A0A087XB64_POEFO Loading...

RNA-splicing ligase RtcB homolog

Catalytic subunit of the tRNA-splicing ligase complex that acts by directly joining spliced tRNA halves to mature-sized tRNAs by incorporating the precursor-derived splice junction phosphate into the mature tRNA as a canonical 3',5'-phosphodiester. May act as an RNA ligase with broad substrate specificity, and may function toward other RNAs.

AlphaFold DB , UniProt , Accession A0A087XB64, Species POEFO (Poecilia formosa, Amazon molly), Gene RTCB, Length 505 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
1M48.3Very low87.9Confident244 Ų24485.6 Ų85.6100%1.20245%0.446SS*.  0140.50-68.3176.8-160.100107.9R3M1-R3 PolarHBondContact O-N 2.9Å
2S72.7Confident88.7Confident117 Ų11779.8 Ų79.882%0.81842%0.416SS*.PPolyproline II helixtrans-65.9125.6171.751.10000109
3R87.3Confident89.4Confident66 Ų6679.5 Ų79.525%0.24941%0.411CS..PPolyproline II helixtrans-60.4146174.3-89.2-173.9-68.7-143.8-25.1110.7M1 D7 E8 F11 G25 F26M1-R3 PolarHBondContact O-N 2.9Å; R3-D7 HydrophobicContact CB-CB 3.92Å; R3-D7 HydrophobicContact CG-CB 3.87Å; R3-E8 HydrophobicContact CB-CG 3.96Å; R3-E8 WeakPolarHBondContact CB-OE1 3.41Å; R3-E8 IonicContact CZ-OE1 3.2Å; R3-E8 IonicContact CZ-OE2 3Å; R3-E8 IonicContact NE-OE1 2.93Å; R3-E8 PolarHBondContact NE-OE1 3.19Å; R3-E8 IonicContact NE-OE2 3.14Å; R3-E8 PolarHBondContact NE-OE2 3.25Å; R3-E8 VanDerWaalsContact NE-OE2 3.13Å; R3-E8 IonicContact NH1-OE2 3.63Å; R3-E8 IonicContact NH2-OE1 3.79Å; R3-E8 IonicContact NH2-OE2 3.57Å; R3-F11 VanDerWaalsContact NH1-CD2 3.31Å; R3-G25 PolarHBondContact NH1-O 2.88Å; R3-G25 PolarHBondContact NH2-O 2.84Å; R3-F26 PolarHBondContact NH2-O 3.2Å
4S91.4Very high90Very high51 Ų5179.9 Ų79.936%0.35741%0.408SS..PPolyproline II helixtrans-69.5162.4169.876.30000110.3N6 D7 E8S4-N6 PolarHBondContact O-N 2.94Å; S4-D7 VanDerWaalsContact CB-OD2 3.29Å; S4-D7 WeakPolarHBondContact CB-OD2 3.47Å; S4-D7 PolarHBondContact N-OD2 3.23Å; S4-D7 WeakPolarHBondContact O-CB 3.17Å; S4-D7 PolarHBondContact O-N 3.28Å; S4-D7 VanDerWaalsContact O-N 3.09Å; S4-D7 PolarHBondContact OG-N 3.16Å; S4-D7 PolarHBondContact OG-OD2 2.86Å; S4-E8 WeakPolarHBondContact O-CG 3.22Å; S4-E8 PolarHBondContact O-N 2.84Å
5Y93.3Very high90.3Very high36 Ų3678.5 Ų78.514%0.14141%0.405CS..Hα-helixtrans-56.4-40176.2178.1-114.2000112.2D7 E8 L9 L50 R51Y5-D7 VanDerWaalsContact C-N 3.33Å; Y5-D7 PolarHBondContact O-N 2.8Å; Y5-E8 WeakPolarHBondContact O-CB 3.35Å; Y5-E8 PolarHBondContact O-N 2.63Å; Y5-L9 HydrophobicContact CD1-CD1 4.15Å; Y5-L9 HydrophobicContact CD1-CG 4.47Å; Y5-L9 HydrophobicContact CE1-CD1 3.8Å; Y5-L9 HydrophobicContact CE1-CD2 4.34Å; Y5-L9 HydrophobicContact CE1-CG 4.22Å; Y5-L9 HydrophobicContact CE2-CD2 4.17Å; Y5-L9 HydrophobicContact CE2-CG 4.5Å; Y5-L9 WeakPolarHBondContact O-CG 3.49Å; Y5-L9 PolarHBondContact O-N 3.44Å; Y5-L50 HydrophobicContact CD2-CD2 4.47Å; Y5-L50 HydrophobicContact CD2-CG 4.24Å; Y5-L50 HydrophobicContact CE2-CB 4.43Å; Y5-L50 HydrophobicContact CE2-CD2 4.24Å; Y5-L50 HydrophobicContact CE2-CG 4.23Å; Y5-R51 HydrophobicContact CD1-CG 4.3Å; Y5-R51 HydrophobicContact CD2-CB 3.83Å; Y5-R51 HydrophobicContact CD2-CG 4.22Å; Y5-R51 HydrophobicContact CE1-CG 4.38Å; Y5-R51 HydrophobicContact CE2-CB 3.66Å; Y5-R51 HydrophobicContact CE2-CG 4.31Å; Y5-R51 HydrophobicContact CG-CB 4.31Å; Y5-R51 HydrophobicContact CG-CG 4.19Å; Y5-R51 PolarHBondContact OH-NH2 2.95Å
6N94.1Very high90.5Very high111 Ų11175.6 Ų75.659%0.59440%0.4SS*.Hα-helixtrans-66.5-34.6178.4-68.7-20.9000112.4S4 E8 L9S4-N6 PolarHBondContact O-N 2.94Å; N6-E8 VanDerWaalsContact C-N 3.33Å; N6-L9 PolarHBondContact O-N 3.22Å
7D94.1Very high90.7Very high65 Ų6576.5 Ų76.535%0.34841%0.414SS..Hα-helixtrans-68.4-36.3174.3-54.8-41000111.1R3 S4 Y5 Q10 F11R3-D7 HydrophobicContact CB-CB 3.92Å; R3-D7 HydrophobicContact CG-CB 3.87Å; S4-D7 VanDerWaalsContact CB-OD2 3.29Å; S4-D7 WeakPolarHBondContact CB-OD2 3.47Å; S4-D7 PolarHBondContact N-OD2 3.23Å; S4-D7 WeakPolarHBondContact O-CB 3.17Å; S4-D7 PolarHBondContact O-N 3.28Å; S4-D7 VanDerWaalsContact O-N 3.09Å; S4-D7 PolarHBondContact OG-N 3.16Å; S4-D7 PolarHBondContact OG-OD2 2.86Å; Y5-D7 VanDerWaalsContact C-N 3.33Å; Y5-D7 PolarHBondContact O-N 2.8Å; D7-Q10 PolarHBondContact O-N 3.47Å; D7-F11 WeakPolarHBondContact O-CD2 3.36Å; D7-F11 WeakPolarHBondContact O-CE2 3.22Å
8E94.8Very high90.9Very high11 Ų1173 Ų735%0.05140%0.396CS..Hα-helixtrans-66.5-38176.8-65.6-63.9-17500112.1R3 S4 Y5 N6 Q10 F11 F26 L50 K67R3-E8 HydrophobicContact CB-CG 3.96Å; R3-E8 WeakPolarHBondContact CB-OE1 3.41Å; R3-E8 IonicContact CZ-OE1 3.2Å; R3-E8 IonicContact CZ-OE2 3Å; R3-E8 IonicContact NE-OE1 2.93Å; R3-E8 PolarHBondContact NE-OE1 3.19Å; R3-E8 IonicContact NE-OE2 3.14Å; R3-E8 PolarHBondContact NE-OE2 3.25Å; R3-E8 VanDerWaalsContact NE-OE2 3.13Å; R3-E8 IonicContact NH1-OE2 3.63Å; R3-E8 IonicContact NH2-OE1 3.79Å; R3-E8 IonicContact NH2-OE2 3.57Å; S4-E8 WeakPolarHBondContact O-CG 3.22Å; S4-E8 PolarHBondContact O-N 2.84Å; Y5-E8 WeakPolarHBondContact O-CB 3.35Å; Y5-E8 PolarHBondContact O-N 2.63Å; N6-E8 VanDerWaalsContact C-N 3.33Å; E8-Q10 PolarHBondContact O-N 3.28Å; E8-F11 PolarHBondContact O-N 3.41Å; E8-F11 VanDerWaalsContact O-N 3.15Å; E8-F26 HydrophobicContact CB-CE2 4.05Å; E8-F26 HydrophobicContact CG-CE2 4.49Å; E8-F26 VanDerWaalsContact OE2-CD2 3.22Å; E8-F26 WeakPolarHBondContact OE2-CD2 3.33Å; E8-F26 WeakPolarHBondContact OE2-CE2 3.46Å; E8-L50 HydrophobicContact CB-CD2 4.21Å; E8-K67 VanDerWaalsContact OE1-CE 3.24Å; E8-K67 WeakPolarHBondContact OE1-CE 3.23Å; E8-K67 IonicContact OE1-NZ 3.19Å; E8-K67 PolarHBondContact OE1-NZ 3.07Å; E8-K67 IonicContact OE2-NZ 2.85Å; E8-K67 PolarHBondContact OE2-NZ 3.34Å
9L96.1Very high91.3Very high58 Ų5870.2 Ų70.230%0.30438%0.382SS..Hα-helixtrans-59.8-27.3178.3-69.7179000113.2Y5 N6 F11 L12 F47Y5-L9 HydrophobicContact CD1-CD1 4.15Å; Y5-L9 HydrophobicContact CD1-CG 4.47Å; Y5-L9 HydrophobicContact CE1-CD1 3.8Å; Y5-L9 HydrophobicContact CE1-CD2 4.34Å; Y5-L9 HydrophobicContact CE1-CG 4.22Å; Y5-L9 HydrophobicContact CE2-CD2 4.17Å; Y5-L9 HydrophobicContact CE2-CG 4.5Å; Y5-L9 WeakPolarHBondContact O-CG 3.49Å; Y5-L9 PolarHBondContact O-N 3.44Å; N6-L9 PolarHBondContact O-N 3.22Å; L9-F11 PolarHBondContact O-N 2.85Å; L9-F11 VanDerWaalsContact O-N 3.12Å; L9-L12 HydrophobicContact CD2-CD1 4.31Å; L9-L12 PolarHBondContact O-N 2.77Å; L9-F47 HydrophobicContact CD2-CD1 3.81Å; L9-F47 HydrophobicContact CD2-CE1 3.58Å
10Q96.8Very high91.6Very high137 Ų13768.2 Ų68.264%0.6437%0.369SS*.THydrogen-bonded Turntrans-63.4-19.5179.3-62.2179.33.500113.2D7 E8D7-Q10 PolarHBondContact O-N 3.47Å; E8-Q10 PolarHBondContact O-N 3.28Å
11F97.8Very high91.9Very high46 Ų4668.4 Ų68.420%0.20236%0.364CS..THydrogen-bonded Turntrans-95.6-3.4178.7-63.8-91.2000113.1R3 D7 E8 L9 K23 G25 F26R3-F11 VanDerWaalsContact NH1-CD2 3.31Å; D7-F11 WeakPolarHBondContact O-CD2 3.36Å; D7-F11 WeakPolarHBondContact O-CE2 3.22Å; E8-F11 PolarHBondContact O-N 3.41Å; E8-F11 VanDerWaalsContact O-N 3.15Å; L9-F11 PolarHBondContact O-N 2.85Å; L9-F11 VanDerWaalsContact O-N 3.12Å; F11-K23 HydrophobicContact CB-CB 4.41Å; F11-K23 HydrophobicContact CD1-CB 4.33Å; F11-K23 WeakPolarHBondContact O-CG 3.47Å; F11-K23 PolarHBondContact O-N 2.92Å; F11-G25 WeakPolarHBondContact CE1-O 3.2Å; F11-F26 HydrophobicContact CB-CB 3.89Å; F11-F26 HydrophobicContact CB-CD2 3.59Å; F11-F26 HydrophobicContact CB-CG 4.17Å; F11-F26 HydrophobicContact CD1-CB 4.26Å; F11-F26 HydrophobicContact CD2-CD2 4.41Å; F11-F26 HydrophobicContact CG-CB 4.15Å; F11-F26 HydrophobicContact CG-CD2 4.09Å
12L97.9Very high94.3Very high16 Ų1656.8 Ų56.88%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-107.3126.2-177.8-56.1-178.4000109.7L9 W20 R21 I22 F26 F36 F47 L50 M66L9-L12 HydrophobicContact CD2-CD1 4.31Å; L9-L12 PolarHBondContact O-N 2.77Å; L12-W20 HydrophobicContact CB-CE3 4.24Å; L12-W20 HydrophobicContact CB-CZ3 4.31Å; L12-R21 WeakPolarHBondContact CA-O 3.48Å; L12-I22 HydrophobicContact CD2-CB 4.34Å; L12-I22 HydrophobicContact CD2-CG1 3.8Å; L12-I22 HydrophobicContact CD2-CG2 4.31Å; L12-F26 HydrophobicContact CD2-CE2 4.29Å; L12-F36 HydrophobicContact CD2-CE1 4.42Å; L12-F47 HydrophobicContact CD1-CE1 3.75Å; L12-F47 HydrophobicContact CD1-CZ 4.03Å; L12-L50 HydrophobicContact CD1-CD2 3.83Å; L12-M66 HydrophobicContact CD1-CE 4.31Å; L12-M66 HydrophobicContact CD1-SD 3.71Å; L12-M66 HydrophobicContact CD2-SD 4.35Å
13E98Very high95.6Very high75 Ų7554.7 Ų54.735%0.3528%0.283SS..EExtended strand (participates in β ladder)trans-132125.8-179.3179.9179.3151.800110.3T15 W20 R21 K23E13-T15 PolarHBondContact O-N 3.1Å; E13-W20 VanDerWaalsContact C-CE3 3.4Å; E13-W20 CarbonylContact O-C 3.53Å; E13-W20 WeakPolarHBondContact O-CA 3.48Å; E13-R21 PolarHBondContact N-O 2.84Å; E13-R21 PolarHBondContact O-N 3.4Å; E13-K23 WeakPolarHBondContact OE2-CE 3.47Å; E13-K23 IonicContact OE2-NZ 2.78Å; E13-K23 PolarHBondContact OE2-NZ 3.19Å
14K97.1Very high96.1Very high86 Ų8657 Ų5737%0.37430%0.295SS..EExtended strand (participates in β ladder)trans-72.8119.8174.6-166.3163.3-171.5154.30108.4G16 W20 D40 E43K14-G16 WeakPolarHBondContact CE-O 3.48Å; K14-G16 VanDerWaalsContact CG-O 3.31Å; K14-G16 WeakPolarHBondContact CG-O 3.47Å; K14-W20 HydrophobicContact CB-CD2 3.96Å; K14-W20 HydrophobicContact CB-CE3 3.98Å; K14-W20 HydrophobicContact CB-CH2 3.87Å; K14-W20 HydrophobicContact CB-CZ2 3.84Å; K14-W20 HydrophobicContact CB-CZ3 3.93Å; K14-W20 HydrophobicContact CD-CH2 4.43Å; K14-W20 HydrophobicContact CD-CZ2 3.73Å; K14-W20 HydrophobicContact CG-CD2 4.25Å; K14-W20 HydrophobicContact CG-CZ2 4.03Å; K14-W20 VanDerWaalsContact N-CE3 3.31Å; K14-D40 IonicContact NZ-OD1 3.2Å; K14-E43 IonicContact NZ-OE2 2.85Å; K14-E43 PolarHBondContact NZ-OE2 3.49Å
15T95.8Very high96.3Very high59 Ų5956.4 Ų56.436%0.36230%0.296SS..  trans-103.2-14.3-175.9470000113.5E13 S19 R21E13-T15 PolarHBondContact O-N 3.1Å; T15-S19 PolarHBondContact N-O 2.79Å; T15-S19 PolarHBondContact OG1-O 2.83Å; T15-S19 PolarHBondContact OG1-OG 3.33Å; T15-R21 HydrophobicContact CG2-CB 3.65Å
16G92.9Very high96.4Very high32 Ų3254.7 Ų54.733%0.3329%0.29SS..SBendtrans-164.9-173.9177.500000111.3K14 T18 S19K14-G16 WeakPolarHBondContact CE-O 3.48Å; K14-G16 VanDerWaalsContact CG-O 3.31Å; K14-G16 WeakPolarHBondContact CG-O 3.47Å; G16-T18 PolarHBondContact O-N 2.6Å; G16-S19 PolarHBondContact N-O 2.82Å; G16-S19 PolarHBondContact N-OG 3.29Å
17S93.2Very high96.5Very high91 Ų9149.8 Ų49.864%0.63626%0.264SS*.SBendtrans-62.5-31.9175.850.20000112.4
18T95.7Very high96.6Very high13 Ų1350.7 Ų50.78%0.0827%0.273CS..SBendtrans-1218.8-174.654.40000114.2G16 Y37 V38 T484 D487G16-T18 PolarHBondContact O-N 2.6Å; T18-Y37 CarbonylContact O-C 3.6Å; T18-Y37 WeakPolarHBondContact O-CA 3.48Å; T18-V38 CarbonylContact C-O 3.48Å; T18-V38 VanDerWaalsContact CA-O 3.23Å; T18-V38 WeakPolarHBondContact CA-O 3.18Å; T18-V38 PolarHBondContact O-N 2.85Å; T18-T484 HydrophobicContact CG2-CG2 4.2Å; T18-D487 HydrophobicContact CG2-CB 3.91Å
19S97Very high96.6Very high20 Ų2055.4 Ų55.414%0.1430%0.299CS..EExtended strand (participates in β ladder)trans-138.9144.3-171.267.80000114T15 G16T15-S19 PolarHBondContact N-O 2.79Å; T15-S19 PolarHBondContact OG1-O 2.83Å; T15-S19 PolarHBondContact OG1-OG 3.33Å; G16-S19 PolarHBondContact N-O 2.82Å; G16-S19 PolarHBondContact N-OG 3.29Å
20W98.4Very high96.7Very high30 Ų3053.5 Ų53.511%0.11429%0.288CS..EExtended strand (participates in β ladder)trans-130.3145.4176.6-75.283.2000110.5L12 E13 K14 V35 F36 E43 F47L12-W20 HydrophobicContact CB-CE3 4.24Å; L12-W20 HydrophobicContact CB-CZ3 4.31Å; E13-W20 VanDerWaalsContact C-CE3 3.4Å; E13-W20 CarbonylContact O-C 3.53Å; E13-W20 WeakPolarHBondContact O-CA 3.48Å; K14-W20 HydrophobicContact CB-CD2 3.96Å; K14-W20 HydrophobicContact CB-CE3 3.98Å; K14-W20 HydrophobicContact CB-CH2 3.87Å; K14-W20 HydrophobicContact CB-CZ2 3.84Å; K14-W20 HydrophobicContact CB-CZ3 3.93Å; K14-W20 HydrophobicContact CD-CH2 4.43Å; K14-W20 HydrophobicContact CD-CZ2 3.73Å; K14-W20 HydrophobicContact CG-CD2 4.25Å; K14-W20 HydrophobicContact CG-CZ2 4.03Å; K14-W20 VanDerWaalsContact N-CE3 3.31Å; W20-V35 CarbonylContact O-C 3.36Å; W20-V35 VanDerWaalsContact O-CA 3.28Å; W20-V35 WeakPolarHBondContact O-CA 3.49Å; W20-F36 HydrophobicContact CB-CD1 3.87Å; W20-F36 HydrophobicContact CB-CD2 4Å; W20-F36 HydrophobicContact CB-CE1 3.36Å; W20-F36 HydrophobicContact CB-CE2 3.51Å; W20-F36 HydrophobicContact CB-CG 4.18Å; W20-F36 HydrophobicContact CB-CZ 3.16Å; W20-F36 AromaticContact CD1-CE2 3.7Å; W20-F36 HydrophobicContact CD2-CE2 4.48Å; W20-F36 HydrophobicContact CD2-CZ 4.07Å; W20-F36 HydrophobicContact CG-CD2 4.44Å; W20-F36 HydrophobicContact CG-CE1 4.18Å; W20-F36 AromaticContact CG-CE2 3.63Å; W20-F36 HydrophobicContact CG-CE2 3.63Å; W20-F36 AromaticContact CG-CZ 3.47Å; W20-F36 HydrophobicContact CG-CZ 3.47Å; W20-F36 VanDerWaalsContact CG-CZ 3.47Å; W20-F36 PolarHBondContact N-O 2.89Å; W20-F36 PolarHBondContact O-N 3.13Å; W20-E43 VanDerWaalsContact CZ2-CD 3.47Å; W20-E43 HydrophobicContact CZ2-CG 4.3Å; W20-E43 WeakPolarHBondContact CZ2-OE1 3.44Å; W20-E43 WeakPolarHBondContact CZ2-OE2 3.46Å; W20-E43 PolarHBondContact NE1-OE2 3.43Å; W20-F47 HydrophobicContact CD2-CE2 4.3Å; W20-F47 HydrophobicContact CD2-CZ 4.12Å; W20-F47 AromaticContact CE3-CZ 3.93Å; W20-F47 HydrophobicContact CE3-CZ 3.93Å; W20-F47 HydrophobicContact CH2-CE1 4.46Å; W20-F47 HydrophobicContact CH2-CE2 4.33Å; W20-F47 AromaticContact CH2-CZ 3.66Å; W20-F47 HydrophobicContact CH2-CZ 3.66Å; W20-F47 HydrophobicContact CZ2-CE2 4.04Å; W20-F47 AromaticContact CZ2-CZ 3.84Å; W20-F47 HydrophobicContact CZ2-CZ 3.84Å; W20-F47 AromaticContact CZ3-CZ 3.71Å; W20-F47 HydrophobicContact CZ3-CZ 3.71Å
