335%0.35130%0.302SS..EExtended strand (participates in β ladder)trans-84.3117.5172-169.570.7000109.8E187 T247 R249E187-L240 PolarHBondContact N-O 3.19Å; E187-L240 PolarHBondContact OE1-N 3.43Å; L240-T247 HydrophobicContact CD1-CG2 3.56Å; L240-T247 HydrophobicContact CD2-CG2 4.27Å; L240-T247 HydrophobicContact CG-CG2 3.84Å; L240-R249 HydrophobicContact CD1-CB 4.36Å
241V96.3Very high92.4Very high0 Ų057.6 Ų57.60%029%0.29CS..EExtended strand (participates in β ladder)trans-118.2126.3-175.8-176.20000109.8V184 K185 V186 V239 A243 T247 R248 V250 W267 F271V184-V241 HydrophobicContact CB-CG1 4.29Å; K185-V241 CarbonylContact O-C 3.58Å; K185-V241 WeakPolarHBondContact O-CA 3.19Å; V186-V241 HydrophobicContact CG1-CG2 4.23Å; V186-V241 HydrophobicContact CG2-CG1 4.35Å; V186-V241 HydrophobicContact CG2-CG2 4.18Å; V239-V241 HydrophobicContact CG2-CG2 3.82Å; V241-A243 HydrophobicContact CG1-CB 4.31Å; V241-T247 CarbonylContact O-C 3.59Å; V241-T247 WeakPolarHBondContact O-CA 3.25Å; V241-R248 PolarHBondContact N-O 3.32Å; V241-R248 PolarHBondContact O-N 2.91Å; V241-V250 HydrophobicContact CB-CG2 4.03Å; V241-V250 HydrophobicContact CG2-CG2 3.43Å; V241-V250 VanDerWaalsContact CG2-CG2 3.43Å; V241-W267 HydrophobicContact CB-CH2 4.45Å; V241-W267 HydrophobicContact CB-CZ3 4.47Å; V241-W267 HydrophobicContact CG1-CE3 4.23Å; V241-W267 HydrophobicContact CG1-CH2 4.24Å; V241-W267 HydrophobicContact CG1-CZ3 3.81Å; V241-W267 HydrophobicContact CG2-CH2 3.4Å; V241-W267 HydrophobicContact CG2-CZ2 3.69Å; V241-W267 HydrophobicContact CG2-CZ3 3.85Å; V241-F271 HydrophobicContact CB-CE2 4.28Å; V241-F271 HydrophobicContact CB-CZ 3.82Å; V241-F271 HydrophobicContact CG1-CE2 3.96Å; V241-F271 HydrophobicContact CG1-CZ 3.61Å
242N95.5Very high93.3Very high74 Ų7456.6 Ų56.640%0.39628%0.284SS..EExtended strand (participates in β ladder)trans-107.1113.5168.5-176.5-48.3000109.3K185 K246 T247K185-N242 HydrophobicContact CB-CB 4.26Å; K185-N242 PolarHBondContact N-O 3.13Å; K185-N242 PolarHBondContact O-N 2.96Å; N242-K246 WeakPolarHBondContact CA-O 3.33Å; N242-T247 PolarHBondContact ND2-OG1 3.17Å; N242-T247 VanDerWaalsContact ND2-OG1 3.12Å
243A91.5Very high93.9Very high3 Ų350.9 Ų50.93%0.02526%0.257CS..EExtended strand (participates in β ladder)trans-149.2145.6-179.400000109.4V184 V241 G245 K246 F263 F271V184-A243 HydrophobicContact CB-CB 4.16Å; V184-A243 HydrophobicContact CG1-CB 3.51Å; V241-A243 HydrophobicContact CG1-CB 4.31Å; A243-G245 PolarHBondContact O-N 3.4Å; A243-G245 VanDerWaalsContact O-N 3.14Å; A243-K246 PolarHBondContact N-O 3.41Å; A243-K246 PolarHBondContact O-N 3.04Å; A243-F263 HydrophobicContact CB-CE2 4.47Å; A243-F271 HydrophobicContact CB-CD1 4.06Å; A243-F271 HydrophobicContact CB-CE1 3.74Å; A243-F271 HydrophobicContact CB-CE2 4.45Å; A243-F271 HydrophobicContact CB-CZ 3.96Å; A243-F271 WeakPolarHBondContact O-CD1 3.45Å; A243-F271 WeakPolarHBondContact O-CE1 3.31Å
244F92Very high94.2Very high106 Ų10650 Ų5047%0.46525%0.252SS..THydrogen-bonded Turntrans52.738174.6-47.7-76000114.2V182 K246 F263 F271 L273V182-F244 HydrophobicContact CB-CZ 4.36Å; V182-F244 HydrophobicContact CG2-CE1 4.03Å; V182-F244 HydrophobicContact CG2-CE2 4.01Å; V182-F244 HydrophobicContact CG2-CZ 3.44Å; V182-F244 VanDerWaalsContact CG2-CZ 3.44Å; F244-K246 PolarHBondContact O-N 3.45Å; F244-F263 HydrophobicContact CD2-CZ 4.48Å; F244-F263 HydrophobicContact CE2-CE1 4.3Å; F244-F263 HydrophobicContact CE2-CE2 4.03Å; F244-F263 AromaticContact CE2-CZ 3.67Å; F244-F263 HydrophobicContact CE2-CZ 3.67Å; F244-F271 HydrophobicContact CD2-CB 4.24Å; F244-F271 HydrophobicContact CD2-CD1 4.37Å; F244-F271 HydrophobicContact CD2-CG 4.33Å; F244-L273 HydrophobicContact CB-CD2 4.42Å; F244-L273 HydrophobicContact CD1-CD2 4.06Å; F244-L273 HydrophobicContact CD2-CD1 4.38Å; F244-L273 HydrophobicContact CD2-CD2 3.65Å; F244-L273 HydrophobicContact CD2-CG 4.47Å; F244-L273 HydrophobicContact CE1-CD2 4.18Å; F244-L273 HydrophobicContact CE2-CD1 3.71Å; F244-L273 HydrophobicContact CE2-CD2 3.78Å; F244-L273 HydrophobicContact CE2-CG 4.28Å; F244-L273 HydrophobicContact CG-CD2 3.78Å; F244-L273 HydrophobicContact CZ-CD1 3.85Å; F244-L273 HydrophobicContact CZ-CD2 4.03Å
245G88.8Confident94.2Very high80 Ų8047.2 Ų47.283%0.82524%0.238SC*.THydrogen-bonded Turntrans72.52.2-179.300000115.1A243A243-G245 PolarHBondContact O-N 3.4Å; A243-G245 VanDerWaalsContact O-N 3.14Å
246K92.4Very high93.7Very high84 Ų8450.4 Ų50.437%0.36526%0.255SS..EExtended strand (participates in β ladder)trans-113147.2178.7-62.2175.9-171.5170.90109.8N242 A243 F244 F271N242-K246 WeakPolarHBondContact CA-O 3.33Å; A243-K246 PolarHBondContact N-O 3.41Å; A243-K246 PolarHBondContact O-N 3.04Å; F244-K246 PolarHBondContact O-N 3.45Å; K246-F271 HydrophobicContact CB-CD1 4.05Å; K246-F271 HydrophobicContact CB-CE1 4.21Å; K246-F271 PolarHBondContact NZ-O 2.89Å
247T95.2Very high92.7Very high68 Ų6850.1 Ų50.142%0.41726%0.263SS..EExtended strand (participates in β ladder)trans-110131.7167-580000108.6L240 V241 N242L240-T247 HydrophobicContact CD1-CG2 3.56Å; L240-T247 HydrophobicContact CD2-CG2 4.27Å; L240-T247 HydrophobicContact CG-CG2 3.84Å; V241-T247 CarbonylContact O-C 3.59Å; V241-T247 WeakPolarHBondContact O-CA 3.25Å; N242-T247 PolarHBondContact ND2-OG1 3.17Å; N242-T247 VanDerWaalsContact ND2-OG1 3.12Å
248R94.2Very high91.6Very high113 Ų11360.1 Ų60.143%0.42631%0.306SS..EExtended strand (participates in β ladder)trans-139.2144.8-179.3-65.8-69.5-176.9-102.79.5109.6V241 V250 F271V241-R248 PolarHBondContact N-O 3.32Å; V241-R248 PolarHBondContact O-N 2.91Å; R248-V250 HydrophobicContact CB-CG1 3.94Å; R248-F271 HydrophobicContact CB-CE1 4.14Å; R248-F271 HydrophobicContact CB-CE2 4.35Å; R248-F271 HydrophobicContact CB-CZ 3.82Å; R248-F271 HydrophobicContact CG-CD1 4.25Å; R248-F271 HydrophobicContact CG-CE1 3.86Å; R248-F271 HydrophobicContact CG-CZ 4.02Å
249R95.2Very high90.3Very high155 Ų15560 Ų6059%0.58531%0.306SS*.EExtended strand (participates in β ladder)trans-97.2118.6167.7-174.9155.6-95.4170.9-7.9107.2E238 V239 L240E238-R249 HydrophobicContact CG-CG 3.48Å; E238-R249 VanDerWaalsContact CG-CG 3.48Å; E238-R249 WeakPolarHBondContact OE2-CD 3.4Å; V239-R249 WeakPolarHBondContact O-CA 3.43Å; L240-R249 HydrophobicContact CD1-CB 4.36Å
250V95.4Very high89.6Confident12 Ų1263.8 Ų63.87%0.07333%0.332CS..EExtended strand (participates in β ladder)trans-140.4156.3-168.6-69.90000110.3V239 V241 R248 W267V239-V250 HydrophobicContact CG2-CG2 4.49Å; V239-V250 WeakPolarHBondContact CG2-O 3.13Å; V239-V250 PolarHBondContact N-O 2.82Å; V239-V250 PolarHBondContact O-N 2.86Å; V241-V250 HydrophobicContact CB-CG2 4.03Å; V241-V250 HydrophobicContact CG2-CG2 3.43Å; V241-V250 VanDerWaalsContact CG2-CG2 3.43Å; R248-V250 HydrophobicContact CB-CG1 3.94Å; V250-W267 HydrophobicContact CG2-CD2 4.12Å; V250-W267 VanDerWaalsContact CG2-CE2 3.44Å; V250-W267 HydrophobicContact CG2-CG 4.47Å; V250-W267 HydrophobicContact CG2-CZ2 3.64Å
251E95.5Very high89.3Confident79 Ų7961.5 Ų61.537%0.36932%0.321SS..EExtended strand (participates in β ladder)trans-81.9145.8175.2-60.3-169.1141.600111.2K236 A237 W267K236-E251 IonicContact NZ-OE2 3.76Å; A237-E251 CarbonylContact O-C 3.46Å; A237-E251 WeakPolarHBondContact O-CA 3.19Å; E251-W267 PolarHBondContact O-NE1 2.94Å
252V95.2Very high89.2Confident2 Ų262.8 Ų62.81%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-131.6135.117069.80000109.4S202 V204 K236 A237 V239 W267S202-V252 WeakPolarHBondContact O-CG2 3.37Å; V204-V252 HydrophobicContact CB-CG2 4.38Å; V204-V252 HydrophobicContact CG1-CG2 3.87Å; V204-V252 HydrophobicContact CG2-CG1 4.21Å; V204-V252 HydrophobicContact CG2-CG2 3.94Å; K236-V252 CarbonylContact C-O 3.5Å; K236-V252 VanDerWaalsContact CA-O 3.32Å; K236-V252 WeakPolarHBondContact CA-O 3.21Å; A237-V252 HydrophobicContact CB-CG1 4.2Å; A237-V252 PolarHBondContact N-O 3.13Å; A237-V252 PolarHBondContact O-N 2.77Å; V239-V252 HydrophobicContact CG1-CG1 4Å; V239-V252 HydrophobicContact CG2-CB 4.13Å; V239-V252 HydrophobicContact CG2-CG1 3.82Å; V252-W267 HydrophobicContact CB-CZ2 3.86Å; V252-W267 HydrophobicContact CG2-CH2 4.46Å; V252-W267 HydrophobicContact CG2-CZ2 4.05Å
253Y95Very high89.1Confident9 Ų959.3 Ų59.34%0.03531%0.309CS..EExtended strand (participates in β ladder)trans-77.7141.5172.6-79.6-104.8000110.5H201 S202 V203 V204 A220 L223 T233 K236H201-Y253 HydrophobicContact CB-CD2 3.6Å; H201-Y253 HydrophobicContact CB-CE2 3.57Å; H201-Y253 AromaticContact CD2-CE2 3.44Å; H201-Y253 VanDerWaalsContact CD2-CE2 3.44Å; H201-Y253 WeakPolarHBondContact CD2-CE2 3.18Å; H201-Y253 AromaticContact CD2-CZ 3.61Å; H201-Y253 PolarHBondContact CD2-OH 2.89Å; H201-Y253 AromaticContact CE1-CE2 3.85Å; H201-Y253 AromaticContact CG-CD2 3.82Å; H201-Y253 AromaticContact CG-CE2 3.21Å; H201-Y253 AromaticContact CG-CZ 3.9Å; H201-Y253 AromaticContact ND1-CE2 3.49Å; H201-Y253 WeakPolarHBondContact ND1-CE2 3.37Å; H201-Y253 AromaticContact NE2-CE2 3.81Å; H201-Y253 AromaticContact NE2-CZ 3.81Å; H201-Y253 PolarHBondContact NE2-OH 3.41Å; S202-Y253 PolarHBondContact O-N 3.42Å; V203-Y253 CarbonylContact C-O 3.53Å; V203-Y253 WeakPolarHBondContact CA-O 3.44Å; V204-Y253 PolarHBondContact N-O 3.35Å; A220-Y253 HydrophobicContact CB-CD1 4.2Å; A220-Y253 HydrophobicContact CB-CE1 3.77Å; L223-Y253 HydrophobicContact CD1-CD1 3.76Å; L223-Y253 HydrophobicContact CD1-CE1 4.42Å; L223-Y253 HydrophobicContact CD1-CG 3.8Å; L223-Y253 HydrophobicContact CD2-CD1 3.78Å; L223-Y253 HydrophobicContact CD2-CE1 3.56Å; L223-Y253 HydrophobicContact CD2-CE2 4.3Å; L223-Y253 HydrophobicContact CD2-CG 4.23Å; L223-Y253 HydrophobicContact CG-CD1 3.68Å; L223-Y253 HydrophobicContact CG-CE1 3.91Å; L223-Y253 HydrophobicContact CG-CG 4.21Å; T233-Y253 HydrophobicContact CG2-CD1 3.73Å; T233-Y253 HydrophobicContact CG2-CE1 4.35Å; K236-Y253 HydrophobicContact CD-CE1 4.32Å; K236-Y253 HydrophobicContact CD-CE2 4.18Å; K236-Y253 VanDerWaalsContact CE-CE1 3.46Å; K236-Y253 WeakPolarHBondContact CE-OH 3.42Å; K236-Y253 HydrophobicContact CG-CD1 3.93Å; K236-Y253 HydrophobicContact CG-CD2 3.96Å; K236-Y253 HydrophobicContact CG-CE1 3.98Å; K236-Y253 HydrophobicContact CG-CE2 4.04Å; K236-Y253 HydrophobicContact CG-CG 3.96Å; K236-Y253 PolarHBondContact NZ-OH 2.72Å
254V94.1Very high89.2Confident0 Ų059.1 Ų59.10%031%0.308CS..EExtended strand (participates in β ladder)trans-114.2123.3177.4-175.70000108.7V204 W209 L217 M234 G235 A237V204-V254 HydrophobicContact CG2-CG2 3.97Å; V204-V254 WeakPolarHBondContact O-CA 3.11Å; W209-V254 HydrophobicContact CB-CG1 3.59Å; W209-V254 HydrophobicContact CB-CG2 4.08Å; W209-V254 HydrophobicContact CD2-CG1 4.25Å; W209-V254 HydrophobicContact CG-CB 4.46Å; W209-V254 HydrophobicContact CG-CG1 3.74Å; W209-V254 HydrophobicContact CG-CG2 3.89Å; L217-V254 HydrophobicContact CD2-CB 3.9Å; L217-V254 HydrophobicContact CD2-CG2 3.6Å; M234-V254 HydrophobicContact CB-CB 4.33Å; M234-V254 HydrophobicContact CB-CG1 4.23Å; M234-V254 WeakPolarHBondContact CB-O 3.25Å; M234-V254 PolarHBondContact N-O 2.91Å; M234-V254 HydrophobicContact SD-CG1 3.96Å; G235-V254 PolarHBondContact O-N 2.94Å; A237-V254 HydrophobicContact CB-CG2 4.43Å
255V91.6Very high89.1Confident1 Ų155.9 Ų55.91%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-114.2143.3-176.9-62.30000111.9V203 V204 K206 L223 V231 Q232 G257V203-V255 HydrophobicContact CG1-CB 4.3Å; V203-V255 HydrophobicContact CG1-CG1 3.64Å; V203-V255 HydrophobicContact CG1-CG2 3.68Å; V204-V255 PolarHBondContact O-N 3.36Å; K206-V255 PolarHBondContact N-O 3.41Å; L223-V255 HydrophobicContact CD1-CG1 4.22Å; V231-V255 HydrophobicContact CG1-CB 3.85Å; V231-V255 HydrophobicContact CG1-CG1 3.59Å; V231-V255 HydrophobicContact CG1-CG2 4.44Å; Q232-V255 WeakPolarHBondContact O-CA 3.33Å; V255-G257 VanDerWaalsContact C-N 3.32Å; V255-G257 PolarHBondContact O-N 3.18Å; V255-G257 VanDerWaalsContact O-N 3.12Å
256D82.3Confident89.2Confident68 Ų6853.7 Ų53.736%0.36426%0.264SS..SBendtrans-85.475.4175.9-152.4-5.5000109.6K206 Q232 M234K206-D256 WeakPolarHBondContact CD-OD1 3.38Å; K206-D256 IonicContact NZ-OD1 2.77Å; K206-D256 PolarHBondContact NZ-OD1 3.34Å; K206-D256 VanDerWaalsContact NZ-OD1 3.16Å; K206-D256 IonicContact NZ-OD2 3.13Å; K206-D256 PolarHBondContact NZ-OD2 3.5Å; Q232-D256 HydrophobicContact CG-CB 4.29Å; Q232-D256 PolarHBondContact O-N 2.91Å; M234-D256 HydrophobicContact CG-CB 4.02Å; M234-D256 HydrophobicContact SD-CB 4.28Å
257G73.2Confident89.4Confident33 Ų3349.8 Ų49.834%0.3425%0.247SC..SBendtrans-161.9174.7-178.200000112.2D205 V255D205-G257 VanDerWaalsContact CB-O 3.27Å; D205-G257 WeakPolarHBondContact CB-O 3.44Å; V255-G257 VanDerWaalsContact C-N 3.32Å; V255-G257 PolarHBondContact O-N 3.18Å; V255-G257 VanDerWaalsContact O-N 3.12Å
258K71.2Confident89.2Confident210 Ų21046.5 Ų46.591%0.91323%0.227SC*.  trans-102.882.1169.5-76.5-174.8178.9179.40108.8
259E69.4Low89Confident97 Ų9745.4 Ų45.445%0.45323%0.229SC..  trans-117.1154.1179.3-62-151.516800111.8
260S80.6Confident88.8Confident78 Ų7840.6 Ų40.655%0.54522%0.219SC..  trans-73.7132.9174.1-61.40000109L262S260-L262 PolarHBondContact O-N 3.38Å
261P91.8Very high88.6Confident19 Ų1940.1 Ų40.112%0.12322%0.217CC..  trans-52.8133.4175.6-30.837.6000112.5M193 L194 V203 V204M193-P261 CarbonylContact C-O 3.52Å; M193-P261 VanDerWaalsContact CA-O 3.31Å; M193-P261 WeakPolarHBondContact CA-O 3.31Å; M193-P261 HydrophobicContact CB-CB 4.26Å; M193-P261 HydrophobicContact CE-CB 3.87Å; M193-P261 HydrophobicContact CG-CB 3.83Å; L194-P261 PolarHBondContact N-O 2.81Å; V203-P261 CarbonylContact O-C 3.48Å; V203-P261 VanDerWaalsContact O-CA 3.24Å; V203-P261 WeakPolarHBondContact O-CA 3.05Å; V204-P261 HydrophobicContact CG1-CB 4.2Å
262L93.4Very high88.3Confident28 Ų2838.9 Ų38.915%0.14723%0.225CC..EExtended strand (participates in β ladder)trans-108.9130-178.3-59-177.4000110.9M193 L194 A199 S202 V203 S260M193-L262 WeakPolarHBondContact CE-O 3.39Å; L194-L262 HydrophobicContact CB-CD2 3.89Å; L194-L262 HydrophobicContact CD2-CD2 3.8Å; L194-L262 HydrophobicContact CG-CD2 4.33Å; A199-L262 HydrophobicContact CB-CD1 4.14Å; S202-L262 VanDerWaalsContact CA-O 3.24Å; S202-L262 WeakPolarHBondContact CA-O 3.26Å; S202-L262 WeakPolarHBondContact CB-O 3.38Å; V203-L262 HydrophobicContact CB-CB 4.36Å; V203-L262 PolarHBondContact N-O 3.5Å; V203-L262 VanDerWaalsContact N-O 3.1Å; V203-L262 PolarHBondContact O-N 3.17Å; S260-L262 PolarHBondContact O-N 3.38Å
263F94Very high87.9Confident0 Ų039.9 Ų39.90%023%0.23CC..EExtended strand (participates in β ladder)trans-94.694.1166.2-168.5-72.5000107.1V182 V184 M193 L194 Y195 D196 A243 F244 W267 C268 F271 L273V182-F263 HydrophobicContact CG1-CB 3.71Å; V182-F263 HydrophobicContact CG1-CD2 3.59Å; V182-F263 HydrophobicContact CG1-CE2 4.39Å; V182-F263 HydrophobicContact CG1-CG 3.75Å; V184-F263 HydrophobicContact CG1-CD2 4.07Å; V184-F263 HydrophobicContact CG1-CE2 3.97Å; M193-F263 HydrophobicContact CB-CB 4.08Å; M193-F263 HydrophobicContact SD-CD2 4.49Å; L194-F263 PolarHBondContact O-N 3.09Å; Y195-F263 AromaticContact CD2-CD1 3.88Å; Y195-F263 HydrophobicContact CD2-CD1 3.88Å; Y195-F263 HydrophobicContact CD2-CE1 4.46Å; Y195-F263 HydrophobicContact CD2-CG 4.47Å; Y195-F263 HydrophobicContact CE2-CD1 4.09Å; Y195-F263 HydrophobicContact CE2-CE1 4.31Å; D196-F263 CarbonylContact C-O 3.51Å; D196-F263 PolarHBondContact N-O 3.38Å; A243-F263 HydrophobicContact CB-CE2 4.47Å; F244-F263 HydrophobicContact CD2-CZ 4.48Å; F244-F263 HydrophobicContact CE2-CE1 4.3Å; F244-F263 HydrophobicContact CE2-CE2 4.03Å; F244-F263 AromaticContact CE2-CZ 3.67Å; F244-F263 HydrophobicContact CE2-CZ 3.67Å; F263-W267 HydrophobicContact CD1-CB 4.02Å; F263-W267 HydrophobicContact CD2-CB 4.34Å; F263-W267 HydrophobicContact CD2-CD2 4.49Å; F263-W267 AromaticContact CD2-CE3 3.52Å; F263-W267 HydrophobicContact CD2-CE3 3.52Å; F263-W267 HydrophobicContact CD2-CZ3 4.23Å; F263-W267 HydrophobicContact CE1-CB 3.64Å; F263-W267 HydrophobicContact CE2-CB 3.99Å; F263-W267 HydrophobicContact CE2-CD2 4.41Å; F263-W267 AromaticContact CE2-CE3 3.57Å; F263-W267 HydrophobicContact CE2-CE3 3.57Å; F263-W267 HydrophobicContact CE2-CZ3 4.43Å; F263-W267 HydrophobicContact CG-CB 4.35Å; F263-W267 HydrophobicContact CG-CE3 4.29Å; F263-W267 HydrophobicContact CZ-CB 3.61Å; F263-W267 HydrophobicContact CZ-CE3 4.37Å; F263-C268 HydrophobicContact CE1-CB 4.42Å; F263-F271 HydrophobicContact CE2-CD2 4.34Å; F263-F271 AromaticContact CZ-CD2 3.81Å; F263-F271 HydrophobicContact CZ-CD2 3.81Å; F263-F271 HydrophobicContact CZ-CE2 4.39Å; F263-F271 HydrophobicContact CZ-CG 4.4Å; F263-L273 HydrophobicContact CE1-CD1 3.81Å; F263-L273 HydrophobicContact CZ-CD1 4.28Å
264G91.9Very high87.3Confident0 Ų045.2 Ų45.20%027%0.265CS..  trans-82.7178.9-172.700000114.2D196 A199 S202 D266 W267 C268D196-G264 WeakPolarHBondContact O-CA 3.41Å; A199-G264 CarbonylContact O-C 3.56Å; A199-G264 WeakPolarHBondContact O-CA 3.24Å; S202-G264 PolarHBondContact OG-N 3.07Å; G264-D266 VanDerWaalsContact C-N 3.26Å; G264-D266 PolarHBondContact O-N 3.26Å; G264-W267 PolarHBondContact O-N 3.19Å; G264-C268 PolarHBondContact O-N 3.04Å; G264-C268 PolarHBondContact O-SG 3.35Å
265L90.7Very high86.7Confident38 Ų3848 Ų4820%0.19928%0.278CS..Hα-helixtrans-57.1-37.6178.6-175.761000112.6A199 W267 C268 L269 F275 I281A199-L265 WeakPolarHBondContact O-CB 3.32Å; A199-L265 PolarHBondContact O-N 3.11Å; L265-W267 PolarHBondContact O-N 3.43Å; L265-C268 WeakPolarHBondContact O-CB 3.42Å; L265-C268 PolarHBondContact O-N 3.09Å; L265-L269 HydrophobicContact CD1-CD1 4.37Å; L265-L269 HydrophobicContact CD1-CG 4.32Å; L265-L269 HydrophobicContact CG-CD1 4.04Å; L265-L269 HydrophobicContact CG-CG 4.42Å; L265-L269 WeakPolarHBondContact O-CB 3.48Å; L265-L269 VanDerWaalsContact O-CG 3.27Å; L265-L269 WeakPolarHBondContact O-CG 3.46Å; L265-L269 PolarHBondContact O-N 2.94Å; L265-F275 HydrophobicContact CD1-CE1 4.01Å; L265-F275 HydrophobicContact CD1-CZ 3.63Å; L265-I281 HydrophobicContact CD1-CD1 4.3Å; L265-I281 HydrophobicContact CD2-CG2 4.22Å