21R98.4Very high96.8Very high73 Ų7351.4 Ų51.428%0.27528%0.279SS..EExtended strand (participates in β ladder)trans-104.6137.5174.4-176.5-173.5-59.9-167.711.2110.6L12 E13 T15 E33L12-R21 WeakPolarHBondContact CA-O 3.48Å; E13-R21 PolarHBondContact N-O 2.84Å; E13-R21 PolarHBondContact O-N 3.4Å; T15-R21 HydrophobicContact CG2-CB 3.65Å; R21-E33 WeakPolarHBondContact CD-OE2 3.33Å; R21-E33 IonicContact CZ-OE2 3.65Å; R21-E33 IonicContact NE-OE2 3.67Å; R21-E33 IonicContact NH1-OE1 3.57Å; R21-E33 IonicContact NH1-OE2 2.97Å
22I98.5Very high96.8Very high0 Ų050 Ų500%027%0.274CS..EExtended strand (participates in β ladder)trans-104.4106.8168.9-53.9-177.4000107.9L12 F26 M30 G34 F36 M66 I69L12-I22 HydrophobicContact CD2-CB 4.34Å; L12-I22 HydrophobicContact CD2-CG1 3.8Å; L12-I22 HydrophobicContact CD2-CG2 4.31Å; I22-F26 HydrophobicContact CG2-CB 3.39Å; I22-F26 HydrophobicContact CG2-CD1 3.36Å; I22-F26 HydrophobicContact CG2-CD2 4.33Å; I22-F26 HydrophobicContact CG2-CE1 4.17Å; I22-F26 HydrophobicContact CG2-CG 3.43Å; I22-F26 VanDerWaalsContact CG2-CG 3.43Å; I22-M30 HydrophobicContact CG2-CE 4.21Å; I22-G34 PolarHBondContact N-O 3.25Å; I22-G34 PolarHBondContact O-N 2.86Å; I22-F36 HydrophobicContact CD1-CD1 3.9Å; I22-F36 HydrophobicContact CD1-CE1 4.15Å; I22-F36 HydrophobicContact CG1-CD1 3.85Å; I22-F36 HydrophobicContact CG1-CE1 3.84Å; I22-M66 HydrophobicContact CD1-CB 4.32Å; I22-I69 HydrophobicContact CD1-CB 4.07Å; I22-I69 HydrophobicContact CD1-CG2 3.88Å
23K98.4Very high96.8Very high72 Ų7251.8 Ų51.831%0.31328%0.282SS..  trans-66.4149.6-178.4-64.3178.1-177.21790111.5F11 E13 G25 F26F11-K23 HydrophobicContact CB-CB 4.41Å; F11-K23 HydrophobicContact CD1-CB 4.33Å; F11-K23 WeakPolarHBondContact O-CG 3.47Å; F11-K23 PolarHBondContact O-N 2.92Å; E13-K23 WeakPolarHBondContact OE2-CE 3.47Å; E13-K23 IonicContact OE2-NZ 2.78Å; E13-K23 PolarHBondContact OE2-NZ 3.19Å; K23-G25 PolarHBondContact O-N 2.9Å; K23-F26 WeakPolarHBondContact O-CB 3.31Å; K23-F26 PolarHBondContact O-N 2.84Å; K23-F26 VanDerWaalsContact O-N 3.17Å
24K97.8Very high96.8Very high116 Ų11648.2 Ų48.250%0.50427%0.265SS..THydrogen-bonded Turntrans-53.3140.3169.9-71.3-175175.4-174.30110.5M30 Q31 E33K24-M30 HydrophobicContact CB-CB 4.44Å; K24-M30 HydrophobicContact CG-CB 4.25Å; K24-Q31 VanDerWaalsContact CE-C 3.5Å; K24-Q31 WeakPolarHBondContact CE-O 3.4Å; K24-Q31 PolarHBondContact NZ-O 2.83Å; K24-E33 HydrophobicContact CG-CG 4.25Å
25G95.8Very high96.9Very high37 Ų3744.3 Ų44.338%0.38125%0.249SC..THydrogen-bonded Turntrans92.8-6.2-173.500000114.2R3 F11 K23 V27R3-G25 PolarHBondContact NH1-O 2.88Å; R3-G25 PolarHBondContact NH2-O 2.84Å; F11-G25 WeakPolarHBondContact CE1-O 3.2Å; K23-G25 PolarHBondContact O-N 2.9Å; G25-V27 PolarHBondContact O-N 2.87Å
26F96.9Very high97Very high0 Ų041.5 Ų41.50%023%0.231CC..SBendtrans-62.3-25.9170.5-175.1-114.5000113.1R3 E8 F11 L12 I22 K23 M30 L50 M66 K67R3-F26 PolarHBondContact NH2-O 3.2Å; E8-F26 HydrophobicContact CB-CE2 4.05Å; E8-F26 HydrophobicContact CG-CE2 4.49Å; E8-F26 VanDerWaalsContact OE2-CD2 3.22Å; E8-F26 WeakPolarHBondContact OE2-CD2 3.33Å; E8-F26 WeakPolarHBondContact OE2-CE2 3.46Å; F11-F26 HydrophobicContact CB-CB 3.89Å; F11-F26 HydrophobicContact CB-CD2 3.59Å; F11-F26 HydrophobicContact CB-CG 4.17Å; F11-F26 HydrophobicContact CD1-CB 4.26Å; F11-F26 HydrophobicContact CD2-CD2 4.41Å; F11-F26 HydrophobicContact CG-CB 4.15Å; F11-F26 HydrophobicContact CG-CD2 4.09Å; L12-F26 HydrophobicContact CD2-CE2 4.29Å; I22-F26 HydrophobicContact CG2-CB 3.39Å; I22-F26 HydrophobicContact CG2-CD1 3.36Å; I22-F26 HydrophobicContact CG2-CD2 4.33Å; I22-F26 HydrophobicContact CG2-CE1 4.17Å; I22-F26 HydrophobicContact CG2-CG 3.43Å; I22-F26 VanDerWaalsContact CG2-CG 3.43Å; K23-F26 WeakPolarHBondContact O-CB 3.31Å; K23-F26 PolarHBondContact O-N 2.84Å; K23-F26 VanDerWaalsContact O-N 3.17Å; F26-M30 HydrophobicContact CB-SD 3.81Å; F26-L50 HydrophobicContact CZ-CD1 4.09Å; F26-L50 HydrophobicContact CZ-CD2 4.33Å; F26-M66 HydrophobicContact CE1-CB 4.13Å; F26-M66 WeakPolarHBondContact CE1-O 3.39Å; F26-M66 HydrophobicContact CZ-CB 4.23Å; F26-K67 HydrophobicContact CD1-CD 4.27Å; F26-K67 HydrophobicContact CE1-CD 3.6Å; F26-K67 HydrophobicContact CE1-CG 4.19Å; F26-K67 VanDerWaalsContact CE2-NZ 3.32Å; F26-K67 HydrophobicContact CZ-CD 3.88Å; F26-K67 HydrophobicContact CZ-CG 4.42Å; F26-K67 VanDerWaalsContact CZ-NZ 3.28Å; F26-K67 PolarHBondContact O-NZ 3.32Å
27V96.1Very high97.3Very high8 Ų840.5 Ų40.55%0.04822%0.218CC..SBendtrans-139.2162.2160.4-60.20000108.2G25 M30 K67 G70 N289G25-V27 PolarHBondContact O-N 2.87Å; V27-M30 HydrophobicContact CG2-CG 3.55Å; V27-M30 HydrophobicContact CG2-SD 3.96Å; V27-M30 WeakPolarHBondContact O-CG 3.46Å; V27-K67 HydrophobicContact CG1-CD 3.82Å; V27-G70 WeakPolarHBondContact CG2-O 3.09Å; V27-N289 WeakPolarHBondContact CG2-ND2 3.38Å
28P95.5Very high97.5Very high84 Ų8436.1 Ų36.155%0.54519%0.187SC..THydrogen-bonded Turntrans-57.2151.1175.3-24.535.5000112.1M30 N289P28-M30 VanDerWaalsContact C-N 3.26Å; P28-M30 PolarHBondContact O-N 2.81Å; P28-M30 VanDerWaalsContact O-N 3.17Å; P28-N289 PolarHBondContact O-ND2 2.87Å
29N95.1Very high97.5Very high110 Ų11037 Ų3759%0.58819%0.191SC*.THydrogen-bonded Turntrans63.916.3168.8-47.3-46.1000116.8Q31 A74N29-Q31 PolarHBondContact O-N 2.97Å; N29-Q31 VanDerWaalsContact O-N 3.12Å; N29-A74 HydrophobicContact CB-CB 4.24Å; N29-A74 VanDerWaalsContact O-CA 3.29Å; N29-A74 WeakPolarHBondContact O-CA 3.47Å; N29-A74 VanDerWaalsContact O-CB 3.31Å; N29-A74 WeakPolarHBondContact O-CB 3.39Å
30M98.1Very high97.4Very high18 Ų1841.1 Ų41.19%0.08921%0.212CC..  trans-56.2117.8174.4-73.1178.670.400111.5I22 K24 F26 V27 P28 V32 A73I22-M30 HydrophobicContact CG2-CE 4.21Å; K24-M30 HydrophobicContact CB-CB 4.44Å; K24-M30 HydrophobicContact CG-CB 4.25Å; F26-M30 HydrophobicContact CB-SD 3.81Å; V27-M30 HydrophobicContact CG2-CG 3.55Å; V27-M30 HydrophobicContact CG2-SD 3.96Å; V27-M30 WeakPolarHBondContact O-CG 3.46Å; P28-M30 VanDerWaalsContact C-N 3.26Å; P28-M30 PolarHBondContact O-N 2.81Å; P28-M30 VanDerWaalsContact O-N 3.17Å; M30-V32 WeakPolarHBondContact CE-O 3.45Å; M30-A73 HydrophobicContact CE-CB 3.92Å; M30-A73 HydrophobicContact CG-CB 4.39Å
31Q97.6Very high97.2Very high93 Ų9342.3 Ų42.344%0.43523%0.225SC..SBendtrans-85.3-30.6176.7-57.6-144.317.400111.9K24 N29 A73 I78K24-Q31 VanDerWaalsContact CE-C 3.5Å; K24-Q31 WeakPolarHBondContact CE-O 3.4Å; K24-Q31 PolarHBondContact NZ-O 2.83Å; N29-Q31 PolarHBondContact O-N 2.97Å; N29-Q31 VanDerWaalsContact O-N 3.12Å; Q31-A73 PolarHBondContact N-O 2.84Å; Q31-I78 HydrophobicContact CB-CG2 4.04Å
32V98.1Very high97.1Very high17 Ų1738.9 Ų38.910%0.10321%0.212CC..SBendtrans-130.2171.1176.6-63.50000110.8M30 A73 I78 H80M30-V32 WeakPolarHBondContact CE-O 3.45Å; V32-A73 HydrophobicContact CG2-CB 3.87Å; V32-A73 PolarHBondContact N-O 2.91Å; V32-I78 HydrophobicContact CB-CG2 4.42Å; V32-I78 HydrophobicContact CG1-CG2 4.04Å; V32-I78 HydrophobicContact CG2-CD1 3.88Å; V32-I78 HydrophobicContact CG2-CG1 4.15Å; V32-I78 HydrophobicContact CG2-CG2 3.62Å; V32-H80 WeakPolarHBondContact CB-O 3.4Å
33E98.3Very high97Very high54 Ų5440.9 Ų40.925%0.25222%0.221SC..EExtended strand (participates in β ladder)trans-77.8157.1169.5-63.9-174.8139.800110.7R21 K24 R81 S82R21-E33 WeakPolarHBondContact CD-OE2 3.33Å; R21-E33 IonicContact CZ-OE2 3.65Å; R21-E33 IonicContact NE-OE2 3.67Å; R21-E33 IonicContact NH1-OE1 3.57Å; R21-E33 IonicContact NH1-OE2 2.97Å; K24-E33 HydrophobicContact CG-CG 4.25Å; E33-R81 WeakPolarHBondContact O-CA 3.5Å; E33-S82 PolarHBondContact O-N 2.89Å; E33-S82 VanDerWaalsContact O-N 3.16Å
34G98.4Very high96.8Very high0 Ų044.6 Ų44.60%024%0.237CC..EExtended strand (participates in β ladder)trans-94.8153.4165.800000110.9I22 S82I22-G34 PolarHBondContact N-O 3.25Å; I22-G34 PolarHBondContact O-N 2.86Å; G34-S82 CarbonylContact C-O 3.37Å; G34-S82 VanDerWaalsContact CA-O 3.28Å; G34-S82 WeakPolarHBondContact CA-O 3.42Å
35V98.3Very high96.6Very high4 Ų442.3 Ų42.32%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-133.5143.7167.9169.80000108.7W20 Y37 S82 I83 G84W20-V35 CarbonylContact O-C 3.36Å; W20-V35 VanDerWaalsContact O-CA 3.28Å; W20-V35 WeakPolarHBondContact O-CA 3.49Å; V35-Y37 HydrophobicContact CG1-CD2 4.44Å; V35-Y37 HydrophobicContact CG1-CE2 3.95Å; V35-S82 PolarHBondContact N-O 2.81Å; V35-I83 CarbonylContact O-C 3.47Å; V35-I83 WeakPolarHBondContact O-CA 3.48Å; V35-G84 PolarHBondContact O-N 2.94Å
36F98.4Very high96.5Very high0 Ų040.7 Ų40.70%021%0.213CC..EExtended strand (participates in β ladder)trans-136.2146.916762.9-84.3000111.9L12 W20 I22 V38 M46 F47 M66 I69 G84L12-F36 HydrophobicContact CD2-CE1 4.42Å; W20-F36 HydrophobicContact CB-CD1 3.87Å; W20-F36 HydrophobicContact CB-CD2 4Å; W20-F36 HydrophobicContact CB-CE1 3.36Å; W20-F36 HydrophobicContact CB-CE2 3.51Å; W20-F36 HydrophobicContact CB-CG 4.18Å; W20-F36 HydrophobicContact CB-CZ 3.16Å; W20-F36 AromaticContact CD1-CE2 3.7Å; W20-F36 HydrophobicContact CD2-CE2 4.48Å; W20-F36 HydrophobicContact CD2-CZ 4.07Å; W20-F36 HydrophobicContact CG-CD2 4.44Å; W20-F36 HydrophobicContact CG-CE1 4.18Å; W20-F36 AromaticContact CG-CE2 3.63Å; W20-F36 HydrophobicContact CG-CE2 3.63Å; W20-F36 AromaticContact CG-CZ 3.47Å; W20-F36 HydrophobicContact CG-CZ 3.47Å; W20-F36 VanDerWaalsContact CG-CZ 3.47Å; W20-F36 PolarHBondContact N-O 2.89Å; W20-F36 PolarHBondContact O-N 3.13Å; I22-F36 HydrophobicContact CD1-CD1 3.9Å; I22-F36 HydrophobicContact CD1-CE1 4.15Å; I22-F36 HydrophobicContact CG1-CD1 3.85Å; I22-F36 HydrophobicContact CG1-CE1 3.84Å; F36-V38 HydrophobicContact CD2-CG1 4.11Å; F36-V38 HydrophobicContact CD2-CG2 3.88Å; F36-V38 HydrophobicContact CE2-CG2 3.75Å; F36-M46 HydrophobicContact CD2-CE 4.21Å; F36-M46 HydrophobicContact CG-CE 4.39Å; F36-F47 HydrophobicContact CE2-CE2 4.44Å; F36-F47 HydrophobicContact CZ-CE2 4.21Å; F36-M66 HydrophobicContact CE1-CE 4.06Å; F36-M66 HydrophobicContact CE1-SD 4.37Å; F36-M66 HydrophobicContact CE2-CE 3.8Å; F36-M66 HydrophobicContact CZ-CE 3.39Å; F36-M66 HydrophobicContact CZ-SD 4.26Å; F36-I69 HydrophobicContact CB-CD1 3.97Å; F36-G84 CarbonylContact C-O 3.42Å; F36-G84 WeakPolarHBondContact CA-O 3.24Å
37Y98.5Very high96.4Very high10 Ų1041.7 Ų41.74%0.03922%0.217CC..EExtended strand (participates in β ladder)trans-104.3125.5-179.2-64.5-89.8000110.2T18 V35 I83 G84 P86 E421 T422 A488T18-Y37 CarbonylContact O-C 3.6Å; T18-Y37 WeakPolarHBondContact O-CA 3.48Å; V35-Y37 HydrophobicContact CG1-CD2 4.44Å; V35-Y37 HydrophobicContact CG1-CE2 3.95Å; Y37-I83 HydrophobicContact CD2-CG2 4.24Å; Y37-I83 HydrophobicContact CE2-CG2 3.84Å; Y37-G84 PolarHBondContact N-O 3.05Å; Y37-P86 WeakPolarHBondContact O-CA 3.46Å; Y37-E421 PolarHBondContact OH-OE2 2.96Å; Y37-T422 HydrophobicContact CE2-CG2 3.73Å; Y37-A488 HydrophobicContact CD1-CB 3.77Å; Y37-A488 HydrophobicContact CE1-CB 4.02Å
38V97.9Very high96.2Very high0 Ų046.3 Ų46.30%024%0.238CC..  trans-154.3145.6177.6-74.30000110.2T18 F36 L42 E43 M46T18-V38 CarbonylContact C-O 3.48Å; T18-V38 VanDerWaalsContact CA-O 3.23Å; T18-V38 WeakPolarHBondContact CA-O 3.18Å; T18-V38 PolarHBondContact O-N 2.85Å; F36-V38 HydrophobicContact CD2-CG1 4.11Å; F36-V38 HydrophobicContact CD2-CG2 3.88Å; F36-V38 HydrophobicContact CE2-CG2 3.75Å; V38-L42 HydrophobicContact CB-CB 3.91Å; V38-L42 HydrophobicContact CG1-CB 3.79Å; V38-E43 HydrophobicContact CB-CB 4.36Å; V38-E43 HydrophobicContact CG2-CB 3.9Å; V38-E43 HydrophobicContact CG2-CG 4.24Å; V38-M46 HydrophobicContact CG1-CG 3.98Å