266D91.8Very high86Confident33 Ų3352.6 Ų52.618%0.17631%0.307CS..Hα-helixtrans-56.6-45.7176.760.1-14.7000113.2A200 H201 S202 G264 S270A200-D266 PolarHBondContact O-N 3.41Å; H201-D266 WeakPolarHBondContact CA-OD2 3.47Å; H201-D266 IonicContact ND1-OD2 2.67Å; S202-D266 WeakPolarHBondContact CB-OD1 3.38Å; S202-D266 VanDerWaalsContact N-CG 3.28Å; S202-D266 PolarHBondContact N-OD1 2.93Å; S202-D266 PolarHBondContact N-OD2 3.04Å; S202-D266 PolarHBondContact OG-OD1 3.42Å; G264-D266 VanDerWaalsContact C-N 3.26Å; G264-D266 PolarHBondContact O-N 3.26Å; D266-S270 WeakPolarHBondContact O-CB 3.42Å; D266-S270 PolarHBondContact O-N 2.9Å; D266-S270 PolarHBondContact O-OG 3.38Å
267W95Very high85.8Confident2 Ų259.7 Ų59.71%0.00834%0.335CS..Hα-helixtrans-75.4-37.9176.1-75.624.2000110.7V186 M193 S202 V239 V241 V250 E251 V252 F263 G264 L265 L269 S270 F271V186-W267 HydrophobicContact CG2-CH2 4.07Å; V186-W267 HydrophobicContact CG2-CZ3 4.27Å; M193-W267 HydrophobicContact CE-CH2 4.3Å; M193-W267 HydrophobicContact CE-CZ3 3.98Å; M193-W267 HydrophobicContact SD-CE3 4.31Å; M193-W267 HydrophobicContact SD-CH2 4.24Å; M193-W267 HydrophobicContact SD-CZ3 3.55Å; M193-W267 VanDerWaalsContact SD-CZ3 3.55Å; S202-W267 WeakPolarHBondContact OG-CB 3.41Å; S202-W267 VanDerWaalsContact OG-CD1 3.23Å; V239-W267 HydrophobicContact CG2-CH2 4.3Å; V239-W267 HydrophobicContact CG2-CZ2 3.93Å; V241-W267 HydrophobicContact CB-CH2 4.45Å; V241-W267 HydrophobicContact CB-CZ3 4.47Å; V241-W267 HydrophobicContact CG1-CE3 4.23Å; V241-W267 HydrophobicContact CG1-CH2 4.24Å; V241-W267 HydrophobicContact CG1-CZ3 3.81Å; V241-W267 HydrophobicContact CG2-CH2 3.4Å; V241-W267 HydrophobicContact CG2-CZ2 3.69Å; V241-W267 HydrophobicContact CG2-CZ3 3.85Å; V250-W267 HydrophobicContact CG2-CD2 4.12Å; V250-W267 VanDerWaalsContact CG2-CE2 3.44Å; V250-W267 HydrophobicContact CG2-CG 4.47Å; V250-W267 HydrophobicContact CG2-CZ2 3.64Å; E251-W267 PolarHBondContact O-NE1 2.94Å; V252-W267 HydrophobicContact CB-CZ2 3.86Å; V252-W267 HydrophobicContact CG2-CH2 4.46Å; V252-W267 HydrophobicContact CG2-CZ2 4.05Å; F263-W267 HydrophobicContact CD1-CB 4.02Å; F263-W267 HydrophobicContact CD2-CB 4.34Å; F263-W267 HydrophobicContact CD2-CD2 4.49Å; F263-W267 AromaticContact CD2-CE3 3.52Å; F263-W267 HydrophobicContact CD2-CE3 3.52Å; F263-W267 HydrophobicContact CD2-CZ3 4.23Å; F263-W267 HydrophobicContact CE1-CB 3.64Å; F263-W267 HydrophobicContact CE2-CB 3.99Å; F263-W267 HydrophobicContact CE2-CD2 4.41Å; F263-W267 AromaticContact CE2-CE3 3.57Å; F263-W267 HydrophobicContact CE2-CE3 3.57Å; F263-W267 HydrophobicContact CE2-CZ3 4.43Å; F263-W267 HydrophobicContact CG-CB 4.35Å; F263-W267 HydrophobicContact CG-CE3 4.29Å; F263-W267 HydrophobicContact CZ-CB 3.61Å; F263-W267 HydrophobicContact CZ-CE3 4.37Å; G264-W267 PolarHBondContact O-N 3.19Å; L265-W267 PolarHBondContact O-N 3.43Å; W267-L269 PolarHBondContact O-N 2.84Å; W267-S270 PolarHBondContact O-N 3.11Å; W267-S270 VanDerWaalsContact O-N 3.16Å; W267-F271 HydrophobicContact CB-CD2 4.35Å; W267-F271 WeakPolarHBondContact O-CB 3.43Å; W267-F271 VanDerWaalsContact O-CD2 3.27Å; W267-F271 WeakPolarHBondContact O-CD2 3.49Å; W267-F271 PolarHBondContact O-N 2.96Å
268C91.7Very high85.7Confident0 Ų061.8 Ų61.80%036%0.356CS..Hα-helixtrans-52.9-44.7172.6-67.40000111.7Y195 F263 G264 L265 G272 L273 F275Y195-C268 WeakPolarHBondContact CE2-SG 3.24Å; F263-C268 HydrophobicContact CE1-CB 4.42Å; G264-C268 PolarHBondContact O-N 3.04Å; G264-C268 PolarHBondContact O-SG 3.35Å; L265-C268 WeakPolarHBondContact O-CB 3.42Å; L265-C268 PolarHBondContact O-N 3.09Å; C268-G272 PolarHBondContact O-N 3.08Å; C268-L273 HydrophobicContact CB-CD1 4.25Å; C268-L273 PolarHBondContact O-N 3.3Å; C268-F275 HydrophobicContact CB-CZ 3.84Å
269L90Very high85.9Confident89 Ų8956.1 Ų56.147%0.46634%0.335SS..Hα-helixtrans-69.4-45.2176.7-67169.8000112.2L265 W267 F271 G272 F275 I281L265-L269 HydrophobicContact CD1-CD1 4.37Å; L265-L269 HydrophobicContact CD1-CG 4.32Å; L265-L269 HydrophobicContact CG-CD1 4.04Å; L265-L269 HydrophobicContact CG-CG 4.42Å; L265-L269 WeakPolarHBondContact O-CB 3.48Å; L265-L269 VanDerWaalsContact O-CG 3.27Å; L265-L269 WeakPolarHBondContact O-CG 3.46Å; L265-L269 PolarHBondContact O-N 2.94Å; W267-L269 PolarHBondContact O-N 2.84Å; L269-F271 VanDerWaalsContact C-N 3.27Å; L269-F271 PolarHBondContact O-N 3.33Å; L269-G272 PolarHBondContact O-N 3.17Å; L269-F275 HydrophobicContact CD2-CE2 3.93Å; L269-F275 HydrophobicContact CD2-CZ 4.46Å; L269-I281 HydrophobicContact CD1-CD1 4.33Å; L269-I281 HydrophobicContact CD2-CD1 3.46Å; L269-I281 VanDerWaalsContact CD2-CD1 3.46Å; L269-I281 HydrophobicContact CG-CD1 4.33Å
270S91.2Very high86Confident54 Ų5459 Ų5938%0.37835%0.348SS..Hα-helixtrans-61.8-33.1-179.3-61.60000113.4D266 W267D266-S270 WeakPolarHBondContact O-CB 3.42Å; D266-S270 PolarHBondContact O-N 2.9Å; D266-S270 PolarHBondContact O-OG 3.38Å; W267-S270 PolarHBondContact O-N 3.11Å; W267-S270 VanDerWaalsContact O-N 3.16Å
271F92.1Very high85.5Confident3 Ų359.1 Ų59.11%0.01334%0.342CS..Hα-helixtrans-88.2-7.5176.5-76.2-83.6000113.4V241 A243 F244 K246 R248 F263 W267 L269 L273V241-F271 HydrophobicContact CB-CE2 4.28Å; V241-F271 HydrophobicContact CB-CZ 3.82Å; V241-F271 HydrophobicContact CG1-CE2 3.96Å; V241-F271 HydrophobicContact CG1-CZ 3.61Å; A243-F271 HydrophobicContact CB-CD1 4.06Å; A243-F271 HydrophobicContact CB-CE1 3.74Å; A243-F271 HydrophobicContact CB-CE2 4.45Å; A243-F271 HydrophobicContact CB-CZ 3.96Å; A243-F271 WeakPolarHBondContact O-CD1 3.45Å; A243-F271 WeakPolarHBondContact O-CE1 3.31Å; F244-F271 HydrophobicContact CD2-CB 4.24Å; F244-F271 HydrophobicContact CD2-CD1 4.37Å; F244-F271 HydrophobicContact CD2-CG 4.33Å; K246-F271 HydrophobicContact CB-CD1 4.05Å; K246-F271 HydrophobicContact CB-CE1 4.21Å; K246-F271 PolarHBondContact NZ-O 2.89Å; R248-F271 HydrophobicContact CB-CE1 4.14Å; R248-F271 HydrophobicContact CB-CE2 4.35Å; R248-F271 HydrophobicContact CB-CZ 3.82Å; R248-F271 HydrophobicContact CG-CD1 4.25Å; R248-F271 HydrophobicContact CG-CE1 3.86Å; R248-F271 HydrophobicContact CG-CZ 4.02Å; F263-F271 HydrophobicContact CE2-CD2 4.34Å; F263-F271 AromaticContact CZ-CD2 3.81Å; F263-F271 HydrophobicContact CZ-CD2 3.81Å; F263-F271 HydrophobicContact CZ-CE2 4.39Å; F263-F271 HydrophobicContact CZ-CG 4.4Å; W267-F271 HydrophobicContact CB-CD2 4.35Å; W267-F271 WeakPolarHBondContact O-CB 3.43Å; W267-F271 VanDerWaalsContact O-CD2 3.27Å; W267-F271 WeakPolarHBondContact O-CD2 3.49Å; W267-F271 PolarHBondContact O-N 2.96Å; L269-F271 VanDerWaalsContact C-N 3.27Å; L269-F271 PolarHBondContact O-N 3.33Å; F271-L273 HydrophobicContact CB-CD2 4.37Å; F271-L273 HydrophobicContact CB-CG 4.25Å
272G88.3Confident84.1Confident52 Ų5264.8 Ų64.854%0.53637%0.371SS..THydrogen-bonded Turntrans6545.218000000112.1C268 L269C268-G272 PolarHBondContact O-N 3.08Å; L269-G272 PolarHBondContact O-N 3.17Å
273L87.6Confident82.3Confident24 Ų2471.9 Ų71.913%0.12640%0.4CS..PPolyproline II helixtrans-72.8136.1178.6-61.4-175.7000110.5Y195 F244 F263 C268 F271 F275Y195-L273 HydrophobicContact CE2-CD1 3.58Å; F244-L273 HydrophobicContact CB-CD2 4.42Å; F244-L273 HydrophobicContact CD1-CD2 4.06Å; F244-L273 HydrophobicContact CD2-CD1 4.38Å; F244-L273 HydrophobicContact CD2-CD2 3.65Å; F244-L273 HydrophobicContact CD2-CG 4.47Å; F244-L273 HydrophobicContact CE1-CD2 4.18Å; F244-L273 HydrophobicContact CE2-CD1 3.71Å; F244-L273 HydrophobicContact CE2-CD2 3.78Å; F244-L273 HydrophobicContact CE2-CG 4.28Å; F244-L273 HydrophobicContact CG-CD2 3.78Å; F244-L273 HydrophobicContact CZ-CD1 3.85Å; F244-L273 HydrophobicContact CZ-CD2 4.03Å; F263-L273 HydrophobicContact CE1-CD1 3.81Å; F263-L273 HydrophobicContact CZ-CD1 4.28Å; C268-L273 HydrophobicContact CB-CD1 4.25Å; C268-L273 PolarHBondContact O-N 3.3Å; F271-L273 HydrophobicContact CB-CD2 4.37Å; F271-L273 HydrophobicContact CB-CG 4.25Å; L273-F275 WeakPolarHBondContact O-CD2 3.49Å
274P82.1Confident79.8Confident120 Ų12078.3 Ų78.378%0.77944%0.439SS*.PPolyproline II helixtrans-69.1135.3179.828.6-33.7000110.3
275F80.9Confident77.1Confident60 Ų6081.8 Ų81.826%0.26346%0.461SS..PPolyproline II helixtrans-99.8144.4170.3-69.1-80.5000109.9P197 L265 C268 L269 L273 I279 I281P197-F275 HydrophobicContact CB-CE1 4.26Å; L265-F275 HydrophobicContact CD1-CE1 4.01Å; L265-F275 HydrophobicContact CD1-CZ 3.63Å; C268-F275 HydrophobicContact CB-CZ 3.84Å; L269-F275 HydrophobicContact CD2-CE2 3.93Å; L269-F275 HydrophobicContact CD2-CZ 4.46Å; L273-F275 WeakPolarHBondContact O-CD2 3.49Å; F275-I279 HydrophobicContact CB-CB 4.13Å; F275-I279 HydrophobicContact CB-CD1 4.12Å; F275-I279 HydrophobicContact CB-CG2 4.31Å; F275-I279 HydrophobicContact CD1-CD1 4.08Å; F275-I279 HydrophobicContact CD1-CG2 4.36Å; F275-I279 HydrophobicContact CG-CG2 4.45Å; F275-I281 HydrophobicContact CD2-CD1 4.47Å; F275-I281 HydrophobicContact CE2-CD1 4.1Å; F275-I281 HydrophobicContact CZ-CD1 4.43Å
276P78.1Confident74.3Confident96 Ų9683.6 Ų83.662%0.62348%0.481SS*.PPolyproline II helixtrans-48.9145170.8-2932.7000112.9G278 I279P276-G278 PolarHBondContact O-N 3.1Å; P276-I279 HydrophobicContact CB-CD1 4.31Å; P276-I279 HydrophobicContact CB-CG1 4.4Å; P276-I279 HydrophobicContact CG-CD1 4.13Å; P276-I279 PolarHBondContact O-N 3Å
277K77Confident71.5Confident218 Ų21887.6 Ų87.695%0.94849%0.494SS*.THydrogen-bonded Turntrans-54.5132.5175.1-73-173.6178.3-178.20109.9
278G72Confident68.9Low76 Ų7693.9 Ų93.978%0.78453%0.528SS*.THydrogen-bonded Turntrans99.2-10.6179.900000115.2P276 Q280P276-G278 PolarHBondContact O-N 3.1Å; G278-Q280 PolarHBondContact O-N 3.42Å
279I75Confident66.4Low92 Ų9299.4 Ų99.447%0.47257%0.566SS.*  trans-68.3125.3173.5-65.9-165.8000110.2F275 P276 I281F275-I279 HydrophobicContact CB-CB 4.13Å; F275-I279 HydrophobicContact CB-CD1 4.12Å; F275-I279 HydrophobicContact CB-CG2 4.31Å; F275-I279 HydrophobicContact CD1-CD1 4.08Å; F275-I279 HydrophobicContact CD1-CG2 4.36Å; F275-I279 HydrophobicContact CG-CG2 4.45Å; P276-I279 HydrophobicContact CB-CD1 4.31Å; P276-I279 HydrophobicContact CB-CG1 4.4Å; P276-I279 HydrophobicContact CG-CD1 4.13Å; P276-I279 PolarHBondContact O-N 3Å; I279-I281 HydrophobicContact CG2-CG1 4.46Å
280Q70.8Confident64.1Low156 Ų156100.3 Ų100.373%0.72957%0.566SS**  trans-109.8118.6170.7-63.9-177.5100108.7G278 L282G278-Q280 PolarHBondContact O-N 3.42Å; Q280-L282 HydrophobicContact CB-CD2 4.32Å; Q280-L282 PolarHBondContact O-N 3.15Å; Q280-L282 VanDerWaalsContact O-N 3.14Å
281I71Confident62.1Low82 Ų82101 Ų10142%0.42157%0.569SS.*  trans-80.997.4172.2-59.7175.8000107.1L265 L269 F275 I279 K283L265-I281 HydrophobicContact CD1-CD1 4.3Å; L265-I281 HydrophobicContact CD2-CG2 4.22Å; L269-I281 HydrophobicContact CD1-CD1 4.33Å; L269-I281 HydrophobicContact CD2-CD1 3.46Å; L269-I281 VanDerWaalsContact CD2-CD1 3.46Å; L269-I281 HydrophobicContact CG-CD1 4.33Å; F275-I281 HydrophobicContact CD2-CD1 4.47Å; F275-I281 HydrophobicContact CE2-CD1 4.1Å; F275-I281 HydrophobicContact CZ-CD1 4.43Å; I279-I281 HydrophobicContact CG2-CG1 4.46Å; I281-K283 PolarHBondContact O-N 3.5Å
282L62.6Low60.1Low138 Ų138105 Ų10572%0.72359%0.592SS**  trans-73.4108.3175.9-58.5178.4000107.9Q280 V284Q280-L282 HydrophobicContact CB-CD2 4.32Å; Q280-L282 PolarHBondContact O-N 3.15Å; Q280-L282 VanDerWaalsContact O-N 3.14Å; L282-V284 PolarHBondContact O-N 3.46Å
283K53.9Low58.5Low176 Ų176107.4 Ų107.477%0.76559%0.59SS**  trans-69.5100.3165.8-165.4176.7-176.8178.80106.5I281 T285I281-K283 PolarHBondContact O-N 3.5Å; K283-T285 HydrophobicContact CD-CG2 3.82Å; K283-T285 HydrophobicContact CG-CG2 3.88Å; K283-T285 PolarHBondContact O-N 2.93Å
284V42Very low57.1Low135 Ų135108.8 Ų108.882%0.81860%0.599SS**  trans-65.385.9156.5-176.30000104.5L282 A286L282-V284 PolarHBondContact O-N 3.46Å; V284-A286 PolarHBondContact O-N 3.24Å
285T34.5Very low56.4Low74 Ų74106.3 Ų106.345%0.45459%0.585SS.*  trans-60.7102158.344.20000103.7K283 R287K283-T285 HydrophobicContact CD-CG2 3.82Å; K283-T285 HydrophobicContact CG-CG2 3.88Å; K283-T285 PolarHBondContact O-N 2.93Å; T285-R287 PolarHBondContact O-N 3.06Å
286A32.8Very low56.2Low75 Ų75111.1 Ų111.162%0.6260%0.602SS**  trans-47.3102.2134.500000102.8V284 D288V284-A286 PolarHBondContact O-N 3.24Å; A286-D288 PolarHBondContact O-N 2.86Å
287R33.6Very low56.3Low118 Ų118111.6 Ų111.645%0.44560%0.598SS.*  trans-70.375.6-165.8-80154.3161.5-148.94.1106.1T285 S289 K290 T291T285-R287 PolarHBondContact O-N 3.06Å; R287-S289 PolarHBondContact O-N 3.03Å; R287-K290 HydrophobicContact CB-CB 3.65Å; R287-K290 HydrophobicContact CB-CG 4.26Å; R287-K290 HydrophobicContact CG-CB 3.9Å; R287-K290 HydrophobicContact CG-CD 4Å; R287-K290 HydrophobicContact CG-CG 4.13Å; R287-K290 CarbonylContact O-C 3.46Å; R287-K290 PolarHBondContact O-N 3.38Å; R287-T291 WeakPolarHBondContact O-CA 3.37Å; R287-T291 WeakPolarHBondContact O-CB 3.25Å; R287-T291 VanDerWaalsContact O-CG2 3.24Å; R287-T291 WeakPolarHBondContact O-CG2 3.43Å; R287-T291 PolarHBondContact O-N 2.81Å; R287-T291 PolarHBondContact O-OG1 3.41Å
288D39.3Very low56.4Low134 Ų134106.1 Ų106.172%0.71758%0.578SS**THydrogen-bonded Turntrans-64.6-7.7177.9-73.9-26.1000112.3A286 T291A286-D288 PolarHBondContact O-N 2.86Å; D288-T291 VanDerWaalsContact C-OG1 3.31Å; D288-T291 WeakPolarHBondContact CA-OG1 3.31Å; D288-T291 PolarHBondContact O-OG1 3.25Å
289S38.7Very low56.9Low116 Ų116108.5 Ų108.581%0.81157%0.567SS**THydrogen-bonded Turntrans-110.2-11.2170.3-41.10000115R287R287-S289 PolarHBondContact O-N 3.03Å
290K42.5Very low57.4Low108 Ų108106.6 Ų106.647%0.4757%0.565SS.*THydrogen-bonded Turntrans-108.21.9166.2-51.1179.9172.6-171.50112.7R287 V292 E293 T294R287-K290 HydrophobicContact CB-CB 3.65Å; R287-K290 HydrophobicContact CB-CG 4.26Å; R287-K290 HydrophobicContact CG-CB 3.9Å; R287-K290 HydrophobicContact CG-CD 4Å; R287-K290 HydrophobicContact CG-CG 4.13Å; R287-K290 CarbonylContact O-C 3.46Å; R287-K290 PolarHBondContact O-N 3.38Å; K290-V292 PolarHBondContact O-N 2.66Å; K290-E293 PolarHBondContact O-N 3.23Å; K290-T294 WeakPolarHBondContact O-CB 3.28Å; K290-T294 PolarHBondContact O-N 2.75Å; K290-T294 PolarHBondContact O-OG1 2.85Å
291T49.9Very low58Low69 Ų69103.8 Ų103.842%0.42355%0.551SS.*Hα-helixtrans-62.3-35.9173.430.10000109.8R287 D288 S295R287-T291 WeakPolarHBondContact O-CA 3.37Å; R287-T291 WeakPolarHBondContact O-CB 3.25Å; R287-T291 VanDerWaalsContact O-CG2 3.24Å; R287-T291 WeakPolarHBondContact O-CG2 3.43Å; R287-T291 PolarHBondContact O-N 2.81Å; R287-T291 PolarHBondContact O-OG1 3.41Å; D288-T291 VanDerWaalsContact C-OG1 3.31Å; D288-T291 WeakPolarHBondContact CA-OG1 3.31Å; D288-T291 PolarHBondContact O-OG1 3.25Å; T291-S295 WeakPolarHBondContact O-CA 3.43Å; T291-S295 WeakPolarHBondContact O-CB 3.47Å; T291-S295 PolarHBondContact O-N 2.77Å
292V49.5Very low58.7Low85 Ų85103 Ų10352%0.51555%0.549SS..Hα-helixtrans-66.8-49.6175.7-175.10000111.3K290 S295 R296K290-V292 PolarHBondContact O-N 2.66Å; V292-S295 PolarHBondContact O-N 2.63Å; V292-R296 VanDerWaalsContact O-CG 3.32Å; V292-R296 WeakPolarHBondContact O-CG 3.21Å; V292-R296 PolarHBondContact O-N 3.18Å
293E55.5Low59.8Low103 Ų103102.2 Ų102.248%0.48154%0.542SS..Hα-helixtrans-69.6-41.5-179.1-162.262.7-161.700112.3K290 S295 R296 I297K290-E293 PolarHBondContact O-N 3.23Å; E293-S295 VanDerWaalsContact C-N 3.34Å; E293-S295 PolarHBondContact O-N 3.5Å; E293-R296 PolarHBondContact O-N 3.14Å; E293-I297 HydrophobicContact CG-CD1 4.32Å; E293-I297 WeakPolarHBondContact O-CG1 3.45Å; E293-I297 PolarHBondContact O-N 3.01Å
294T58.3Low61.5Low53 Ų53100.5 Ų100.533%0.32554%0.537SS..Hα-helixtrans-66.1-38.4175.4-47.10000110.4K290 L298K290-T294 WeakPolarHBondContact O-CB 3.28Å; K290-T294 PolarHBondContact O-N 2.75Å; K290-T294 PolarHBondContact O-OG1 2.85Å; T294-L298 HydrophobicContact CG2-CD1 3.97Å; T294-L298 HydrophobicContact CG2-CG 4.32Å; T294-L298 VanDerWaalsContact O-CB 3.23Å; T294-L298 WeakPolarHBondContact O-CB 3.43Å; T294-L298 WeakPolarHBondContact O-CG 3.46Å; T294-L298 PolarHBondContact O-N 2.78Å
295S66.6Low63.7Low69 Ų6997.7 Ų97.748%0.48351%0.514SS..Hα-helixtrans-63-40.1172.5165.20000111.8T291 V292 E293 K299T291-S295 WeakPolarHBondContact O-CA 3.43Å; T291-S295 WeakPolarHBondContact O-CB 3.47Å; T291-S295 PolarHBondContact O-N 2.77Å; V292-S295 PolarHBondContact O-N 2.63Å; E293-S295 VanDerWaalsContact C-N 3.34Å; E293-S295 PolarHBondContact O-N 3.5Å; S295-K299 WeakPolarHBondContact O-CB 3.44Å; S295-K299 PolarHBondContact O-N 2.86Å
296R77.3Confident66Low161 Ų16198.9 Ų98.961%0.60852%0.517SS*.Hα-helixtrans-65.9-47.5177-77.4176.1179.7-178.1-2.2111.8V292 E293 K299 A300V292-R296 VanDerWaalsContact O-CG 3.32Å; V292-R296 WeakPolarHBondContact O-CG 3.21Å; V292-R296 PolarHBondContact O-N 3.18Å; E293-R296 PolarHBondContact O-N 3.14Å; R296-K299 PolarHBondContact O-N 3.43Å; R296-A300 WeakPolarHBondContact O-CB 3.49Å; R296-A300 PolarHBondContact O-N 3.11Å
297I79Confident68.3Low106 Ų106101.2 Ų101.254%0.54452%0.519SS..Hα-helixtrans-62.6-45.8176.8-65.1166.4000110.3E293 K299 A300 F301E293-I297 HydrophobicContact CG-CD1 4.32Å; E293-I297 WeakPolarHBondContact O-CG1 3.45Å; E293-I297 PolarHBondContact O-N 3.01Å; I297-K299 VanDerWaalsContact C-N 3.35Å; I297-K299 PolarHBondContact O-N 3.42Å; I297-A300 PolarHBondContact O-N 3.26Å; I297-F301 VanDerWaalsContact O-CB 3.22Å; I297-F301 WeakPolarHBondContact O-CB 3.36Å; I297-F301 PolarHBondContact O-N 3.32Å
298L79.7Confident70.7Confident102 Ų102100.3 Ų100.353%0.53453%0.527SS..Hα-helixtrans-62.2-41.8176.7-75.6170.4000112T294 F301 V302T294-L298 HydrophobicContact CG2-CD1 3.97Å; T294-L298 HydrophobicContact CG2-CG 4.32Å; T294-L298 VanDerWaalsContact O-CB 3.23Å; T294-L298 WeakPolarHBondContact O-CB 3.43Å; T294-L298 WeakPolarHBondContact O-CG 3.46Å; T294-L298 PolarHBondContact O-N 2.78Å; L298-F301 PolarHBondContact O-N 2.8Å; L298-V302 WeakPolarHBondContact O-CB 3.49Å; L298-V302 VanDerWaalsContact O-CG2 3.26Å; L298-V302 WeakPolarHBondContact O-CG2 3.3Å; L298-V302 PolarHBondContact O-N 3.22Å
299K82Confident72.6Confident127 Ų12798.4 Ų98.455%0.55251%0.512SS*.Hα-helixtrans-64.7-47.6177.9-176.3175.8173.4179.70110.9S295 R296 I297 F301 V302 E303S295-K299 WeakPolarHBondContact O-CB 3.44Å; S295-K299 PolarHBondContact O-N 2.86Å; R296-K299 PolarHBondContact O-N 3.43Å; I297-K299 VanDerWaalsContact C-N 3.35Å; I297-K299 PolarHBondContact O-N 3.42Å; K299-F301 VanDerWaalsContact C-N 3.3Å; K299-F301 PolarHBondContact O-N 2.83Å; K299-V302 PolarHBondContact O-N 2.85Å; K299-E303 WeakPolarHBondContact CE-OE1 3.48Å; K299-E303 HydrophobicContact CG-CG 4.47Å; K299-E303 WeakPolarHBondContact CG-OE1 3.29Å; K299-E303 IonicContact NZ-OE1 3.51Å; K299-E303 WeakPolarHBondContact O-CB 3.38Å; K299-E303 VanDerWaalsContact O-CG 3.25Å; K299-E303 WeakPolarHBondContact O-CG 3.42Å; K299-E303 PolarHBondContact O-N 3.31Å