39N96.4Very high95.9Very high31 Ų3144.9 Ų44.917%0.16622%0.224CC..  trans-88-179.9161.371.69.1000111S41 L42 E43 T484N39-S41 PolarHBondContact O-N 2.7Å; N39-S41 VanDerWaalsContact O-N 3.15Å; N39-S41 WeakPolarHBondContact OD1-CB 3.34Å; N39-S41 PolarHBondContact OD1-N 2.88Å; N39-S41 VanDerWaalsContact OD1-N 3.09Å; N39-L42 PolarHBondContact O-N 3.12Å; N39-L42 WeakPolarHBondContact OD1-CG 3.36Å; N39-L42 PolarHBondContact OD1-N 2.81Å; N39-E43 VanDerWaalsContact O-CB 3.23Å; N39-E43 WeakPolarHBondContact O-CB 3.24Å; N39-E43 PolarHBondContact O-N 3.18Å; N39-T484 WeakPolarHBondContact CB-OG1 3.28Å; N39-T484 PolarHBondContact N-OG1 3.03Å
40D95.3Very high95.8Very high107 Ų10739.7 Ų39.757%0.57220%0.197SC*.Hα-helixtrans-59.6-27.8-177.3-65.7-18000114.4K14 K44K14-D40 IonicContact NZ-OD1 3.2Å; D40-K44 WeakPolarHBondContact O-CG 3.41Å
41S94.4Very high95.5Very high55 Ų5543.6 Ų43.639%0.38521%0.21SC..Hα-helixtrans-72.8-52.1176.8178.70000110.5N39 E43 K44 D480N39-S41 PolarHBondContact O-N 2.7Å; N39-S41 VanDerWaalsContact O-N 3.15Å; N39-S41 WeakPolarHBondContact OD1-CB 3.34Å; N39-S41 PolarHBondContact OD1-N 2.88Å; N39-S41 VanDerWaalsContact OD1-N 3.09Å; S41-E43 VanDerWaalsContact C-N 3.35Å; S41-E43 PolarHBondContact O-N 2.71Å; S41-K44 PolarHBondContact O-N 2.8Å; S41-D480 WeakPolarHBondContact CB-OD2 3.28Å; S41-D480 PolarHBondContact OG-OD2 3.39Å
42L96.3Very high95.1Very high1 Ų142.9 Ų42.91%0.00521%0.209CC..Hα-helixtrans-71.5-30-177.9-61.4176.4000112.6V38 N39 K44 L45 M46 P86 K476 D480 V481V38-L42 HydrophobicContact CB-CB 3.91Å; V38-L42 HydrophobicContact CG1-CB 3.79Å; N39-L42 PolarHBondContact O-N 3.12Å; N39-L42 WeakPolarHBondContact OD1-CG 3.36Å; N39-L42 PolarHBondContact OD1-N 2.81Å; L42-K44 VanDerWaalsContact C-N 3.3Å; L42-K44 PolarHBondContact O-N 3.23Å; L42-L45 HydrophobicContact CD2-CD1 4.36Å; L42-L45 PolarHBondContact O-N 3.31Å; L42-M46 PolarHBondContact O-N 3.24Å; L42-P86 HydrophobicContact CD1-CB 3.71Å; L42-K476 HydrophobicContact CD2-CB 4.07Å; L42-K476 HydrophobicContact CD2-CD 3.99Å; L42-K476 HydrophobicContact CD2-CG 4.3Å; L42-D480 HydrophobicContact CD1-CB 4.27Å; L42-D480 HydrophobicContact CD2-CB 4.35Å; L42-D480 HydrophobicContact CG-CB 4.18Å; L42-V481 HydrophobicContact CD1-CG2 4.08Å; L42-V481 HydrophobicContact CD2-CG2 4.46Å
43E95.9Very high94.6Very high41 Ų4144.6 Ų44.619%0.19223%0.225CC..Hα-helixtrans-56-46.2175.9-171.9-178.3126.700110.4K14 W20 V38 N39 S41 L45 M46 F47K14-E43 IonicContact NZ-OE2 2.85Å; K14-E43 PolarHBondContact NZ-OE2 3.49Å; W20-E43 VanDerWaalsContact CZ2-CD 3.47Å; W20-E43 HydrophobicContact CZ2-CG 4.3Å; W20-E43 WeakPolarHBondContact CZ2-OE1 3.44Å; W20-E43 WeakPolarHBondContact CZ2-OE2 3.46Å; W20-E43 PolarHBondContact NE1-OE2 3.43Å; V38-E43 HydrophobicContact CB-CB 4.36Å; V38-E43 HydrophobicContact CG2-CB 3.9Å; V38-E43 HydrophobicContact CG2-CG 4.24Å; N39-E43 VanDerWaalsContact O-CB 3.23Å; N39-E43 WeakPolarHBondContact O-CB 3.24Å; N39-E43 PolarHBondContact O-N 3.18Å; S41-E43 VanDerWaalsContact C-N 3.35Å; S41-E43 PolarHBondContact O-N 2.71Å; E43-L45 VanDerWaalsContact C-N 3.28Å; E43-L45 PolarHBondContact O-N 2.84Å; E43-M46 PolarHBondContact O-N 3.08Å; E43-M46 VanDerWaalsContact O-N 3.15Å; E43-F47 HydrophobicContact CG-CD2 3.67Å; E43-F47 HydrophobicContact CG-CE2 3.59Å; E43-F47 VanDerWaalsContact O-CD2 3.29Å; E43-F47 WeakPolarHBondContact O-CD2 3.46Å; E43-F47 PolarHBondContact O-N 3.14Å
44K94.3Very high94Very high151 Ų15143.9 Ų43.966%0.65723%0.226SC*.Hα-helixtrans-56.3-42.7-179.9-67.1170.4-172.8174.10112.2D40 S41 L42 F47 E48D40-K44 WeakPolarHBondContact O-CG 3.41Å; S41-K44 PolarHBondContact O-N 2.8Å; L42-K44 VanDerWaalsContact C-N 3.3Å; L42-K44 PolarHBondContact O-N 3.23Å; K44-F47 PolarHBondContact O-N 3.37Å; K44-E48 VanDerWaalsContact O-CB 3.25Å; K44-E48 WeakPolarHBondContact O-CB 3.45Å; K44-E48 PolarHBondContact O-N 3.31Å
45L92.6Very high93.2Very high67 Ų6752.5 Ų52.535%0.35126%0.259SS..Hα-helixtrans-63.6-44.9180-60.5177.3000111.6L42 E43 E48 E49 K476L42-L45 HydrophobicContact CD2-CD1 4.36Å; L42-L45 PolarHBondContact O-N 3.31Å; E43-L45 VanDerWaalsContact C-N 3.28Å; E43-L45 PolarHBondContact O-N 2.84Å; L45-E48 PolarHBondContact O-N 2.9Å; L45-E49 WeakPolarHBondContact O-CB 3.37Å; L45-E49 PolarHBondContact O-N 3.46Å; L45-K476 HydrophobicContact CD1-CG 3.95Å
46M94Very high91.5Very high3 Ų355 Ų552%0.01529%0.285CS..Hα-helixtrans-64.6-43.9-179.8-70.8-69-75.200111.9F36 V38 L42 E43 E49 L50 A65 M66 V88F36-M46 HydrophobicContact CD2-CE 4.21Å; F36-M46 HydrophobicContact CG-CE 4.39Å; V38-M46 HydrophobicContact CG1-CG 3.98Å; L42-M46 PolarHBondContact O-N 3.24Å; E43-M46 PolarHBondContact O-N 3.08Å; E43-M46 VanDerWaalsContact O-N 3.15Å; M46-E49 PolarHBondContact O-N 3.12Å; M46-L50 PolarHBondContact O-N 2.91Å; M46-A65 HydrophobicContact CE-CB 3.91Å; M46-A65 HydrophobicContact SD-CB 4Å; M46-M66 HydrophobicContact CB-CE 3.53Å; M46-M66 HydrophobicContact CE-CE 4.39Å; M46-M66 HydrophobicContact CE-CG 3.64Å; M46-V88 HydrophobicContact CE-CG1 3.54Å; M46-V88 HydrophobicContact SD-CG1 3.67Å
47F95.3Very high89.4Confident21 Ų2158.5 Ų58.59%0.09232%0.321CS..Hα-helixtrans-74.6-30.8-179.8-80.7-99.7000112.7L9 L12 W20 F36 E43 K44 R51 M66L9-F47 HydrophobicContact CD2-CD1 3.81Å; L9-F47 HydrophobicContact CD2-CE1 3.58Å; L12-F47 HydrophobicContact CD1-CE1 3.75Å; L12-F47 HydrophobicContact CD1-CZ 4.03Å; W20-F47 HydrophobicContact CD2-CE2 4.3Å; W20-F47 HydrophobicContact CD2-CZ 4.12Å; W20-F47 AromaticContact CE3-CZ 3.93Å; W20-F47 HydrophobicContact CE3-CZ 3.93Å; W20-F47 HydrophobicContact CH2-CE1 4.46Å; W20-F47 HydrophobicContact CH2-CE2 4.33Å; W20-F47 AromaticContact CH2-CZ 3.66Å; W20-F47 HydrophobicContact CH2-CZ 3.66Å; W20-F47 HydrophobicContact CZ2-CE2 4.04Å; W20-F47 AromaticContact CZ2-CZ 3.84Å; W20-F47 HydrophobicContact CZ2-CZ 3.84Å; W20-F47 AromaticContact CZ3-CZ 3.71Å; W20-F47 HydrophobicContact CZ3-CZ 3.71Å; F36-F47 HydrophobicContact CE2-CE2 4.44Å; F36-F47 HydrophobicContact CZ-CE2 4.21Å; E43-F47 HydrophobicContact CG-CD2 3.67Å; E43-F47 HydrophobicContact CG-CE2 3.59Å; E43-F47 VanDerWaalsContact O-CD2 3.29Å; E43-F47 WeakPolarHBondContact O-CD2 3.46Å; E43-F47 PolarHBondContact O-N 3.14Å; K44-F47 PolarHBondContact O-N 3.37Å; F47-R51 VanDerWaalsContact O-CB 3.27Å; F47-R51 WeakPolarHBondContact O-CB 3.44Å; F47-R51 PolarHBondContact O-N 2.98Å; F47-M66 HydrophobicContact CD1-CE 4.49Å; F47-M66 HydrophobicContact CD2-CE 3.6Å; F47-M66 HydrophobicContact CE2-CE 3.63Å; F47-M66 HydrophobicContact CG-CE 4.07Å; F47-M66 HydrophobicContact CZ-CE 4.1Å
48E91.6Very high87.1Confident106 Ų10662 Ų6250%0.49536%0.36SS..Hα-helixtrans-66-43.5172-172.5-177.6170.600111.3K44 L45 L50 R51 N52K44-E48 VanDerWaalsContact O-CB 3.25Å; K44-E48 WeakPolarHBondContact O-CB 3.45Å; K44-E48 PolarHBondContact O-N 3.31Å; L45-E48 PolarHBondContact O-N 2.9Å; E48-L50 PolarHBondContact O-N 3.3Å; E48-R51 PolarHBondContact O-N 2.86Å; E48-N52 WeakPolarHBondContact O-CB 3.39Å; E48-N52 VanDerWaalsContact O-CG 3.23Å; E48-N52 PolarHBondContact O-N 2.91Å; E48-N52 PolarHBondContact O-ND2 3.46Å
49E90.1Very high84.3Confident54 Ų5468.8 Ų68.825%0.25240%0.401SS..Hα-helixtrans-58.1-47.8175.6-167.8-173.5-143.400111.3L45 M46 N52 A53 P64 A65 S90L45-E49 WeakPolarHBondContact O-CB 3.37Å; L45-E49 PolarHBondContact O-N 3.46Å; M46-E49 PolarHBondContact O-N 3.12Å; E49-N52 PolarHBondContact O-N 3.25Å; E49-A53 PolarHBondContact O-N 3.12Å; E49-A53 VanDerWaalsContact O-N 3.14Å; E49-P64 HydrophobicContact CG-CB 3.88Å; E49-P64 HydrophobicContact CG-CG 4.35Å; E49-A65 WeakPolarHBondContact OE2-CB 3.25Å; E49-A65 PolarHBondContact OE2-N 3.49Å; E49-S90 WeakPolarHBondContact OE1-CB 3.48Å; E49-S90 PolarHBondContact OE1-OG 3.48Å
50L92.4Very high82.3Confident1 Ų171.2 Ų71.21%0.00543%0.434CS..Hα-helixtrans-62.1-45.3176.1-179.163.1000111.9Y5 E8 L12 F26 M46 E48 N52 A53 C54 M66 K67Y5-L50 HydrophobicContact CD2-CD2 4.47Å; Y5-L50 HydrophobicContact CD2-CG 4.24Å; Y5-L50 HydrophobicContact CE2-CB 4.43Å; Y5-L50 HydrophobicContact CE2-CD2 4.24Å; Y5-L50 HydrophobicContact CE2-CG 4.23Å; E8-L50 HydrophobicContact CB-CD2 4.21Å; L12-L50 HydrophobicContact CD1-CD2 3.83Å; F26-L50 HydrophobicContact CZ-CD1 4.09Å; F26-L50 HydrophobicContact CZ-CD2 4.33Å; M46-L50 PolarHBondContact O-N 2.91Å; E48-L50 PolarHBondContact O-N 3.3Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 2.99Å; L50-A53 PolarHBondContact O-N 3.28Å; L50-C54 PolarHBondContact O-N 3.39Å; L50-C54 PolarHBondContact O-SG 3.41Å; L50-M66 HydrophobicContact CB-SD 4.29Å; L50-M66 HydrophobicContact CD2-SD 3.77Å; L50-K67 HydrophobicContact CD1-CG 4.42Å
51R92.2Very high80.8Confident99 Ų9969.6 Ų69.637%0.37444%0.442SS..Hα-helixtrans-60.3-42.2178.9-173.2-177.9-63.3167.11.4111.8Y5 F47 E48 C54 R55Y5-R51 HydrophobicContact CD1-CG 4.3Å; Y5-R51 HydrophobicContact CD2-CB 3.83Å; Y5-R51 HydrophobicContact CD2-CG 4.22Å; Y5-R51 HydrophobicContact CE1-CG 4.38Å; Y5-R51 HydrophobicContact CE2-CB 3.66Å; Y5-R51 HydrophobicContact CE2-CG 4.31Å; Y5-R51 HydrophobicContact CG-CB 4.31Å; Y5-R51 HydrophobicContact CG-CG 4.19Å; Y5-R51 PolarHBondContact OH-NH2 2.95Å; F47-R51 VanDerWaalsContact O-CB 3.27Å; F47-R51 WeakPolarHBondContact O-CB 3.44Å; F47-R51 PolarHBondContact O-N 2.98Å; E48-R51 PolarHBondContact O-N 2.86Å; R51-C54 PolarHBondContact O-N 2.86Å; R51-R55 WeakPolarHBondContact O-CG 3.32Å; R51-R55 PolarHBondContact O-N 2.84Å
52N88Confident79.9Confident78 Ų7872.1 Ų72.142%0.41745%0.446SS..Hα-helixtrans-64.7-39.9178.9-72.9-23.9000111.6E48 E49 L50 C54 R55E48-N52 WeakPolarHBondContact O-CB 3.39Å; E48-N52 VanDerWaalsContact O-CG 3.23Å; E48-N52 PolarHBondContact O-N 2.91Å; E48-N52 PolarHBondContact O-ND2 3.46Å; E49-N52 PolarHBondContact O-N 3.25Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 2.99Å; N52-C54 VanDerWaalsContact C-N 3.27Å; N52-C54 PolarHBondContact O-N 2.87Å; N52-R55 PolarHBondContact O-N 3.01Å; N52-R55 VanDerWaalsContact O-N 3.16Å
53A87.2Confident79.6Confident53 Ų5375.2 Ų75.244%0.43846%0.462SS..Hα-helixtrans-66-26.7175.500000113.9E49 L50 P64E49-A53 PolarHBondContact O-N 3.12Å; E49-A53 VanDerWaalsContact O-N 3.14Å; L50-A53 PolarHBondContact O-N 3.28Å; A53-P64 HydrophobicContact CB-CG 3.23Å
54C86.9Confident79.5Confident40 Ų4073.7 Ų73.727%0.2746%0.456SS..Hα-helixtrans-79.7-14.1174.5-67.40000114L50 R51 N52L50-C54 PolarHBondContact O-N 3.39Å; L50-C54 PolarHBondContact O-SG 3.41Å; R51-C54 PolarHBondContact O-N 2.86Å; N52-C54 VanDerWaalsContact C-N 3.27Å; N52-C54 PolarHBondContact O-N 2.87Å
55R82.1Confident79.5Confident181 Ų18166.5 Ų66.568%0.68343%0.425SS*.SBendtrans-89-14.9-171.7-80.5173.6173-177.4-5.5115.5R51 N52R51-R55 WeakPolarHBondContact O-CG 3.32Å; R51-R55 PolarHBondContact O-N 2.84Å; N52-R55 PolarHBondContact O-N 3.01Å; N52-R55 VanDerWaalsContact O-N 3.16Å
56G61.7Low79.7Confident55 Ų5563.3 Ų63.357%0.56741%0.408SS*.SBendtrans-164.6140-175.900000114.2G58G56-G58 PolarHBondContact O-N 3.1Å
57G54.1Low79.8Confident75 Ų7564.4 Ų64.477%0.77341%0.413SS*.  trans-61.395.5-170.700000114.8V59G57-V59 VanDerWaalsContact O-CG2 3.25Å; G57-V59 WeakPolarHBondContact O-CG2 3.44Å; G57-V59 PolarHBondContact O-N 2.79Å
58G50.2Low79.9Confident82 Ų8263.4 Ų63.485%0.84541%0.409SS*.  trans49.841.1147.400000117.5G56G56-G58 PolarHBondContact O-N 3.1Å
59V40.4Very low80.3Confident144 Ų14458.4 Ų58.487%0.87339%0.385SS*.  trans-97.3104.9175.3-164.70000110.7G57G57-V59 VanDerWaalsContact O-CG2 3.25Å; G57-V59 WeakPolarHBondContact O-CG2 3.44Å; G57-V59 PolarHBondContact O-N 2.79Å
60G52.4Low80.7Confident82 Ų8255.8 Ų55.885%0.84537%0.373SS*.SBendtrans56.369.5152.200000117
61G63.8Low80.9Confident73 Ų7356.1 Ų56.175%0.75338%0.375SS*.SBendtrans-167.817017200000112
62F76.6Confident81.2Confident107 Ų10751.4 Ų51.447%0.46936%0.357SS..PPolyproline II helixtrans-68.2151.9168.3-69.1-68.7000110.3G91 Y92F62-G91 WeakPolarHBondContact CD1-O 3.35Å; F62-G91 WeakPolarHBondContact CE1-O 3.36Å; F62-G91 WeakPolarHBondContact CG-O 3.16Å; F62-Y92 HydrophobicContact CE1-CD2 4.11Å
63L89.9Confident81.7Confident66 Ų6647.7 Ų47.735%0.34634%0.337SS..PPolyproline II helixtrans-62.3146.1170.6-65.9177.3000110K67 Q68 N71 S90 D290L63-K67 HydrophobicContact CB-CB 4.21Å; L63-Q68 HydrophobicContact CB-CG 3.88Å; L63-Q68 VanDerWaalsContact O-CD 3.27Å; L63-Q68 WeakPolarHBondContact O-CG 3.45Å; L63-Q68 PolarHBondContact O-NE2 3.06Å; L63-N71 VanDerWaalsContact CD1-ND2 3.28Å; L63-N71 WeakPolarHBondContact CD1-ND2 3.31Å; L63-S90 PolarHBondContact O-OG 2.82Å; L63-D290 HydrophobicContact CD1-CB 4.43Å; L63-D290 WeakPolarHBondContact CD1-OD2 3.31Å
64P93.1Very high82.3Confident9 Ų945.8 Ų45.86%0.05832%0.321CS..PPolyproline II helixtrans-49146.1173.7-2834000112.4E49 A53 M66 K67 Q68E49-P64 HydrophobicContact CG-CB 3.88Å; E49-P64 HydrophobicContact CG-CG 4.35Å; A53-P64 HydrophobicContact CB-CG 3.23Å; P64-M66 PolarHBondContact O-N 3.09Å; P64-M66 VanDerWaalsContact O-N 3.14Å; P64-K67 HydrophobicContact CB-CG 4.49Å; P64-K67 WeakPolarHBondContact O-CA 3.38Å; P64-K67 WeakPolarHBondContact O-CB 3.39Å; P64-K67 PolarHBondContact O-N 3.22Å; P64-Q68 PolarHBondContact O-N 2.8Å
65A95.3Very high82.8Confident0 Ų043.9 Ų43.90%031%0.308CS..Hα-helixtrans-52-42.6-17900000112.1M46 E49 K67 Q68 I69 V88 A95M46-A65 HydrophobicContact CE-CB 3.91Å; M46-A65 HydrophobicContact SD-CB 4Å; E49-A65 WeakPolarHBondContact OE2-CB 3.25Å; E49-A65 PolarHBondContact OE2-N 3.49Å; A65-K67 VanDerWaalsContact C-N 3.3Å; A65-K67 PolarHBondContact O-N 3.12Å; A65-Q68 PolarHBondContact O-N 2.97Å; A65-Q68 VanDerWaalsContact O-N 3.13Å; A65-I69 VanDerWaalsContact O-CG1 3.32Å; A65-I69 WeakPolarHBondContact O-CG1 3.38Å; A65-I69 PolarHBondContact O-N 2.97Å; A65-V88 HydrophobicContact CB-CG2 4.12Å; A65-A95 HydrophobicContact CB-CB 4.25Å
66M96.8Very high83.5Confident0 Ų036.1 Ų36.10%028%0.281CS..Hα-helixtrans-57.7-40.8175.9-65.5-169-179.900112.7L12 I22 F26 F36 M46 F47 L50 P64 G70L12-M66 HydrophobicContact CD1-CE 4.31Å; L12-M66 HydrophobicContact CD1-SD 3.71Å; L12-M66 HydrophobicContact CD2-SD 4.35Å; I22-M66 HydrophobicContact CD1-CB 4.32Å; F26-M66 HydrophobicContact CE1-CB 4.13Å; F26-M66 WeakPolarHBondContact CE1-O 3.39Å; F26-M66 HydrophobicContact CZ-CB 4.23Å; F36-M66 HydrophobicContact CE1-CE 4.06Å; F36-M66 HydrophobicContact CE1-SD 4.37Å; F36-M66 HydrophobicContact CE2-CE 3.8Å; F36-M66 HydrophobicContact CZ-CE 3.39Å; F36-M66 HydrophobicContact CZ-SD 4.26Å; M46-M66 HydrophobicContact CB-CE 3.53Å; M46-M66 HydrophobicContact CE-CE 4.39Å; M46-M66 HydrophobicContact CE-CG 3.64Å; F47-M66 HydrophobicContact CD1-CE 4.49Å; F47-M66 HydrophobicContact CD2-CE 3.6Å; F47-M66 HydrophobicContact CE2-CE 3.63Å; F47-M66 HydrophobicContact CG-CE 4.07Å; F47-M66 HydrophobicContact CZ-CE 4.1Å; L50-M66 HydrophobicContact CB-SD 4.29Å; L50-M66 HydrophobicContact CD2-SD 3.77Å; P64-M66 PolarHBondContact O-N 3.09Å; P64-M66 VanDerWaalsContact O-N 3.14Å; M66-G70 PolarHBondContact O-N 2.83Å; M66-G70 VanDerWaalsContact O-N 3.13Å
67K96.5Very high85.1Confident27 Ų2733.8 Ų33.812%0.11726%0.257CS..Hα-helixtrans-69.4-36.2177.7-73.3-67.9178.7-155.80111.7E8 F26 V27 L50 L63 P64 A65 G70 N71E8-K67 VanDerWaalsContact OE1-CE 3.24Å; E8-K67 WeakPolarHBondContact OE1-CE 3.23Å; E8-K67 IonicContact OE1-NZ 3.19Å; E8-K67 PolarHBondContact OE1-NZ 3.07Å; E8-K67 IonicContact OE2-NZ 2.85Å; E8-K67 PolarHBondContact OE2-NZ 3.34Å; F26-K67 HydrophobicContact CD1-CD 4.27Å; F26-K67 HydrophobicContact CE1-CD 3.6Å; F26-K67 HydrophobicContact CE1-CG 4.19Å; F26-K67 VanDerWaalsContact CE2-NZ 3.32Å; F26-K67 HydrophobicContact CZ-CD 3.88Å; F26-K67 HydrophobicContact CZ-CG 4.42Å; F26-K67 VanDerWaalsContact CZ-NZ 3.28Å; F26-K67 PolarHBondContact O-NZ 3.32Å; V27-K67 HydrophobicContact CG1-CD 3.82Å; L50-K67 HydrophobicContact CD1-CG 4.42Å; L63-K67 HydrophobicContact CB-CB 4.21Å; P64-K67 HydrophobicContact CB-CG 4.49Å; P64-K67 WeakPolarHBondContact O-CA 3.38Å; P64-K67 WeakPolarHBondContact O-CB 3.39Å; P64-K67 PolarHBondContact O-N 3.22Å; A65-K67 VanDerWaalsContact C-N 3.3Å; A65-K67 PolarHBondContact O-N 3.12Å; K67-G70 PolarHBondContact O-N 2.86Å; K67-N71 VanDerWaalsContact O-CG 3.27Å; K67-N71 PolarHBondContact O-N 3.27Å
68Q97.7Very high87.2Confident0 Ų030.8 Ų30.80%022%0.223CC..Hα-helixtrans-67-43.1175.6-62.9-172.2-37.500111.7L63 P64 A65 G70 N71 V72 G91 A95L63-Q68 HydrophobicContact CB-CG 3.88Å; L63-Q68 VanDerWaalsContact O-CD 3.27Å; L63-Q68 WeakPolarHBondContact O-CG 3.45Å; L63-Q68 PolarHBondContact O-NE2 3.06Å; P64-Q68 PolarHBondContact O-N 2.8Å; A65-Q68 PolarHBondContact O-N 2.97Å; A65-Q68 VanDerWaalsContact O-N 3.13Å; Q68-G70 VanDerWaalsContact C-N 3.28Å; Q68-G70 PolarHBondContact O-N 3.47Å; Q68-N71 PolarHBondContact O-N 2.93Å; Q68-N71 VanDerWaalsContact O-N 3.1Å; Q68-V72 WeakPolarHBondContact O-CG2 3.43Å; Q68-V72 PolarHBondContact O-N 3.15Å; Q68-G91 PolarHBondContact NE2-O 2.68Å; Q68-A95 HydrophobicContact CB-CB 4.04Å; Q68-A95 VanDerWaalsContact OE1-CA 3.23Å
69I98.5Very high89.5Confident0 Ų027.3 Ų27.30%019%0.186CC..Hα-helixtrans-55.8-45.9173-65.2165.6000110.1I22 F36 A65 V72 A73 S82 V88I22-I69 HydrophobicContact CD1-CB 4.07Å; I22-I69 HydrophobicContact CD1-CG2 3.88Å; F36-I69 HydrophobicContact CB-CD1 3.97Å; A65-I69 VanDerWaalsContact O-CG1 3.32Å; A65-I69 WeakPolarHBondContact O-CG1 3.38Å; A65-I69 PolarHBondContact O-N 2.97Å; I69-V72 PolarHBondContact O-N 3.09Å; I69-A73 PolarHBondContact O-N 2.85Å; I69-S82 WeakPolarHBondContact CG2-OG 3.43Å; I69-S82 VanDerWaalsContact O-CB 3.3Å; I69-S82 WeakPolarHBondContact O-CB 3.43Å; I69-S82 PolarHBondContact O-OG 2.89Å; I69-V88 HydrophobicContact CD1-CG2 4.3Å
70G98.3Very high92.1Very high0 Ų023.8 Ų23.80%016%0.16CC..Hα-helixtrans-62.3-42.4175.100000113.4V27 M66 K67 Q68 V72 A73 A74V27-G70 WeakPolarHBondContact CG2-O 3.09Å; M66-G70 PolarHBondContact O-N 2.83Å; M66-G70 VanDerWaalsContact O-N 3.13Å; K67-G70 PolarHBondContact O-N 2.86Å; Q68-G70 VanDerWaalsContact C-N 3.28Å; Q68-G70 PolarHBondContact O-N 3.47Å; G70-V72 VanDerWaalsContact C-N 3.34Å; G70-V72 PolarHBondContact O-N 2.89Å; G70-A73 WeakPolarHBondContact O-CB 3.38Å; G70-A73 PolarHBondContact O-N 2.83Å; G70-A74 PolarHBondContact O-N 2.83Å
71N98.1Very high94.2Very high8 Ų823.5 Ų23.54%0.04313%0.133CC..Hα-helixtrans-66.8-36.4178.5-71.8-20.4000112.1L63 K67 Q68 A73 A74 N289 L293L63-N71 VanDerWaalsContact CD1-ND2 3.28Å; L63-N71 WeakPolarHBondContact CD1-ND2 3.31Å; K67-N71 VanDerWaalsContact O-CG 3.27Å; K67-N71 PolarHBondContact O-N 3.27Å; Q68-N71 PolarHBondContact O-N 2.93Å; Q68-N71 VanDerWaalsContact O-N 3.1Å; N71-A73 VanDerWaalsContact C-N 3.32Å; N71-A74 WeakPolarHBondContact O-CB 3.45Å; N71-A74 PolarHBondContact O-N 2.83Å; N71-A74 VanDerWaalsContact O-N 3.15Å; N71-N289 HydrophobicContact CB-CB 4.34Å; N71-N289 VanDerWaalsContact OD1-CB 3.23Å; N71-N289 WeakPolarHBondContact OD1-CB 3.34Å; N71-N289 PolarHBondContact OD1-ND2 3.14Å; N71-L293 HydrophobicContact CB-CD1 3.57Å
72V98.6Very high95.9Very high0 Ų020 Ų200%010%0.097CC..Hα-helixtrans-65-39.4172.1170.60000110.6Q68 I69 G70 A74 L75 I78 S82 F94 N98 A100 L293Q68-V72 WeakPolarHBondContact O-CG2 3.43Å; Q68-V72 PolarHBondContact O-N 3.15Å; I69-V72 PolarHBondContact O-N 3.09Å; G70-V72 VanDerWaalsContact C-N 3.34Å; G70-V72 PolarHBondContact O-N 2.89Å; V72-A74 PolarHBondContact O-N 3.13Å; V72-L75 HydrophobicContact CG1-CD1 4.37Å; V72-L75 WeakPolarHBondContact O-CB 3.28Å; V72-L75 PolarHBondContact O-N 3.34Å; V72-I78 HydrophobicContact CG1-CD1 4.08Å; V72-I78 WeakPolarHBondContact O-CD1 3.18Å; V72-S82 WeakPolarHBondContact CB-OG 3.48Å; V72-S82 WeakPolarHBondContact CG1-OG 3.4Å; V72-F94 HydrophobicContact CB-CD1 4.39Å; V72-F94 HydrophobicContact CB-CE1 4.22Å; V72-F94 HydrophobicContact CB-CZ 4.37Å; V72-F94 HydrophobicContact CG1-CD1 3.94Å; V72-F94 HydrophobicContact CG1-CE1 3.4Å; V72-F94 HydrophobicContact CG1-CE2 4.47Å; V72-F94 HydrophobicContact CG1-CZ 3.7Å; V72-F94 HydrophobicContact CG2-CB 4.21Å; V72-F94 HydrophobicContact CG2-CD1 3.53Å; V72-F94 HydrophobicContact CG2-CD2 3.61Å; V72-F94 HydrophobicContact CG2-CE1 3.71Å; V72-F94 HydrophobicContact CG2-CE2 3.77Å; V72-F94 HydrophobicContact CG2-CG 3.47Å; V72-F94 VanDerWaalsContact CG2-CG 3.47Å; V72-F94 HydrophobicContact CG2-CZ 3.81Å; V72-N98 WeakPolarHBondContact CG2-OD1 3.32Å; V72-A100 HydrophobicContact CG1-CB 3.58Å; V72-L293 HydrophobicContact CG2-CD2 4.01Å
73A98.6Very high97Very high0 Ų015 Ų150%08%0.075CC..THydrogen-bonded Turntrans-62.4-12.8173.600000114.3M30 Q31 V32 I69 G70 N71M30-A73 HydrophobicContact CE-CB 3.92Å; M30-A73 HydrophobicContact CG-CB 4.39Å; Q31-A73 PolarHBondContact N-O 2.84Å; V32-A73 HydrophobicContact CG2-CB 3.87Å; V32-A73 PolarHBondContact N-O 2.91Å; I69-A73 PolarHBondContact O-N 2.85Å; G70-A73 WeakPolarHBondContact O-CB 3.38Å; G70-A73 PolarHBondContact O-N 2.83Å; N71-A73 VanDerWaalsContact C-N 3.32Å
74A98.3Very high97.4Very high12 Ų1211.9 Ų11.910%0.0996%0.059CC..THydrogen-bonded Turntrans-93.7-4.3175.100000113.9N29 G70 N71 V72N29-A74 HydrophobicContact CB-CB 4.24Å; N29-A74 VanDerWaalsContact O-CA 3.29Å; N29-A74 WeakPolarHBondContact O-CA 3.47Å; N29-A74 VanDerWaalsContact O-CB 3.31Å; N29-A74 WeakPolarHBondContact O-CB 3.39Å; G70-A74 PolarHBondContact O-N 2.83Å; N71-A74 WeakPolarHBondContact O-CB 3.45Å; N71-A74 PolarHBondContact O-N 2.83Å; N71-A74 VanDerWaalsContact O-N 3.15Å; V72-A74 PolarHBondContact O-N 3.13Å
75L98.2Very high97.6Very high1 Ų111.4 Ų11.41%0.0056%0.056CC..SBendtrans-69.7142.3-177.9-71.4173.8000112.1V72 G77 I78 F94 F102 V110 V288 L293V72-L75 HydrophobicContact CG1-CD1 4.37Å; V72-L75 WeakPolarHBondContact O-CB 3.28Å; V72-L75 PolarHBondContact O-N 3.34Å; L75-G77 PolarHBondContact O-N 3.33Å; L75-I78 VanDerWaalsContact O-CG2 3.23Å; L75-I78 WeakPolarHBondContact O-CG2 3.3Å; L75-I78 PolarHBondContact O-N 3.44Å; L75-F94 HydrophobicContact CD1-CE2 3.63Å; L75-F94 HydrophobicContact CD1-CZ 3.59Å; L75-F102 HydrophobicContact CB-CE1 3.66Å; L75-F102 HydrophobicContact CB-CZ 3.91Å; L75-F102 HydrophobicContact CD1-CE1 4.33Å; L75-F102 HydrophobicContact CD1-CZ 3.76Å; L75-V110 HydrophobicContact CB-CG2 4.2Å; L75-V288 HydrophobicContact CD2-CG1 3.8Å; L75-L293 HydrophobicContact CD1-CD2 4.44Å; L75-L293 HydrophobicContact CD2-CB 4.34Å; L75-L293 HydrophobicContact CD2-CD1 4.47Å
76P96.9Very high97.8Very high18 Ų1811.4 Ų11.412%0.1176%0.056CC..THydrogen-bonded Turntrans-61.7133.8178.8-23.935.3000113.5I78 F102 N108 V110 I286P76-I78 VanDerWaalsContact C-N 3.26Å; P76-I78 PolarHBondContact O-N 2.94Å; P76-F102 WeakPolarHBondContact O-CD1 3.14Å; P76-N108 HydrophobicContact CB-CB 4.35Å; P76-N108 VanDerWaalsContact CB-O 3.31Å; P76-N108 WeakPolarHBondContact CB-O 3.36Å; P76-V110 HydrophobicContact CB-CG1 4.25Å; P76-V110 HydrophobicContact CG-CG1 4.41Å; P76-I286 HydrophobicContact CG-CG2 4.34Å
77G95.8Very high97.8Very high6 Ų611.4 Ų11.46%0.0626%0.056CC..THydrogen-bonded Turntrans71.413.9176.700000115.1L75 F102 D103 D106L75-G77 PolarHBondContact O-N 3.33Å; G77-F102 WeakPolarHBondContact O-CA 3.31Å; G77-D103 PolarHBondContact O-N 3.4Å; G77-D106 WeakPolarHBondContact CA-OD2 3.11Å
78I98.3Very high97.8Very high11 Ų1110.2 Ų10.26%0.0565%0.051CC..EExtended strand (participates in β ladder)trans-64139.4169.7-169.3173.9000110.2Q31 V32 V72 L75 P76 A100 A101 F102Q31-I78 HydrophobicContact CB-CG2 4.04Å; V32-I78 HydrophobicContact CB-CG2 4.42Å; V32-I78 HydrophobicContact CG1-CG2 4.04Å; V32-I78 HydrophobicContact CG2-CD1 3.88Å; V32-I78 HydrophobicContact CG2-CG1 4.15Å; V32-I78 HydrophobicContact CG2-CG2 3.62Å; V72-I78 HydrophobicContact CG1-CD1 4.08Å; V72-I78 WeakPolarHBondContact O-CD1 3.18Å; L75-I78 VanDerWaalsContact O-CG2 3.23Å; L75-I78 WeakPolarHBondContact O-CG2 3.3Å; L75-I78 PolarHBondContact O-N 3.44Å; P76-I78 VanDerWaalsContact C-N 3.26Å; P76-I78 PolarHBondContact O-N 2.94Å; I78-A100 HydrophobicContact CD1-CB 3.81Å; I78-A100 HydrophobicContact CG1-CB 4.33Å; I78-A101 WeakPolarHBondContact CA-O 3.31Å; I78-F102 HydrophobicContact CB-CD1 4.09Å; I78-F102 HydrophobicContact CB-CE1 3.68Å; I78-F102 HydrophobicContact CB-CZ 4.22Å; I78-F102 HydrophobicContact CG1-CE1 4.27Å; I78-F102 HydrophobicContact CG1-CZ 4.34Å
79V97.3Very high97.7Very high10 Ų1011.4 Ų11.46%0.0616%0.056CC..EExtended strand (participates in β ladder)trans-109.1137.9-175.1179.60000110.8R81 A101 D103 V363 L370 F423V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 3.2Å; V79-A101 PolarHBondContact N-O 3.49Å; V79-D103 HydrophobicContact CG2-CB 3.7Å; V79-V363 HydrophobicContact CG1-CB 4.36Å; V79-V363 HydrophobicContact CG1-CG1 3.69Å; V79-V363 HydrophobicContact CG1-CG2 3.94Å; V79-L370 HydrophobicContact CB-CD2 4.37Å; V79-L370 HydrophobicContact CG1-CD1 4.47Å; V79-L370 HydrophobicContact CG1-CD2 4.36Å; V79-L370 HydrophobicContact CG2-CD2 3.95Å; V79-F423 HydrophobicContact CG1-CZ 4.45Å
80H95.8Very high97.5Very high69 Ų6912.6 Ų12.632%0.3197%0.065SC..EExtended strand (participates in β ladder)trans62-73.2174.1-167.4-114.3000114.7V32 F423V32-H80 WeakPolarHBondContact CB-O 3.4Å; H80-F423 HydrophobicContact CB-CE2 4.27Å; H80-F423 HydrophobicContact CB-CZ 3.74Å
81R97.1Very high97.2Very high77 Ų7712.8 Ų12.829%0.2917%0.066SC..EExtended strand (participates in β ladder)trans-154.1153-172.5-59.6177.7-168-162.72.3112.4E33 V79 I83E33-R81 WeakPolarHBondContact O-CA 3.5Å; V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 3.2Å; R81-I83 HydrophobicContact CB-CD1 4.31Å; R81-I83 HydrophobicContact CB-CG1 4Å