300A85.9Confident74.2Confident52 Ų5294.4 Ų94.443%0.4348%0.484SS..Hα-helixtrans-60.2-40.8175.400000111.7R296 I297 E303 E304R296-A300 WeakPolarHBondContact O-CB 3.49Å; R296-A300 PolarHBondContact O-N 3.11Å; I297-A300 PolarHBondContact O-N 3.26Å; A300-E303 PolarHBondContact O-N 2.76Å; A300-E304 VanDerWaalsContact O-CB 3.25Å; A300-E304 WeakPolarHBondContact O-CB 3.39Å; A300-E304 PolarHBondContact O-N 2.83Å
301F84.2Confident75.1Confident97 Ų9797.5 Ų97.543%0.42550%0.5SS..Hα-helixtrans-66.9-41.7178.1-172.1-104.7000112.7I297 L298 K299 E303 E304 F305 F309I297-F301 VanDerWaalsContact O-CB 3.22Å; I297-F301 WeakPolarHBondContact O-CB 3.36Å; I297-F301 PolarHBondContact O-N 3.32Å; L298-F301 PolarHBondContact O-N 2.8Å; K299-F301 VanDerWaalsContact C-N 3.3Å; K299-F301 PolarHBondContact O-N 2.83Å; F301-E303 VanDerWaalsContact C-N 3.34Å; F301-E304 PolarHBondContact O-N 2.97Å; F301-F305 AromaticContact CD2-CD2 3.85Å; F301-F305 HydrophobicContact CD2-CD2 3.85Å; F301-F305 AromaticContact CD2-CE2 3.75Å; F301-F305 HydrophobicContact CD2-CE2 3.75Å; F301-F305 HydrophobicContact CE1-CD2 4.49Å; F301-F305 AromaticContact CE2-CD2 3.69Å; F301-F305 HydrophobicContact CE2-CD2 3.69Å; F301-F305 AromaticContact CE2-CE2 3.47Å; F301-F305 HydrophobicContact CE2-CE2 3.47Å; F301-F305 VanDerWaalsContact CE2-CE2 3.47Å; F301-F305 HydrophobicContact CG-CD2 4.31Å; F301-F305 HydrophobicContact CZ-CD2 4.03Å; F301-F305 HydrophobicContact CZ-CE2 4.17Å; F301-F305 WeakPolarHBondContact O-CD2 3.47Å; F301-F305 PolarHBondContact O-N 3.43Å; F301-F305 VanDerWaalsContact O-N 3.1Å; F301-F309 AromaticContact CD1-CE2 3.81Å; F301-F309 HydrophobicContact CD1-CE2 3.81Å; F301-F309 HydrophobicContact CD1-CZ 4.06Å; F301-F309 AromaticContact CE1-CE2 3.64Å; F301-F309 HydrophobicContact CE1-CE2 3.64Å; F301-F309 AromaticContact CE1-CZ 3.59Å; F301-F309 HydrophobicContact CE1-CZ 3.59Å
302V84.5Confident75.7Confident65 Ų65102.5 Ų102.539%0.39452%0.516SS..Hα-helixtrans-67.9-36.2175.1171.60000111.2L298 K299 F305 D306 F309L298-V302 WeakPolarHBondContact O-CB 3.49Å; L298-V302 VanDerWaalsContact O-CG2 3.26Å; L298-V302 WeakPolarHBondContact O-CG2 3.3Å; L298-V302 PolarHBondContact O-N 3.22Å; K299-V302 PolarHBondContact O-N 2.85Å; V302-F305 CarbonylContact O-C 3.59Å; V302-D306 VanDerWaalsContact O-CA 3.26Å; V302-D306 WeakPolarHBondContact O-CA 3.21Å; V302-D306 PolarHBondContact O-N 2.95Å; V302-F309 HydrophobicContact CB-CD2 4.46Å; V302-F309 HydrophobicContact CG1-CB 4.15Å; V302-F309 HydrophobicContact CG2-CD2 4.27Å; V302-F309 HydrophobicContact CG2-CG 4.4Å
303E86.2Confident76.3Confident122 Ų122101 Ų10157%0.5752%0.518SS*.Hα-helixtrans-70.4-38175.3-74171.8175.200112.3K299 A300 F301K299-E303 WeakPolarHBondContact CE-OE1 3.48Å; K299-E303 HydrophobicContact CG-CG 4.47Å; K299-E303 WeakPolarHBondContact CG-OE1 3.29Å; K299-E303 IonicContact NZ-OE1 3.51Å; K299-E303 WeakPolarHBondContact O-CB 3.38Å; K299-E303 VanDerWaalsContact O-CG 3.25Å; K299-E303 WeakPolarHBondContact O-CG 3.42Å; K299-E303 PolarHBondContact O-N 3.31Å; A300-E303 PolarHBondContact O-N 2.76Å; F301-E303 VanDerWaalsContact C-N 3.34Å
304E90.5Very high76.9Confident140 Ų14098.3 Ų98.365%0.65452%0.517SS*.Hα-helixtrans-65.7-39.9177.7-176.7176.2-177.700111.9A300 F301A300-E304 VanDerWaalsContact O-CB 3.25Å; A300-E304 WeakPolarHBondContact O-CB 3.39Å; A300-E304 PolarHBondContact O-N 2.83Å; F301-E304 PolarHBondContact O-N 2.97Å
305F86.2Confident78.1Confident75 Ų7597.4 Ų97.433%0.32952%0.516SS..THydrogen-bonded Turntrans-112.141.9179.5-57.4-75000111.6F301 V302 D307 V308 F309F301-F305 AromaticContact CD2-CD2 3.85Å; F301-F305 HydrophobicContact CD2-CD2 3.85Å; F301-F305 AromaticContact CD2-CE2 3.75Å; F301-F305 HydrophobicContact CD2-CE2 3.75Å; F301-F305 HydrophobicContact CE1-CD2 4.49Å; F301-F305 AromaticContact CE2-CD2 3.69Å; F301-F305 HydrophobicContact CE2-CD2 3.69Å; F301-F305 AromaticContact CE2-CE2 3.47Å; F301-F305 HydrophobicContact CE2-CE2 3.47Å; F301-F305 VanDerWaalsContact CE2-CE2 3.47Å; F301-F305 HydrophobicContact CG-CD2 4.31Å; F301-F305 HydrophobicContact CZ-CD2 4.03Å; F301-F305 HydrophobicContact CZ-CE2 4.17Å; F301-F305 WeakPolarHBondContact O-CD2 3.47Å; F301-F305 PolarHBondContact O-N 3.43Å; F301-F305 VanDerWaalsContact O-N 3.1Å; V302-F305 CarbonylContact O-C 3.59Å; F305-D307 PolarHBondContact O-N 3.38Å; F305-V308 HydrophobicContact CB-CB 4.15Å; F305-V308 HydrophobicContact CB-CG2 4.17Å; F305-V308 WeakPolarHBondContact O-CB 3.16Å; F305-V308 PolarHBondContact O-N 3.09Å; F305-F309 HydrophobicContact CB-CD2 3.89Å; F305-F309 HydrophobicContact CB-CE2 3.84Å; F305-F309 VanDerWaalsContact O-CD2 3.25Å; F305-F309 WeakPolarHBondContact O-CD2 3.36Å; F305-F309 PolarHBondContact O-N 3.35Å
306D83.7Confident79.1Confident99 Ų9995 Ų9553%0.52950%0.497SS..Hα-helixtrans-57.5-34.3-179.9-179.962.3000111.3V302 V308 F309 S310V302-D306 VanDerWaalsContact O-CA 3.26Å; V302-D306 WeakPolarHBondContact O-CA 3.21Å; V302-D306 PolarHBondContact O-N 2.95Å; D306-V308 VanDerWaalsContact C-N 3.29Å; D306-V308 PolarHBondContact O-N 3.31Å; D306-F309 PolarHBondContact O-N 3.45Å; D306-S310 WeakPolarHBondContact O-CA 3.36Å; D306-S310 WeakPolarHBondContact O-CB 3.26Å; D306-S310 PolarHBondContact O-N 3.06Å; D306-S310 PolarHBondContact O-OG 2.76Å
307D81.5Confident79.5Confident125 Ų12594.8 Ų94.867%0.66851%0.507SS*.Hα-helixtrans-61.1-36.2174.864.3-31.2000112.9F305 S310F305-D307 PolarHBondContact O-N 3.38Å; D307-S310 PolarHBondContact O-OG 3.06Å
308V83.2Confident79.9Confident99 Ų9993.6 Ų93.660%0.652%0.52SS*.Hα-helixtrans-78.8-40177.1-176.70000112.3F305 D306F305-V308 HydrophobicContact CB-CB 4.15Å; F305-V308 HydrophobicContact CB-CG2 4.17Å; F305-V308 WeakPolarHBondContact O-CB 3.16Å; F305-V308 PolarHBondContact O-N 3.09Å; D306-V308 VanDerWaalsContact C-N 3.29Å; D306-V308 PolarHBondContact O-N 3.31Å
309F80.6Confident80.4Confident94 Ų9492.1 Ų92.141%0.41251%0.508SS..Hα-helixtrans-90-12.2-176.5-68-66.4000114F301 V302 F305 D306F301-F309 AromaticContact CD1-CE2 3.81Å; F301-F309 HydrophobicContact CD1-CE2 3.81Å; F301-F309 HydrophobicContact CD1-CZ 4.06Å; F301-F309 AromaticContact CE1-CE2 3.64Å; F301-F309 HydrophobicContact CE1-CE2 3.64Å; F301-F309 AromaticContact CE1-CZ 3.59Å; F301-F309 HydrophobicContact CE1-CZ 3.59Å; V302-F309 HydrophobicContact CB-CD2 4.46Å; V302-F309 HydrophobicContact CG1-CB 4.15Å; V302-F309 HydrophobicContact CG2-CD2 4.27Å; V302-F309 HydrophobicContact CG2-CG 4.4Å; F305-F309 HydrophobicContact CB-CD2 3.89Å; F305-F309 HydrophobicContact CB-CE2 3.84Å; F305-F309 VanDerWaalsContact O-CD2 3.25Å; F305-F309 WeakPolarHBondContact O-CD2 3.36Å; F305-F309 PolarHBondContact O-N 3.35Å; D306-F309 PolarHBondContact O-N 3.45Å
310S71.5Confident81Confident32 Ų3291 Ų9122%0.22451%0.505CS..SBendtrans-65.2145.3176.271.40000111D306 D307 K312D306-S310 WeakPolarHBondContact O-CA 3.36Å; D306-S310 WeakPolarHBondContact O-CB 3.26Å; D306-S310 PolarHBondContact O-N 3.06Å; D306-S310 PolarHBondContact O-OG 2.76Å; D307-S310 PolarHBondContact O-OG 3.06Å; S310-K312 PolarHBondContact O-N 2.62Å; S310-K312 VanDerWaalsContact O-N 3.09Å
311H62.4Low81.4Confident172 Ų17288.5 Ų88.580%0.79648%0.484SS*.  trans-75.912.8177.2-64.7-41000114G313H311-G313 PolarHBondContact O-N 3.11Å
312K62Low81.9Confident174 Ų17485.6 Ų85.676%0.75748%0.478SS*.SBendtrans-78.7124.8-178.7-66.5-178.9-178.2171.80108.4S310 G314S310-K312 PolarHBondContact O-N 2.62Å; S310-K312 VanDerWaalsContact O-N 3.09Å; K312-G314 VanDerWaalsContact C-N 3.31Å; K312-G314 PolarHBondContact O-N 3.48Å
313G60.7Low82.4Confident55 Ų5582.9 Ų82.957%0.56746%0.461SS*.  trans-61.982.3-172.300000113.9H311H311-G313 PolarHBondContact O-N 3.11Å
314G69.8Low82.7Confident45 Ų4581.8 Ų81.846%0.46446%0.456SS..  trans-60.2157.7176.300000112.5K312 R458K312-G314 VanDerWaalsContact C-N 3.31Å; K312-G314 PolarHBondContact O-N 3.48Å; G314-R458 PolarHBondContact O-NH1 3.45Å
315A81.9Confident82.9Confident35 Ų3576.4 Ų76.429%0.28943%0.432SS..  trans-120.4147.5168.300000109.3I317 Q434 E436A315-I317 PolarHBondContact O-N 3.32Å; A315-I317 VanDerWaalsContact O-N 3.13Å; A315-Q434 CarbonylContact C-O 3.53Å; A315-Q434 WeakPolarHBondContact CA-O 3.41Å; A315-E436 HydrophobicContact CB-CG 4.14Å
316I87.7Confident83.2Confident18 Ų1879.1 Ų79.19%0.09244%0.44CS..  trans-65.3113.9168.1-58.8179.4000107.4G318 Y319 Q434 M435 F470 T473 I477I316-G318 PolarHBondContact O-N 3.06Å; I316-Y319 HydrophobicContact CG2-CD2 3.65Å; I316-Y319 HydrophobicContact CG2-CG 4.12Å; I316-Q434 HydrophobicContact CG1-CB 4.04Å; I316-Q434 PolarHBondContact N-O 2.95Å; I316-M435 HydrophobicContact CD1-CB 4.25Å; I316-M435 HydrophobicContact CD1-CE 4.14Å; I316-F470 HydrophobicContact CD1-CD2 4.45Å; I316-F470 HydrophobicContact CD1-CE2 3.66Å; I316-F470 HydrophobicContact CD1-CZ 4.13Å; I316-T473 HydrophobicContact CD1-CG2 4.47Å; I316-T473 HydrophobicContact CG2-CG2 4.24Å; I316-I477 HydrophobicContact CG2-CD1 3.47Å; I316-I477 VanDerWaalsContact CG2-CD1 3.47Å
317I85.5Confident83.6Confident157 Ų15784.3 Ų84.381%0.80546%0.461SS*.THydrogen-bonded Turntrans-71.3127.1-174.6-57.2175.3000109.7A315 Y319A315-I317 PolarHBondContact O-N 3.32Å; A315-I317 VanDerWaalsContact O-N 3.13Å; I317-Y319 VanDerWaalsContact O-CD2 3.27Å; I317-Y319 WeakPolarHBondContact O-CD2 3.34Å
318G87.8Confident84.1Confident80 Ų8084.6 Ų84.683%0.82546%0.462SS*.THydrogen-bonded Turntrans86.10.3172.600000115.6I316I316-G318 PolarHBondContact O-N 3.06Å
319Y91.7Very high84.5Confident71 Ų7180.9 Ų80.928%0.27844%0.442SS..  trans-120.5136.2179.8-64.2-95.4000111.2I316 I317 T473 Q476 I477I316-Y319 HydrophobicContact CG2-CD2 3.65Å; I316-Y319 HydrophobicContact CG2-CG 4.12Å; I317-Y319 VanDerWaalsContact O-CD2 3.27Å; I317-Y319 WeakPolarHBondContact O-CD2 3.34Å; Y319-T473 HydrophobicContact CD1-CG2 3.57Å; Y319-T473 HydrophobicContact CD2-CG2 4.14Å; Y319-T473 HydrophobicContact CE1-CG2 4.01Å; Y319-T473 HydrophobicContact CG-CG2 3.64Å; Y319-Q476 HydrophobicContact CE1-CB 4.5Å; Y319-I477 HydrophobicContact CD2-CD1 4.29Å; Y319-I477 HydrophobicContact CD2-CG1 4.4Å; Y319-I477 HydrophobicContact CE2-CD1 4.08Å; Y319-I477 HydrophobicContact CE2-CG1 3.7Å
320Q93.4Very high85.1Confident104 Ų10480.9 Ų80.949%0.48645%0.449SS..EExtended strand (participates in β ladder)trans-133.4138.7175.6-66.7-172.2-28.100111E436 A438Q320-E436 CarbonylContact C-O 3.55Å; Q320-E436 VanDerWaalsContact CA-O 3.29Å; Q320-E436 WeakPolarHBondContact CA-O 3.46Å; Q320-E436 HydrophobicContact CG-CB 4.21Å; Q320-E436 PolarHBondContact NE2-OE2 2.77Å; Q320-A438 HydrophobicContact CB-CB 4.32Å
321A94.8Very high86.2Confident0 Ų082.7 Ų82.70%046%0.46CS..EExtended strand (participates in β ladder)trans-78.4123.2172.100000110.7M435 E436 V437 A438 L459 L469A321-M435 HydrophobicContact CB-CG 4.2Å; A321-M435 HydrophobicContact CB-SD 3.87Å; A321-E436 PolarHBondContact N-O 2.97Å; A321-V437 HydrophobicContact CB-CG2 4.31Å; A321-A438 PolarHBondContact O-N 3.33Å; A321-L459 HydrophobicContact CB-CB 4.34Å; A321-L459 HydrophobicContact CB-CD1 3.98Å; A321-L469 HydrophobicContact CB-CD2 3.62Å
322A94.5Very high87.7Confident36 Ų3680 Ų8030%0.29844%0.443SS..  trans-105.5137.2169.600000110S441A322-S441 WeakPolarHBondContact CA-OG 3.17Å
323V94.4Very high89.2Confident7 Ų775.2 Ų75.24%0.04243%0.429CS..  trans-98.4111.3176.1-178.90000107.8I325 V400 S441 Y444 L445 F465V323-I325 HydrophobicContact CG1-CD1 3.78Å; V323-I325 HydrophobicContact CG1-CG1 3.98Å; V323-V400 HydrophobicContact CG1-CG2 4.24Å; V323-S441 PolarHBondContact N-OG 3.42Å; V323-Y444 HydrophobicContact CB-CD2 3.81Å; V323-Y444 HydrophobicContact CB-CG 4.4Å; V323-Y444 HydrophobicContact CG1-CD2 3.9Å; V323-Y444 HydrophobicContact CG1-CG 4.06Å; V323-L445 HydrophobicContact CG2-CD1 4.16Å; V323-L445 HydrophobicContact CG2-CD2 4.06Å; V323-L445 HydrophobicContact CG2-CG 4.12Å; V323-F465 HydrophobicContact CB-CE1 4.26Å; V323-F465 HydrophobicContact CB-CZ 4.37Å; V323-F465 HydrophobicContact CG1-CE1 4.15Å; V323-F465 HydrophobicContact CG2-CE1 3.87Å; V323-F465 HydrophobicContact CG2-CZ 3.72Å
324H93.6Very high90.8Very high99 Ų9976.4 Ų76.446%0.45842%0.418SS..  trans-95117.6174.8-61.7-68.7000110.1V400 I401H324-V400 CarbonylContact O-C 3.51Å; H324-V400 WeakPolarHBondContact O-CA 3.29Å; H324-I401 HydrophobicContact CB-CB 4.16Å; H324-I401 PolarHBondContact O-N 3.07Å
325I93.6Very high92Very high28 Ų2883.2 Ų83.214%0.14444%0.435CS..BIsolated β-bridgetrans-109.2142179.7-61.3-63.9000109V323 A329 W372 I396 H399 V400 Y444V323-I325 HydrophobicContact CG1-CD1 3.78Å; V323-I325 HydrophobicContact CG1-CG1 3.98Å; I325-A329 HydrophobicContact CG2-CB 3.18Å; I325-W372 HydrophobicContact CG2-CZ2 4.43Å; I325-I396 HydrophobicContact CD1-CB 4.24Å; I325-H399 HydrophobicContact CG2-CB 4.08Å; I325-V400 HydrophobicContact CD1-CB 4.49Å; I325-V400 HydrophobicContact CD1-CG2 3.67Å; I325-Y444 HydrophobicContact CB-CE1 4.42Å; I325-Y444 HydrophobicContact CD1-CD1 4.47Å; I325-Y444 HydrophobicContact CG1-CD1 3.8Å; I325-Y444 HydrophobicContact CG1-CD2 4.38Å; I325-Y444 HydrophobicContact CG1-CE1 3.73Å; I325-Y444 HydrophobicContact CG1-CE2 4.31Å; I325-Y444 HydrophobicContact CG1-CG 4.14Å
326R93.8Very high92.6Very high131 Ų13183.3 Ų83.349%0.49444%0.436SS..  trans-60.3143.3174.3-66.1177-172.9152.53.8111.2N328 A329 P398 H399 I401R326-N328 WeakPolarHBondContact CB-OD1 3.43Å; R326-N328 PolarHBondContact O-N 2.99Å; R326-N328 VanDerWaalsContact O-N 3.15Å; R326-A329 WeakPolarHBondContact O-CB 2.95Å; R326-A329 PolarHBondContact O-N 3.36Å; R326-P398 PolarHBondContact NH1-O 2.92Å; R326-H399 WeakPolarHBondContact CG-O 2.99Å; R326-H399 PolarHBondContact N-O 3.19Å; R326-I401 HydrophobicContact CG-CD1 4.29Å; R326-I401 HydrophobicContact CG-CG1 3.69Å
327E90.7Very high92.9Very high208 Ų20887.2 Ų87.297%0.97245%0.45SS*.THydrogen-bonded Turntrans-57.6-33-177.6-64.1179.8174.100113.8A329E327-A329 VanDerWaalsContact C-N 3.3Å; E327-A329 PolarHBondContact O-N 3.29Å
328N91.9Very high93.2Very high132 Ų13285.9 Ų85.971%0.70645%0.451SS*.THydrogen-bonded Turntrans-88.713179.168.2-15.1000114.1R326 T330R326-N328 WeakPolarHBondContact CB-OD1 3.43Å; R326-N328 PolarHBondContact O-N 2.99Å; R326-N328 VanDerWaalsContact O-N 3.15Å; N328-T330 PolarHBondContact O-N 2.86Å
329A92.9Very high93.4Very high20 Ų2083.1 Ų83.117%0.16542%0.418CS..PPolyproline II helixtrans-67.3130.2-178.500000111.7I325 R326 E327 P331 W372 H399I325-A329 HydrophobicContact CG2-CB 3.18Å; R326-A329 WeakPolarHBondContact O-CB 2.95Å; R326-A329 PolarHBondContact O-N 3.36Å; E327-A329 VanDerWaalsContact C-N 3.3Å; E327-A329 PolarHBondContact O-N 3.29Å; A329-P331 WeakPolarHBondContact O-CD 3.43Å; A329-W372 HydrophobicContact CB-CH2 4.3Å; A329-W372 HydrophobicContact CB-CZ2 4.14Å; A329-H399 HydrophobicContact CB-CB 3.68Å
330T92.5Very high93.3Very high94 Ų9483.3 Ų83.358%0.57743%0.428SS*.PPolyproline II helixtrans-92.6119.6175.3-33.30000109.3N328 W372N328-T330 PolarHBondContact O-N 2.86Å; T330-W372 WeakPolarHBondContact O-CH2 3.49Å
331P94Very high93.1Very high70 Ų7087.7 Ų87.746%0.45545%0.446SS..PPolyproline II helixtrans-58.3144179.6-2232.1000113.2A329 T371 W372A329-P331 WeakPolarHBondContact O-CD 3.43Å; P331-T371 CarbonylContact C-O 3.34Å; P331-T371 WeakPolarHBondContact CB-O 3.11Å; P331-W372 HydrophobicContact CB-CD2 4.27Å; P331-W372 HydrophobicContact CB-CZ2 4.19Å; P331-W372 HydrophobicContact CG-CZ2 4.35Å
332R94Very high92.8Very high116 Ų11692.2 Ų92.244%0.43848%0.478SS..  trans-133.4118.6-178.2-66.2-174.4177.5-152.3-3.8111.3F334 T371 W372 A373 V394 T395R332-F334 HydrophobicContact CB-CE2 4.06Å; R332-T371 PolarHBondContact N-O 3.39Å; R332-W372 HydrophobicContact CB-CE3 4.2Å; R332-W372 HydrophobicContact CB-CZ3 4.07Å; R332-W372 HydrophobicContact CG-CZ3 4.29Å; R332-W372 WeakPolarHBondContact O-CA 3.26Å; R332-A373 PolarHBondContact O-N 3.07Å; R332-V394 WeakPolarHBondContact CD-O 3.38Å; R332-T395 HydrophobicContact CB-CG2 4.18Å; R332-T395 WeakPolarHBondContact O-CG2 3.49Å
333T94.6Very high92.6Very high73 Ų7391.9 Ų91.945%0.44847%0.47SS..BIsolated β-bridgetrans-113.2118.8176.4-57.70000109.7I370 T371 A373 F453T333-I370 HydrophobicContact CG2-CG2 4.24Å; T333-I370 PolarHBondContact OG1-O 3.41Å; T333-T371 PolarHBondContact OG1-O 3.41Å; T333-T371 VanDerWaalsContact OG1-O 3.11Å; T333-A373 HydrophobicContact CG2-CB 3.72Å; T333-F453 HydrophobicContact CG2-CE1 4.49Å
334F94.8Very high92.5Very high80 Ų8096.6 Ų96.635%0.35149%0.487SS..  trans-105.2149175.6-75.5-99000111.3R332 A373 P375 V394 T395 A448R332-F334 HydrophobicContact CB-CE2 4.06Å; F334-A373 PolarHBondContact N-O 3.22Å; F334-P375 HydrophobicContact CB-CG 4.29Å; F334-V394 HydrophobicContact CD2-CG2 3.95Å; F334-V394 HydrophobicContact CE1-CG2 4.4Å; F334-V394 HydrophobicContact CE2-CB 4.1Å; F334-V394 HydrophobicContact CE2-CG2 3.76Å; F334-V394 WeakPolarHBondContact CE2-O 3.45Å; F334-V394 HydrophobicContact CG-CG2 4.34Å; F334-V394 HydrophobicContact CZ-CB 4.02Å; F334-V394 HydrophobicContact CZ-CG2 4Å; F334-T395 HydrophobicContact CD2-CG2 3.51Å; F334-T395 HydrophobicContact CE2-CG2 3.8Å; F334-A448 VanDerWaalsContact O-CB 3.23Å; F334-A448 WeakPolarHBondContact O-CB 3.09Å
335K93.1Very high92.5Very high189 Ų18997.4 Ų97.482%0.82249%0.491SS*.PPolyproline II helixtrans-72.5156.4169.1-65.8-177.5178.8-177.20110.8
336A94.9Very high92.5Very high36 Ų3699 Ų9930%0.29850%0.498SS..PPolyproline II helixtrans-58.1140.917300000111.5A448 T449A336-A448 HydrophobicContact CB-CB 4.38Å; A336-T449 VanDerWaalsContact CB-O 3.27Å; A336-T449 WeakPolarHBondContact CB-O 3.37Å
337R94.4Very high92.5Very high101 Ų10192.7 Ų92.738%0.38148%0.475SS..PPolyproline II helixtrans-77.7144.1170.8-74.7173.5-177.2167.84.8109.4V339 P375 D391R337-V339 PolarHBondContact O-N 3.45Å; R337-P375 HydrophobicContact CG-CB 3.85Å; R337-D391 IonicContact CZ-OD2 2.96Å; R337-D391 VanDerWaalsContact CZ-OD2 3.29Å; R337-D391 IonicContact NH1-OD2 2.84Å; R337-D391 PolarHBondContact NH1-OD2 3.3Å; R337-D391 IonicContact NH2-OD2 3.9Å; R337-D391 PolarHBondContact NH2-OD2 2.98Å
338P92.4Very high92.7Very high129 Ų12984.4 Ų84.484%0.83844%0.436SS*.PPolyproline II helixtrans-56.7124.8170.9-23.933.8000110.6
339V91.2Very high92.9Very high22 Ų2282.1 Ų82.113%0.13342%0.424CS..PPolyproline II helixtrans-87.5128.8171.8179.50000108R337 F341 L343 V347 I376R337-V339 PolarHBondContact O-N 3.45Å; V339-F341 PolarHBondContact O-N 2.98Å; V339-L343 HydrophobicContact CG1-CB 4.25Å; V339-V347 HydrophobicContact CG1-CB 4.35Å; V339-V347 HydrophobicContact CG1-CG2 3.92Å; V339-I376 HydrophobicContact CG2-CD1 4.49Å
340P89.3Confident92.9Very high75 Ų7583 Ų8349%0.48742%0.424SS..PPolyproline II helixtrans-53.8137.3175.1-25.834.5000111.3S342 L343 R344P340-S342 PolarHBondContact O-N 3.49Å; P340-S342 VanDerWaalsContact O-N 3.11Å; P340-L343 HydrophobicContact CG-CD1 4.37Å; P340-L343 PolarHBondContact O-N 2.8Å; P340-R344 PolarHBondContact O-N 3.06Å
341F89.3Confident93.1Very high196 Ų19678.5 Ų78.586%0.8640%0.397SS*.Hα-helixtrans-51.1-40.5-177.5-177.8-100.7000112.7V339 L343 R344V339-F341 PolarHBondContact O-N 2.98Å; F341-L343 PolarHBondContact O-N 3.27Å; F341-R344 WeakPolarHBondContact O-CB 3.46Å; F341-R344 PolarHBondContact O-N 3.43Å
342S89.4Confident93.1Very high95 Ų9579 Ų7966%0.66439%0.393SS*.Hα-helixtrans-64.9-20.2179.1630000115.2P340P340-S342 PolarHBondContact O-N 3.49Å; P340-S342 VanDerWaalsContact O-N 3.11Å
343L90.6Very high93.1Very high28 Ų2876.5 Ų76.515%0.14738%0.383CS..Hα-helixtrans-106-7.2179.7-62.6-179.8000112.3V339 P340 F341 Q345 Q346 V347 V380 V386V339-L343 HydrophobicContact CG1-CB 4.25Å; P340-L343 HydrophobicContact CG-CD1 4.37Å; P340-L343 PolarHBondContact O-N 2.8Å; F341-L343 PolarHBondContact O-N 3.27Å; L343-Q345 PolarHBondContact O-N 2.92Å; L343-Q346 VanDerWaalsContact CD2-OE1 3.25Å; L343-Q346 PolarHBondContact O-N 3.23Å; L343-V347 HydrophobicContact CB-CG2 4.49Å; L343-V347 VanDerWaalsContact O-CG2 3.29Å; L343-V347 WeakPolarHBondContact O-CG2 3.48Å; L343-V347 PolarHBondContact O-N 2.96Å; L343-V380 HydrophobicContact CD1-CG2 3.72Å; L343-V380 HydrophobicContact CD2-CG2 3.69Å; L343-V380 HydrophobicContact CG-CG2 4.38Å; L343-V386 HydrophobicContact CD2-CG1 4.2Å
344R92.1Very high93.1Very high106 Ų10673.3 Ų73.340%0.436%0.363SS..Hα-helixtrans-58.8-52.2-168.9-172.8176.8-178.3126.2-6.2112P340 F341 Q346 V347 E348 H450P340-R344 PolarHBondContact O-N 3.06Å; F341-R344 WeakPolarHBondContact O-CB 3.46Å; F341-R344 PolarHBondContact O-N 3.43Å; R344-Q346 VanDerWaalsContact C-N 3.34Å; R344-Q346 PolarHBondContact O-N 3.29Å; R344-V347 PolarHBondContact O-N 3.19Å; R344-V347 VanDerWaalsContact O-N 3.15Å; R344-E348 HydrophobicContact CG-CG 4.49Å; R344-E348 VanDerWaalsContact CG-OE1 3.32Å; R344-E348 WeakPolarHBondContact CG-OE1 3.45Å; R344-E348 IonicContact CZ-OE1 3.29Å; R344-E348 IonicContact NE-OE1 2.72Å; R344-E348 PolarHBondContact NE-OE1 2.86Å; R344-E348 IonicContact NH2-OE1 3.19Å; R344-E348 WeakPolarHBondContact O-CG 3.24Å; R344-E348 PolarHBondContact O-N 3.18Å; R344-H450 VanDerWaalsContact CZ-CD2 3.49Å; R344-H450 PolarHBondContact NH2-CD2 2.62Å
345Q93.1Very high93.1Very high116 Ų11671.4 Ų71.454%0.54236%0.357SS..Hα-helixtrans-57.6-47.2179-170.161.251.800111.6L343 V347 E348 D349L343-Q345 PolarHBondContact O-N 2.92Å; Q345-V347 VanDerWaalsContact C-N 3.25Å; Q345-V347 PolarHBondContact O-N 3.37Å; Q345-E348 PolarHBondContact O-N 3.39Å; Q345-E348 VanDerWaalsContact O-N 3.08Å; Q345-D349 PolarHBondContact NE2-OD1 3.09Å; Q345-D349 PolarHBondContact O-N 3.09Å
346Q92.9Very high93.1Very high61 Ų6170.2 Ų70.229%0.28535%0.354SS..Hα-helixtrans-60.3-35.6180-63.3168.6-3.900112.4L343 R344 E350 G384 V386L343-Q346 VanDerWaalsContact CD2-OE1 3.25Å; L343-Q346 PolarHBondContact O-N 3.23Å; R344-Q346 VanDerWaalsContact C-N 3.34Å; R344-Q346 PolarHBondContact O-N 3.29Å; Q346-E350 WeakPolarHBondContact O-CB 3.3Å; Q346-E350 PolarHBondContact O-N 2.9Å; Q346-E350 VanDerWaalsContact O-N 3.09Å; Q346-G384 PolarHBondContact NE2-O 3.19Å; Q346-G384 VanDerWaalsContact NE2-O 3.1Å; Q346-G384 PolarHBondContact OE1-O 3.35Å; Q346-V386 VanDerWaalsContact C-CG2 3.47Å; Q346-V386 HydrophobicContact CB-CB 4.47Å; Q346-V386 HydrophobicContact CB-CG1 3.79Å; Q346-V386 HydrophobicContact CB-CG2 3.87Å; Q346-V386 WeakPolarHBondContact O-CG2 3.44Å
347V94.3Very high92.9Very high0 Ų072 Ų720%036%0.356CS..Hα-helixtrans-72.9-39.4176.71750000111.1V339 L343 R344 Q345 E350 I351 I376 C378 V386 I388V339-V347 HydrophobicContact CG1-CB 4.35Å; V339-V347 HydrophobicContact CG1-CG2 3.92Å; L343-V347 HydrophobicContact CB-CG2 4.49Å; L343-V347 VanDerWaalsContact O-CG2 3.29Å; L343-V347 WeakPolarHBondContact O-CG2 3.48Å; L343-V347 PolarHBondContact O-N 2.96Å; R344-V347 PolarHBondContact O-N 3.19Å; R344-V347 VanDerWaalsContact O-N 3.15Å; Q345-V347 VanDerWaalsContact C-N 3.25Å; Q345-V347 PolarHBondContact O-N 3.37Å; V347-E350 PolarHBondContact O-N 3.36Å; V347-I351 HydrophobicContact CG1-CD1 4.12Å; V347-I351 VanDerWaalsContact O-CG1 3.3Å; V347-I351 WeakPolarHBondContact O-CG1 3.44Å; V347-I351 PolarHBondContact O-N 3.09Å; V347-I376 HydrophobicContact CG1-CD1 3.9Å; V347-C378 HydrophobicContact CG2-CB 4Å; V347-C378 WeakPolarHBondContact CG2-SG 3.35Å; V347-V386 HydrophobicContact CG2-CG2 4.07Å; V347-I388 HydrophobicContact CG1-CD1 4.02Å; V347-I388 HydrophobicContact CG1-CG1 4.44Å
348E95.8Very high92.8Very high34 Ų3470.9 Ų70.916%0.15936%0.358CS..Hα-helixtrans-63.5-47.8174.9-65179.8-173.100110.5R344 Q345 E350 I351 H352 H450 L451R344-E348 HydrophobicContact CG-CG 4.49Å; R344-E348 VanDerWaalsContact CG-OE1 3.32Å; R344-E348 WeakPolarHBondContact CG-OE1 3.45Å; R344-E348 IonicContact CZ-OE1 3.29Å; R344-E348 IonicContact NE-OE1 2.72Å; R344-E348 PolarHBondContact NE-OE1 2.86Å; R344-E348 IonicContact NH2-OE1 3.19Å; R344-E348 WeakPolarHBondContact O-CG 3.24Å; R344-E348 PolarHBondContact O-N 3.18Å; Q345-E348 PolarHBondContact O-N 3.39Å; Q345-E348 VanDerWaalsContact O-N 3.08Å; E348-E350 VanDerWaalsContact C-N 3.31Å; E348-E350 PolarHBondContact O-N 3.47Å; E348-I351 PolarHBondContact O-N 3.3Å; E348-I351 VanDerWaalsContact O-N 3.15Å; E348-H352 PolarHBondContact O-CD2 3.24Å; E348-H352 PolarHBondContact O-N 2.84Å; E348-H450 WeakPolarHBondContact CG-NE2 3.42Å; E348-H450 IonicContact OE1-CD2 3.29Å; E348-H450 PolarHBondContact OE1-CD2 3.47Å; E348-H450 IonicContact OE1-NE2 3.33Å; E348-H450 PolarHBondContact OE1-NE2 2.69Å; E348-L451 HydrophobicContact CB-CD1 4.24Å; E348-L451 HydrophobicContact CG-CD1 3.9Å; E348-L451 HydrophobicContact CG-CD2 4.12Å; E348-L451 HydrophobicContact CG-CG 4.16Å
349D94.8Very high92.9Very high84 Ų8465.2 Ų65.245%0.44932%0.32SS..Hα-helixtrans-57.5-42.6176.6-59.9-19.9000111.7Q345 H352 R353Q345-D349 PolarHBondContact NE2-OD1 3.09Å; Q345-D349 PolarHBondContact O-N 3.09Å; D349-H352 PolarHBondContact O-N 2.79Å; D349-R353 WeakPolarHBondContact O-CB 3.28Å; D349-R353 PolarHBondContact O-N 3.01Å
350E93.6Very high93.2Very high38 Ų3864.2 Ų64.218%0.17831%0.314CS..Hα-helixtrans-68.5-37178.1-178.364.7-178.200112.2Q346 V347 E348 R353 M354 V386 I388Q346-E350 WeakPolarHBondContact O-CB 3.3Å; Q346-E350 PolarHBondContact O-N 2.9Å; Q346-E350 VanDerWaalsContact O-N 3.09Å; V347-E350 PolarHBondContact O-N 3.36Å; E348-E350 VanDerWaalsContact C-N 3.31Å; E348-E350 PolarHBondContact O-N 3.47Å; E350-R353 IonicContact OE1-CZ 3.46Å; E350-R353 IonicContact OE1-NE 2.68Å; E350-R353 IonicContact OE1-NH2 2.96Å; E350-R353 PolarHBondContact OE1-NH2 3.4Å; E350-R353 IonicContact OE2-CZ 2.86Å; E350-R353 IonicContact OE2-NE 3.16Å; E350-R353 PolarHBondContact OE2-NE 3.26Å; E350-R353 IonicContact OE2-NH2 3.31Å; E350-M354 HydrophobicContact CG-SD 4.29Å; E350-M354 WeakPolarHBondContact O-CB 3.34Å; E350-M354 WeakPolarHBondContact O-CG 3.5Å; E350-M354 PolarHBondContact O-N 3.43Å; E350-V386 HydrophobicContact CB-CG2 4.01Å; E350-V386 HydrophobicContact CG-CG2 4.49Å; E350-I388 HydrophobicContact CB-CD1 3.9Å; E350-I388 HydrophobicContact CB-CG1 4.38Å; E350-I388 HydrophobicContact CG-CD1 3.7Å; E350-I388 HydrophobicContact CG-CG1 3.88Å
351I95.6Very high93.5Very high0 Ų063.4 Ų63.40%030%0.304CS..Hα-helixtrans-64.1-44.2172.6-69.2166.6000110.2V347 E348 M354 L355 L360 I388 T449 L451 F454V347-I351 HydrophobicContact CG1-CD1 4.12Å; V347-I351 VanDerWaalsContact O-CG1 3.3Å; V347-I351 WeakPolarHBondContact O-CG1 3.44Å; V347-I351 PolarHBondContact O-N 3.09Å; E348-I351 PolarHBondContact O-N 3.3Å; E348-I351 VanDerWaalsContact O-N 3.15Å; I351-M354 PolarHBondContact O-N 2.98Å; I351-L355 HydrophobicContact CG2-CD1 4.11Å; I351-L355 WeakPolarHBondContact O-CG 3.39Å; I351-L355 PolarHBondContact O-N 2.76Å; I351-L360 HydrophobicContact CG2-CD1 4.43Å; I351-I388 HydrophobicContact CD1-CD1 4.26Å; I351-I388 HydrophobicContact CG1-CD1 3.49Å; I351-I388 VanDerWaalsContact CG1-CD1 3.49Å; I351-T449 HydrophobicContact CD1-CG2 3.92Å; I351-L451 HydrophobicContact CD1-CD1 4.21Å; I351-L451 HydrophobicContact CG2-CD1 4.47Å; I351-F454 HydrophobicContact CG2-CD1 4.47Å; I351-F454 HydrophobicContact CG2-CE1 4Å; I351-F454 HydrophobicContact CG2-CE2 4.12Å; I351-F454 HydrophobicContact CG2-CZ 3.81Å
352H95.7Very high93.9Very high80 Ų8060.9 Ų60.937%0.3729%0.289SS..Hα-helixtrans-60.9-46.3177.9-78.8-66.7000111.8E348 D349 M354 L355 E356E348-H352 PolarHBondContact O-CD2 3.24Å; E348-H352 PolarHBondContact O-N 2.84Å; D349-H352 PolarHBondContact O-N 2.79Å; H352-M354 VanDerWaalsContact C-N 3.33Å; H352-M354 PolarHBondContact O-N 3.15Å; H352-L355 WeakPolarHBondContact O-CB 3.46Å; H352-L355 PolarHBondContact O-N 2.97Å; H352-L355 VanDerWaalsContact O-N 3.11Å; H352-E356 WeakPolarHBondContact O-CG 3.39Å; H352-E356 PolarHBondContact O-N 3.08Å
353R93.4Very high94.2Very high63 Ų6357 Ų5724%0.23826%0.261CS..Hα-helixtrans-55.8-46.2173.1-172.9-169.871.978.27.4112.1D349 E350 L355 E356 E357D349-R353 WeakPolarHBondContact O-CB 3.28Å; D349-R353 PolarHBondContact O-N 3.01Å; E350-R353 IonicContact OE1-CZ 3.46Å; E350-R353 IonicContact OE1-NE 2.68Å; E350-R353 IonicContact OE1-NH2 2.96Å; E350-R353 PolarHBondContact OE1-NH2 3.4Å; E350-R353 IonicContact OE2-CZ 2.86Å; E350-R353 IonicContact OE2-NE 3.16Å; E350-R353 PolarHBondContact OE2-NE 3.26Å; E350-R353 IonicContact OE2-NH2 3.31Å; R353-L355 VanDerWaalsContact C-N 3.28Å; R353-L355 PolarHBondContact O-N 3.15Å; R353-E356 PolarHBondContact O-N 3.11Å; R353-E357 WeakPolarHBondContact CG-OE1 3.37Å; R353-E357 IonicContact CZ-OE1 2.63Å; R353-E357 IonicContact CZ-OE2 3.55Å; R353-E357 IonicContact NH1-OE1 3.8Å; R353-E357 PolarHBondContact NH1-OE1 2.92Å; R353-E357 IonicContact NH1-OE2 2.66Å; R353-E357 PolarHBondContact NH1-OE2 2.9Å; R353-E357 WeakPolarHBondContact O-CB 3.45Å; R353-E357 WeakPolarHBondContact O-CG 3.16Å; R353-E357 PolarHBondContact O-N 2.94Å
354M93.9Very high94.3Very high6 Ų660 Ų603%0.0328%0.277CS..Hα-helixtrans-67.4-26.5179.3-69.7174.384.200113.3E350 I351 H352 D358 I359 L360 F456E350-M354 HydrophobicContact CG-SD 4.29Å; E350-M354 WeakPolarHBondContact O-CB 3.34Å; E350-M354 WeakPolarHBondContact O-CG 3.5Å; E350-M354 PolarHBondContact O-N 3.43Å; I351-M354 PolarHBondContact O-N 2.98Å; H352-M354 VanDerWaalsContact C-N 3.33Å; H352-M354 PolarHBondContact O-N 3.15Å; M354-D358 PolarHBondContact O-N 3.05Å; M354-I359 HydrophobicContact CB-CB 4.16Å; M354-I359 HydrophobicContact CB-CG2 4.48Å; M354-I359 HydrophobicContact CE-CB 4.5Å; M354-I359 HydrophobicContact CE-CG2 3.58Å; M354-I359 HydrophobicContact CG-CD1 4.47Å; M354-I359 WeakPolarHBondContact O-CA 3.45Å; M354-I359 WeakPolarHBondContact O-CB 3.27Å; M354-I359 PolarHBondContact O-N 3.02Å; M354-L360 HydrophobicContact CB-CB 4.41Å; M354-L360 HydrophobicContact CB-CD1 3.72Å; M354-L360 HydrophobicContact CB-CG 3.9Å; M354-L360 HydrophobicContact CE-CD1 4.18Å; M354-L360 HydrophobicContact CE-CG 4.14Å; M354-L360 PolarHBondContact O-N 3.34Å; M354-L360 HydrophobicContact SD-CD1 4.05Å; M354-F456 HydrophobicContact CE-CD1 4.45Å; M354-F456 HydrophobicContact CE-CE1 3.42Å; M354-F456 VanDerWaalsContact CE-CE1 3.42Å; M354-F456 HydrophobicContact CE-CZ 3.97Å
355L95.3Very high94.2Very high40 Ų4059 Ų5921%0.20928%0.283CS..Hα-helixtrans-73.1-43.6170.9-70.7164000111.2I351 H352 R353 E357 D358 L360 R362 F454I351-L355 HydrophobicContact CG2-CD1 4.11Å; I351-L355 WeakPolarHBondContact O-CG 3.39Å; I351-L355 PolarHBondContact O-N 2.76Å; H352-L355 WeakPolarHBondContact O-CB 3.46Å; H352-L355 PolarHBondContact O-N 2.97Å; H352-L355 VanDerWaalsContact O-N 3.11Å; R353-L355 VanDerWaalsContact C-N 3.28Å; R353-L355 PolarHBondContact O-N 3.15Å; L355-E357 VanDerWaalsContact C-N 3.31Å; L355-E357 PolarHBondContact O-N 2.84Å; L355-D358 PolarHBondContact O-N 2.99Å; L355-D358 VanDerWaalsContact O-N 3.15Å; L355-L360 HydrophobicContact CD2-CB 4.02Å; L355-L360 HydrophobicContact CG-CB 4.42Å; L355-R362 HydrophobicContact CD2-CG 4.26Å; L355-F454 HydrophobicContact CD1-CD1 4.49Å; L355-F454 HydrophobicContact CD1-CE1 3.82Å; L355-F454 HydrophobicContact CD2-CD1 3.93Å; L355-F454 HydrophobicContact CD2-CE1 4.01Å; L355-F454 HydrophobicContact CG-CE1 4.34Å
356E93.7Very high94.2Very high164 Ų16457.8 Ų57.877%0.76629%0.293SS*.Hα-helixtrans-63.6-36.1178.1-71.8172.1-174.100112.2H352 R353 D358H352-E356 WeakPolarHBondContact O-CG 3.39Å; H352-E356 PolarHBondContact O-N 3.08Å; R353-E356 PolarHBondContact O-N 3.11Å; E356-D358 VanDerWaalsContact C-N 3.25Å; E356-D358 PolarHBondContact O-N 3.18Å
357E90.6Very high94.1Very high74 Ų7460.4 Ų60.435%0.34631%0.313SS..THydrogen-bonded Turntrans-84.38.1176.1-68.8177.1-160.700113.7R353 L355 I359R353-E357 WeakPolarHBondContact CG-OE1 3.37Å; R353-E357 IonicContact CZ-OE1 2.63Å; R353-E357 IonicContact CZ-OE2 3.55Å; R353-E357 IonicContact NH1-OE1 3.8Å; R353-E357 PolarHBondContact NH1-OE1 2.92Å; R353-E357 IonicContact NH1-OE2 2.66Å; R353-E357 PolarHBondContact NH1-OE2 2.9Å; R353-E357 WeakPolarHBondContact O-CB 3.45Å; R353-E357 WeakPolarHBondContact O-CG 3.16Å; R353-E357 PolarHBondContact O-N 2.94Å; L355-E357 VanDerWaalsContact C-N 3.31Å; L355-E357 PolarHBondContact O-N 2.84Å; E357-I359 HydrophobicContact CB-CD1 3.92Å; E357-I359 HydrophobicContact CB-CG1 4.01Å; E357-I359 PolarHBondContact O-N 3.08Å; E357-I359 WeakPolarHBondContact OE2-CD1 3.29Å
358D92.7Very high94Very high77 Ų7763.9 Ų63.941%0.41233%0.329SS..THydrogen-bonded Turntrans58.228.3178.6-159.340.1000114.5M354 L355 E356 K457M354-D358 PolarHBondContact O-N 3.05Å; L355-D358 PolarHBondContact O-N 2.99Å; L355-D358 VanDerWaalsContact O-N 3.15Å; E356-D358 VanDerWaalsContact C-N 3.25Å; E356-D358 PolarHBondContact O-N 3.18Å; D358-K457 WeakPolarHBondContact OD1-CE 3.38Å; D358-K457 IonicContact OD1-NZ 3.53Å; D358-K457 PolarHBondContact OD1-NZ 3.13Å; D358-K457 VanDerWaalsContact OD2-CE 3.3Å; D358-K457 WeakPolarHBondContact OD2-CE 3.3Å; D358-K457 IonicContact OD2-NZ 2.62Å; D358-K457 PolarHBondContact OD2-NZ 3.17Å
359I94.2Very high93.8Very high10 Ų1070.3 Ų70.35%0.05136%0.359CS..SBendtrans-84.4-36.4177.1-61.2173.3000110.7M354 E357 L433 F456 K457 R458M354-I359 HydrophobicContact CB-CB 4.16Å; M354-I359 HydrophobicContact CB-CG2 4.48Å; M354-I359 HydrophobicContact CE-CB 4.5Å; M354-I359 HydrophobicContact CE-CG2 3.58Å; M354-I359 HydrophobicContact CG-CD1 4.47Å; M354-I359 WeakPolarHBondContact O-CA 3.45Å; M354-I359 WeakPolarHBondContact O-CB 3.27Å; M354-I359 PolarHBondContact O-N 3.02Å; E357-I359 HydrophobicContact CB-CD1 3.92Å; E357-I359 HydrophobicContact CB-CG1 4.01Å; E357-I359 PolarHBondContact O-N 3.08Å; E357-I359 WeakPolarHBondContact OE2-CD1 3.29Å; I359-L433 HydrophobicContact CD1-CD1 4.11Å; I359-L433 HydrophobicContact CG2-CD2 4.03Å; I359-F456 HydrophobicContact CG2-CD1 4.09Å; I359-F456 HydrophobicContact CG2-CE1 4.16Å; I359-K457 PolarHBondContact O-N 3.44Å; I359-R458 HydrophobicContact CB-CG 4.38Å; I359-R458 HydrophobicContact CG1-CG 4.2Å; I359-R458 HydrophobicContact CG2-CB 4.24Å; I359-R458 HydrophobicContact CG2-CG 4.34Å
360L96.4Very high93.7Very high2 Ų267.7 Ų67.71%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-115.8152.5176.9-68.8176.9000110.5I351 M354 L355 I447 F454 R455 F456I351-L360 HydrophobicContact CG2-CD1 4.43Å; M354-L360 HydrophobicContact CB-CB 4.41Å; M354-L360 HydrophobicContact CB-CD1 3.72Å; M354-L360 HydrophobicContact CB-CG 3.9Å; M354-L360 HydrophobicContact CE-CD1 4.18Å; M354-L360 HydrophobicContact CE-CG 4.14Å; M354-L360 PolarHBondContact O-N 3.34Å; M354-L360 HydrophobicContact SD-CD1 4.05Å; L355-L360 HydrophobicContact CD2-CB 4.02Å; L355-L360 HydrophobicContact CG-CB 4.42Å; L360-I447 HydrophobicContact CD1-CD1 4.16Å; L360-I447 HydrophobicContact CD2-CD1 4.03Å; L360-F454 HydrophobicContact CD1-CB 4.41Å; L360-F454 HydrophobicContact CD2-CB 4.31Å; L360-R455 WeakPolarHBondContact CA-O 3.4Å; L360-F456 HydrophobicContact CD2-CD1 3.58Å; L360-F456 HydrophobicContact CD2-CD2 4.03Å; L360-F456 HydrophobicContact CD2-CE1 3.66Å; L360-F456 HydrophobicContact CD2-CE2 4.07Å; L360-F456 HydrophobicContact CD2-CG 3.79Å; L360-F456 HydrophobicContact CD2-CZ 3.89Å; L360-F456 HydrophobicContact CG-CE1 4.44Å
361E96.5Very high93.7Very high58 Ų5868.1 Ų68.127%0.27135%0.35SS..EExtended strand (participates in β ladder)trans-128.3147163.764.7-166151.200110.1R442 F454 R455 K457E361-R442 WeakPolarHBondContact OE1-CD 3.34Å; E361-R442 IonicContact OE1-NH1 3.87Å; E361-F454 CarbonylContact O-C 3.59Å; E361-F454 VanDerWaalsContact O-CA 3.23Å; E361-F454 WeakPolarHBondContact O-CA 3.33Å; E361-R455 HydrophobicContact CG-CG 3.24Å; E361-R455 PolarHBondContact N-O 3.35Å; E361-R455 PolarHBondContact O-N 2.85Å; E361-R455 WeakPolarHBondContact OE1-CD 3.46Å; E361-R455 VanDerWaalsContact OE1-CG 3.26Å; E361-R455 WeakPolarHBondContact OE1-CG 3.36Å; E361-K457 HydrophobicContact CB-CD 4.03Å; E361-K457 HydrophobicContact CB-CG 4.38Å; E361-K457 HydrophobicContact CG-CD 4.2Å; E361-K457 HydrophobicContact CG-CG 4.09Å
362R96.9Very high93.8Very high143 Ų14368.5 Ų68.554%0.5435%0.352SS..EExtended strand (participates in β ladder)trans-69.4140.7177.8-78.5178.5177.1-81.5-0.8110.1L355 F454L355-R362 HydrophobicContact CD2-CG 4.26Å; R362-F454 HydrophobicContact CB-CD1 4.47Å; R362-F454 HydrophobicContact CB-CE1 4.46Å; R362-F454 HydrophobicContact CG-CD1 3.78Å; R362-F454 HydrophobicContact CG-CE1 3.38Å; R362-F454 HydrophobicContact CG-CZ 4.33Å
363V96Very high93.8Very high13 Ų1364.7 Ų64.78%0.07933%0.334CS..EExtended strand (participates in β ladder)trans-107.9116.8172.2-176.60000109I370 F453 R455V363-I370 HydrophobicContact CB-CD1 4.4Å; V363-I370 HydrophobicContact CG1-CD1 3.76Å; V363-I370 HydrophobicContact CG1-CG1 3.84Å; V363-F453 HydrophobicContact CB-CB 4.04Å; V363-F453 PolarHBondContact N-O 2.91Å; V363-R455 HydrophobicContact CG2-CB 4.02Å; V363-R455 HydrophobicContact CG2-CG 4.24Å