82S98.5Very high97Very high0 Ų015.2 Ų15.20%08%0.075CC..EExtended strand (participates in β ladder)trans-92.5126.3160.2176.10000109.2E33 G34 V35 I69 V72 N98E33-S82 PolarHBondContact O-N 2.89Å; E33-S82 VanDerWaalsContact O-N 3.16Å; G34-S82 CarbonylContact C-O 3.37Å; G34-S82 VanDerWaalsContact CA-O 3.28Å; G34-S82 WeakPolarHBondContact CA-O 3.42Å; V35-S82 PolarHBondContact N-O 2.81Å; I69-S82 WeakPolarHBondContact CG2-OG 3.43Å; I69-S82 VanDerWaalsContact O-CB 3.3Å; I69-S82 WeakPolarHBondContact O-CB 3.43Å; I69-S82 PolarHBondContact O-OG 2.89Å; V72-S82 WeakPolarHBondContact CB-OG 3.48Å; V72-S82 WeakPolarHBondContact CG1-OG 3.4Å; S82-N98 PolarHBondContact OG-ND2 3.45Å
83I98.8Very high96.8Very high1 Ų115.2 Ų15.21%0.0058%0.075CC..EExtended strand (participates in β ladder)trans-120.6121.5-166-65.3164.3000111.1V35 Y37 R81 N98 M99 E421 T422V35-I83 CarbonylContact O-C 3.47Å; V35-I83 WeakPolarHBondContact O-CA 3.48Å; Y37-I83 HydrophobicContact CD2-CG2 4.24Å; Y37-I83 HydrophobicContact CE2-CG2 3.84Å; R81-I83 HydrophobicContact CB-CD1 4.31Å; R81-I83 HydrophobicContact CB-CG1 4Å; I83-N98 PolarHBondContact N-ND2 2.9Å; I83-N98 CarbonylContact O-C 3.54Å; I83-N98 VanDerWaalsContact O-CA 3.26Å; I83-N98 WeakPolarHBondContact O-CA 3.25Å; I83-N98 PolarHBondContact O-ND2 3.18Å; I83-M99 HydrophobicContact CB-CE 4.03Å; I83-M99 HydrophobicContact CD1-CE 3.46Å; I83-M99 VanDerWaalsContact CD1-CE 3.46Å; I83-M99 HydrophobicContact CG1-CE 4.29Å; I83-M99 HydrophobicContact CG2-CE 4.41Å; I83-M99 PolarHBondContact N-O 2.85Å; I83-M99 PolarHBondContact O-N 2.83Å; I83-E421 WeakPolarHBondContact CD1-O 3.34Å; I83-T422 HydrophobicContact CD1-CG2 4.45Å; I83-T422 HydrophobicContact CG2-CG2 4.18Å
84G98.5Very high96.7Very high0 Ų015.2 Ų15.20%08%0.075CC..EExtended strand (participates in β ladder)trans-98.4121.8168.800000111.8V35 F36 Y37V35-G84 PolarHBondContact O-N 2.94Å; F36-G84 CarbonylContact C-O 3.42Å; F36-G84 WeakPolarHBondContact CA-O 3.24Å; Y37-G84 PolarHBondContact N-O 3.05Å
85L98.5Very high96.7Very high0 Ų014.7 Ų14.70%07%0.071CC..EExtended strand (participates in β ladder)trans-81.9170177-69.8157.7000111.3D87 V88 G97 T425 T426 I490L85-D87 WeakPolarHBondContact CB-OD1 3.38Å; L85-D87 PolarHBondContact O-N 3.39Å; L85-D87 VanDerWaalsContact O-N 3.11Å; L85-V88 WeakPolarHBondContact O-CA 3.5Å; L85-V88 WeakPolarHBondContact O-CB 3.36Å; L85-V88 WeakPolarHBondContact O-CG1 3.4Å; L85-V88 PolarHBondContact O-N 3.39Å; L85-G97 WeakPolarHBondContact CB-O 3.25Å; L85-G97 PolarHBondContact N-O 2.8Å; L85-T425 HydrophobicContact CD1-CG2 3.93Å; L85-T426 WeakPolarHBondContact CD1-O 3.42Å; L85-I490 HydrophobicContact CD2-CD1 3.58Å
86P98Very high96.6Very high0 Ų017 Ų170%08%0.082CC..EExtended strand (participates in β ladder)trans-64.1-22.9-170.1-22.834.7000115.4Y37 L42 V88 K476 V481 T484 C485Y37-P86 WeakPolarHBondContact O-CA 3.46Å; L42-P86 HydrophobicContact CD1-CB 3.71Å; P86-V88 PolarHBondContact O-N 2.88Å; P86-K476 PolarHBondContact O-NZ 3.07Å; P86-V481 HydrophobicContact CB-CB 4.37Å; P86-V481 HydrophobicContact CB-CG1 4.05Å; P86-V481 HydrophobicContact CB-CG2 4.5Å; P86-T484 HydrophobicContact CB-CG2 3.89Å; P86-T484 HydrophobicContact CG-CG2 3.48Å; P86-T484 VanDerWaalsContact CG-CG2 3.48Å; P86-C485 VanDerWaalsContact CD-SG 3.53Å; P86-C485 VanDerWaalsContact CG-SG 3.59Å
87D97.3Very high96.7Very high0 Ų016.1 Ų16.10%08%0.077CC..EExtended strand (participates in β ladder)trans-80.53.2172.154.6-1.2000113.7L85 H89 C427 H428 G429 K476 V481L85-D87 WeakPolarHBondContact CB-OD1 3.38Å; L85-D87 PolarHBondContact O-N 3.39Å; L85-D87 VanDerWaalsContact O-N 3.11Å; D87-H89 PolarHBondContact O-N 3.06Å; D87-H89 PolarHBondContact O-ND1 3.15Å; D87-C427 WeakPolarHBondContact OD2-CB 3.38Å; D87-H428 IonicContact OD2-CE1 2.83Å; D87-H428 PolarHBondContact OD2-CE1 2.93Å; D87-H428 IonicContact OD2-CG 3.72Å; D87-H428 PolarHBondContact OD2-N 3.06Å; D87-H428 IonicContact OD2-ND1 2.7Å; D87-H428 PolarHBondContact OD2-ND1 2.78Å; D87-G429 VanDerWaalsContact CB-O 3.25Å; D87-G429 WeakPolarHBondContact CB-O 3.43Å; D87-G429 PolarHBondContact OD2-N 3.44Å; D87-K476 PolarHBondContact O-NZ 3.03Å; D87-V481 HydrophobicContact CB-CG1 3.95Å; D87-V481 HydrophobicContact CB-CG2 4.24Å
88V97.2Very high96.8Very high1 Ų115.8 Ų15.81%0.0067%0.074CC..EExtended strand (participates in β ladder)trans-59.4132.2-17372.40000113.9M46 A65 I69 L85 P86 A95 I96 K476M46-V88 HydrophobicContact CE-CG1 3.54Å; M46-V88 HydrophobicContact SD-CG1 3.67Å; A65-V88 HydrophobicContact CB-CG2 4.12Å; I69-V88 HydrophobicContact CD1-CG2 4.3Å; L85-V88 WeakPolarHBondContact O-CA 3.5Å; L85-V88 WeakPolarHBondContact O-CB 3.36Å; L85-V88 WeakPolarHBondContact O-CG1 3.4Å; L85-V88 PolarHBondContact O-N 3.39Å; P86-V88 PolarHBondContact O-N 2.88Å; V88-A95 HydrophobicContact CG2-CB 3.62Å; V88-I96 CarbonylContact C-O 3.49Å; V88-I96 WeakPolarHBondContact CA-O 3.41Å; V88-I96 WeakPolarHBondContact CG2-O 3.47Å; V88-K476 PolarHBondContact O-NZ 3.38Å
89H95.3Very high96.8Very high26 Ų2615.3 Ų15.312%0.127%0.071CC..EExtended strand (participates in β ladder)trans-154.9161.6177.157.9-76.8000110.8D87 G91 A95 I96 R432D87-H89 PolarHBondContact O-N 3.06Å; D87-H89 PolarHBondContact O-ND1 3.15Å; H89-G91 PolarHBondContact O-N 2.79Å; H89-A95 CarbonylContact O-C 3.55Å; H89-A95 WeakPolarHBondContact O-CA 3.36Å; H89-A95 WeakPolarHBondContact O-CB 3.4Å; H89-I96 WeakPolarHBondContact CE1-CG2 3.3Å; H89-I96 PolarHBondContact N-O 3.47Å; H89-I96 WeakPolarHBondContact NE2-CD1 3.43Å; H89-I96 PolarHBondContact O-N 3.2Å; H89-R432 PolarHBondContact CE1-N 3.3Å
90S93.8Very high96.8Very high25 Ų2514.8 Ų14.818%0.1757%0.068CC..  trans-47.3129.9-178.9-75.70000113.8E49 L63E49-S90 WeakPolarHBondContact OE1-CB 3.48Å; E49-S90 PolarHBondContact OE1-OG 3.48Å; L63-S90 PolarHBondContact O-OG 2.82Å
91G93.5Very high97Very high3 Ų311.5 Ų11.53%0.0315%0.053CC..  trans-139.6-172.8179.400000113.4F62 Q68 H89 G93 F94F62-G91 WeakPolarHBondContact CD1-O 3.35Å; F62-G91 WeakPolarHBondContact CE1-O 3.36Å; F62-G91 WeakPolarHBondContact CG-O 3.16Å; Q68-G91 PolarHBondContact NE2-O 2.68Å; H89-G91 PolarHBondContact O-N 2.79Å; G91-G93 PolarHBondContact O-N 2.89Å; G91-F94 CarbonylContact C-O 3.52Å; G91-F94 WeakPolarHBondContact CA-O 3.21Å
92Y93.5Very high97.1Very high60 Ų607.9 Ų7.924%0.2354%0.039CC..SBendtrans-80.1107.4175.8-172.4-86.7000111.8F62 F94 F118 L274 Q292 K375F62-Y92 HydrophobicContact CE1-CD2 4.11Å; Y92-F94 VanDerWaalsContact C-N 3.29Å; Y92-F94 PolarHBondContact O-N 2.9Å; Y92-F118 AromaticContact CD1-CE2 4Å; Y92-F118 HydrophobicContact CD1-CE2 4Å; Y92-F118 HydrophobicContact CD1-CZ 4.49Å; Y92-F118 HydrophobicContact CD2-CE2 4.32Å; Y92-F118 HydrophobicContact CE1-CE2 4.48Å; Y92-F118 AromaticContact CG-CE2 3.91Å; Y92-F118 HydrophobicContact CG-CE2 3.91Å; Y92-L274 HydrophobicContact CE1-CD1 3.84Å; Y92-L274 HydrophobicContact CE1-CD2 4.03Å; Y92-Q292 HydrophobicContact CD1-CB 3.94Å; Y92-Q292 HydrophobicContact CD2-CB 4.25Å; Y92-Q292 HydrophobicContact CD2-CG 3.94Å; Y92-Q292 HydrophobicContact CE1-CB 3.76Å; Y92-Q292 HydrophobicContact CE1-CG 4.23Å; Y92-Q292 WeakPolarHBondContact CE1-O 3.11Å; Y92-Q292 HydrophobicContact CE2-CB 4.09Å; Y92-Q292 HydrophobicContact CE2-CG 3.63Å; Y92-Q292 HydrophobicContact CG-CB 4.18Å; Y92-Q292 HydrophobicContact CG-CG 4.38Å; Y92-K375 PolarHBondContact O-NZ 3.23Å
93G93.7Very high97Very high0 Ų08.7 Ų8.70%04%0.044CC..SBendtrans72.4-77.4-176.800000112.3G91 Q292 L293G91-G93 PolarHBondContact O-N 2.89Å; G93-Q292 VanDerWaalsContact N-CB 3.34Å; G93-Q292 VanDerWaalsContact N-OE1 3.08Å; G93-L293 VanDerWaalsContact C-CD2 3.43Å
94F97.6Very high96.9Very high0 Ų011 Ų110%06%0.055CC..SBendtrans-78.5143.3167.5-73.5-127000109.5V72 L75 G91 Y92 A100 F102 G114 L293 H373 K375V72-F94 HydrophobicContact CB-CD1 4.39Å; V72-F94 HydrophobicContact CB-CE1 4.22Å; V72-F94 HydrophobicContact CB-CZ 4.37Å; V72-F94 HydrophobicContact CG1-CD1 3.94Å; V72-F94 HydrophobicContact CG1-CE1 3.4Å; V72-F94 HydrophobicContact CG1-CE2 4.47Å; V72-F94 HydrophobicContact CG1-CZ 3.7Å; V72-F94 HydrophobicContact CG2-CB 4.21Å; V72-F94 HydrophobicContact CG2-CD1 3.53Å; V72-F94 HydrophobicContact CG2-CD2 3.61Å; V72-F94 HydrophobicContact CG2-CE1 3.71Å; V72-F94 HydrophobicContact CG2-CE2 3.77Å; V72-F94 HydrophobicContact CG2-CG 3.47Å; V72-F94 VanDerWaalsContact CG2-CG 3.47Å; V72-F94 HydrophobicContact CG2-CZ 3.81Å; L75-F94 HydrophobicContact CD1-CE2 3.63Å; L75-F94 HydrophobicContact CD1-CZ 3.59Å; G91-F94 CarbonylContact C-O 3.52Å; G91-F94 WeakPolarHBondContact CA-O 3.21Å; Y92-F94 VanDerWaalsContact C-N 3.29Å; Y92-F94 PolarHBondContact O-N 2.9Å; F94-A100 HydrophobicContact CE1-CB 3.92Å; F94-F102 HydrophobicContact CZ-CE2 4.44Å; F94-F102 HydrophobicContact CZ-CZ 4.44Å; F94-G114 WeakPolarHBondContact CB-O 3.39Å; F94-L293 HydrophobicContact CD2-CD2 3.46Å; F94-L293 VanDerWaalsContact CD2-CD2 3.46Å; F94-L293 HydrophobicContact CE2-CD2 3.66Å; F94-H373 HydrophobicContact CE1-CB 4.46Å; F94-K375 HydrophobicContact CB-CD 4.01Å; F94-K375 PolarHBondContact O-NZ 3.43Å
95A97.3Very high96.8Very high0 Ų017 Ų170%09%0.087CC..PPolyproline II helixtrans-62.8149.9165.400000110.2A65 Q68 V88 H89 N98A65-A95 HydrophobicContact CB-CB 4.25Å; Q68-A95 HydrophobicContact CB-CB 4.04Å; Q68-A95 VanDerWaalsContact OE1-CA 3.23Å; V88-A95 HydrophobicContact CG2-CB 3.62Å; H89-A95 CarbonylContact O-C 3.55Å; H89-A95 WeakPolarHBondContact O-CA 3.36Å; H89-A95 WeakPolarHBondContact O-CB 3.4Å; A95-N98 HydrophobicContact CB-CB 4.09Å; A95-N98 WeakPolarHBondContact O-CB 3.39Å; A95-N98 PolarHBondContact O-N 3.4Å
96I97.2Very high96.7Very high49 Ų4919.4 Ų19.425%0.25110%0.1SC..EExtended strand (participates in β ladder)trans-73.5137.3165.6-61.1170000106.2V88 H89 K375V88-I96 CarbonylContact C-O 3.49Å; V88-I96 WeakPolarHBondContact CA-O 3.41Å; V88-I96 WeakPolarHBondContact CG2-O 3.47Å; H89-I96 WeakPolarHBondContact CE1-CG2 3.3Å; H89-I96 PolarHBondContact N-O 3.47Å; H89-I96 WeakPolarHBondContact NE2-CD1 3.43Å; H89-I96 PolarHBondContact O-N 3.2Å; I96-K375 HydrophobicContact CG1-CG 4.5Å
97G97.5Very high96.6Very high0 Ų023.6 Ų23.60%013%0.127CC..EExtended strand (participates in β ladder)trans87.83.9-166.900000113.7L85 K375 G376L85-G97 WeakPolarHBondContact CB-O 3.25Å; L85-G97 PolarHBondContact N-O 2.8Å; G97-K375 WeakPolarHBondContact CA-O 3.16Å; G97-K375 PolarHBondContact N-O 3.43Å; G97-G376 VanDerWaalsContact CA-O 3.23Å; G97-G376 WeakPolarHBondContact CA-O 3.35Å; G97-G376 PolarHBondContact N-O 3.39Å
98N98.2Very high96.6Very high0 Ų027.1 Ų27.10%015%0.146CC..EExtended strand (participates in β ladder)trans-98.8136.2179.9-168.4-167.4000110.9V72 S82 I83 A95 K375V72-N98 WeakPolarHBondContact CG2-OD1 3.32Å; S82-N98 PolarHBondContact OG-ND2 3.45Å; I83-N98 PolarHBondContact N-ND2 2.9Å; I83-N98 CarbonylContact O-C 3.54Å; I83-N98 VanDerWaalsContact O-CA 3.26Å; I83-N98 WeakPolarHBondContact O-CA 3.25Å; I83-N98 PolarHBondContact O-ND2 3.18Å; A95-N98 HydrophobicContact CB-CB 4.09Å; A95-N98 WeakPolarHBondContact O-CB 3.39Å; A95-N98 PolarHBondContact O-N 3.4Å; N98-K375 PolarHBondContact N-O 2.89Å; N98-K375 PolarHBondContact O-N 3.1Å
99M98Very high96.6Very high0 Ų027.1 Ų27.10%015%0.146CC..EExtended strand (participates in β ladder)trans-123.3141.6170.9177.2-79.9-6500110.3I83 V372 H373 R374 T422 F423 T425I83-M99 HydrophobicContact CB-CE 4.03Å; I83-M99 HydrophobicContact CD1-CE 3.46Å; I83-M99 VanDerWaalsContact CD1-CE 3.46Å; I83-M99 HydrophobicContact CG1-CE 4.29Å; I83-M99 HydrophobicContact CG2-CE 4.41Å; I83-M99 PolarHBondContact N-O 2.85Å; I83-M99 PolarHBondContact O-N 2.83Å; M99-V372 HydrophobicContact CG-CG1 3.86Å; M99-V372 HydrophobicContact SD-CG1 3.97Å; M99-H373 VanDerWaalsContact CA-O 3.26Å; M99-H373 WeakPolarHBondContact CA-O 3.4Å; M99-H373 WeakPolarHBondContact CG-O 3.29Å; M99-R374 HydrophobicContact CG-CG 4.09Å; M99-T422 VanDerWaalsContact CE-C 3.49Å; M99-T422 WeakPolarHBondContact CE-O 3.13Å; M99-F423 HydrophobicContact CE-CB 4.21Å; M99-F423 HydrophobicContact CE-CD2 3.79Å; M99-F423 HydrophobicContact CE-CG 4.49Å; M99-F423 HydrophobicContact SD-CB 4.32Å; M99-F423 HydrophobicContact SD-CD2 3.74Å; M99-F423 HydrophobicContact SD-CG 4.49Å; M99-T425 HydrophobicContact CB-CG2 3.99Å; M99-T425 HydrophobicContact CG-CG2 3.92Å
100A98.6Very high96.8Very high0 Ų026 Ų260%014%0.141CC..EExtended strand (participates in β ladder)trans-145.8143.5172.300000110.7V72 I78 F94 F102 H373V72-A100 HydrophobicContact CG1-CB 3.58Å; I78-A100 HydrophobicContact CD1-CB 3.81Å; I78-A100 HydrophobicContact CG1-CB 4.33Å; F94-A100 HydrophobicContact CE1-CB 3.92Å; A100-F102 HydrophobicContact CB-CE2 3.88Å; A100-F102 HydrophobicContact CB-CZ 4.29Å; A100-H373 PolarHBondContact N-O 2.98Å; A100-H373 VanDerWaalsContact N-O 3.14Å; A100-H373 PolarHBondContact O-N 3.01Å