364D92.9Very high94Very high90 Ų9061.7 Ų61.748%0.48132%0.323SS..  trans-87110171.4-174.1-3.5000110A366 T367 E368D364-A366 PolarHBondContact O-N 3.23Å; D364-A366 VanDerWaalsContact OD1-CB 3.27Å; D364-A366 WeakPolarHBondContact OD1-CB 3.38Å; D364-A366 PolarHBondContact OD1-N 2.86Å; D364-T367 PolarHBondContact O-N 2.9Å; D364-T367 PolarHBondContact O-OG1 3.37Å; D364-E368 PolarHBondContact O-N 3.42Å
365T90.7Very high94.1Very high86 Ų8661.5 Ų61.553%0.52832%0.322SS..THydrogen-bonded Turntrans-70.7-12.4179.756.10000113.7I370 F453T365-I370 HydrophobicContact CG2-CD1 3.45Å; T365-I370 VanDerWaalsContact CG2-CD1 3.45Å; T365-I370 HydrophobicContact CG2-CG1 4.11Å; T365-F453 HydrophobicContact CG2-CD2 3.71Å; T365-F453 HydrophobicContact CG2-CE2 4.17Å
366A92Very high94.2Very high90 Ų9059.9 Ų59.974%0.74431%0.313SS*.THydrogen-bonded Turntrans-76.5-29.1172.800000111.9D364D364-A366 PolarHBondContact O-N 3.23Å; D364-A366 VanDerWaalsContact OD1-CB 3.27Å; D364-A366 WeakPolarHBondContact OD1-CB 3.38Å; D364-A366 PolarHBondContact OD1-N 2.86Å
367T91.9Very high94.1Very high116 Ų11653.3 Ų53.371%0.71228%0.284SS*.THydrogen-bonded Turntrans-103.3-24.3-178.160.20000113.4D364D364-T367 PolarHBondContact O-N 2.9Å; D364-T367 PolarHBondContact O-OG1 3.37Å
368E91.8Very high94Very high73 Ų7351.1 Ų51.134%0.34128%0.277SS..SBendtrans-133.7133.1-176.2-168.4179.2149.700112.6D364 I370 R455D364-E368 PolarHBondContact O-N 3.42Å; E368-I370 PolarHBondContact O-N 3.43Å; E368-R455 IonicContact OE1-CZ 2.69Å; E368-R455 IonicContact OE1-NH1 2.7Å; E368-R455 PolarHBondContact OE1-NH1 3.24Å; E368-R455 IonicContact OE1-NH2 2.69Å; E368-R455 PolarHBondContact OE1-NH2 3Å; E368-R455 IonicContact OE2-CZ 3.78Å; E368-R455 VanDerWaalsContact OE2-CZ 3.29Å; E368-R455 IonicContact OE2-NH1 3.93Å; E368-R455 PolarHBondContact OE2-NH1 3.31Å; E368-R455 IonicContact OE2-NH2 2.62Å; E368-R455 PolarHBondContact OE2-NH2 3.13Å
369Q91.2Very high93.7Very high170 Ų17049 Ų4979%0.79427%0.267SS*.  trans-79121.7175.5-172.41789.100111.2
370I93.2Very high93.3Very high28 Ų2852.5 Ų52.514%0.14429%0.288CS..  trans-85.3113.5175.3-59.9-178.4000110.5T333 V363 T365 E368 W372 A373 V446 F453T333-I370 HydrophobicContact CG2-CG2 4.24Å; T333-I370 PolarHBondContact OG1-O 3.41Å; V363-I370 HydrophobicContact CB-CD1 4.4Å; V363-I370 HydrophobicContact CG1-CD1 3.76Å; V363-I370 HydrophobicContact CG1-CG1 3.84Å; T365-I370 HydrophobicContact CG2-CD1 3.45Å; T365-I370 VanDerWaalsContact CG2-CD1 3.45Å; T365-I370 HydrophobicContact CG2-CG1 4.11Å; E368-I370 PolarHBondContact O-N 3.43Å; I370-W372 WeakPolarHBondContact CG2-O 3.45Å; I370-A373 HydrophobicContact CG2-CB 3.95Å; I370-V446 HydrophobicContact CD1-CG1 4.26Å; I370-V446 HydrophobicContact CG2-CG1 4.07Å; I370-F453 HydrophobicContact CD1-CB 3.47Å; I370-F453 VanDerWaalsContact CD1-CB 3.47Å; I370-F453 HydrophobicContact CD1-CD1 3.67Å; I370-F453 HydrophobicContact CD1-CD2 3.57Å; I370-F453 HydrophobicContact CD1-CE1 4.25Å; I370-F453 HydrophobicContact CD1-CE2 4.18Å; I370-F453 HydrophobicContact CD1-CG 3.28Å; I370-F453 HydrophobicContact CD1-CZ 4.48Å
371T93.6Very high92.4Very high48 Ų4856.2 Ų56.229%0.29431%0.305SS..SBendtrans-93.6-31.3176.855.90000112.8P331 R332 T333P331-T371 CarbonylContact C-O 3.34Å; P331-T371 WeakPolarHBondContact CB-O 3.11Å; R332-T371 PolarHBondContact N-O 3.39Å; T333-T371 PolarHBondContact OG1-O 3.41Å; T333-T371 VanDerWaalsContact OG1-O 3.11Å
372W96.3Very high91.3Very high8 Ų858.1 Ų58.13%0.0332%0.322CS..  trans-122.8136.5176-63.591.7000109.8I325 A329 T330 P331 R332 I370 I396 H399 Y444 V446I325-W372 HydrophobicContact CG2-CZ2 4.43Å; A329-W372 HydrophobicContact CB-CH2 4.3Å; A329-W372 HydrophobicContact CB-CZ2 4.14Å; T330-W372 WeakPolarHBondContact O-CH2 3.49Å; P331-W372 HydrophobicContact CB-CD2 4.27Å; P331-W372 HydrophobicContact CB-CZ2 4.19Å; P331-W372 HydrophobicContact CG-CZ2 4.35Å; R332-W372 HydrophobicContact CB-CE3 4.2Å; R332-W372 HydrophobicContact CB-CZ3 4.07Å; R332-W372 HydrophobicContact CG-CZ3 4.29Å; R332-W372 WeakPolarHBondContact O-CA 3.26Å; I370-W372 WeakPolarHBondContact CG2-O 3.45Å; W372-I396 HydrophobicContact CB-CG2 4.49Å; W372-I396 HydrophobicContact CD2-CG2 3.99Å; W372-I396 HydrophobicContact CE3-CG2 3.74Å; W372-I396 HydrophobicContact CG-CG2 4.34Å; W372-I396 HydrophobicContact CZ3-CG2 4.3Å; W372-H399 HydrophobicContact CH2-CB 4.3Å; W372-H399 AromaticContact CH2-CD2 3.57Å; W372-H399 AromaticContact CZ3-CD2 3.88Å; W372-Y444 AromaticContact CD1-CD1 3.5Å; W372-Y444 VanDerWaalsContact CD1-CD1 3.5Å; W372-Y444 AromaticContact CD1-CE1 3.95Å; W372-Y444 HydrophobicContact CG-CD1 4.16Å; W372-Y444 AromaticContact NE1-CD1 3.5Å; W372-Y444 AromaticContact NE1-CE1 3.61Å; W372-V446 VanDerWaalsContact O-CB 3.24Å; W372-V446 WeakPolarHBondContact O-CB 3.47Å
373A96.9Very high90.2Very high0 Ų062.4 Ų62.40%034%0.34CS..BIsolated β-bridgetrans-154.4123167.700000112R332 T333 F334 I370 T395 V446 A448 F453R332-A373 PolarHBondContact O-N 3.07Å; T333-A373 HydrophobicContact CG2-CB 3.72Å; F334-A373 PolarHBondContact N-O 3.22Å; I370-A373 HydrophobicContact CG2-CB 3.95Å; A373-T395 WeakPolarHBondContact O-CG2 3.43Å; A373-V446 WeakPolarHBondContact CA-O 3.36Å; A373-V446 HydrophobicContact CB-CG1 4.1Å; A373-A448 HydrophobicContact CB-CB 4.49Å; A373-F453 HydrophobicContact CB-CD1 3.95Å; A373-F453 HydrophobicContact CB-CE1 3.65Å
374S97.3Very high88.9Confident0 Ų063.1 Ų63.10%035%0.35CS..EExtended strand (participates in β ladder)trans-96.4137.5179.1-44.50000110.9F392 T395 V446 I447 A448S374-F392 WeakPolarHBondContact OG-CD1 3.22Å; S374-F392 WeakPolarHBondContact OG-CE1 3.31Å; S374-T395 PolarHBondContact OG-OG1 2.83Å; S374-V446 PolarHBondContact N-O 2.84Å; S374-I447 CarbonylContact O-C 3.45Å; S374-I447 VanDerWaalsContact O-CA 3.28Å; S374-I447 WeakPolarHBondContact O-CA 3.48Å; S374-A448 PolarHBondContact O-N 2.84Å
375P96.8Very high88.3Confident2 Ų266 Ų661%0.01336%0.359CS..EExtended strand (participates in β ladder)trans-72.1144.4173.630.6-30.6000110.3F334 R337 D391 V394F334-P375 HydrophobicContact CB-CG 4.29Å; R337-P375 HydrophobicContact CG-CB 3.85Å; P375-D391 HydrophobicContact CG-CB 4.17Å; P375-D391 PolarHBondContact O-N 3Å; P375-V394 HydrophobicContact CG-CG2 4.34Å
376I95.7Very high88.1Confident5 Ų562.2 Ų62.23%0.02634%0.335CS..EExtended strand (participates in β ladder)trans-73.6154.9172.864.5168.4000112.5V339 V347 I388 C389 I447 A448 T449V339-I376 HydrophobicContact CG2-CD1 4.49Å; V347-I376 HydrophobicContact CG1-CD1 3.9Å; I376-I388 HydrophobicContact CB-CG2 4.06Å; I376-I388 HydrophobicContact CG2-CG2 3.85Å; I376-C389 CarbonylContact C-O 3.4Å; I376-C389 WeakPolarHBondContact CA-O 3.44Å; I376-I447 HydrophobicContact CG2-CB 3.85Å; I376-I447 HydrophobicContact CG2-CD1 3.93Å; I376-I447 HydrophobicContact CG2-CG1 4.35Å; I376-I447 HydrophobicContact CG2-CG2 4.26Å; I376-A448 PolarHBondContact N-O 3.05Å; I376-T449 HydrophobicContact CD1-CG2 4.1Å; I376-T449 HydrophobicContact CG2-CG2 3.9Å
377V91.9Very high87.9Confident26 Ų2662.5 Ų62.516%0.15832%0.317CS..EExtended strand (participates in β ladder)trans-131.7114.4174.4179.40000107.4C389 D391V377-C389 WeakPolarHBondContact CA-O 3.48Å; V377-C389 PolarHBondContact N-O 3.06Å; V377-C389 PolarHBondContact O-N 3.06Å; V377-D391 HydrophobicContact CG2-CB 4.04Å
378C89.9Confident87.8Confident29 Ų2957.3 Ų57.320%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-88.6129.9179.8-540000109.6V347V347-C378 HydrophobicContact CG2-CB 4Å; V347-C378 WeakPolarHBondContact CG2-SG 3.35Å
379V86.2Confident87.7Confident31 Ų3154.9 Ų54.919%0.18828%0.276CS..EExtended strand (participates in β ladder)trans-114.1121.9174.1-177.80000108.3K381 V386 R387V379-K381 PolarHBondContact O-N 2.77Å; V379-V386 CarbonylContact O-C 3.57Å; V379-V386 WeakPolarHBondContact O-CA 3.47Å; V379-R387 PolarHBondContact N-O 2.92Å; V379-R387 PolarHBondContact O-N 3.46Å
380V85.1Confident87.8Confident84 Ų8447.1 Ų47.151%0.50924%0.24SC..EExtended strand (participates in β ladder)trans-73.7122.4177.8-174.50000108.9L343L343-V380 HydrophobicContact CD1-CG2 3.72Å; L343-V380 HydrophobicContact CD2-CG2 3.69Å; L343-V380 HydrophobicContact CG-CG2 4.38Å
381K78.4Confident87.9Confident80 Ų8047 Ų4735%0.34824%0.239SC..PPolyproline II helixtrans-87.5162.9168-74.5-179.1168174.60109V379 K385 R387V379-K381 PolarHBondContact O-N 2.77Å; K381-K385 WeakPolarHBondContact CA-O 3.35Å; K381-K385 HydrophobicContact CB-CB 4.12Å; K381-K385 WeakPolarHBondContact CB-O 3.43Å; K381-K385 PolarHBondContact N-O 3.16Å; K381-R387 HydrophobicContact CD-CB 4.41Å; K381-R387 HydrophobicContact CG-CB 4.47Å
382P73.4Confident88Confident98 Ų9844.7 Ų44.764%0.63623%0.226SC*.G310 helixtrans-51.9155.8169.7-25.835.3000112G384P382-G384 PolarHBondContact O-N 2.92Å
383Y72.7Confident87.9Confident233 Ų23351 Ų5191%0.91425%0.253SS*.G310 helixtrans61.522.7-179.9-46.2-74.3000114.9K385Y383-K385 VanDerWaalsContact C-N 3.29Å; Y383-K385 PolarHBondContact O-N 3.27Å
384G68.1Low87.7Confident29 Ų2952.8 Ų52.830%0.29926%0.264SS..G310 helixtrans777.3172.400000115.2Q346 P382Q346-G384 PolarHBondContact NE2-O 3.19Å; Q346-G384 VanDerWaalsContact NE2-O 3.1Å; Q346-G384 PolarHBondContact OE1-O 3.35Å; P382-G384 PolarHBondContact O-N 2.92Å
385K80.2Confident87.6Confident151 Ų15152.8 Ų52.866%0.65726%0.264SS*.  trans-71.2152.7169.6-67.2-169.8178.1-173.10110.1K381 Y383K381-K385 WeakPolarHBondContact CA-O 3.35Å; K381-K385 HydrophobicContact CB-CB 4.12Å; K381-K385 WeakPolarHBondContact CB-O 3.43Å; K381-K385 PolarHBondContact N-O 3.16Å; Y383-K385 VanDerWaalsContact C-N 3.29Å; Y383-K385 PolarHBondContact O-N 3.27Å
386V87.1Confident87.6Confident6 Ų652.7 Ų52.74%0.03626%0.263CS..EExtended strand (participates in β ladder)trans-116.9145.2173.8-64.90000110.4L343 Q346 V347 E350 V379L343-V386 HydrophobicContact CD2-CG1 4.2Å; Q346-V386 VanDerWaalsContact C-CG2 3.47Å; Q346-V386 HydrophobicContact CB-CB 4.47Å; Q346-V386 HydrophobicContact CB-CG1 3.79Å; Q346-V386 HydrophobicContact CB-CG2 3.87Å; Q346-V386 WeakPolarHBondContact O-CG2 3.44Å; V347-V386 HydrophobicContact CG2-CG2 4.07Å; E350-V386 HydrophobicContact CB-CG2 4.01Å; E350-V386 HydrophobicContact CG-CG2 4.49Å; V379-V386 CarbonylContact O-C 3.57Å; V379-V386 WeakPolarHBondContact O-CA 3.47Å
387R87.7Confident87.5Confident95 Ų9554 Ų5436%0.35827%0.27SS..EExtended strand (participates in β ladder)trans-108120.7166.8-176.7175.259.1-175.5-3.2108.4V379 K381V379-R387 PolarHBondContact N-O 2.92Å; V379-R387 PolarHBondContact O-N 3.46Å; K381-R387 HydrophobicContact CD-CB 4.41Å; K381-R387 HydrophobicContact CG-CB 4.47Å
388I90.6Very high87.7Confident8 Ų855.7 Ų55.74%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-82.4118.9173.5-61.9177000107.9V347 E350 I351 I376V347-I388 HydrophobicContact CG1-CD1 4.02Å; V347-I388 HydrophobicContact CG1-CG1 4.44Å; E350-I388 HydrophobicContact CB-CD1 3.9Å; E350-I388 HydrophobicContact CB-CG1 4.38Å; E350-I388 HydrophobicContact CG-CD1 3.7Å; E350-I388 HydrophobicContact CG-CG1 3.88Å; I351-I388 HydrophobicContact CD1-CD1 4.26Å; I351-I388 HydrophobicContact CG1-CD1 3.49Å; I351-I388 VanDerWaalsContact CG1-CD1 3.49Å; I376-I388 HydrophobicContact CB-CG2 4.06Å; I376-I388 HydrophobicContact CG2-CG2 3.85Å
389C90.1Very high87.9Confident22 Ų2255.6 Ų55.615%0.14928%0.279CS..EExtended strand (participates in β ladder)trans-116.5150.1170.5-60.10000109I376 V377I376-C389 CarbonylContact C-O 3.4Å; I376-C389 WeakPolarHBondContact CA-O 3.44Å; V377-C389 WeakPolarHBondContact CA-O 3.48Å; V377-C389 PolarHBondContact N-O 3.06Å; V377-C389 PolarHBondContact O-N 3.06Å
390S92.9Very high88.3Confident7 Ų754.2 Ų54.25%0.04927%0.27CS..EExtended strand (participates in β ladder)trans-102138.6177.4-53.20000110.4F392 I447 F456S390-F392 VanDerWaalsContact CB-CZ 3.46Å; S390-F392 PolarHBondContact O-N 3.24Å; S390-I447 WeakPolarHBondContact OG-CG2 3.24Å; S390-F456 WeakPolarHBondContact OG-CE2 3.38Å
391D94.7Very high88.6Confident24 Ų2454.2 Ų54.213%0.12827%0.267CS..  trans-82.165.9176.3-159.2-9.6000111.1R337 P375 V377 K393 V394R337-D391 IonicContact CZ-OD2 2.96Å; R337-D391 VanDerWaalsContact CZ-OD2 3.29Å; R337-D391 IonicContact NH1-OD2 2.84Å; R337-D391 PolarHBondContact NH1-OD2 3.3Å; R337-D391 IonicContact NH2-OD2 3.9Å; R337-D391 PolarHBondContact NH2-OD2 2.98Å; P375-D391 HydrophobicContact CG-CB 4.17Å; P375-D391 PolarHBondContact O-N 3Å; V377-D391 HydrophobicContact CG2-CB 4.04Å; D391-K393 PolarHBondContact O-N 3.22Å; D391-K393 VanDerWaalsContact O-N 3.11Å; D391-K393 WeakPolarHBondContact OD1-CB 3.41Å; D391-V394 VanDerWaalsContact O-CG2 3.29Å; D391-V394 WeakPolarHBondContact O-CG2 3.29Å; D391-V394 PolarHBondContact O-N 3.4Å
392F95.6Very high88.9Confident1 Ų153.4 Ų53.40%0.00427%0.268CS..G310 helixtrans-63.9-14.6178.8-67.3-62.9000113.3S374 S390 V394 T395 I396 N397 L445 F456 P460 V463S374-F392 WeakPolarHBondContact OG-CD1 3.22Å; S374-F392 WeakPolarHBondContact OG-CE1 3.31Å; S390-F392 VanDerWaalsContact CB-CZ 3.46Å; S390-F392 PolarHBondContact O-N 3.24Å; F392-V394 PolarHBondContact O-N 3.37Å; F392-T395 CarbonylContact O-C 3.5Å; F392-T395 PolarHBondContact O-N 3.31Å; F392-T395 PolarHBondContact O-OG1 3.06Å; F392-I396 HydrophobicContact CB-CD1 4.31Å; F392-I396 HydrophobicContact CB-CG1 3.9Å; F392-I396 HydrophobicContact CD1-CD1 3.51Å; F392-I396 HydrophobicContact CD1-CG1 3.73Å; F392-I396 HydrophobicContact CE1-CD1 4.02Å; F392-I396 HydrophobicContact CG-CD1 4.03Å; F392-I396 HydrophobicContact CG-CG1 4.12Å; F392-I396 PolarHBondContact O-N 3.12Å; F392-N397 WeakPolarHBondContact CB-OD1 3.32Å; F392-N397 WeakPolarHBondContact O-CB 3.34Å; F392-N397 PolarHBondContact O-N 3.11Å; F392-L445 HydrophobicContact CE1-CD2 3.99Å; F392-L445 HydrophobicContact CZ-CD2 4.05Å; F392-F456 HydrophobicContact CZ-CD2 4.41Å; F392-P460 HydrophobicContact CE2-CB 3.86Å; F392-P460 HydrophobicContact CE2-CG 3.5Å; F392-P460 VanDerWaalsContact CE2-CG 3.5Å; F392-P460 HydrophobicContact CZ-CB 4.16Å; F392-P460 HydrophobicContact CZ-CG 3.54Å; F392-V463 HydrophobicContact CD2-CB 4.37Å; F392-V463 HydrophobicContact CD2-CG2 3.42Å; F392-V463 VanDerWaalsContact CD2-CG2 3.42Å; F392-V463 HydrophobicContact CE2-CG2 3.41Å; F392-V463 VanDerWaalsContact CE2-CG2 3.41Å; F392-V463 HydrophobicContact CG-CG2 3.99Å; F392-V463 HydrophobicContact CZ-CG2 4.04Å
393K94Very high89.2Confident140 Ų14053.6 Ų53.661%0.60926%0.264SS*.G310 helixtrans-59-32.9175.1-173175.7179.8173.40112.9D391 P398D391-K393 PolarHBondContact O-N 3.22Å; D391-K393 VanDerWaalsContact O-N 3.11Å; D391-K393 WeakPolarHBondContact OD1-CB 3.41Å; K393-P398 WeakPolarHBondContact O-CD 3.35Å; K393-P398 VanDerWaalsContact O-CG 3.26Å; K393-P398 WeakPolarHBondContact O-CG 3.32Å
394V94Very high89.6Confident37 Ų3753.8 Ų53.822%0.22426%0.263CS..G310 helixtrans-88.9-9-177.5-53.90000113.5R332 F334 P375 D391 F392R332-V394 WeakPolarHBondContact CD-O 3.38Å; F334-V394 HydrophobicContact CD2-CG2 3.95Å; F334-V394 HydrophobicContact CE1-CG2 4.4Å; F334-V394 HydrophobicContact CE2-CB 4.1Å; F334-V394 HydrophobicContact CE2-CG2 3.76Å; F334-V394 WeakPolarHBondContact CE2-O 3.45Å; F334-V394 HydrophobicContact CG-CG2 4.34Å; F334-V394 HydrophobicContact CZ-CB 4.02Å; F334-V394 HydrophobicContact CZ-CG2 4Å; P375-V394 HydrophobicContact CG-CG2 4.34Å; D391-V394 VanDerWaalsContact O-CG2 3.29Å; D391-V394 WeakPolarHBondContact O-CG2 3.29Å; D391-V394 PolarHBondContact O-N 3.4Å; F392-V394 PolarHBondContact O-N 3.37Å
395T95.2Very high90.5Very high0 Ų054.7 Ų54.70%026%0.259CS..THydrogen-bonded Turntrans-123.7-95.4-172.444.90000110.5R332 F334 A373 S374 F392 P398 H399R332-T395 HydrophobicContact CB-CG2 4.18Å; R332-T395 WeakPolarHBondContact O-CG2 3.49Å; F334-T395 HydrophobicContact CD2-CG2 3.51Å; F334-T395 HydrophobicContact CE2-CG2 3.8Å; A373-T395 WeakPolarHBondContact O-CG2 3.43Å; S374-T395 PolarHBondContact OG-OG1 2.83Å; F392-T395 CarbonylContact O-C 3.5Å; F392-T395 PolarHBondContact O-N 3.31Å; F392-T395 PolarHBondContact O-OG1 3.06Å; T395-P398 WeakPolarHBondContact O-CD 3.5Å; T395-H399 PolarHBondContact O-CD2 2.9Å; T395-H399 VanDerWaalsContact O-CD2 3.31Å
396I95.2Very high90.8Very high0 Ų052.1 Ų52.10%026%0.258CS..THydrogen-bonded Turntrans-80.2-36.2-167.866.9178.4000113.9I325 W372 F392 P398 H399 V400 Y444 L445 V463I325-I396 HydrophobicContact CD1-CB 4.24Å; W372-I396 HydrophobicContact CB-CG2 4.49Å; W372-I396 HydrophobicContact CD2-CG2 3.99Å; W372-I396 HydrophobicContact CE3-CG2 3.74Å; W372-I396 HydrophobicContact CG-CG2 4.34Å; W372-I396 HydrophobicContact CZ3-CG2 4.3Å; F392-I396 HydrophobicContact CB-CD1 4.31Å; F392-I396 HydrophobicContact CB-CG1 3.9Å; F392-I396 HydrophobicContact CD1-CD1 3.51Å; F392-I396 HydrophobicContact CD1-CG1 3.73Å; F392-I396 HydrophobicContact CE1-CD1 4.02Å; F392-I396 HydrophobicContact CG-CD1 4.03Å; F392-I396 HydrophobicContact CG-CG1 4.12Å; F392-I396 PolarHBondContact O-N 3.12Å; I396-P398 VanDerWaalsContact C-CD 3.43Å; I396-P398 VanDerWaalsContact C-N 3.33Å; I396-P398 VanDerWaalsContact O-N 3.16Å; I396-H399 CarbonylContact O-C 3.43Å; I396-H399 WeakPolarHBondContact O-CA 3.19Å; I396-H399 PolarHBondContact O-N 3.23Å; I396-V400 HydrophobicContact CB-CG2 4.23Å; I396-V400 HydrophobicContact CG1-CG2 4.28Å; I396-V400 WeakPolarHBondContact O-CG2 3.32Å; I396-V400 PolarHBondContact O-N 2.81Å; I396-Y444 VanDerWaalsContact CG2-O 3.3Å; I396-Y444 WeakPolarHBondContact CG2-O 3.23Å; I396-L445 HydrophobicContact CD1-CD2 3.49Å; I396-L445 VanDerWaalsContact CD1-CD2 3.49Å; I396-V463 HydrophobicContact CD1-CG1 4.24Å; I396-V463 HydrophobicContact CD1-CG2 4.35Å
397N95.4Very high91Very high33 Ų3355.2 Ų55.218%0.17627%0.274CS..THydrogen-bonded Turntrans-56.8-36.7-170.6-71.4-9.2000114.1F392 H399 G462 V463 S464F392-N397 WeakPolarHBondContact CB-OD1 3.32Å; F392-N397 WeakPolarHBondContact O-CB 3.34Å; F392-N397 PolarHBondContact O-N 3.11Å; N397-H399 PolarHBondContact O-N 3.38Å; N397-G462 PolarHBondContact ND2-O 3.39Å; N397-V463 WeakPolarHBondContact OD1-CA 3.31Å; N397-S464 PolarHBondContact OD1-N 3.26Å; N397-S464 PolarHBondContact OD1-OG 2.98Å
398P94.8Very high91Very high62 Ų6251.5 Ų51.540%0.40326%0.262SS..THydrogen-bonded Turntrans-62.9-21.1172.8-24.435.5000115.1R326 K393 T395 I396R326-P398 PolarHBondContact NH1-O 2.92Å; K393-P398 WeakPolarHBondContact O-CD 3.35Å; K393-P398 VanDerWaalsContact O-CG 3.26Å; K393-P398 WeakPolarHBondContact O-CG 3.32Å; T395-P398 WeakPolarHBondContact O-CD 3.5Å; I396-P398 VanDerWaalsContact C-CD 3.43Å; I396-P398 VanDerWaalsContact C-N 3.33Å; I396-P398 VanDerWaalsContact O-N 3.16Å
399H95Very high91Very high26 Ų2653.5 Ų53.512%0.1228%0.275CS..THydrogen-bonded Turntrans-111-13-174.2-59.6-73000113.7I325 R326 A329 W372 T395 I396 N397I325-H399 HydrophobicContact CG2-CB 4.08Å; R326-H399 WeakPolarHBondContact CG-O 2.99Å; R326-H399 PolarHBondContact N-O 3.19Å; A329-H399 HydrophobicContact CB-CB 3.68Å; W372-H399 HydrophobicContact CH2-CB 4.3Å; W372-H399 AromaticContact CH2-CD2 3.57Å; W372-H399 AromaticContact CZ3-CD2 3.88Å; T395-H399 PolarHBondContact O-CD2 2.9Å; T395-H399 VanDerWaalsContact O-CD2 3.31Å; I396-H399 CarbonylContact O-C 3.43Å; I396-H399 WeakPolarHBondContact O-CA 3.19Å; I396-H399 PolarHBondContact O-N 3.23Å; N397-H399 PolarHBondContact O-N 3.38Å
400V93.9Very high90.9Very high3 Ų358.4 Ų58.42%0.01829%0.294CS..BIsolated β-bridgetrans-63132.7174.3162.70000110.2V323 H324 I325 I396 V402 F465V323-V400 HydrophobicContact CG1-CG2 4.24Å; H324-V400 CarbonylContact O-C 3.51Å; H324-V400 WeakPolarHBondContact O-CA 3.29Å; I325-V400 HydrophobicContact CD1-CB 4.49Å; I325-V400 HydrophobicContact CD1-CG2 3.67Å; I396-V400 HydrophobicContact CB-CG2 4.23Å; I396-V400 HydrophobicContact CG1-CG2 4.28Å; I396-V400 WeakPolarHBondContact O-CG2 3.32Å; I396-V400 PolarHBondContact O-N 2.81Å; V400-V402 HydrophobicContact CG1-CG2 3.74Å; V400-V402 PolarHBondContact O-N 2.67Å; V400-F465 HydrophobicContact CG1-CB 4.35Å; V400-F465 HydrophobicContact CG1-CD1 3.64Å; V400-F465 HydrophobicContact CG1-CE1 4.45Å; V400-F465 HydrophobicContact CG1-CG 4.43Å; V400-F465 HydrophobicContact CG2-CD1 4.42Å
401I92.4Very high90.8Very high84 Ų8461.4 Ų61.443%0.43131%0.307SS..  trans-79106162.7-58.3171000105.9H324 R326 D403H324-I401 HydrophobicContact CB-CB 4.16Å; H324-I401 PolarHBondContact O-N 3.07Å; R326-I401 HydrophobicContact CG-CD1 4.29Å; R326-I401 HydrophobicContact CG-CG1 3.69Å; I401-D403 PolarHBondContact O-N 3.13Å
402V84.4Confident90.5Very high62 Ų6264.2 Ų64.238%0.37632%0.322SS..  trans-85.4110.2-176.1-179.80000108.7V400 R404 F465V400-V402 HydrophobicContact CG1-CG2 3.74Å; V400-V402 PolarHBondContact O-N 2.67Å; V402-R404 PolarHBondContact O-N 3Å; V402-F465 HydrophobicContact CG1-CB 4.3Å
403D78.7Confident90.2Very high102 Ų10266 Ų6655%0.54533%0.331SS..  trans-64.5126.4164.4-71.5-20.7000109I401 A468I401-D403 PolarHBondContact O-N 3.13Å; D403-A468 WeakPolarHBondContact O-CB 3.44Å
404R81Confident89.9Confident237 Ų23764.3 Ų64.389%0.89433%0.327SS*.  trans-94.9127.3177.5-62.4-176.8-177.1-177.80.3108.4V402V402-R404 PolarHBondContact O-N 3Å
405H88Confident89.7Confident48 Ų4866 Ų6622%0.22235%0.345CS..  trans-124.5131.3167.5-171.977.9000107.3L407 A468 K472 E475H405-L407 PolarHBondContact O-N 2.88Å; H405-A468 HydrophobicContact CB-CB 4Å; H405-A468 WeakPolarHBondContact CB-O 3.4Å; H405-K472 HydrophobicContact CB-CB 4.23Å; H405-E475 IonicContact CD2-OE2 3.52Å; H405-E475 IonicContact CE1-OE2 3.66Å; H405-E475 PolarHBondContact CE1-OE2 3.26Å; H405-E475 IonicContact NE2-OE1 3.56Å; H405-E475 IonicContact NE2-OE2 2.82Å; H405-E475 PolarHBondContact NE2-OE2 3.31Å
406P87Confident89.3Confident98 Ų9871.3 Ų71.364%0.63637%0.367SS*.PPolyproline II helixtrans-63.1135.7-18027.2-33.8000109.9
407L90Very high89.1Confident70 Ų7073.9 Ų73.937%0.36638%0.381SS..PPolyproline II helixtrans-86136.4166.2-63.9177.1000107.5H405 T409 Q471 Y487 I488H405-L407 PolarHBondContact O-N 2.88Å; L407-T409 PolarHBondContact O-N 2.74Å; L407-Q471 HydrophobicContact CD2-CB 3.76Å; L407-Q471 HydrophobicContact CD2-CG 3.76Å; L407-Y487 HydrophobicContact CB-CE2 4.35Å; L407-I488 HydrophobicContact CD2-CG1 4.07Å
408P89Confident88.8Confident17 Ų1779.1 Ų79.111%0.1141%0.409CS..PPolyproline II helixtrans-63140.2-179.923.9-30.7000110.3D412 M413 Q471 V486 Y487P408-D412 HydrophobicContact CB-CB 4.15Å; P408-M413 HydrophobicContact CB-CG 4.05Å; P408-M413 HydrophobicContact CG-CG 4.27Å; P408-M413 HydrophobicContact CG-SD 4.49Å; P408-Q471 VanDerWaalsContact CD-NE2 3.29Å; P408-V486 WeakPolarHBondContact CG-O 3.17Å; P408-Y487 HydrophobicContact CG-CD2 4.36Å
409T89.8Confident88.5Confident50 Ų5079.3 Ų79.331%0.30742%0.422SS..PPolyproline II helixtrans-74.5163.3171.867.20000110.2L407 E411 D412 M413L407-T409 PolarHBondContact O-N 2.74Å; T409-E411 PolarHBondContact O-N 3.12Å; T409-D412 WeakPolarHBondContact CB-OD2 3.18Å; T409-D412 PolarHBondContact N-OD2 2.72Å; T409-D412 PolarHBondContact O-N 2.69Å; T409-D412 VanDerWaalsContact O-N 3.16Å; T409-D412 PolarHBondContact OG1-N 3.03Å; T409-D412 VanDerWaalsContact OG1-N 3.16Å; T409-D412 PolarHBondContact OG1-OD2 2.96Å; T409-M413 WeakPolarHBondContact O-CG 3.43Å; T409-M413 PolarHBondContact O-N 3.36Å; T409-M413 VanDerWaalsContact O-N 3.08Å
410F88.1Confident88.2Confident125 Ų12579.9 Ų79.955%0.54844%0.435SS..Hα-helixtrans-57.2-37.7174.1178.2-103000111.5M413 M414F410-M413 PolarHBondContact O-N 3.21Å; F410-M414 HydrophobicContact CD1-CG 3.97Å; F410-M414 HydrophobicContact CD2-CG 4.39Å; F410-M414 HydrophobicContact CE1-CG 3.52Å; F410-M414 HydrophobicContact CE1-SD 4.22Å; F410-M414 HydrophobicContact CE2-CG 3.98Å; F410-M414 HydrophobicContact CE2-SD 4.15Å; F410-M414 HydrophobicContact CG-CG 4.39Å; F410-M414 HydrophobicContact CZ-CE 4.33Å; F410-M414 HydrophobicContact CZ-CG 3.52Å; F410-M414 HydrophobicContact CZ-SD 3.68Å; F410-M414 WeakPolarHBondContact O-CB 3.23Å; F410-M414 VanDerWaalsContact O-CG 3.25Å; F410-M414 WeakPolarHBondContact O-CG 3.28Å; F410-M414 PolarHBondContact O-N 3.15Å
411E91Very high87.9Confident71 Ų7191.1 Ų91.133%0.33248%0.477SS..Hα-helixtrans-64.6-41.8176.9-6969.2-16000112.3R162 T409 M413 M414 A415R162-E411 VanDerWaalsContact CZ-CD 3.41Å; R162-E411 IonicContact CZ-OE1 2.72Å; R162-E411 IonicContact CZ-OE2 3.75Å; R162-E411 IonicContact NE-OE1 3.57Å; R162-E411 PolarHBondContact NE-OE1 3.41Å; R162-E411 IonicContact NE-OE2 3.4Å; R162-E411 IonicContact NH1-OE1 3.5Å; R162-E411 PolarHBondContact NH1-OE1 3.21Å; R162-E411 IonicContact NH1-OE2 2.7Å; R162-E411 PolarHBondContact NH1-OE2 2.9Å; R162-E411 IonicContact NH2-OE1 3.35Å; R162-E411 PolarHBondContact NH2-OE1 2.88Å; T409-E411 PolarHBondContact O-N 3.12Å; E411-M413 VanDerWaalsContact C-N 3.32Å; E411-M413 PolarHBondContact O-N 3.25Å; E411-M414 PolarHBondContact O-N 2.67Å; E411-A415 WeakPolarHBondContact O-CB 3.41Å; E411-A415 PolarHBondContact O-N 3.11Å
412D87.7Confident87.8Confident82 Ų8293.5 Ų93.544%0.43950%0.495SS..Hα-helixtrans-61.5-43175.5-60.3-43.4000111.2P408 T409 A415 K416P408-D412 HydrophobicContact CB-CB 4.15Å; T409-D412 WeakPolarHBondContact CB-OD2 3.18Å; T409-D412 PolarHBondContact N-OD2 2.72Å; T409-D412 PolarHBondContact O-N 2.69Å; T409-D412 VanDerWaalsContact O-N 3.16Å; T409-D412 PolarHBondContact OG1-N 3.03Å; T409-D412 VanDerWaalsContact OG1-N 3.16Å; T409-D412 PolarHBondContact OG1-OD2 2.96Å; D412-A415 PolarHBondContact O-N 2.97Å; D412-K416 PolarHBondContact O-N 3.21Å; D412-K416 VanDerWaalsContact O-N 3.14Å
413M89.8Confident88Confident40 Ų4096.9 Ų96.920%0.19751%0.505CS..Hα-helixtrans-65.2-45177.3-60.3-164.8-83.800111.2P408 T409 F410 E411 A415 K416 L417 S485 Y487P408-M413 HydrophobicContact CB-CG 4.05Å; P408-M413 HydrophobicContact CG-CG 4.27Å; P408-M413 HydrophobicContact CG-SD 4.49Å; T409-M413 WeakPolarHBondContact O-CG 3.43Å; T409-M413 PolarHBondContact O-N 3.36Å; T409-M413 VanDerWaalsContact O-N 3.08Å; F410-M413 PolarHBondContact O-N 3.21Å; E411-M413 VanDerWaalsContact C-N 3.32Å; E411-M413 PolarHBondContact O-N 3.25Å; M413-A415 VanDerWaalsContact C-N 3.32Å; M413-A415 PolarHBondContact O-N 2.99Å; M413-K416 PolarHBondContact O-N 3.14Å; M413-L417 WeakPolarHBondContact O-CB 3.49Å; M413-L417 VanDerWaalsContact O-CG 3.26Å; M413-L417 WeakPolarHBondContact O-CG 3.01Å; M413-L417 PolarHBondContact O-N 3.28Å; M413-S485 WeakPolarHBondContact CB-OG 3.24Å; M413-S485 WeakPolarHBondContact CG-OG 3.42Å; M413-Y487 HydrophobicContact CE-CD2 4.29Å; M413-Y487 HydrophobicContact SD-CD2 4.44Å
414M88.3Confident88.5Confident104 Ų10497.2 Ų97.251%0.51252%0.515SS..Hα-helixtrans-64-36.5177.8-73.3-67.8-75.900112.3F410 E411 L417 N418F410-M414 HydrophobicContact CD1-CG 3.97Å; F410-M414 HydrophobicContact CD2-CG 4.39Å; F410-M414 HydrophobicContact CE1-CG 3.52Å; F410-M414 HydrophobicContact CE1-SD 4.22Å; F410-M414 HydrophobicContact CE2-CG 3.98Å; F410-M414 HydrophobicContact CE2-SD 4.15Å; F410-M414 HydrophobicContact CG-CG 4.39Å; F410-M414 HydrophobicContact CZ-CE 4.33Å; F410-M414 HydrophobicContact CZ-CG 3.52Å; F410-M414 HydrophobicContact CZ-SD 3.68Å; F410-M414 WeakPolarHBondContact O-CB 3.23Å; F410-M414 VanDerWaalsContact O-CG 3.25Å; F410-M414 WeakPolarHBondContact O-CG 3.28Å; F410-M414 PolarHBondContact O-N 3.15Å; E411-M414 PolarHBondContact O-N 2.67Å; M414-L417 PolarHBondContact O-N 3.41Å; M414-N418 PolarHBondContact O-N 2.99Å
415A89.8Confident88.9Confident73 Ų7392.5 Ų92.560%0.60351%0.513SS*.Hα-helixtrans-63.3-43.5175.300000111.5E411 D412 M413 L417 N418E411-A415 WeakPolarHBondContact O-CB 3.41Å; E411-A415 PolarHBondContact O-N 3.11Å; D412-A415 PolarHBondContact O-N 2.97Å; M413-A415 VanDerWaalsContact C-N 3.32Å; M413-A415 PolarHBondContact O-N 2.99Å; A415-L417 VanDerWaalsContact C-N 3.32Å; A415-L417 PolarHBondContact O-N 3.23Å; A415-N418 WeakPolarHBondContact O-CB 3.48Å; A415-N418 PolarHBondContact O-N 3.28Å
416K87.2Confident89Confident110 Ų11096.7 Ų96.748%0.47854%0.535SS..Hα-helixtrans-65.1-33.6175.9-73.6-177.6179.3-178.60113.4D412 M413D412-K416 PolarHBondContact O-N 3.21Å; D412-K416 VanDerWaalsContact O-N 3.14Å; M413-K416 PolarHBondContact O-N 3.14Å
417L90.5Very high89.1Confident54 Ų5498.5 Ų98.528%0.28354%0.54SS..Hα-helixtrans-91.8-1.5-177.3-63.4176.7000113.4M413 M414 A415 G420 F423 G483M413-L417 WeakPolarHBondContact O-CB 3.49Å; M413-L417 VanDerWaalsContact O-CG 3.26Å; M413-L417 WeakPolarHBondContact O-CG 3.01Å; M413-L417 PolarHBondContact O-N 3.28Å; M414-L417 PolarHBondContact O-N 3.41Å; A415-L417 VanDerWaalsContact C-N 3.32Å; A415-L417 PolarHBondContact O-N 3.23Å; L417-G420 PolarHBondContact O-N 2.8Å; L417-G420 VanDerWaalsContact O-N 3.1Å; L417-F423 HydrophobicContact CB-CE1 4.2Å; L417-G483 WeakPolarHBondContact CD2-O 3.35Å
418N89.1Confident89Confident144 Ų14497 Ų9777%0.7753%0.53SS*.THydrogen-bonded Turntrans-59.8138.7-176.8-174.832.4000111.5M414 A415 G420M414-N418 PolarHBondContact O-N 2.99Å; A415-N418 WeakPolarHBondContact O-CB 3.48Å; A415-N418 PolarHBondContact O-N 3.28Å; N418-G420 PolarHBondContact O-N 3.04Å
419G88.2Confident88.7Confident66 Ų66102.9 Ų102.968%0.6856%0.555SS**THydrogen-bonded Turntrans84-11.3-174.900000114.7
420G87.6Confident88.4Confident37 Ų37102.7 Ų102.738%0.38155%0.551SS.*  trans-60.5134.4171.900000112.2L417 N418 F423L417-G420 PolarHBondContact O-N 2.8Å; L417-G420 VanDerWaalsContact O-N 3.1Å; N418-G420 PolarHBondContact O-N 3.04Å; G420-F423 VanDerWaalsContact O-CZ 3.24Å; G420-F423 WeakPolarHBondContact O-CZ 3.28Å
421R88.8Confident88.5Confident239 Ų23996.8 Ų96.890%0.90253%0.526SS*.SBendtrans-108.2-20.9173.7-62.4-174.7-177.7-164.10.9112.9
422V89.4Confident88.5Confident135 Ų13595 Ų9582%0.81852%0.517SS*.SBendtrans-131.5130.4-179.5-177.10000106.5
423F88.9Confident88.7Confident133 Ų13392 Ų9258%0.58350%0.5SS*.  trans-122.6142.3-177.2-56.9-82.8000109.4L417 G420L417-F423 HydrophobicContact CB-CE1 4.2Å; G420-F423 VanDerWaalsContact O-CZ 3.24Å; G420-F423 WeakPolarHBondContact O-CZ 3.28Å
424S89Confident88.7Confident108 Ų10892.7 Ų92.776%0.75550%0.503SS*.  trans-123.4141.8170.653.10000109
425V90.7Very high88.9Confident139 Ų13987.8 Ų87.884%0.84248%0.479SS*.  trans-117.4129.2174.4-178.90000107.3
426I89.3Confident89.2Confident136 Ų13687.5 Ų87.570%0.69747%0.465SS*.  trans-114127.8177.3-57.4176.1000106.5
427D89Confident89.6Confident136 Ų13682.3 Ų82.373%0.72744%0.442SS*.  trans-116.3122.1176.8179.887.4000108.1
428Q86.9Confident89.9Confident37 Ų3780.3 Ų80.317%0.17343%0.434CS..  trans-89117.5-177.3-70.3-178.16600111.4D430 A431 D489Q428-D430 PolarHBondContact O-N 2.92Å; Q428-A431 HydrophobicContact CB-CB 3.82Å; Q428-A431 PolarHBondContact O-N 2.81Å; Q428-D489 HydrophobicContact CB-CB 4.42Å; Q428-D489 WeakPolarHBondContact CG-OXT 3.42Å; Q428-D489 PolarHBondContact NE2-OXT 2.9Å
429K83Confident90.2Very high142 Ų14277.5 Ų77.562%0.61742%0.424SS*.THydrogen-bonded Turntrans-62.7127176.4-174.8-174.4170.9-160.30110.8A431 Q434K429-A431 PolarHBondContact O-N 2.93Å; K429-A431 VanDerWaalsContact O-N 3.16Å; K429-Q434 PolarHBondContact O-NE2 3.45Å
430D83.7Confident90.5Very high45 Ų4578.4 Ų78.424%0.24142%0.419CS..THydrogen-bonded Turntrans50.537.1175.8-60.2-53.2000113.2Q428 Y432 L433Q428-D430 PolarHBondContact O-N 2.92Å; D430-Y432 VanDerWaalsContact C-N 3.35Å; D430-Y432 PolarHBondContact O-N 3.29Å; D430-Y432 VanDerWaalsContact O-N 3.07Å; D430-L433 HydrophobicContact CB-CD1 4.11Å; D430-L433 HydrophobicContact CB-CG 4.46Å; D430-L433 WeakPolarHBondContact O-CB 3.48Å; D430-L433 PolarHBondContact O-N 3.48Å
431A89.8Confident90.9Very high2 Ų276.9 Ų76.92%0.01740%0.403CS..G310 helixtrans-43.5-47-167.100000115.7Q428 K429 L433 Q434 F470 D489Q428-A431 HydrophobicContact CB-CB 3.82Å; Q428-A431 PolarHBondContact O-N 2.81Å; K429-A431 PolarHBondContact O-N 2.93Å; K429-A431 VanDerWaalsContact O-N 3.16Å; A431-L433 VanDerWaalsContact C-N 3.26Å; A431-L433 PolarHBondContact O-N 3.4Å; A431-Q434 VanDerWaalsContact O-CB 3.25Å; A431-Q434 WeakPolarHBondContact O-CB 3.4Å; A431-Q434 WeakPolarHBondContact O-CG 3.36Å; A431-Q434 PolarHBondContact O-N 3.43Å; A431-F470 HydrophobicContact CB-CE1 3.88Å; A431-F470 HydrophobicContact CB-CE2 4.35Å; A431-F470 HydrophobicContact CB-CZ 3.59Å; A431-F470 VanDerWaalsContact O-CE2 3.27Å; A431-F470 WeakPolarHBondContact O-CE2 3.34Å; A431-D489 HydrophobicContact CB-CB 3.39Å
432Y91.7Very high91.2Very high34 Ų3467.4 Ų67.413%0.13337%0.367CS..G310 helixtrans-59.5-33.9178.6-63.2-33.8000113.5D430 Q434 M435 L459 F461 A466 P467 F470 I488D430-Y432 VanDerWaalsContact C-N 3.35Å; D430-Y432 PolarHBondContact O-N 3.29Å; D430-Y432 VanDerWaalsContact O-N 3.07Å; Y432-Q434 PolarHBondContact O-N 3.36Å; Y432-Q434 VanDerWaalsContact O-N 3.15Å; Y432-M435 PolarHBondContact O-N 2.75Å; Y432-L459 CarbonylContact C-O 3.59Å; Y432-L459 WeakPolarHBondContact CB-O 3.27Å; Y432-L459 HydrophobicContact CD1-CD2 4.36Å; Y432-L459 WeakPolarHBondContact O-CB 3.3Å; Y432-F461 AromaticContact CD2-CD1 3.37Å; Y432-F461 HydrophobicContact CD2-CD1 3.37Å; Y432-F461 AromaticContact CD2-CE1 3.43Å; Y432-F461 HydrophobicContact CD2-CE1 3.43Å; Y432-F461 VanDerWaalsContact CD2-CE1 3.43Å; Y432-F461 HydrophobicContact CD2-CG 4.21Å; Y432-F461 HydrophobicContact CD2-CZ 4.32Å; Y432-F461 AromaticContact CE2-CD1 3.89Å; Y432-F461 HydrophobicContact CE2-CD1 3.89Å; Y432-F461 HydrophobicContact CE2-CE1 4.06Å; Y432-F461 HydrophobicContact CG-CD1 4.44Å; Y432-F461 HydrophobicContact CG-CE1 4.2Å; Y432-A466 HydrophobicContact CE2-CB 4.48Å; Y432-P467 WeakPolarHBondContact OH-CA 3.43Å; Y432-F470 HydrophobicContact CD1-CB 3.84Å; Y432-F470 HydrophobicContact CD1-CD1 4.24Å; Y432-F470 AromaticContact CD1-CD2 3.61Å; Y432-F470 HydrophobicContact CD1-CD2 3.61Å; Y432-F470 HydrophobicContact CD1-CE2 4.21Å; Y432-F470 AromaticContact CD1-CG 3.62Å; Y432-F470 HydrophobicContact CD1-CG 3.62Å; Y432-F470 HydrophobicContact CE1-CB 3.53Å; Y432-F470 HydrophobicContact CE1-CD1 4.1Å; Y432-F470 HydrophobicContact CE1-CD2 4.15Å; Y432-F470 AromaticContact CE1-CG 3.66Å; Y432-F470 HydrophobicContact CE1-CG 3.66Å; Y432-I488 HydrophobicContact CE1-CG2 3.94Å; Y432-I488 WeakPolarHBondContact OH-CG2 3.11Å
433L91.7Very high91.5Very high18 Ų1864.7 Ų64.79%0.09435%0.346CS..G310 helixtrans-69.7-10.3178.9-56.3-179.1000112.5I359 D430 A431 M435 R458 F461I359-L433 HydrophobicContact CD1-CD1 4.11Å; I359-L433 HydrophobicContact CG2-CD2 4.03Å; D430-L433 HydrophobicContact CB-CD1 4.11Å; D430-L433 HydrophobicContact CB-CG 4.46Å; D430-L433 WeakPolarHBondContact O-CB 3.48Å; D430-L433 PolarHBondContact O-N 3.48Å; A431-L433 VanDerWaalsContact C-N 3.26Å; A431-L433 PolarHBondContact O-N 3.4Å; L433-M435 VanDerWaalsContact C-N 3.32Å; L433-R458 HydrophobicContact CB-CB 4.44Å; L433-R458 HydrophobicContact CD2-CB 4.49Å; L433-R458 WeakPolarHBondContact O-CB 3.41Å; L433-R458 WeakPolarHBondContact O-CD 3.46Å; L433-R458 WeakPolarHBondContact O-CG 3.29Å; L433-R458 PolarHBondContact O-NH1 2.86Å; L433-R458 VanDerWaalsContact O-NH1 3.15Å; L433-F461 HydrophobicContact CD1-CE2 4.11Å; L433-F461 HydrophobicContact CD2-CE2 4.33Å; L433-F461 HydrophobicContact CG-CE2 3.93Å
434Q90.3Very high91.8Very high55 Ų5560.8 Ų60.826%0.25733%0.327SS..G310 helixtrans-77.8-18.8172-52.8-175.726.600111.8A315 I316 K429 A431 Y432 R458A315-Q434 CarbonylContact C-O 3.53Å; A315-Q434 WeakPolarHBondContact CA-O 3.41Å; I316-Q434 HydrophobicContact CG1-CB 4.04Å; I316-Q434 PolarHBondContact N-O 2.95Å; K429-Q434 PolarHBondContact O-NE2 3.45Å; A431-Q434 VanDerWaalsContact O-CB 3.25Å; A431-Q434 WeakPolarHBondContact O-CB 3.4Å; A431-Q434 WeakPolarHBondContact O-CG 3.36Å; A431-Q434 PolarHBondContact O-N 3.43Å; Y432-Q434 PolarHBondContact O-N 3.36Å; Y432-Q434 VanDerWaalsContact O-N 3.15Å; Q434-R458 PolarHBondContact O-NH1 3.28Å
435M92.7Very high92.2Very high1 Ų155.7 Ų55.71%0.00529%0.291CS..SBendtrans-88.1124176.9-173.4174.1-73.600111.1I316 A321 Y432 L433 R458 L459 L469 F470 T473I316-M435 HydrophobicContact CD1-CB 4.25Å; I316-M435 HydrophobicContact CD1-CE 4.14Å; A321-M435 HydrophobicContact CB-CG 4.2Å; A321-M435 HydrophobicContact CB-SD 3.87Å; Y432-M435 PolarHBondContact O-N 2.75Å; L433-M435 VanDerWaalsContact C-N 3.32Å; M435-R458 CarbonylContact O-C 3.44Å; M435-R458 WeakPolarHBondContact O-CA 3.26Å; M435-L459 HydrophobicContact CB-CB 4.09Å; M435-L459 HydrophobicContact CB-CD2 4.47Å; M435-L459 PolarHBondContact O-N 3.4Å; M435-L459 HydrophobicContact SD-CD2 3.88Å; M435-L469 HydrophobicContact CE-CG 4.31Å; M435-L469 HydrophobicContact SD-CD2 3.62Å; M435-L469 HydrophobicContact SD-CG 3.9Å; M435-F470 HydrophobicContact CE-CD2 3.93Å; M435-T473 HydrophobicContact CE-CG2 3.71Å; M435-T473 VanDerWaalsContact CE-OG1 3.31Å; M435-T473 WeakPolarHBondContact CE-OG1 3.43Å