101A98.6Very high97Very high0 Ų024.8 Ų24.80%013%0.133CC..EExtended strand (participates in β ladder)trans-112.9141.6178.100000110.8I78 V79 L370 V372 F423I78-A101 WeakPolarHBondContact CA-O 3.31Å; V79-A101 PolarHBondContact N-O 3.49Å; A101-L370 HydrophobicContact CB-CB 4.18Å; A101-L370 HydrophobicContact CB-CD1 3.81Å; A101-V372 HydrophobicContact CB-CG2 4.16Å; A101-F423 HydrophobicContact CB-CD2 3.9Å; A101-F423 HydrophobicContact CB-CE1 4.44Å; A101-F423 HydrophobicContact CB-CE2 3.77Å; A101-F423 HydrophobicContact CB-CG 4.3Å; A101-F423 HydrophobicContact CB-CZ 4.04Å
102F98.7Very high97.3Very high1 Ų124.7 Ų24.70%0.00413%0.131CC..EExtended strand (participates in β ladder)trans-125.7137.4-179.3-64.1-93.4000110.5L75 P76 G77 I78 F94 A100 M104 A109 V110 I298 L370 L371 H373L75-F102 HydrophobicContact CB-CE1 3.66Å; L75-F102 HydrophobicContact CB-CZ 3.91Å; L75-F102 HydrophobicContact CD1-CE1 4.33Å; L75-F102 HydrophobicContact CD1-CZ 3.76Å; P76-F102 WeakPolarHBondContact O-CD1 3.14Å; G77-F102 WeakPolarHBondContact O-CA 3.31Å; I78-F102 HydrophobicContact CB-CD1 4.09Å; I78-F102 HydrophobicContact CB-CE1 3.68Å; I78-F102 HydrophobicContact CB-CZ 4.22Å; I78-F102 HydrophobicContact CG1-CE1 4.27Å; I78-F102 HydrophobicContact CG1-CZ 4.34Å; F94-F102 HydrophobicContact CZ-CE2 4.44Å; F94-F102 HydrophobicContact CZ-CZ 4.44Å; A100-F102 HydrophobicContact CB-CE2 3.88Å; A100-F102 HydrophobicContact CB-CZ 4.29Å; F102-M104 PolarHBondContact O-N 3.45Å; F102-A109 HydrophobicContact CB-CB 4.1Å; F102-V110 HydrophobicContact CD1-CG2 3.97Å; F102-V110 HydrophobicContact CE1-CG2 3.62Å; F102-V110 WeakPolarHBondContact CG-O 3.13Å; F102-V110 HydrophobicContact CZ-CG2 4.18Å; F102-I298 HydrophobicContact CB-CD1 4.1Å; F102-L370 CarbonylContact O-C 3.55Å; F102-L370 VanDerWaalsContact O-CA 3.25Å; F102-L370 WeakPolarHBondContact O-CA 3.29Å; F102-L371 PolarHBondContact N-O 2.78Å; F102-L371 PolarHBondContact O-N 3.24Å; F102-H373 AromaticContact CD2-CE1 3.82Å; F102-H373 AromaticContact CD2-ND1 3.54Å; F102-H373 AromaticContact CE2-ND1 3.75Å
103D97.4Very high97.5Very high17 Ų1721.9 Ų21.99%0.09112%0.121CC..EExtended strand (participates in β ladder)trans-73.7118.9-175.5-162.1-35.8000111.2G77 V79 N105 D106 A109 R368 L370G77-D103 PolarHBondContact O-N 3.4Å; V79-D103 HydrophobicContact CG2-CB 3.7Å; D103-N105 PolarHBondContact O-N 3.13Å; D103-N105 VanDerWaalsContact O-N 3.14Å; D103-N105 WeakPolarHBondContact OD1-CB 3.27Å; D103-N105 PolarHBondContact OD1-N 3.3Å; D103-D106 HydrophobicContact CB-CB 3.99Å; D103-D106 PolarHBondContact O-N 3.07Å; D103-D106 VanDerWaalsContact O-N 3.1Å; D103-A109 WeakPolarHBondContact O-CB 3.33Å; D103-R368 WeakPolarHBondContact OD2-CD 3.36Å; D103-R368 IonicContact OD2-CZ 3.88Å; D103-R368 IonicContact OD2-NH1 3.85Å; D103-R368 PolarHBondContact OD2-NH1 3.27Å; D103-L370 HydrophobicContact CB-CD2 4.29Å
104M97.4Very high97.6Very high49 Ų4922 Ų2224%0.24112%0.121CC..THydrogen-bonded Turntrans-62.6-21.8179.6-70.5-66.3-63.900112.9F102 I298 V358 T369 L371F102-M104 PolarHBondContact O-N 3.45Å; M104-I298 HydrophobicContact CE-CG2 3.73Å; M104-I298 HydrophobicContact SD-CD1 3.96Å; M104-I298 HydrophobicContact SD-CG2 3.74Å; M104-V358 HydrophobicContact CE-CG2 4.2Å; M104-V358 HydrophobicContact CG-CG1 4.23Å; M104-V358 HydrophobicContact SD-CG2 4.14Å; M104-T369 HydrophobicContact CB-CG2 4.29Å; M104-T369 WeakPolarHBondContact CB-O 3.43Å; M104-T369 HydrophobicContact CG-CG2 4.02Å; M104-T369 WeakPolarHBondContact CG-O 3.23Å; M104-T369 PolarHBondContact N-O 3.07Å; M104-L371 HydrophobicContact SD-CB 3.76Å
105N95.4Very high97.6Very high127 Ų12722 Ų2268%0.67912%0.121SC*.THydrogen-bonded Turntrans-91.5-10.4179.5-61.5-51.6000113.2D103 P107D103-N105 PolarHBondContact O-N 3.13Å; D103-N105 VanDerWaalsContact O-N 3.14Å; D103-N105 WeakPolarHBondContact OD1-CB 3.27Å; D103-N105 PolarHBondContact OD1-N 3.3Å; N105-P107 WeakPolarHBondContact O-CD 3.07Å
106D96.9Very high97.6Very high49 Ų4922 Ų2226%0.26212%0.121SC..  trans-81.3116.9174.1-178.7-1.3000109.2G77 D103 N108 A109G77-D106 WeakPolarHBondContact CA-OD2 3.11Å; D103-D106 HydrophobicContact CB-CB 3.99Å; D103-D106 PolarHBondContact O-N 3.07Å; D103-D106 VanDerWaalsContact O-N 3.1Å; D106-N108 PolarHBondContact O-N 3.1Å; D106-N108 WeakPolarHBondContact OD1-CA 3.38Å; D106-N108 VanDerWaalsContact OD1-CB 3.26Å; D106-N108 WeakPolarHBondContact OD1-CB 3.42Å; D106-N108 PolarHBondContact OD1-N 3.46Å; D106-N108 PolarHBondContact OD1-ND2 3.37Å; D106-A109 HydrophobicContact CB-CB 4.08Å; D106-A109 VanDerWaalsContact O-CB 3.29Å; D106-A109 WeakPolarHBondContact O-CB 3.39Å; D106-A109 PolarHBondContact O-N 2.93Å
107P96.1Very high97.6Very high89 Ų8919.8 Ų19.858%0.57811%0.111SC*.THydrogen-bonded Turntrans-61.9-15.9177.227.6-36.5000113N105N105-P107 WeakPolarHBondContact O-CD 3.07Å
108N96.4Very high97.6Very high74 Ų7422.4 Ų22.440%0.39612%0.123SC..THydrogen-bonded Turntrans-89.8-12.5174.2-61.6-68.9000113.6P76 D106 V110 R297P76-N108 HydrophobicContact CB-CB 4.35Å; P76-N108 VanDerWaalsContact CB-O 3.31Å; P76-N108 WeakPolarHBondContact CB-O 3.36Å; D106-N108 PolarHBondContact O-N 3.1Å; D106-N108 WeakPolarHBondContact OD1-CA 3.38Å; D106-N108 VanDerWaalsContact OD1-CB 3.26Å; D106-N108 WeakPolarHBondContact OD1-CB 3.42Å; D106-N108 PolarHBondContact OD1-N 3.46Å; D106-N108 PolarHBondContact OD1-ND2 3.37Å; N108-V110 WeakPolarHBondContact O-CG1 3.23Å; N108-R297 VanDerWaalsContact C-NH1 3.32Å; N108-R297 VanDerWaalsContact CB-NH1 3.3Å; N108-R297 PolarHBondContact O-NH1 3Å; N108-R297 PolarHBondContact OD1-NH2 3Å
109A98.1Very high97.5Very high1 Ų124 Ų241%0.00813%0.131CC..  trans-60144179.500000111.8F102 D103 D106 R297 I298F102-A109 HydrophobicContact CB-CB 4.1Å; D103-A109 WeakPolarHBondContact O-CB 3.33Å; D106-A109 HydrophobicContact CB-CB 4.08Å; D106-A109 VanDerWaalsContact O-CB 3.29Å; D106-A109 WeakPolarHBondContact O-CB 3.39Å; D106-A109 PolarHBondContact O-N 2.93Å; A109-R297 CarbonylContact O-C 3.57Å; A109-R297 VanDerWaalsContact O-CA 3.31Å; A109-R297 WeakPolarHBondContact O-CA 3.36Å; A109-I298 HydrophobicContact CB-CD1 3.64Å; A109-I298 HydrophobicContact CB-CG1 4.31Å; A109-I298 PolarHBondContact O-N 2.99Å
110V98.6Very high97.6Very high1 Ų124 Ų241%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-118.8155.8-173.7-60.50000112.7L75 P76 F102 N108 I286 C295 A296L75-V110 HydrophobicContact CB-CG2 4.2Å; P76-V110 HydrophobicContact CB-CG1 4.25Å; P76-V110 HydrophobicContact CG-CG1 4.41Å; F102-V110 HydrophobicContact CD1-CG2 3.97Å; F102-V110 HydrophobicContact CE1-CG2 3.62Å; F102-V110 WeakPolarHBondContact CG-O 3.13Å; F102-V110 HydrophobicContact CZ-CG2 4.18Å; N108-V110 WeakPolarHBondContact O-CG1 3.23Å; V110-I286 HydrophobicContact CG1-CD1 4.39Å; V110-C295 HydrophobicContact CB-CB 4.04Å; V110-C295 HydrophobicContact CG2-CB 4.22Å; V110-A296 CarbonylContact C-O 3.53Å; V110-A296 WeakPolarHBondContact CA-O 3.31Å; V110-A296 WeakPolarHBondContact CB-O 3.34Å
111V98.8Very high97.6Very high0 Ų024 Ų240%013%0.131CC..EExtended strand (participates in β ladder)trans-113.7137.6164.259.20000109M277 C295 A296 I298 Y306 L307 L371V111-M277 HydrophobicContact CG1-CE 3.98Å; V111-C295 VanDerWaalsContact O-CA 3.23Å; V111-C295 WeakPolarHBondContact O-CA 3.18Å; V111-C295 WeakPolarHBondContact O-CB 3.19Å; V111-A296 PolarHBondContact N-O 3.34Å; V111-A296 PolarHBondContact O-N 2.96Å; V111-A296 VanDerWaalsContact O-N 3.1Å; V111-I298 HydrophobicContact CB-CG1 4.3Å; V111-Y306 HydrophobicContact CG1-CD1 4.38Å; V111-Y306 HydrophobicContact CG2-CD1 3.55Å; V111-Y306 HydrophobicContact CG2-CE1 3.63Å; V111-L307 HydrophobicContact CG2-CD2 3.79Å; V111-L307 HydrophobicContact CG2-CG 4.17Å; V111-L371 HydrophobicContact CB-CD2 3.77Å; V111-L371 HydrophobicContact CG2-CD2 3.92Å
112S98.4Very high97.5Very high1 Ų124.2 Ų24.21%0.00713%0.132CC..  trans-131.3122.3179.6-175.50000111.9G114 G115 V116 A294 H373S112-G114 PolarHBondContact O-N 2.82Å; S112-G114 PolarHBondContact OG-N 3.18Å; S112-G115 WeakPolarHBondContact O-CA 3.47Å; S112-G115 PolarHBondContact O-N 2.86Å; S112-V116 PolarHBondContact O-N 2.94Å; S112-A294 PolarHBondContact OG-O 3.42Å; S112-H373 PolarHBondContact N-NE2 2.81Å; S112-H373 PolarHBondContact O-CD2 3Å
113P97.8Very high97.5Very high2 Ų224.2 Ų24.21%0.01313%0.132CC..G310 helixtrans-58.4-30.8170.6-23.131.2000112.5G115 V116 G117 A270 A273 L274 M277 Y306P113-G115 PolarHBondContact O-N 2.8Å; P113-V116 PolarHBondContact O-N 3.21Å; P113-G117 PolarHBondContact O-N 2.7Å; P113-A270 HydrophobicContact CB-CB 4.49Å; P113-A273 HydrophobicContact CB-CB 4.47Å; P113-A273 HydrophobicContact CG-CB 3.65Å; P113-L274 HydrophobicContact CB-CD2 4.12Å; P113-L274 HydrophobicContact CB-CG 4.24Å; P113-L274 HydrophobicContact CG-CD2 4.31Å; P113-M277 WeakPolarHBondContact CD-SD 3.42Å; P113-M277 HydrophobicContact CG-CE 4.01Å; P113-M277 HydrophobicContact CG-SD 3.74Å; P113-Y306 WeakPolarHBondContact CA-OH 3.35Å; P113-Y306 HydrophobicContact CB-CE1 4.35Å; P113-Y306 HydrophobicContact CB-CE2 3.99Å; P113-Y306 HydrophobicContact CG-CD1 4.2Å; P113-Y306 HydrophobicContact CG-CD2 4.11Å; P113-Y306 HydrophobicContact CG-CE1 3.97Å; P113-Y306 HydrophobicContact CG-CE2 3.88Å; P113-Y306 HydrophobicContact CG-CG 4.26Å
114G96.4Very high97.6Very high1 Ų123.4 Ų23.41%0.0113%0.128CC..G310 helixtrans-62.3-27.6173.900000113.3F94 S112 K375F94-G114 WeakPolarHBondContact CB-O 3.39Å; S112-G114 PolarHBondContact O-N 2.82Å; S112-G114 PolarHBondContact OG-N 3.18Å; G114-K375 WeakPolarHBondContact O-CD 3.42Å; G114-K375 WeakPolarHBondContact O-CE 3.33Å; G114-K375 PolarHBondContact O-NZ 2.97Å
115G97.1Very high97.6Very high0 Ų021.1 Ų21.10%012%0.117CC..G310 helixtrans-88.3-6.8176.500000115.4S112 P113 K375S112-G115 WeakPolarHBondContact O-CA 3.47Å; S112-G115 PolarHBondContact O-N 2.86Å; P113-G115 PolarHBondContact O-N 2.8Å; G115-K375 WeakPolarHBondContact O-CB 3.48Å
116V98.2Very high97.8Very high0 Ų015.1 Ų15.10%09%0.085CC..THydrogen-bonded Turntrans-99.5-43.2170.1174.30000110.2S112 P113 I120 Y306 M310 N354 A356S112-V116 PolarHBondContact O-N 2.94Å; P113-V116 PolarHBondContact O-N 3.21Å; V116-I120 HydrophobicContact CG1-CG1 4.14Å; V116-I120 HydrophobicContact CG1-CG2 4.5Å; V116-Y306 WeakPolarHBondContact CB-OH 3.37Å; V116-Y306 HydrophobicContact CG2-CE1 4.48Å; V116-Y306 WeakPolarHBondContact CG2-OH 3.44Å; V116-M310 HydrophobicContact CG1-CG 4.4Å; V116-M310 HydrophobicContact CG1-SD 4.09Å; V116-M310 HydrophobicContact CG2-SD 3.78Å; V116-N354 WeakPolarHBondContact O-CA 3.3Å; V116-N354 WeakPolarHBondContact O-CB 3.43Å; V116-N354 PolarHBondContact O-OD1 2.63Å; V116-A356 HydrophobicContact CG2-CB 3.66Å
117G96.4Very high97.9Very high3 Ų312.8 Ų12.83%0.0317%0.072CC..  trans102.4164.1-172.300000112.6P113P113-G117 PolarHBondContact O-N 2.7Å
118F97Very high98Very high56 Ų5610.6 Ų10.625%0.2465%0.053CC..SBendtrans-74.7-41.4-177.5-77-98.2000112.2Y92 I120 G266 H267 A270 L274Y92-F118 AromaticContact CD1-CE2 4Å; Y92-F118 HydrophobicContact CD1-CE2 4Å; Y92-F118 HydrophobicContact CD1-CZ 4.49Å; Y92-F118 HydrophobicContact CD2-CE2 4.32Å; Y92-F118 HydrophobicContact CE1-CE2 4.48Å; Y92-F118 AromaticContact CG-CE2 3.91Å; Y92-F118 HydrophobicContact CG-CE2 3.91Å; F118-I120 VanDerWaalsContact C-N 3.28Å; F118-I120 PolarHBondContact O-N 3.07Å; F118-G266 CarbonylContact O-C 3.56Å; F118-H267 AromaticContact CD1-CE1 3.68Å; F118-H267 AromaticContact CD1-ND1 3.88Å; F118-H267 AromaticContact CD1-NE2 3.8Å; F118-H267 WeakPolarHBondContact O-CA 3.47Å; F118-H267 PolarHBondContact O-N 3.06Å; F118-A270 HydrophobicContact CD1-CB 4.03Å; F118-A270 HydrophobicContact CG-CB 4.37Å; F118-L274 HydrophobicContact CE1-CD1 3.96Å; F118-L274 HydrophobicContact CE2-CD1 4.4Å; F118-L274 HydrophobicContact CZ-CD1 3.54Å
119D97.6Very high98.1Very high34 Ų347.1 Ų7.118%0.1823%0.034CC..SBendtrans-83.579.8174.3-159.8-17.3000109.3N121 C122 H227 G261 S262 N354D119-N121 PolarHBondContact O-N 3.28Å; D119-C122 HydrophobicContact CB-CB 3.98Å; D119-C122 VanDerWaalsContact O-CB 3.29Å; D119-C122 WeakPolarHBondContact O-CB 3.46Å; D119-C122 PolarHBondContact O-N 3.06Å; D119-H227 IonicContact OD2-CE1 3.22Å; D119-H227 PolarHBondContact OD2-CE1 2.71Å; D119-H227 IonicContact OD2-NE2 2.63Å; D119-H227 PolarHBondContact OD2-NE2 3.23Å; D119-H227 VanDerWaalsContact OD2-NE2 3.15Å; D119-G261 WeakPolarHBondContact OD1-CA 3.45Å; D119-S262 PolarHBondContact OD1-N 3.24Å; D119-S262 PolarHBondContact OD1-OG 3.47Å; D119-N354 VanDerWaalsContact O-CB 3.23Å; D119-N354 WeakPolarHBondContact O-CB 3.49Å; D119-N354 PolarHBondContact O-ND2 2.83Å; D119-N354 VanDerWaalsContact O-ND2 3.11Å