436E95.1Very high92.5Very high67 Ų6749.2 Ų49.231%0.31325%0.252SS..EExtended strand (participates in β ladder)trans-69.4149173.2-71.1-170.1172.100112A315 Q320 A321A315-E436 HydrophobicContact CB-CG 4.14Å; Q320-E436 CarbonylContact C-O 3.55Å; Q320-E436 VanDerWaalsContact CA-O 3.29Å; Q320-E436 WeakPolarHBondContact CA-O 3.46Å; Q320-E436 HydrophobicContact CG-CB 4.21Å; Q320-E436 PolarHBondContact NE2-OE2 2.77Å; A321-E436 PolarHBondContact N-O 2.97Å
437V96.5Very high92.9Very high0 Ų042.8 Ų42.80%022%0.219CC..EExtended strand (participates in β ladder)trans-98.4129171.8176.30000108.8A321 R442 L445 K457 R458 L459A321-V437 HydrophobicContact CB-CG2 4.31Å; V437-R442 HydrophobicContact CB-CG 4.24Å; V437-R442 HydrophobicContact CG1-CG 3.83Å; V437-R442 PolarHBondContact O-NE 2.82Å; V437-R442 VanDerWaalsContact O-NE 3.13Å; V437-L445 HydrophobicContact CB-CD1 4.31Å; V437-L445 HydrophobicContact CG1-CD1 3.77Å; V437-L445 HydrophobicContact CG2-CD1 3.65Å; V437-K457 PolarHBondContact N-O 3.15Å; V437-R458 VanDerWaalsContact CG2-C 3.45Å; V437-L459 HydrophobicContact CG2-CB 4.44Å
438A96Very high93.3Very high12 Ų1236.3 Ų36.310%0.09919%0.185CC..PPolyproline II helixtrans-53.2133.5175.600000110.1Q320 A321 S440 S441 R442Q320-A438 HydrophobicContact CB-CB 4.32Å; A321-A438 PolarHBondContact O-N 3.33Å; A438-S440 PolarHBondContact O-N 2.77Å; A438-S440 VanDerWaalsContact O-N 3.08Å; A438-S441 WeakPolarHBondContact O-CB 3.27Å; A438-S441 PolarHBondContact O-N 3.21Å; A438-R442 PolarHBondContact O-N 3.1Å
439P95.6Very high93.7Very high86 Ų8634.9 Ų34.956%0.55818%0.179SC*.G310 helixtrans-51.2-38.4-175.6-30.535.7000114.4S441 R442P439-S441 PolarHBondContact O-N 3.28Å; P439-R442 PolarHBondContact O-N 3.22Å
440S94.7Very high94.2Very high84 Ų8430.3 Ų30.359%0.58716%0.159SC*.G310 helixtrans-61.9-24177.358.20000114.3A438 Q443A438-S440 PolarHBondContact O-N 2.77Å; A438-S440 VanDerWaalsContact O-N 3.08Å; S440-Q443 PolarHBondContact O-NE2 3.39Å
441S95.9Very high94.8Very high5 Ų530.7 Ų30.74%0.03516%0.161CC..G310 helixtrans-97.7-13.4-175.1-64.80000113.8A322 V323 A438 P439 Q443 Y444A322-S441 WeakPolarHBondContact CA-OG 3.17Å; V323-S441 PolarHBondContact N-OG 3.42Å; A438-S441 WeakPolarHBondContact O-CB 3.27Å; A438-S441 PolarHBondContact O-N 3.21Å; P439-S441 PolarHBondContact O-N 3.28Å; S441-Q443 PolarHBondContact O-N 3.11Å; S441-Y444 WeakPolarHBondContact O-CD2 3.47Å; S441-Y444 PolarHBondContact O-N 3.26Å; S441-Y444 VanDerWaalsContact O-N 3.15Å
442R96Very high95Very high40 Ų4032.1 Ų32.115%0.15118%0.176CC..G310 helixtrans-63.7-29.7-175.7-61.5-175.9-172.81672.9113.2E361 V437 A438 P439 Y444 L445 R455E361-R442 WeakPolarHBondContact OE1-CD 3.34Å; E361-R442 IonicContact OE1-NH1 3.87Å; V437-R442 HydrophobicContact CB-CG 4.24Å; V437-R442 HydrophobicContact CG1-CG 3.83Å; V437-R442 PolarHBondContact O-NE 2.82Å; V437-R442 VanDerWaalsContact O-NE 3.13Å; A438-R442 PolarHBondContact O-N 3.1Å; P439-R442 PolarHBondContact O-N 3.22Å; R442-Y444 PolarHBondContact O-N 3.45Å; R442-Y444 VanDerWaalsContact O-N 3.14Å; R442-L445 PolarHBondContact O-N 2.98Å; R442-R455 HydrophobicContact CB-CG 4.38Å
443Q94.8Very high95.2Very high79 Ų7933.2 Ų33.237%0.36918%0.181SC..G310 helixtrans-57.6-25.4176.465.3-179.9-46.900113.8S440 S441 V446S440-Q443 PolarHBondContact O-NE2 3.39Å; S441-Q443 PolarHBondContact O-N 3.11Å; Q443-V446 WeakPolarHBondContact O-CG2 3.17Å
444Y96.3Very high95.5Very high51 Ų5132.4 Ų32.420%0.218%0.177CC..G310 helixtrans-83.6-18.2178.5-57-64.8000112.7V323 I325 W372 I396 S441 R442V323-Y444 HydrophobicContact CB-CD2 3.81Å; V323-Y444 HydrophobicContact CB-CG 4.4Å; V323-Y444 HydrophobicContact CG1-CD2 3.9Å; V323-Y444 HydrophobicContact CG1-CG 4.06Å; I325-Y444 HydrophobicContact CB-CE1 4.42Å; I325-Y444 HydrophobicContact CD1-CD1 4.47Å; I325-Y444 HydrophobicContact CG1-CD1 3.8Å; I325-Y444 HydrophobicContact CG1-CD2 4.38Å; I325-Y444 HydrophobicContact CG1-CE1 3.73Å; I325-Y444 HydrophobicContact CG1-CE2 4.31Å; I325-Y444 HydrophobicContact CG1-CG 4.14Å; W372-Y444 AromaticContact CD1-CD1 3.5Å; W372-Y444 VanDerWaalsContact CD1-CD1 3.5Å; W372-Y444 AromaticContact CD1-CE1 3.95Å; W372-Y444 HydrophobicContact CG-CD1 4.16Å; W372-Y444 AromaticContact NE1-CD1 3.5Å; W372-Y444 AromaticContact NE1-CE1 3.61Å; I396-Y444 VanDerWaalsContact CG2-O 3.3Å; I396-Y444 WeakPolarHBondContact CG2-O 3.23Å; S441-Y444 WeakPolarHBondContact O-CD2 3.47Å; S441-Y444 PolarHBondContact O-N 3.26Å; S441-Y444 VanDerWaalsContact O-N 3.15Å; R442-Y444 PolarHBondContact O-N 3.45Å; R442-Y444 VanDerWaalsContact O-N 3.14Å
445L96.9Very high95.8Very high0 Ų031.2 Ų31.20%017%0.17CC..SBendtrans-106.134.2-172.1-54.1-179.2000112.1V323 F392 I396 V437 R442 F456 P460 V463V323-L445 HydrophobicContact CG2-CD1 4.16Å; V323-L445 HydrophobicContact CG2-CD2 4.06Å; V323-L445 HydrophobicContact CG2-CG 4.12Å; F392-L445 HydrophobicContact CE1-CD2 3.99Å; F392-L445 HydrophobicContact CZ-CD2 4.05Å; I396-L445 HydrophobicContact CD1-CD2 3.49Å; I396-L445 VanDerWaalsContact CD1-CD2 3.49Å; V437-L445 HydrophobicContact CB-CD1 4.31Å; V437-L445 HydrophobicContact CG1-CD1 3.77Å; V437-L445 HydrophobicContact CG2-CD1 3.65Å; R442-L445 PolarHBondContact O-N 2.98Å; L445-F456 HydrophobicContact CB-CB 3.98Å; L445-F456 HydrophobicContact CD1-CB 4.42Å; L445-F456 WeakPolarHBondContact O-CD2 3.15Å; L445-F456 PolarHBondContact O-N 2.98Å; L445-F456 VanDerWaalsContact O-N 3.17Å; L445-P460 HydrophobicContact CB-CG 4.48Å; L445-P460 HydrophobicContact CD1-CG 4.1Å; L445-P460 HydrophobicContact CD2-CG 4.22Å; L445-V463 HydrophobicContact CD2-CG2 3.88Å
446V97.4Very high96.1Very high4 Ų431.3 Ų31.32%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-79.6136175.8176.80000110I370 W372 A373 S374 Q443 F453 F454 R455I370-V446 HydrophobicContact CD1-CG1 4.26Å; I370-V446 HydrophobicContact CG2-CG1 4.07Å; W372-V446 VanDerWaalsContact O-CB 3.24Å; W372-V446 WeakPolarHBondContact O-CB 3.47Å; A373-V446 WeakPolarHBondContact CA-O 3.36Å; A373-V446 HydrophobicContact CB-CG1 4.1Å; S374-V446 PolarHBondContact N-O 2.84Å; Q443-V446 WeakPolarHBondContact O-CG2 3.17Å; V446-F453 HydrophobicContact CG1-CB 4.15Å; V446-F453 HydrophobicContact CG1-CD1 4.01Å; V446-F454 CarbonylContact C-O 3.55Å; V446-F454 VanDerWaalsContact CA-O 3.28Å; V446-F454 WeakPolarHBondContact CA-O 3.49Å; V446-R455 HydrophobicContact CG2-CB 3.94Å
447I97.4Very high96.1Very high0 Ų029.9 Ų29.90%016%0.163CC..EExtended strand (participates in β ladder)trans-110.7139.8174.158.2175.2000112.1L360 S374 I376 S390 T449 F453 F454 F456L360-I447 HydrophobicContact CD1-CD1 4.16Å; L360-I447 HydrophobicContact CD2-CD1 4.03Å; S374-I447 CarbonylContact O-C 3.45Å; S374-I447 VanDerWaalsContact O-CA 3.28Å; S374-I447 WeakPolarHBondContact O-CA 3.48Å; I376-I447 HydrophobicContact CG2-CB 3.85Å; I376-I447 HydrophobicContact CG2-CD1 3.93Å; I376-I447 HydrophobicContact CG2-CG1 4.35Å; I376-I447 HydrophobicContact CG2-CG2 4.26Å; S390-I447 WeakPolarHBondContact OG-CG2 3.24Å; I447-T449 HydrophobicContact CD1-CG2 3.96Å; I447-T449 HydrophobicContact CG1-CG2 4.08Å; I447-F453 WeakPolarHBondContact O-CA 3.4Å; I447-F454 HydrophobicContact CD1-CB 4.2Å; I447-F454 HydrophobicContact CG1-CB 3.83Å; I447-F454 WeakPolarHBondContact CG1-O 3.32Å; I447-F454 PolarHBondContact N-O 3.1Å; I447-F454 PolarHBondContact O-N 3.34Å; I447-F454 VanDerWaalsContact O-N 3.12Å; I447-F456 HydrophobicContact CD1-CE2 4.11Å; I447-F456 HydrophobicContact CD1-CZ 4.41Å; I447-F456 HydrophobicContact CG2-CD2 4.1Å; I447-F456 HydrophobicContact CG2-CE2 3.55Å
448A96.9Very high96Very high1 Ų131 Ų311%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-96.7116.117200000109.8F334 A336 A373 S374 I376 F453F334-A448 VanDerWaalsContact O-CB 3.23Å; F334-A448 WeakPolarHBondContact O-CB 3.09Å; A336-A448 HydrophobicContact CB-CB 4.38Å; A373-A448 HydrophobicContact CB-CB 4.49Å; S374-A448 PolarHBondContact O-N 2.84Å; I376-A448 PolarHBondContact N-O 3.05Å; A448-F453 HydrophobicContact CB-CD1 3.97Å; A448-F453 HydrophobicContact CB-CE1 3.62Å; A448-F453 HydrophobicContact CB-CZ 4.49Å
449T96Very high96Very high7 Ų730.4 Ų30.44%0.04316%0.163CC..EExtended strand (participates in β ladder)trans-120.2167.8178.680.50000110.3A336 I351 I376 I447 L451 G452 F454A336-T449 VanDerWaalsContact CB-O 3.27Å; A336-T449 WeakPolarHBondContact CB-O 3.37Å; I351-T449 HydrophobicContact CD1-CG2 3.92Å; I376-T449 HydrophobicContact CD1-CG2 4.1Å; I376-T449 HydrophobicContact CG2-CG2 3.9Å; I447-T449 HydrophobicContact CD1-CG2 3.96Å; I447-T449 HydrophobicContact CG1-CG2 4.08Å; T449-L451 PolarHBondContact O-N 2.97Å; T449-L451 PolarHBondContact OG1-N 2.93Å; T449-L451 VanDerWaalsContact OG1-N 3.1Å; T449-G452 PolarHBondContact N-O 3.13Å; T449-G452 PolarHBondContact O-N 3.29Å; T449-G452 PolarHBondContact OG1-N 3.23Å; T449-G452 PolarHBondContact OG1-O 3.29Å; T449-F454 HydrophobicContact CG2-CD2 3.83Å; T449-F454 HydrophobicContact CG2-CE2 4.22Å; T449-F454 WeakPolarHBondContact OG1-CE2 3.37Å
450H93.6Very high95.9Very high45 Ų4526.3 Ų26.321%0.20814%0.136CC..THydrogen-bonded Turntrans-70.4-10.417464-80.7000113.6R344 E348R344-H450 VanDerWaalsContact CZ-CD2 3.49Å; R344-H450 PolarHBondContact NH2-CD2 2.62Å; E348-H450 WeakPolarHBondContact CG-NE2 3.42Å; E348-H450 IonicContact OE1-CD2 3.29Å; E348-H450 PolarHBondContact OE1-CD2 3.47Å; E348-H450 IonicContact OE1-NE2 3.33Å; E348-H450 PolarHBondContact OE1-NE2 2.69Å
451L95Very high95.8Very high54 Ų5424.6 Ų24.628%0.28312%0.118SC..THydrogen-bonded Turntrans-94.3-2.4173.4-63.2-176.3000113.4E348 I351 T449 F454E348-L451 HydrophobicContact CB-CD1 4.24Å; E348-L451 HydrophobicContact CG-CD1 3.9Å; E348-L451 HydrophobicContact CG-CD2 4.12Å; E348-L451 HydrophobicContact CG-CG 4.16Å; I351-L451 HydrophobicContact CD1-CD1 4.21Å; I351-L451 HydrophobicContact CG2-CD1 4.47Å; T449-L451 PolarHBondContact O-N 2.97Å; T449-L451 PolarHBondContact OG1-N 2.93Å; T449-L451 VanDerWaalsContact OG1-N 3.1Å; L451-F454 HydrophobicContact CB-CE2 4.05Å; L451-F454 HydrophobicContact CB-CZ 4.21Å
452G94.9Very high95.5Very high31 Ų3126.5 Ų26.532%0.3214%0.138SC..EExtended strand (participates in β ladder)trans119.2-162.9-174.100000113T449T449-G452 PolarHBondContact N-O 3.13Å; T449-G452 PolarHBondContact O-N 3.29Å; T449-G452 PolarHBondContact OG1-N 3.23Å; T449-G452 PolarHBondContact OG1-O 3.29Å
453F96.9Very high95.4Very high58 Ų5824.8 Ų24.825%0.25413%0.133SC..EExtended strand (participates in β ladder)trans-98.5139.8-179.5-63.8-87.1000111.5T333 V363 T365 I370 A373 V446 I447 A448T333-F453 HydrophobicContact CG2-CE1 4.49Å; V363-F453 HydrophobicContact CB-CB 4.04Å; V363-F453 PolarHBondContact N-O 2.91Å; T365-F453 HydrophobicContact CG2-CD2 3.71Å; T365-F453 HydrophobicContact CG2-CE2 4.17Å; I370-F453 HydrophobicContact CD1-CB 3.47Å; I370-F453 VanDerWaalsContact CD1-CB 3.47Å; I370-F453 HydrophobicContact CD1-CD1 3.67Å; I370-F453 HydrophobicContact CD1-CD2 3.57Å; I370-F453 HydrophobicContact CD1-CE1 4.25Å; I370-F453 HydrophobicContact CD1-CE2 4.18Å; I370-F453 HydrophobicContact CD1-CG 3.28Å; I370-F453 HydrophobicContact CD1-CZ 4.48Å; A373-F453 HydrophobicContact CB-CD1 3.95Å; A373-F453 HydrophobicContact CB-CE1 3.65Å; V446-F453 HydrophobicContact CG1-CB 4.15Å; V446-F453 HydrophobicContact CG1-CD1 4.01Å; I447-F453 WeakPolarHBondContact O-CA 3.4Å; A448-F453 HydrophobicContact CB-CD1 3.97Å; A448-F453 HydrophobicContact CB-CE1 3.62Å; A448-F453 HydrophobicContact CB-CZ 4.49Å
454F97.5Very high95.3Very high0 Ų023.3 Ų23.30%013%0.131CC..EExtended strand (participates in β ladder)trans-133.9152.8176.4-60-93.7000108.5I351 L355 L360 E361 R362 V446 I447 T449 L451I351-F454 HydrophobicContact CG2-CD1 4.47Å; I351-F454 HydrophobicContact CG2-CE1 4Å; I351-F454 HydrophobicContact CG2-CE2 4.12Å; I351-F454 HydrophobicContact CG2-CZ 3.81Å; L355-F454 HydrophobicContact CD1-CD1 4.49Å; L355-F454 HydrophobicContact CD1-CE1 3.82Å; L355-F454 HydrophobicContact CD2-CD1 3.93Å; L355-F454 HydrophobicContact CD2-CE1 4.01Å; L355-F454 HydrophobicContact CG-CE1 4.34Å; L360-F454 HydrophobicContact CD1-CB 4.41Å; L360-F454 HydrophobicContact CD2-CB 4.31Å; E361-F454 CarbonylContact O-C 3.59Å; E361-F454 VanDerWaalsContact O-CA 3.23Å; E361-F454 WeakPolarHBondContact O-CA 3.33Å; R362-F454 HydrophobicContact CB-CD1 4.47Å; R362-F454 HydrophobicContact CB-CE1 4.46Å; R362-F454 HydrophobicContact CG-CD1 3.78Å; R362-F454 HydrophobicContact CG-CE1 3.38Å; R362-F454 HydrophobicContact CG-CZ 4.33Å; V446-F454 CarbonylContact C-O 3.55Å; V446-F454 VanDerWaalsContact CA-O 3.28Å; V446-F454 WeakPolarHBondContact CA-O 3.49Å; I447-F454 HydrophobicContact CD1-CB 4.2Å; I447-F454 HydrophobicContact CG1-CB 3.83Å; I447-F454 WeakPolarHBondContact CG1-O 3.32Å; I447-F454 PolarHBondContact N-O 3.1Å; I447-F454 PolarHBondContact O-N 3.34Å; I447-F454 VanDerWaalsContact O-N 3.12Å; T449-F454 HydrophobicContact CG2-CD2 3.83Å; T449-F454 HydrophobicContact CG2-CE2 4.22Å; T449-F454 WeakPolarHBondContact OG1-CE2 3.37Å; L451-F454 HydrophobicContact CB-CE2 4.05Å; L451-F454 HydrophobicContact CB-CZ 4.21Å
455R96.9Very high95.1Very high30 Ų3021.4 Ų21.411%0.11312%0.124CC..EExtended strand (participates in β ladder)trans-119.7148.317175.8-175.175.8-172.9-11.5110.9L360 E361 V363 E368 R442 V446L360-R455 WeakPolarHBondContact CA-O 3.4Å; E361-R455 HydrophobicContact CG-CG 3.24Å; E361-R455 PolarHBondContact N-O 3.35Å; E361-R455 PolarHBondContact O-N 2.85Å; E361-R455 WeakPolarHBondContact OE1-CD 3.46Å; E361-R455 VanDerWaalsContact OE1-CG 3.26Å; E361-R455 WeakPolarHBondContact OE1-CG 3.36Å; V363-R455 HydrophobicContact CG2-CB 4.02Å; V363-R455 HydrophobicContact CG2-CG 4.24Å; E368-R455 IonicContact OE1-CZ 2.69Å; E368-R455 IonicContact OE1-NH1 2.7Å; E368-R455 PolarHBondContact OE1-NH1 3.24Å; E368-R455 IonicContact OE1-NH2 2.69Å; E368-R455 PolarHBondContact OE1-NH2 3Å; E368-R455 IonicContact OE2-CZ 3.78Å; E368-R455 VanDerWaalsContact OE2-CZ 3.29Å; E368-R455 IonicContact OE2-NH1 3.93Å; E368-R455 PolarHBondContact OE2-NH1 3.31Å; E368-R455 IonicContact OE2-NH2 2.62Å; E368-R455 PolarHBondContact OE2-NH2 3.13Å; R442-R455 HydrophobicContact CB-CG 4.38Å; V446-R455 HydrophobicContact CG2-CB 3.94Å
456F97.2Very high94.9Very high4 Ų421.5 Ų21.52%0.01812%0.124CC..EExtended strand (participates in β ladder)trans-78.3129.6176.5-82-80.5000112M354 I359 L360 S390 F392 L445 I447 R458 P460M354-F456 HydrophobicContact CE-CD1 4.45Å; M354-F456 HydrophobicContact CE-CE1 3.42Å; M354-F456 VanDerWaalsContact CE-CE1 3.42Å; M354-F456 HydrophobicContact CE-CZ 3.97Å; I359-F456 HydrophobicContact CG2-CD1 4.09Å; I359-F456 HydrophobicContact CG2-CE1 4.16Å; L360-F456 HydrophobicContact CD2-CD1 3.58Å; L360-F456 HydrophobicContact CD2-CD2 4.03Å; L360-F456 HydrophobicContact CD2-CE1 3.66Å; L360-F456 HydrophobicContact CD2-CE2 4.07Å; L360-F456 HydrophobicContact CD2-CG 3.79Å; L360-F456 HydrophobicContact CD2-CZ 3.89Å; L360-F456 HydrophobicContact CG-CE1 4.44Å; S390-F456 WeakPolarHBondContact OG-CE2 3.38Å; F392-F456 HydrophobicContact CZ-CD2 4.41Å; L445-F456 HydrophobicContact CB-CB 3.98Å; L445-F456 HydrophobicContact CD1-CB 4.42Å; L445-F456 WeakPolarHBondContact O-CD2 3.15Å; L445-F456 PolarHBondContact O-N 2.98Å; L445-F456 VanDerWaalsContact O-N 3.17Å; I447-F456 HydrophobicContact CD1-CE2 4.11Å; I447-F456 HydrophobicContact CD1-CZ 4.41Å; I447-F456 HydrophobicContact CG2-CD2 4.1Å; I447-F456 HydrophobicContact CG2-CE2 3.55Å; F456-R458 WeakPolarHBondContact CB-O 3.12Å; F456-P460 HydrophobicContact CB-CB 4.42Å; F456-P460 HydrophobicContact CB-CG 4.09Å; F456-P460 HydrophobicContact CD1-CB 3.69Å; F456-P460 HydrophobicContact CD1-CG 4.29Å; F456-P460 HydrophobicContact CD2-CB 3.57Å; F456-P460 HydrophobicContact CD2-CG 3.71Å; F456-P460 HydrophobicContact CE1-CB 3.68Å; F456-P460 HydrophobicContact CE2-CB 3.57Å; F456-P460 HydrophobicContact CE2-CG 4.16Å; F456-P460 HydrophobicContact CG-CB 3.63Å; F456-P460 HydrophobicContact CG-CG 3.77Å; F456-P460 HydrophobicContact CZ-CB 3.63Å
457K96.4Very high94.7Very high37 Ų3723.3 Ų23.316%0.16114%0.136CC..SBendtrans-91.7-17.6166.5-66.8-177.856.6172.50112.4D358 I359 E361 V437D358-K457 WeakPolarHBondContact OD1-CE 3.38Å; D358-K457 IonicContact OD1-NZ 3.53Å; D358-K457 PolarHBondContact OD1-NZ 3.13Å; D358-K457 VanDerWaalsContact OD2-CE 3.3Å; D358-K457 WeakPolarHBondContact OD2-CE 3.3Å; D358-K457 IonicContact OD2-NZ 2.62Å; D358-K457 PolarHBondContact OD2-NZ 3.17Å; I359-K457 PolarHBondContact O-N 3.44Å; E361-K457 HydrophobicContact CB-CD 4.03Å; E361-K457 HydrophobicContact CB-CG 4.38Å; E361-K457 HydrophobicContact CG-CD 4.2Å; E361-K457 HydrophobicContact CG-CG 4.09Å; V437-K457 PolarHBondContact N-O 3.15Å
458R94.9Very high94.5Very high22 Ų2224.1 Ų24.18%0.08314%0.143CC..BIsolated β-bridgetrans-119.9154176.5-53-62.4-169.5104.3-1.9111.4G314 I359 L433 Q434 M435 V437 F456 P460G314-R458 PolarHBondContact O-NH1 3.45Å; I359-R458 HydrophobicContact CB-CG 4.38Å; I359-R458 HydrophobicContact CG1-CG 4.2Å; I359-R458 HydrophobicContact CG2-CB 4.24Å; I359-R458 HydrophobicContact CG2-CG 4.34Å; L433-R458 HydrophobicContact CB-CB 4.44Å; L433-R458 HydrophobicContact CD2-CB 4.49Å; L433-R458 WeakPolarHBondContact O-CB 3.41Å; L433-R458 WeakPolarHBondContact O-CD 3.46Å; L433-R458 WeakPolarHBondContact O-CG 3.29Å; L433-R458 PolarHBondContact O-NH1 2.86Å; L433-R458 VanDerWaalsContact O-NH1 3.15Å; Q434-R458 PolarHBondContact O-NH1 3.28Å; M435-R458 CarbonylContact O-C 3.44Å; M435-R458 WeakPolarHBondContact O-CA 3.26Å; V437-R458 VanDerWaalsContact CG2-C 3.45Å; F456-R458 WeakPolarHBondContact CB-O 3.12Å; R458-P460 WeakPolarHBondContact O-CD 3.48Å; R458-P460 VanDerWaalsContact O-N 3.12Å
459L94.9Very high94.3Very high0 Ų026.1 Ų26.10%015%0.153CC..  trans-62.6112-173177.966.7000110.9A321 Y432 M435 V437 F465 A466 L469A321-L459 HydrophobicContact CB-CB 4.34Å; A321-L459 HydrophobicContact CB-CD1 3.98Å; Y432-L459 CarbonylContact C-O 3.59Å; Y432-L459 WeakPolarHBondContact CB-O 3.27Å; Y432-L459 HydrophobicContact CD1-CD2 4.36Å; Y432-L459 WeakPolarHBondContact O-CB 3.3Å; M435-L459 HydrophobicContact CB-CB 4.09Å; M435-L459 HydrophobicContact CB-CD2 4.47Å; M435-L459 PolarHBondContact O-N 3.4Å; M435-L459 HydrophobicContact SD-CD2 3.88Å; V437-L459 HydrophobicContact CG2-CB 4.44Å; L459-F465 HydrophobicContact CD1-CE2 4.05Å; L459-F465 HydrophobicContact CD1-CZ 4.22Å; L459-A466 HydrophobicContact CD1-CB 4.11Å; L459-A466 HydrophobicContact CD2-CB 3.83Å; L459-A466 HydrophobicContact CG-CB 4.07Å; L459-L469 HydrophobicContact CD2-CD2 4.4Å