120I98.7Very high98.1Very high0 Ų010.8 Ų10.80%05%0.053CC..THydrogen-bonded Turntrans-58.7132.7-179.7-62.5171.8000108.6V116 F118 C122 S262 V269 A270 Y306 M310 A313 I355V116-I120 HydrophobicContact CG1-CG1 4.14Å; V116-I120 HydrophobicContact CG1-CG2 4.5Å; F118-I120 VanDerWaalsContact C-N 3.28Å; F118-I120 PolarHBondContact O-N 3.07Å; I120-C122 PolarHBondContact O-N 3.25Å; I120-C122 VanDerWaalsContact O-N 3.16Å; I120-S262 PolarHBondContact N-OG 3.16Å; I120-S262 WeakPolarHBondContact O-CB 3.48Å; I120-S262 PolarHBondContact O-N 3.36Å; I120-S262 PolarHBondContact O-OG 3.34Å; I120-V269 HydrophobicContact CD1-CB 4.03Å; I120-V269 HydrophobicContact CD1-CG1 3.81Å; I120-A270 HydrophobicContact CD1-CB 4.44Å; I120-Y306 HydrophobicContact CD1-CE2 4.42Å; I120-M310 HydrophobicContact CD1-CB 4.31Å; I120-M310 HydrophobicContact CD1-CG 4.15Å; I120-M310 HydrophobicContact CG1-CG 4.48Å; I120-M310 HydrophobicContact CG2-CG 3.61Å; I120-A313 HydrophobicContact CB-CB 4.09Å; I120-A313 HydrophobicContact CD1-CB 4.07Å; I120-A313 HydrophobicContact CG2-CB 3.94Å; I120-I355 HydrophobicContact CG2-CD1 4.2Å
121N98.6Very high98.1Very high0 Ų011.5 Ų11.50%06%0.057CC..THydrogen-bonded Turntrans50.333.6-173.5-166.816.9000113.5D119 G123 G314 A317 R321 S352 N354 I355D119-N121 PolarHBondContact O-N 3.28Å; N121-G123 PolarHBondContact O-N 2.83Å; N121-G314 PolarHBondContact ND2-O 3.49Å; N121-A317 HydrophobicContact CB-CB 3.66Å; N121-A317 WeakPolarHBondContact O-CB 3.29Å; N121-R321 PolarHBondContact O-NH1 2.87Å; N121-R321 PolarHBondContact OD1-NH2 2.9Å; N121-R321 VanDerWaalsContact OD1-NH2 3.15Å; N121-S352 WeakPolarHBondContact CA-OG 3.43Å; N121-S352 WeakPolarHBondContact OD1-CB 3.37Å; N121-S352 PolarHBondContact OD1-OG 3.43Å; N121-N354 WeakPolarHBondContact CA-O 3.43Å; N121-N354 PolarHBondContact N-O 3.48Å; N121-I355 HydrophobicContact CB-CD1 4.31Å
122C98.3Very high98.1Very high4 Ų413 Ų133%0.0277%0.065CC..  trans-54.3132.4153.3-164.10000107.7D119 I120 H227 H259 H353 N354D119-C122 HydrophobicContact CB-CB 3.98Å; D119-C122 VanDerWaalsContact O-CB 3.29Å; D119-C122 WeakPolarHBondContact O-CB 3.46Å; D119-C122 PolarHBondContact O-N 3.06Å; I120-C122 PolarHBondContact O-N 3.25Å; I120-C122 VanDerWaalsContact O-N 3.16Å; C122-H227 PolarHBondContact SG-NE2 3.29Å; C122-H259 PolarHBondContact SG-NE2 3.16Å; C122-H353 VanDerWaalsContact C-CD2 3.45Å; C122-H353 VanDerWaalsContact C-NE2 3.31Å; C122-H353 PolarHBondContact O-CD2 2.83Å; C122-H353 PolarHBondContact O-N 2.66Å; C122-H353 PolarHBondContact O-NE2 3.01Å; C122-H353 PolarHBondContact SG-NE2 3.26Å; C122-N354 HydrophobicContact CB-CB 4.32Å; C122-N354 PolarHBondContact O-N 2.83Å
123G98.2Very high98.1Very high0 Ų015 Ų150%07%0.074CC..EExtended strand (participates in β ladder)trans-168.9175.7-168.400000111.6N121 H259 S260 V351N121-G123 PolarHBondContact O-N 2.83Å; G123-H259 WeakPolarHBondContact O-CA 3.36Å; G123-H259 PolarHBondContact O-CD2 3.19Å; G123-H259 VanDerWaalsContact O-CD2 3.23Å; G123-S260 PolarHBondContact N-O 3.07Å; G123-S260 PolarHBondContact O-N 3.15Å; G123-S260 VanDerWaalsContact O-N 3.13Å; G123-V351 CarbonylContact C-O 3.51Å; G123-V351 WeakPolarHBondContact CA-O 3.08Å
124V98.4Very high98.1Very high1 Ų123.6 Ų23.61%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-124.5139-174.4-174.50000108.7M257 I258 H259 D350 V351 L400V124-M257 HydrophobicContact CG1-CE 4.33Å; V124-M257 HydrophobicContact CG1-CG 3.4Å; V124-M257 VanDerWaalsContact CG1-CG 3.4Å; V124-M257 HydrophobicContact CG1-SD 3.68Å; V124-I258 CarbonylContact C-O 3.51Å; V124-I258 WeakPolarHBondContact CA-O 3.38Å; V124-H259 HydrophobicContact CG2-CB 4.3Å; V124-D350 WeakPolarHBondContact O-CA 3.47Å; V124-V351 PolarHBondContact N-O 3.41Å; V124-V351 PolarHBondContact O-N 3.36Å; V124-L400 HydrophobicContact CB-CB 3.93Å; V124-L400 HydrophobicContact CB-CD1 4.33Å; V124-L400 HydrophobicContact CG1-CB 3.8Å; V124-L400 HydrophobicContact CG1-CD1 4.08Å; V124-L400 WeakPolarHBondContact O-CD1 3.48Å
125R98.8Very high98.2Very high0 Ų026.6 Ų26.60%012%0.122CC..EExtended strand (participates in β ladder)trans-122.2137.8169.9179177.1-72.5-147.1-9109.1L127 M257 I258 T325 V347 Y349 D350R125-L127 HydrophobicContact CG-CD1 4.32Å; R125-M257 CarbonylContact O-C 3.33Å; R125-M257 WeakPolarHBondContact O-CA 3.27Å; R125-I258 PolarHBondContact N-O 2.96Å; R125-I258 PolarHBondContact O-N 3.25Å; R125-T325 WeakPolarHBondContact CD-OG1 3.25Å; R125-T325 PolarHBondContact NH1-OG1 3.17Å; R125-T325 VanDerWaalsContact NH1-OG1 3.13Å; R125-V347 HydrophobicContact CG-CG1 4.02Å; R125-V347 HydrophobicContact CG-CG2 4.36Å; R125-Y349 WeakPolarHBondContact CA-O 3.3Å; R125-D350 HydrophobicContact CB-CB 4.08Å; R125-D350 HydrophobicContact CG-CB 4.07Å; R125-D350 IonicContact CZ-OD2 3.8Å; R125-D350 IonicContact NE-OD2 3.93Å; R125-D350 PolarHBondContact NE-OD2 3.33Å; R125-D350 IonicContact NH2-OD2 3.97Å; R125-D350 PolarHBondContact NH2-OD2 3.06Å
126L98.9Very high98.3Very high1 Ų126.6 Ų26.61%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-119.7131.4177.8-176.166.1000109.8C255 V256 M257 V347 I348 Y349 L400 V411 L497L126-C255 HydrophobicContact CD1-CB 3.84Å; L126-V256 WeakPolarHBondContact CA-O 3.36Å; L126-M257 HydrophobicContact CD1-CB 4Å; L126-M257 HydrophobicContact CD1-CE 3.99Å; L126-V347 CarbonylContact O-C 3.47Å; L126-I348 HydrophobicContact CB-CB 4.38Å; L126-I348 HydrophobicContact CD2-CB 4.4Å; L126-I348 HydrophobicContact CD2-CD1 3.73Å; L126-I348 HydrophobicContact CG-CB 4.42Å; L126-I348 HydrophobicContact CG-CD1 4.05Å; L126-I348 PolarHBondContact O-N 2.81Å; L126-Y349 PolarHBondContact N-O 2.77Å; L126-L400 HydrophobicContact CB-CD1 3.71Å; L126-L400 HydrophobicContact CB-CD2 3.79Å; L126-L400 HydrophobicContact CB-CG 4.39Å; L126-L400 HydrophobicContact CD2-CD2 3.84Å; L126-L400 HydrophobicContact CG-CD2 4.48Å; L126-V411 HydrophobicContact CD2-CG2 3.49Å; L126-V411 VanDerWaalsContact CD2-CG2 3.49Å; L126-L497 HydrophobicContact CD1-CD1 4.05Å; L126-L497 HydrophobicContact CD2-CD1 3.99Å
127L98.8Very high98.3Very high0 Ų030 Ų300%014%0.138CC..EExtended strand (participates in β ladder)trans-109.5142.4171-63.784.8000109.5R125 C255 V256 I258 T325 H346 V347R125-L127 HydrophobicContact CG-CD1 4.32Å; L127-C255 CarbonylContact O-C 3.53Å; L127-C255 WeakPolarHBondContact O-CA 3.47Å; L127-C255 VanDerWaalsContact O-CB 3.3Å; L127-C255 WeakPolarHBondContact O-CB 3.39Å; L127-V256 HydrophobicContact CB-CB 4.4Å; L127-V256 PolarHBondContact N-O 3.16Å; L127-V256 PolarHBondContact O-N 3.22Å; L127-I258 HydrophobicContact CD1-CD1 3.89Å; L127-I258 HydrophobicContact CD1-CG1 4.4Å; L127-T325 HydrophobicContact CD1-CG2 4.4Å; L127-T325 HydrophobicContact CD2-CG2 3.69Å; L127-T325 HydrophobicContact CG-CG2 4.33Å; L127-H346 CarbonylContact C-O 3.37Å; L127-H346 VanDerWaalsContact CA-O 3.27Å; L127-H346 WeakPolarHBondContact CA-O 3.28Å; L127-V347 HydrophobicContact CG-CG2 4.3Å
128R98.4Very high98.3Very high44 Ų4435 Ų3517%0.16617%0.17CC..EExtended strand (participates in β ladder)trans-92.9165.1164.966.9-172-175.177.810110.3M246 I248 D344 M345 H346 I348R128-M246 WeakPolarHBondContact CD-O 3.34Å; R128-I248 HydrophobicContact CB-CD1 3.99Å; R128-D344 IonicContact CZ-OD1 3.05Å; R128-D344 VanDerWaalsContact CZ-OD1 3.22Å; R128-D344 IonicContact CZ-OD2 2.65Å; R128-D344 IonicContact NH1-OD1 2.99Å; R128-D344 PolarHBondContact NH1-OD1 3.43Å; R128-D344 IonicContact NH1-OD2 2.77Å; R128-D344 PolarHBondContact NH1-OD2 2.85Å; R128-D344 IonicContact NH2-OD1 3.15Å; R128-D344 PolarHBondContact NH2-OD1 2.83Å; R128-D344 IonicContact NH2-OD2 3.13Å; R128-M345 VanDerWaalsContact O-CA 3.3Å; R128-M345 WeakPolarHBondContact O-CA 3.36Å; R128-H346 HydrophobicContact CG-CB 4.38Å; R128-H346 PolarHBondContact N-O 3.08Å; R128-H346 PolarHBondContact NH2-CD2 2.89Å; R128-I348 HydrophobicContact CB-CD1 4.02Å; R128-I348 HydrophobicContact CB-CG1 4.1Å; R128-I348 HydrophobicContact CG-CG1 4.44Å
129T98.8Very high98.4Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-137.2171.3164.674.80000109L131 Q253 V254 F332 L343 M345T129-L131 VanDerWaalsContact C-N 3.29Å; T129-L131 WeakPolarHBondContact OG1-CB 3.43Å; T129-L131 PolarHBondContact OG1-N 3.5Å; T129-L131 VanDerWaalsContact OG1-N 3.1Å; T129-Q253 WeakPolarHBondContact O-CG 3.37Å; T129-Q253 PolarHBondContact O-NE2 3.16Å; T129-V254 PolarHBondContact N-O 2.88Å; T129-V254 VanDerWaalsContact N-O 3.15Å; T129-V254 PolarHBondContact OG1-O 3Å; T129-V254 VanDerWaalsContact OG1-O 3.13Å; T129-F332 HydrophobicContact CG2-CE1 4.28Å; T129-L343 VanDerWaalsContact CA-O 3.31Å; T129-L343 WeakPolarHBondContact CA-O 3.48Å; T129-L343 WeakPolarHBondContact CB-O 3.39Å; T129-M345 HydrophobicContact CG2-CE 4.25Å; T129-M345 HydrophobicContact CG2-CG 4.11Å
130N98.4Very high98.4Very high79 Ų7933.7 Ų33.742%0.42217%0.166SC..EExtended strand (participates in β ladder)trans-90.411.7167.964.4-3.6000113.4D342 L343 D344N130-D342 PolarHBondContact ND2-O 3.03Å; N130-L343 PolarHBondContact N-O 3.26Å; N130-L343 VanDerWaalsContact OD1-C 3.29Å; N130-L343 VanDerWaalsContact OD1-CA 3.31Å; N130-L343 WeakPolarHBondContact OD1-CA 3.3Å; N130-L343 PolarHBondContact OD1-O 3.21Å; N130-L343 VanDerWaalsContact OD1-O 3.12Å; N130-D344 HydrophobicContact CB-CB 3.75Å
131L98.6Very high98.4Very high15 Ų1538.1 Ų38.18%0.07919%0.186CC..EExtended strand (participates in β ladder)trans-88.3146.9-178.9-61.3171.1000111.4T129 D135 V136 Q253 V254 F332 F336 L343T129-L131 VanDerWaalsContact C-N 3.29Å; T129-L131 WeakPolarHBondContact OG1-CB 3.43Å; T129-L131 PolarHBondContact OG1-N 3.5Å; T129-L131 VanDerWaalsContact OG1-N 3.1Å; L131-D135 HydrophobicContact CD2-CB 4.15Å; L131-V136 HydrophobicContact CB-CG2 4.45Å; L131-V136 HydrophobicContact CD1-CG2 4.26Å; L131-Q253 WeakPolarHBondContact O-CA 3.36Å; L131-V254 HydrophobicContact CB-CB 4.23Å; L131-V254 HydrophobicContact CB-CG2 4.38Å; L131-V254 PolarHBondContact O-N 3.16Å; L131-F332 HydrophobicContact CD1-CD1 4.16Å; L131-F332 HydrophobicContact CD1-CE1 4.19Å; L131-F336 HydrophobicContact CD1-CD2 4.06Å; L131-F336 HydrophobicContact CD1-CE1 4.14Å; L131-F336 HydrophobicContact CD1-CE2 3.56Å; L131-F336 HydrophobicContact CD1-CZ 3.62Å; L131-F336 HydrophobicContact CD2-CE1 4.35Å; L131-L343 HydrophobicContact CD1-CD2 4.15Å; L131-L343 HydrophobicContact CD2-CD2 3.93Å; L131-L343 HydrophobicContact CG-CD2 4.14Å
132D98.6Very high98.4Very high31 Ų3143.6 Ų43.617%0.16621%0.212CC..EExtended strand (participates in β ladder)trans-94160.4168.3-77.9-58.6000111.6R134 D135 V136 H250 G252D132-R134 HydrophobicContact CB-CG 3.74Å; D132-R134 PolarHBondContact O-N 3.22Å; D132-R134 VanDerWaalsContact O-N 3.16Å; D132-R134 IonicContact OD2-CZ 3.46Å; D132-R134 IonicContact OD2-NE 3.2Å; D132-R134 PolarHBondContact OD2-NE 2.97Å; D132-R134 IonicContact OD2-NH2 2.9Å; D132-R134 PolarHBondContact OD2-NH2 3.43Å; D132-D135 WeakPolarHBondContact CB-OD2 3.24Å; D132-D135 PolarHBondContact N-OD2 2.93Å; D132-D135 WeakPolarHBondContact O-CB 3.24Å; D132-D135 PolarHBondContact O-N 3.19Å; D132-V136 PolarHBondContact O-N 3.29Å; D132-H250 IonicContact OD1-CD2 3.27Å; D132-H250 IonicContact OD1-NE2 3.98Å; D132-H250 PolarHBondContact OD1-NE2 3.25Å; D132-G252 CarbonylContact C-O 3.55Å
133E98.4Very high98.4Very high43 Ų4343.4 Ų43.420%0.20121%0.211CC..Hα-helixtrans-52.9-37.2171.2179.2175.5-150.900112.5D135 V136 Q137 V233 G252 R498E133-D135 PolarHBondContact O-N 3.39Å; E133-V136 PolarHBondContact O-N 3.15Å; E133-Q137 HydrophobicContact CG-CG 3.71Å; E133-Q137 WeakPolarHBondContact O-CB 3.32Å; E133-Q137 WeakPolarHBondContact O-CG 3.25Å; E133-Q137 PolarHBondContact O-N 2.64Å; E133-Q137 PolarHBondContact OE1-NE2 3.03Å; E133-V233 HydrophobicContact CB-CG1 4.11Å; E133-V233 HydrophobicContact CB-CG2 3.9Å; E133-V233 HydrophobicContact CG-CG2 4.02Å; E133-G252 PolarHBondContact N-O 2.88Å; E133-R498 IonicContact OE1-CZ 2.63Å; E133-R498 VanDerWaalsContact OE1-CZ 3.27Å; E133-R498 IonicContact OE1-NH1 3.69Å; E133-R498 PolarHBondContact OE1-NH1 2.99Å; E133-R498 IonicContact OE1-NH2 3.85Å; E133-R498 PolarHBondContact OE1-NH2 2.92Å; E133-R498 IonicContact OE2-CZ 3.81Å; E133-R498 IonicContact OE2-NH1 3.8Å; E133-R498 IonicContact OE2-NH2 2.86Å; E133-R498 PolarHBondContact OE2-NH2 2.91Å
134R98.2Very high98.3Very high183 Ų18343.4 Ų43.469%0.69121%0.211SC*.Hα-helixtrans-62.6-27.3178.169.8-174.8167.8168.1-6.6113D132 P138D132-R134 HydrophobicContact CB-CG 3.74Å; D132-R134 PolarHBondContact O-N 3.22Å; D132-R134 VanDerWaalsContact O-N 3.16Å; D132-R134 IonicContact OD2-CZ 3.46Å; D132-R134 IonicContact OD2-NE 3.2Å; D132-R134 PolarHBondContact OD2-NE 2.97Å; D132-R134 IonicContact OD2-NH2 2.9Å; D132-R134 PolarHBondContact OD2-NH2 3.43Å; R134-P138 WeakPolarHBondContact O-CD 3.1Å
135D98.3Very high98.3Very high64 Ų6446.5 Ų46.534%0.34223%0.225SC..Hα-helixtrans-80.1-33.5179.2-53.6-41000110.5L131 D132 E133L131-D135 HydrophobicContact CD2-CB 4.15Å; D132-D135 WeakPolarHBondContact CB-OD2 3.24Å; D132-D135 PolarHBondContact N-OD2 2.93Å; D132-D135 WeakPolarHBondContact O-CB 3.24Å; D132-D135 PolarHBondContact O-N 3.19Å; E133-D135 PolarHBondContact O-N 3.39Å