460P94.5Very high94.2Very high1 Ų125.8 Ų25.81%0.00615%0.151CC..  trans-82.8152.7-174.430.2-30.8000112.4F392 L445 F456 R458 V463F392-P460 HydrophobicContact CE2-CB 3.86Å; F392-P460 HydrophobicContact CE2-CG 3.5Å; F392-P460 VanDerWaalsContact CE2-CG 3.5Å; F392-P460 HydrophobicContact CZ-CB 4.16Å; F392-P460 HydrophobicContact CZ-CG 3.54Å; L445-P460 HydrophobicContact CB-CG 4.48Å; L445-P460 HydrophobicContact CD1-CG 4.1Å; L445-P460 HydrophobicContact CD2-CG 4.22Å; F456-P460 HydrophobicContact CB-CB 4.42Å; F456-P460 HydrophobicContact CB-CG 4.09Å; F456-P460 HydrophobicContact CD1-CB 3.69Å; F456-P460 HydrophobicContact CD1-CG 4.29Å; F456-P460 HydrophobicContact CD2-CB 3.57Å; F456-P460 HydrophobicContact CD2-CG 3.71Å; F456-P460 HydrophobicContact CE1-CB 3.68Å; F456-P460 HydrophobicContact CE2-CB 3.57Å; F456-P460 HydrophobicContact CE2-CG 4.16Å; F456-P460 HydrophobicContact CG-CB 3.63Å; F456-P460 HydrophobicContact CG-CG 3.77Å; F456-P460 HydrophobicContact CZ-CB 3.63Å; R458-P460 WeakPolarHBondContact O-CD 3.48Å; R458-P460 VanDerWaalsContact O-N 3.12Å; P460-V463 HydrophobicContact CG-CG2 3.79Å
461F91Very high94.1Very high48 Ų4823.6 Ų23.621%0.21114%0.141CC..THydrogen-bonded Turntrans-61.4140.4169.6-61.2-84.2000111.6Y432 L433Y432-F461 AromaticContact CD2-CD1 3.37Å; Y432-F461 HydrophobicContact CD2-CD1 3.37Å; Y432-F461 AromaticContact CD2-CE1 3.43Å; Y432-F461 HydrophobicContact CD2-CE1 3.43Å; Y432-F461 VanDerWaalsContact CD2-CE1 3.43Å; Y432-F461 HydrophobicContact CD2-CG 4.21Å; Y432-F461 HydrophobicContact CD2-CZ 4.32Å; Y432-F461 AromaticContact CE2-CD1 3.89Å; Y432-F461 HydrophobicContact CE2-CD1 3.89Å; Y432-F461 HydrophobicContact CE2-CE1 4.06Å; Y432-F461 HydrophobicContact CG-CD1 4.44Å; Y432-F461 HydrophobicContact CG-CE1 4.2Å; L433-F461 HydrophobicContact CD1-CE2 4.11Å; L433-F461 HydrophobicContact CD2-CE2 4.33Å; L433-F461 HydrophobicContact CG-CE2 3.93Å
462G90.8Very high94Very high44 Ų4425.5 Ų25.545%0.45415%0.147SC..THydrogen-bonded Turntrans101-7.3172.500000115N397N397-G462 PolarHBondContact ND2-O 3.39Å
463V92.9Very high93.9Very high5 Ų524.2 Ų24.23%0.0313%0.133CC..  trans-73.3135.5170.8-1730000109.4F392 I396 N397 L445 P460 F465 A466F392-V463 HydrophobicContact CD2-CB 4.37Å; F392-V463 HydrophobicContact CD2-CG2 3.42Å; F392-V463 VanDerWaalsContact CD2-CG2 3.42Å; F392-V463 HydrophobicContact CE2-CG2 3.41Å; F392-V463 VanDerWaalsContact CE2-CG2 3.41Å; F392-V463 HydrophobicContact CG-CG2 3.99Å; F392-V463 HydrophobicContact CZ-CG2 4.04Å; I396-V463 HydrophobicContact CD1-CG1 4.24Å; I396-V463 HydrophobicContact CD1-CG2 4.35Å; N397-V463 WeakPolarHBondContact OD1-CA 3.31Å; L445-V463 HydrophobicContact CD2-CG2 3.88Å; P460-V463 HydrophobicContact CG-CG2 3.79Å; V463-F465 HydrophobicContact CB-CE1 4.47Å; V463-F465 HydrophobicContact CG1-CD1 3.35Å; V463-F465 HydrophobicContact CG1-CE1 3.15Å; V463-F465 HydrophobicContact CG1-CG 4.22Å; V463-F465 HydrophobicContact CG1-CZ 3.86Å; V463-F465 PolarHBondContact O-N 3.16Å; V463-A466 HydrophobicContact CB-CB 4.44Å; V463-A466 PolarHBondContact O-N 3.28Å
464S93Very high93.7Very high47 Ų4722.2 Ų22.233%0.32912%0.124SC..THydrogen-bonded Turntrans-66.3-30.7-170.248.90000114.9N397N397-S464 PolarHBondContact OD1-N 3.26Å; N397-S464 PolarHBondContact OD1-OG 2.98Å
465F92.8Very high93.4Very high12 Ų1224.8 Ų24.85%0.05314%0.137CC..THydrogen-bonded Turntrans-88.7-10-178.370.2-97.1000113.9V323 V400 V402 L459 V463 A468 L469V323-F465 HydrophobicContact CB-CE1 4.26Å; V323-F465 HydrophobicContact CB-CZ 4.37Å; V323-F465 HydrophobicContact CG1-CE1 4.15Å; V323-F465 HydrophobicContact CG2-CE1 3.87Å; V323-F465 HydrophobicContact CG2-CZ 3.72Å; V400-F465 HydrophobicContact CG1-CB 4.35Å; V400-F465 HydrophobicContact CG1-CD1 3.64Å; V400-F465 HydrophobicContact CG1-CE1 4.45Å; V400-F465 HydrophobicContact CG1-CG 4.43Å; V400-F465 HydrophobicContact CG2-CD1 4.42Å; V402-F465 HydrophobicContact CG1-CB 4.3Å; L459-F465 HydrophobicContact CD1-CE2 4.05Å; L459-F465 HydrophobicContact CD1-CZ 4.22Å; V463-F465 HydrophobicContact CB-CE1 4.47Å; V463-F465 HydrophobicContact CG1-CD1 3.35Å; V463-F465 HydrophobicContact CG1-CE1 3.15Å; V463-F465 HydrophobicContact CG1-CG 4.22Å; V463-F465 HydrophobicContact CG1-CZ 3.86Å; V463-F465 PolarHBondContact O-N 3.16Å; F465-A468 PolarHBondContact O-N 2.83Å; F465-L469 HydrophobicContact CD2-CB 4.15Å; F465-L469 HydrophobicContact CD2-CD2 3.97Å; F465-L469 HydrophobicContact CE2-CD2 3.69Å; F465-L469 PolarHBondContact O-N 3.21Å; F465-L469 VanDerWaalsContact O-N 3.09Å
466A93Very high93.2Very high1 Ų127.9 Ų27.91%0.00815%0.152CC..Hα-helixtrans-56.2-45.9-17300000114Y432 L459 V463 A468 L469 F470Y432-A466 HydrophobicContact CE2-CB 4.48Å; L459-A466 HydrophobicContact CD1-CB 4.11Å; L459-A466 HydrophobicContact CD2-CB 3.83Å; L459-A466 HydrophobicContact CG-CB 4.07Å; V463-A466 HydrophobicContact CB-CB 4.44Å; V463-A466 PolarHBondContact O-N 3.28Å; A466-A468 PolarHBondContact O-N 3.35Å; A466-L469 PolarHBondContact O-N 3.4Å; A466-F470 VanDerWaalsContact O-CB 3.26Å; A466-F470 WeakPolarHBondContact O-CB 3.4Å; A466-F470 PolarHBondContact O-N 3.43Å
467P92.9Very high92.9Very high43 Ų4331.3 Ų31.328%0.27917%0.17SC..Hα-helixtrans-62.5-43-178.6-2233.2000113.5Y432 F470 Q471 I488Y432-P467 WeakPolarHBondContact OH-CA 3.43Å; P467-F470 PolarHBondContact O-N 2.94Å; P467-Q471 WeakPolarHBondContact O-CB 3.42Å; P467-Q471 PolarHBondContact O-N 3.11Å; P467-I488 HydrophobicContact CB-CD1 4.37Å
468A92.8Very high92.7Very high17 Ų1731.9 Ų31.914%0.1418%0.175CC..Hα-helixtrans-68.6-43.5-179.100000111.6D403 H405 F465 A466 F470 K472D403-A468 WeakPolarHBondContact O-CB 3.44Å; H405-A468 HydrophobicContact CB-CB 4Å; H405-A468 WeakPolarHBondContact CB-O 3.4Å; F465-A468 PolarHBondContact O-N 2.83Å; A466-A468 PolarHBondContact O-N 3.35Å; A468-F470 VanDerWaalsContact C-N 3.34Å; A468-K472 WeakPolarHBondContact O-CB 3.29Å; A468-K472 PolarHBondContact O-N 3.33Å
469L92.7Very high92.5Very high42 Ų4234.3 Ų34.322%0.2220%0.199CC..Hα-helixtrans-61.6-44.1176175.662.7000111.4A321 M435 L459 F465 A466 K472 T473A321-L469 HydrophobicContact CB-CD2 3.62Å; M435-L469 HydrophobicContact CE-CG 4.31Å; M435-L469 HydrophobicContact SD-CD2 3.62Å; M435-L469 HydrophobicContact SD-CG 3.9Å; L459-L469 HydrophobicContact CD2-CD2 4.4Å; F465-L469 HydrophobicContact CD2-CB 4.15Å; F465-L469 HydrophobicContact CD2-CD2 3.97Å; F465-L469 HydrophobicContact CE2-CD2 3.69Å; F465-L469 PolarHBondContact O-N 3.21Å; F465-L469 VanDerWaalsContact O-N 3.09Å; A466-L469 PolarHBondContact O-N 3.4Å; L469-K472 PolarHBondContact O-N 2.82Å; L469-T473 WeakPolarHBondContact O-CB 3.25Å; L469-T473 PolarHBondContact O-N 3.02Å; L469-T473 PolarHBondContact O-OG1 3Å
470F92.9Very high92.2Very high0 Ų038.1 Ų38.10%024%0.239CC..Hα-helixtrans-69.6-44.4-177.9-159.1-93000111.7I316 A431 Y432 M435 A466 P467 A468 K472 T473 M474 I488 D489I316-F470 HydrophobicContact CD1-CD2 4.45Å; I316-F470 HydrophobicContact CD1-CE2 3.66Å; I316-F470 HydrophobicContact CD1-CZ 4.13Å; A431-F470 HydrophobicContact CB-CE1 3.88Å; A431-F470 HydrophobicContact CB-CE2 4.35Å; A431-F470 HydrophobicContact CB-CZ 3.59Å; A431-F470 VanDerWaalsContact O-CE2 3.27Å; A431-F470 WeakPolarHBondContact O-CE2 3.34Å; Y432-F470 HydrophobicContact CD1-CB 3.84Å; Y432-F470 HydrophobicContact CD1-CD1 4.24Å; Y432-F470 AromaticContact CD1-CD2 3.61Å; Y432-F470 HydrophobicContact CD1-CD2 3.61Å; Y432-F470 HydrophobicContact CD1-CE2 4.21Å; Y432-F470 AromaticContact CD1-CG 3.62Å; Y432-F470 HydrophobicContact CD1-CG 3.62Å; Y432-F470 HydrophobicContact CE1-CB 3.53Å; Y432-F470 HydrophobicContact CE1-CD1 4.1Å; Y432-F470 HydrophobicContact CE1-CD2 4.15Å; Y432-F470 AromaticContact CE1-CG 3.66Å; Y432-F470 HydrophobicContact CE1-CG 3.66Å; M435-F470 HydrophobicContact CE-CD2 3.93Å; A466-F470 VanDerWaalsContact O-CB 3.26Å; A466-F470 WeakPolarHBondContact O-CB 3.4Å; A466-F470 PolarHBondContact O-N 3.43Å; P467-F470 PolarHBondContact O-N 2.94Å; A468-F470 VanDerWaalsContact C-N 3.34Å; F470-K472 PolarHBondContact O-N 3.49Å; F470-T473 PolarHBondContact O-N 3.38Å; F470-M474 HydrophobicContact CD1-CG 3.83Å; F470-M474 HydrophobicContact CE1-CG 3.53Å; F470-M474 HydrophobicContact CE1-SD 4.06Å; F470-M474 HydrophobicContact CZ-CG 4.18Å; F470-M474 HydrophobicContact CZ-SD 4.18Å; F470-M474 WeakPolarHBondContact O-CG 3.24Å; F470-M474 PolarHBondContact O-N 3.26Å; F470-I488 HydrophobicContact CD1-CG2 4.2Å; F470-I488 WeakPolarHBondContact CD1-O 3.14Å; F470-I488 WeakPolarHBondContact CE1-O 3.33Å; F470-D489 HydrophobicContact CE1-CB 3.96Å
471Q93.3Very high92Very high0 Ų042.9 Ų42.90%026%0.263CS..Hα-helixtrans-52.9-52.9171.917973.736.800111.1L407 P408 P467 T473 M474 E475 V486L407-Q471 HydrophobicContact CD2-CB 3.76Å; L407-Q471 HydrophobicContact CD2-CG 3.76Å; P408-Q471 VanDerWaalsContact CD-NE2 3.29Å; P467-Q471 WeakPolarHBondContact O-CB 3.42Å; P467-Q471 PolarHBondContact O-N 3.11Å; Q471-T473 VanDerWaalsContact C-N 3.27Å; Q471-T473 PolarHBondContact O-N 3.13Å; Q471-M474 PolarHBondContact O-N 3.32Å; Q471-E475 PolarHBondContact NE2-OE1 3.43Å; Q471-E475 WeakPolarHBondContact O-CB 3.49Å; Q471-E475 WeakPolarHBondContact O-CG 3.43Å; Q471-E475 PolarHBondContact O-N 3.35Å; Q471-V486 PolarHBondContact NE2-O 3.27Å
472K92.5Very high91.9Very high94 Ų9449.7 Ų49.741%0.40930%0.296SS..Hα-helixtrans-57.2-43.5179.8-178.1179.3174.9-177.20111.7H405 A468 L469 F470 Q476H405-K472 HydrophobicContact CB-CB 4.23Å; A468-K472 WeakPolarHBondContact O-CB 3.29Å; A468-K472 PolarHBondContact O-N 3.33Å; L469-K472 PolarHBondContact O-N 2.82Å; F470-K472 PolarHBondContact O-N 3.49Å; K472-Q476 VanDerWaalsContact O-CG 3.27Å; K472-Q476 WeakPolarHBondContact O-CG 3.38Å; K472-Q476 PolarHBondContact O-N 3.23Å
473T92.8Very high91.8Very high4 Ų450 Ų503%0.02530%0.299CS..Hα-helixtrans-65.8-47.2-178.9-58.20000111.1I316 Y319 M435 L469 F470 Q471 E475 Q476 I477I316-T473 HydrophobicContact CD1-CG2 4.47Å; I316-T473 HydrophobicContact CG2-CG2 4.24Å; Y319-T473 HydrophobicContact CD1-CG2 3.57Å; Y319-T473 HydrophobicContact CD2-CG2 4.14Å; Y319-T473 HydrophobicContact CE1-CG2 4.01Å; Y319-T473 HydrophobicContact CG-CG2 3.64Å; M435-T473 HydrophobicContact CE-CG2 3.71Å; M435-T473 VanDerWaalsContact CE-OG1 3.31Å; M435-T473 WeakPolarHBondContact CE-OG1 3.43Å; L469-T473 WeakPolarHBondContact O-CB 3.25Å; L469-T473 PolarHBondContact O-N 3.02Å; L469-T473 PolarHBondContact O-OG1 3Å; F470-T473 PolarHBondContact O-N 3.38Å; Q471-T473 VanDerWaalsContact C-N 3.27Å; Q471-T473 PolarHBondContact O-N 3.13Å; T473-E475 VanDerWaalsContact C-N 3.35Å; T473-E475 PolarHBondContact O-N 3.09Å; T473-Q476 WeakPolarHBondContact O-CB 3.42Å; T473-Q476 PolarHBondContact O-N 3.32Å; T473-Q476 VanDerWaalsContact O-N 3.15Å; T473-I477 HydrophobicContact CG2-CD1 3.7Å; T473-I477 HydrophobicContact CG2-CG1 4.39Å; T473-I477 VanDerWaalsContact O-CG1 3.3Å; T473-I477 WeakPolarHBondContact O-CG1 3.02Å; T473-I477 PolarHBondContact O-N 3.07Å
474M92.8Very high91.8Very high15 Ų1552.4 Ų52.47%0.07431%0.314CS..Hα-helixtrans-63.8-39.4178.6-72-56.8-56.300112.3F470 Q471 Q476 I477 L478 V486F470-M474 HydrophobicContact CD1-CG 3.83Å; F470-M474 HydrophobicContact CE1-CG 3.53Å; F470-M474 HydrophobicContact CE1-SD 4.06Å; F470-M474 HydrophobicContact CZ-CG 4.18Å; F470-M474 HydrophobicContact CZ-SD 4.18Å; F470-M474 WeakPolarHBondContact O-CG 3.24Å; F470-M474 PolarHBondContact O-N 3.26Å; Q471-M474 PolarHBondContact O-N 3.32Å; M474-Q476 VanDerWaalsContact C-N 3.32Å; M474-Q476 PolarHBondContact O-N 3.28Å; M474-I477 PolarHBondContact O-N 3.22Å; M474-I477 HydrophobicContact SD-CD1 4.44Å; M474-L478 HydrophobicContact CE-CD1 3.75Å; M474-L478 HydrophobicContact CE-CG 4.37Å; M474-L478 WeakPolarHBondContact O-CB 3.32Å; M474-L478 WeakPolarHBondContact O-CG 3.44Å; M474-L478 PolarHBondContact O-N 3.42Å; M474-V486 HydrophobicContact CB-CG1 3.55Å; M474-V486 HydrophobicContact CG-CG1 4.39Å
475E91.3Very high91.7Very high55 Ų5551.8 Ų51.826%0.25731%0.31SS..Hα-helixtrans-63.4-36.4173.4-75.3179.6173.800112.9H405 Q471 T473 A479H405-E475 IonicContact CD2-OE2 3.52Å; H405-E475 IonicContact CE1-OE2 3.66Å; H405-E475 PolarHBondContact CE1-OE2 3.26Å; H405-E475 IonicContact NE2-OE1 3.56Å; H405-E475 IonicContact NE2-OE2 2.82Å; H405-E475 PolarHBondContact NE2-OE2 3.31Å; Q471-E475 PolarHBondContact NE2-OE1 3.43Å; Q471-E475 WeakPolarHBondContact O-CB 3.49Å; Q471-E475 WeakPolarHBondContact O-CG 3.43Å; Q471-E475 PolarHBondContact O-N 3.35Å; T473-E475 VanDerWaalsContact C-N 3.35Å; T473-E475 PolarHBondContact O-N 3.09Å; E475-A479 WeakPolarHBondContact O-CA 3.48Å; E475-A479 WeakPolarHBondContact O-CB 3.24Å; E475-A479 PolarHBondContact O-N 2.87Å
476Q91.9Very high91.6Very high95 Ų9552 Ų5244%0.44431%0.311SS..Hα-helixtrans-69.7-42175.2-74.5176.3-28.600112.1Y319 K472 T473 M474 L478 A479Y319-Q476 HydrophobicContact CE1-CB 4.5Å; K472-Q476 VanDerWaalsContact O-CG 3.27Å; K472-Q476 WeakPolarHBondContact O-CG 3.38Å; K472-Q476 PolarHBondContact O-N 3.23Å; T473-Q476 WeakPolarHBondContact O-CB 3.42Å; T473-Q476 PolarHBondContact O-N 3.32Å; T473-Q476 VanDerWaalsContact O-N 3.15Å; M474-Q476 VanDerWaalsContact C-N 3.32Å; M474-Q476 PolarHBondContact O-N 3.28Å; Q476-L478 VanDerWaalsContact C-N 3.35Å; Q476-A479 WeakPolarHBondContact O-CB 3.24Å; Q476-A479 PolarHBondContact O-N 3.36Å
477I91.7Very high91.6Very high75 Ų7557.4 Ų57.439%0.38533%0.333SS..Hα-helixtrans-64.9-41178.9-69.4166.5000111I316 Y319 T473 M474 A479I316-I477 HydrophobicContact CG2-CD1 3.47Å; I316-I477 VanDerWaalsContact CG2-CD1 3.47Å; Y319-I477 HydrophobicContact CD2-CD1 4.29Å; Y319-I477 HydrophobicContact CD2-CG1 4.4Å; Y319-I477 HydrophobicContact CE2-CD1 4.08Å; Y319-I477 HydrophobicContact CE2-CG1 3.7Å; T473-I477 HydrophobicContact CG2-CD1 3.7Å; T473-I477 HydrophobicContact CG2-CG1 4.39Å; T473-I477 VanDerWaalsContact O-CG1 3.3Å; T473-I477 WeakPolarHBondContact O-CG1 3.02Å; T473-I477 PolarHBondContact O-N 3.07Å; M474-I477 PolarHBondContact O-N 3.22Å; M474-I477 HydrophobicContact SD-CD1 4.44Å; I477-A479 VanDerWaalsContact C-N 3.35Å
478L91.3Very high91.4Very high50 Ų5056.6 Ų56.626%0.26233%0.325SS..THydrogen-bonded Turntrans-94.37.6-176.6-60.2171.7000112.9M474 Q476 G480 L481 V484 V486M474-L478 HydrophobicContact CE-CD1 3.75Å; M474-L478 HydrophobicContact CE-CG 4.37Å; M474-L478 WeakPolarHBondContact O-CB 3.32Å; M474-L478 WeakPolarHBondContact O-CG 3.44Å; M474-L478 PolarHBondContact O-N 3.42Å; Q476-L478 VanDerWaalsContact C-N 3.35Å; L478-G480 PolarHBondContact O-N 3.44Å; L478-L481 HydrophobicContact CB-CD1 4.32Å; L478-L481 HydrophobicContact CD2-CD1 3.72Å; L478-L481 PolarHBondContact O-N 3.43Å; L478-V484 HydrophobicContact CB-CG1 4.43Å; L478-V484 HydrophobicContact CD1-CG1 4.16Å; L478-V486 HydrophobicContact CB-CG2 4.49Å; L478-V486 HydrophobicContact CD1-CG2 3.4Å
479A90Very high90.9Very high73 Ų7359.4 Ų59.460%0.60334%0.338SS*.THydrogen-bonded Turntrans-58.7132.7177.400000110.7E475 Q476 I477E475-A479 WeakPolarHBondContact O-CA 3.48Å; E475-A479 WeakPolarHBondContact O-CB 3.24Å; E475-A479 PolarHBondContact O-N 2.87Å; Q476-A479 WeakPolarHBondContact O-CB 3.24Å; Q476-A479 PolarHBondContact O-N 3.36Å; I477-A479 VanDerWaalsContact C-N 3.35Å
480G89.2Confident90.8Very high80 Ų8060.3 Ų60.383%0.82534%0.344SS*.THydrogen-bonded Turntrans91.3-4.8-179.300000115L478L478-G480 PolarHBondContact O-N 3.44Å
481L91Very high90.7Very high100 Ų10063.5 Ų63.552%0.52436%0.362SS..  trans-86112.2171.5-58.8-179.6000110.7L478 V484L478-L481 HydrophobicContact CB-CD1 4.32Å; L478-L481 HydrophobicContact CD2-CD1 3.72Å; L478-L481 PolarHBondContact O-N 3.43Å; L481-V484 HydrophobicContact CB-CB 4.07Å; L481-V484 HydrophobicContact CB-CG2 3.66Å; L481-V484 HydrophobicContact CD1-CG2 4.33Å
482E87.9Confident90.6Very high192 Ų19267 Ų6790%0.89738%0.383SS*.THydrogen-bonded Turntrans-70.3144.3174.3-65.4-173.3175.600111.4V484E482-V484 PolarHBondContact O-N 3.1Å
483G89.4Confident90.5Very high51 Ų5165.4 Ų65.453%0.52638%0.381SS..THydrogen-bonded Turntrans71.712.4-179.900000114.8L417L417-G483 WeakPolarHBondContact CD2-O 3.35Å
484V92Very high90.3Very high55 Ų5569.3 Ų69.333%0.33340%0.403SS..  trans-105.3132.6175.7179.40000110.2L478 L481 E482L478-V484 HydrophobicContact CB-CG1 4.43Å; L478-V484 HydrophobicContact CD1-CG1 4.16Å; L481-V484 HydrophobicContact CB-CB 4.07Å; L481-V484 HydrophobicContact CB-CG2 3.66Å; L481-V484 HydrophobicContact CD1-CG2 4.33Å; E482-V484 PolarHBondContact O-N 3.1Å
485S91.4Very high90.2Very high34 Ų3472.9 Ų72.924%0.23843%0.425CS..  trans-130.4137.9173.9-171.40000109.9M413M413-S485 WeakPolarHBondContact CB-OG 3.24Å; M413-S485 WeakPolarHBondContact CG-OG 3.42Å
486V91.7Very high90.1Very high15 Ų1574.1 Ų74.19%0.09144%0.437CS..  trans-118.7132.6-173.5177.80000109.2P408 Q471 M474 L478P408-V486 WeakPolarHBondContact CG-O 3.17Å; Q471-V486 PolarHBondContact NE2-O 3.27Å; M474-V486 HydrophobicContact CB-CG1 3.55Å; M474-V486 HydrophobicContact CG-CG1 4.39Å; L478-V486 HydrophobicContact CB-CG2 4.49Å; L478-V486 HydrophobicContact CD1-CG2 3.4Å
487Y92.2Very high90Very high116 Ų11672.5 Ų72.546%0.45544%0.437SS..SBendtrans-13292.7170.5-174-97000109.9L407 P408 M413 D489L407-Y487 HydrophobicContact CB-CE2 4.35Å; P408-Y487 HydrophobicContact CG-CD2 4.36Å; M413-Y487 HydrophobicContact CE-CD2 4.29Å; M413-Y487 HydrophobicContact SD-CD2 4.44Å; Y487-D489 VanDerWaalsContact C-N 3.34Å; Y487-D489 PolarHBondContact O-N 3.38Å
488I88.8Confident89.8Confident25 Ų2572.3 Ų72.313%0.12844%0.441CS..  trans63.3-84.9-171.6-53.7173.7000110.5L407 Y432 P467 F470L407-I488 HydrophobicContact CD2-CG1 4.07Å; Y432-I488 HydrophobicContact CE1-CG2 3.94Å; Y432-I488 WeakPolarHBondContact OH-CG2 3.11Å; P467-I488 HydrophobicContact CB-CD1 4.37Å; F470-I488 HydrophobicContact CD1-CG2 4.2Å; F470-I488 WeakPolarHBondContact CD1-O 3.14Å; F470-I488 WeakPolarHBondContact CE1-O 3.33Å
489D82.7Confident89.7Confident77 Ų7774.4 Ų74.441%0.41246%0.457SS..  trans-113.50-171.853.4-36.8000115.6Q428 A431 F470 Y487Q428-D489 HydrophobicContact CB-CB 4.42Å; Q428-D489 WeakPolarHBondContact CG-OXT 3.42Å; Q428-D489 PolarHBondContact NE2-OXT 2.9Å; A431-D489 HydrophobicContact CB-CB 3.39Å; F470-D489 HydrophobicContact CE1-CB 3.96Å; Y487-D489 VanDerWaalsContact C-N 3.34Å; Y487-D489 PolarHBondContact O-N 3.38Å

Retrieved 489 of 489 residues in 2847.6 ms (Link to these results)

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