136V98.4Very high98.3Very high0 Ų046.7 Ų46.70%023%0.227CC..Hα-helixtrans-85.2-37.1-178.8177.50000112.7L131 D132 E133 P138 V139 K140 L143 I231 V254 F336 I500L131-V136 HydrophobicContact CB-CG2 4.45Å; L131-V136 HydrophobicContact CD1-CG2 4.26Å; D132-V136 PolarHBondContact O-N 3.29Å; E133-V136 PolarHBondContact O-N 3.15Å; V136-P138 VanDerWaalsContact C-CD 3.48Å; V136-V139 CarbonylContact O-C 3.55Å; V136-V139 WeakPolarHBondContact O-CG2 3.29Å; V136-V139 PolarHBondContact O-N 2.85Å; V136-K140 HydrophobicContact CG1-CB 4.48Å; V136-K140 WeakPolarHBondContact O-CA 3.4Å; V136-K140 PolarHBondContact O-N 2.82Å; V136-L143 HydrophobicContact CG1-CD2 3.95Å; V136-I231 HydrophobicContact CG1-CG2 4.47Å; V136-V254 HydrophobicContact CB-CG2 4.38Å; V136-V254 HydrophobicContact CG2-CB 4.39Å; V136-V254 HydrophobicContact CG2-CG1 4.16Å; V136-V254 HydrophobicContact CG2-CG2 3.69Å; V136-F336 HydrophobicContact CG2-CZ 4.09Å; V136-I500 HydrophobicContact CB-CD1 4.25Å; V136-I500 HydrophobicContact CG1-CD1 3.69Å
137Q97.6Very high98.2Very high72 Ų7246.7 Ų46.734%0.33623%0.227SC..G310 helixtrans-52-44.4-174.2-83.7-70.11100114.3E133 V139 K140E133-Q137 HydrophobicContact CG-CG 3.71Å; E133-Q137 WeakPolarHBondContact O-CB 3.32Å; E133-Q137 WeakPolarHBondContact O-CG 3.25Å; E133-Q137 PolarHBondContact O-N 2.64Å; E133-Q137 PolarHBondContact OE1-NE2 3.03Å; Q137-V139 VanDerWaalsContact C-N 3.25Å; Q137-V139 PolarHBondContact O-N 2.87Å; Q137-K140 PolarHBondContact O-N 2.64Å
138P98.2Very high98.1Very high109 Ų10949.2 Ų49.271%0.70824%0.237SC*.G310 helixtrans-63.8-27.6178.6-23.234.9000114.2R134 V136R134-P138 WeakPolarHBondContact O-CD 3.1Å; V136-P138 VanDerWaalsContact C-CD 3.48Å
139V98.2Very high97.9Very high36 Ų3651.7 Ų51.722%0.21825%0.254CS..G310 helixtrans-113.98.4-175.4-62.30000113V136 Q137 E141 Q142 L143 V335 F336V136-V139 CarbonylContact O-C 3.55Å; V136-V139 WeakPolarHBondContact O-CG2 3.29Å; V136-V139 PolarHBondContact O-N 2.85Å; Q137-V139 VanDerWaalsContact C-N 3.25Å; Q137-V139 PolarHBondContact O-N 2.87Å; V139-E141 PolarHBondContact O-N 3.24Å; V139-Q142 CarbonylContact O-C 3.4Å; V139-Q142 WeakPolarHBondContact O-CA 3.1Å; V139-Q142 WeakPolarHBondContact O-CB 3.25Å; V139-Q142 PolarHBondContact O-N 3.15Å; V139-L143 WeakPolarHBondContact O-CB 3.3Å; V139-L143 PolarHBondContact O-N 3.24Å; V139-V335 HydrophobicContact CB-CG1 4.06Å; V139-V335 HydrophobicContact CG2-CG1 4.02Å; V139-F336 HydrophobicContact CG2-CE1 4.01Å; V139-F336 HydrophobicContact CG2-CZ 3.87Å
140K97.9Very high97.7Very high26 Ų2653.8 Ų53.811%0.11326%0.264CS..Hα-helixtrans-54-46.5-170.7-178.4-178.771.8-168.20113.3V136 Q137 L143 A144 G456 A458 I500 A501V136-K140 HydrophobicContact CG1-CB 4.48Å; V136-K140 WeakPolarHBondContact O-CA 3.4Å; V136-K140 PolarHBondContact O-N 2.82Å; Q137-K140 PolarHBondContact O-N 2.64Å; K140-L143 PolarHBondContact O-N 3.16Å; K140-A144 WeakPolarHBondContact O-CB 3.45Å; K140-A144 PolarHBondContact O-N 2.85Å; K140-G456 PolarHBondContact NZ-O 3.29Å; K140-A458 HydrophobicContact CD-CB 4.32Å; K140-A458 HydrophobicContact CG-CB 4.02Å; K140-I500 HydrophobicContact CD-CB 4.26Å; K140-I500 WeakPolarHBondContact CD-O 3.4Å; K140-A501 HydrophobicContact CG-CB 4.32Å
141E97.9Very high97.6Very high92 Ų9250 Ų5043%0.4324%0.244SC..Hα-helixtrans-66.8-39.2178.7-69.2-62.1157.800112.4V139 Q145 A458 R460V139-E141 PolarHBondContact O-N 3.24Å; E141-Q145 WeakPolarHBondContact O-CB 3.33Å; E141-Q145 PolarHBondContact O-N 3.17Å; E141-A458 VanDerWaalsContact OE1-CB 3.24Å; E141-A458 WeakPolarHBondContact OE1-CB 3.23Å; E141-R460 PolarHBondContact O-NH2 3.45Å; E141-R460 IonicContact OE2-CZ 2.72Å; E141-R460 VanDerWaalsContact OE2-CZ 3.23Å; E141-R460 IonicContact OE2-NH1 2.92Å; E141-R460 PolarHBondContact OE2-NH1 3Å; E141-R460 IonicContact OE2-NH2 2.7Å; E141-R460 PolarHBondContact OE2-NH2 3.4Å
142Q98.2Very high97.3Very high115 Ų11550.4 Ų50.454%0.53725%0.247SC..Hα-helixtrans-67.4-39.8176.4-178.1-175-6.800110.9V139 Q145 S146 V335V139-Q142 CarbonylContact O-C 3.4Å; V139-Q142 WeakPolarHBondContact O-CA 3.1Å; V139-Q142 WeakPolarHBondContact O-CB 3.25Å; V139-Q142 PolarHBondContact O-N 3.15Å; Q142-Q145 PolarHBondContact O-N 3.31Å; Q142-S146 WeakPolarHBondContact O-CB 3.37Å; Q142-S146 PolarHBondContact O-N 3.5Å; Q142-V335 HydrophobicContact CG-CG2 4.31Å
143L98.3Very high96.7Very high0 Ų049.6 Ų49.60%024%0.243CC..Hα-helixtrans-69.9-42.4178.7-172.758.8000111.9V136 V139 K140 Q145 S146 L147 I231 F332 V335 F336V136-L143 HydrophobicContact CG1-CD2 3.95Å; V139-L143 WeakPolarHBondContact O-CB 3.3Å; V139-L143 PolarHBondContact O-N 3.24Å; K140-L143 PolarHBondContact O-N 3.16Å; L143-Q145 VanDerWaalsContact C-N 3.3Å; L143-Q145 PolarHBondContact O-N 3.04Å; L143-S146 PolarHBondContact O-N 2.74Å; L143-L147 PolarHBondContact O-N 2.82Å; L143-I231 HydrophobicContact CB-CD1 4.27Å; L143-I231 HydrophobicContact CD2-CD1 3.53Å; L143-I231 HydrophobicContact CG-CD1 3.55Å; L143-F332 HydrophobicContact CD1-CD1 4.36Å; L143-F332 HydrophobicContact CD1-CD2 3.88Å; L143-F332 HydrophobicContact CD1-CE2 4.06Å; L143-F332 HydrophobicContact CD1-CG 4.04Å; L143-F332 HydrophobicContact CD1-CZ 4.37Å; L143-F332 HydrophobicContact CD2-CD1 4.35Å; L143-F332 HydrophobicContact CD2-CE1 3.85Å; L143-F332 HydrophobicContact CD2-CE2 4.27Å; L143-F332 HydrophobicContact CD2-CZ 3.8Å; L143-F332 HydrophobicContact CG-CE2 4.34Å; L143-F332 HydrophobicContact CG-CZ 4.36Å; L143-V335 HydrophobicContact CB-CG1 4.37Å; L143-V335 HydrophobicContact CD1-CB 3.97Å; L143-V335 HydrophobicContact CD1-CG1 4.25Å; L143-V335 HydrophobicContact CD1-CG2 3.87Å; L143-F336 HydrophobicContact CD1-CE2 4.31Å; L143-F336 HydrophobicContact CD2-CE2 3.89Å; L143-F336 HydrophobicContact CD2-CZ 4.24Å
144A97.8Very high95.5Very high0 Ų047.8 Ų47.80%024%0.236CC..Hα-helixtrans-58.2-43.8171.800000111.4K140 L147 F148 A458 R460 A501 I503K140-A144 WeakPolarHBondContact O-CB 3.45Å; K140-A144 PolarHBondContact O-N 2.85Å; A144-L147 PolarHBondContact O-N 3.3Å; A144-F148 WeakPolarHBondContact O-CB 3.27Å; A144-F148 PolarHBondContact O-N 3.19Å; A144-A458 HydrophobicContact CB-CB 4.16Å; A144-R460 HydrophobicContact CB-CG 4.3Å; A144-A501 HydrophobicContact CB-CB 3.98Å; A144-I503 WeakPolarHBondContact O-CG2 3.19Å
145Q97.8Very high94.1Very high66 Ų6645 Ų4531%0.30824%0.239SC..Hα-helixtrans-64.8-43.9174.7-170.761.448.200111.9E141 Q142 L143 L147 F148 D149E141-Q145 WeakPolarHBondContact O-CB 3.33Å; E141-Q145 PolarHBondContact O-N 3.17Å; Q142-Q145 PolarHBondContact O-N 3.31Å; L143-Q145 VanDerWaalsContact C-N 3.3Å; L143-Q145 PolarHBondContact O-N 3.04Å; Q145-L147 VanDerWaalsContact C-N 3.33Å; Q145-L147 PolarHBondContact O-N 3.45Å; Q145-F148 WeakPolarHBondContact O-CB 3.25Å; Q145-F148 PolarHBondContact O-N 2.94Å; Q145-F148 VanDerWaalsContact O-N 3.14Å; Q145-D149 PolarHBondContact NE2-OD1 3.03Å; Q145-D149 PolarHBondContact O-N 3.5Å
146S97.9Very high92.7Very high5 Ų544.5 Ų44.54%0.03525%0.249CC..Hα-helixtrans-58.9-45177.8-169.90000110.9Q142 L143 F148 D149 H150 A331Q142-S146 WeakPolarHBondContact O-CB 3.37Å; Q142-S146 PolarHBondContact O-N 3.5Å; L143-S146 PolarHBondContact O-N 2.74Å; S146-F148 PolarHBondContact O-N 3.4Å; S146-D149 PolarHBondContact O-N 3.04Å; S146-H150 PolarHBondContact O-N 3.35Å; S146-H150 PolarHBondContact O-ND1 2.94Å; S146-A331 WeakPolarHBondContact OG-CA 3.34Å; S146-A331 PolarHBondContact OG-O 3.25Å
147L97.4Very high91.6Very high1 Ų146.2 Ų46.21%0.00526%0.261CS..Hα-helixtrans-60.7-44.8174.7-75173.8000112L143 A144 Q145 D149 H150 I151 I231 T328 A331 F332 I503L143-L147 PolarHBondContact O-N 2.82Å; A144-L147 PolarHBondContact O-N 3.3Å; Q145-L147 VanDerWaalsContact C-N 3.33Å; Q145-L147 PolarHBondContact O-N 3.45Å; L147-D149 VanDerWaalsContact C-N 3.3Å; L147-D149 PolarHBondContact O-N 3.47Å; L147-H150 PolarHBondContact O-N 2.94Å; L147-I151 HydrophobicContact CD2-CD1 4.17Å; L147-I151 WeakPolarHBondContact O-CB 3.33Å; L147-I151 PolarHBondContact O-N 2.91Å; L147-I231 HydrophobicContact CD1-CD1 3.65Å; L147-I231 HydrophobicContact CD1-CG1 3.61Å; L147-T328 HydrophobicContact CD2-CG2 3.89Å; L147-A331 HydrophobicContact CD2-CB 3.66Å; L147-A331 HydrophobicContact CG-CB 4.16Å; L147-F332 HydrophobicContact CD1-CE2 4.25Å; L147-F332 HydrophobicContact CD2-CD2 4.34Å; L147-F332 HydrophobicContact CD2-CE2 4.2Å; L147-F332 HydrophobicContact CG-CE2 4.47Å; L147-I503 HydrophobicContact CB-CD1 4.09Å; L147-I503 HydrophobicContact CB-CG2 4.05Å
148F96.1Very high90.9Very high52 Ų5250 Ų5023%0.22828%0.277CS..Hα-helixtrans-63.5-35.3179.1-171.5-95.4000112.9A144 Q145 S146 V153 R460 I503A144-F148 WeakPolarHBondContact O-CB 3.27Å; A144-F148 PolarHBondContact O-N 3.19Å; Q145-F148 WeakPolarHBondContact O-CB 3.25Å; Q145-F148 PolarHBondContact O-N 2.94Å; Q145-F148 VanDerWaalsContact O-N 3.14Å; S146-F148 PolarHBondContact O-N 3.4Å; F148-V153 HydrophobicContact CD2-CG1 4.43Å; F148-V153 HydrophobicContact CD2-CG2 3.85Å; F148-V153 HydrophobicContact CE2-CB 4.49Å; F148-V153 HydrophobicContact CE2-CG2 3.28Å; F148-V153 HydrophobicContact CZ-CG2 3.69Å; F148-R460 HydrophobicContact CB-CB 3.93Å; F148-R460 HydrophobicContact CB-CG 4.1Å; F148-R460 HydrophobicContact CD2-CB 3.39Å; F148-R460 HydrophobicContact CD2-CG 4.41Å; F148-R460 HydrophobicContact CE2-CB 3.93Å; F148-R460 HydrophobicContact CG-CB 3.75Å; F148-R460 HydrophobicContact CG-CG 4.31Å; F148-I503 HydrophobicContact CB-CG2 4.08Å; F148-I503 HydrophobicContact CD2-CB 4.36Å
149D94.9Very high90Very high96 Ų9646 Ų4651%0.51326%0.256SS..Hα-helixtrans-73.4-35.8177.9-66.5-16.3000112.2Q145 S146 L147Q145-D149 PolarHBondContact NE2-OD1 3.03Å; Q145-D149 PolarHBondContact O-N 3.5Å; S146-D149 PolarHBondContact O-N 3.04Å; L147-D149 VanDerWaalsContact C-N 3.3Å; L147-D149 PolarHBondContact O-N 3.47Å
150H95.5Very high89.3Confident45 Ų4548.5 Ų48.521%0.20827%0.271CS..Hα-helixtrans-83.9-34.7-178.7-71.783.8000113.2S146 L147 P152 L327 A331S146-H150 PolarHBondContact O-N 3.35Å; S146-H150 PolarHBondContact O-ND1 2.94Å; L147-H150 PolarHBondContact O-N 2.94Å; H150-P152 WeakPolarHBondContact O-CD 3.48Å; H150-L327 HydrophobicContact CB-CB 4.41Å; H150-A331 HydrophobicContact CB-CB 4.26Å
151I95.5Very high88.7Confident0 Ų048 Ų480%027%0.269CS..SBendtrans-100.7108.9-176.9-60.4171.3000108.5L147 V153 L222 A229 M324 L327 I503L147-I151 HydrophobicContact CD2-CD1 4.17Å; L147-I151 WeakPolarHBondContact O-CB 3.33Å; L147-I151 PolarHBondContact O-N 2.91Å; I151-V153 WeakPolarHBondContact O-CG1 3.17Å; I151-V153 PolarHBondContact O-N 3.47Å; I151-L222 HydrophobicContact CG2-CB 4.06Å; I151-A229 HydrophobicContact CD1-CB 4.47Å; I151-M324 HydrophobicContact CG2-CG 4.04Å; I151-M324 HydrophobicContact CG2-SD 3.94Å; I151-L327 HydrophobicContact CG1-CB 3.85Å; I151-L327 HydrophobicContact CG1-CD1 4.49Å; I151-I503 HydrophobicContact CB-CD1 4Å; I151-I503 HydrophobicContact CD1-CD1 4Å; I151-I503 HydrophobicContact CG2-CD1 4.29Å
152P91.6Very high88.1Confident22 Ų2248.1 Ų48.114%0.14328%0.278CS..  trans-63.4126.1176.6-19.131.3000110.9H150 K158 V160 G220 T221 L222H150-P152 WeakPolarHBondContact O-CD 3.48Å; P152-K158 WeakPolarHBondContact CB-O 3.4Å; P152-K158 VanDerWaalsContact CG-O 3.29Å; P152-K158 WeakPolarHBondContact CG-O 3.47Å; P152-V160 HydrophobicContact CG-CG1 3.86Å; P152-G220 WeakPolarHBondContact CD-O 3.41Å; P152-T221 HydrophobicContact CB-CG2 3.93Å; P152-T221 HydrophobicContact CG-CG2 4.36Å; P152-T221 WeakPolarHBondContact O-CA 3.42Å; P152-T221 WeakPolarHBondContact O-CB 3.43Å; P152-L222 PolarHBondContact O-N 2.68Å
153V86.1Confident87.6Confident14 Ų1444.3 Ų44.39%0.08526%0.26CS..  trans-115.6152.9-178.5-62.60000111.4F148 I151 S157 L222 A462 I503F148-V153 HydrophobicContact CD2-CG1 4.43Å; F148-V153 HydrophobicContact CD2-CG2 3.85Å; F148-V153 HydrophobicContact CE2-CB 4.49Å; F148-V153 HydrophobicContact CE2-CG2 3.28Å; F148-V153 HydrophobicContact CZ-CG2 3.69Å; I151-V153 WeakPolarHBondContact O-CG1 3.17Å; I151-V153 PolarHBondContact O-N 3.47Å; V153-S157 WeakPolarHBondContact O-CB 3.28Å; V153-S157 PolarHBondContact O-OG 3.01Å; V153-L222 HydrophobicContact CB-CD2 4.46Å; V153-L222 HydrophobicContact CG1-CB 3.94Å; V153-L222 HydrophobicContact CG1-CD2 3.61Å; V153-L222 HydrophobicContact CG1-CG 4.46Å; V153-A462 HydrophobicContact CG2-CB 3.79Å; V153-I503 HydrophobicContact CG1-CD1 4.25Å
154G73.5Confident87.3Confident5 Ų545.8 Ų45.85%0.05228%0.275CS..SBendtrans101.8167.6170.700000116.9G156 S157 G223 G505G154-G156 PolarHBondContact O-N 3.49Å; G154-S157 PolarHBondContact O-N 2.88Å; G154-S157 PolarHBondContact O-OG 2.9Å; G154-G223 WeakPolarHBondContact CA-O 3.5Å; G154-G223 PolarHBondContact N-O 2.79Å; G154-G505 VanDerWaalsContact CA-OXT 3.23Å; G154-G505 WeakPolarHBondContact CA-OXT 3.5Å
155V68.6Low87.2Confident124 Ų12449.2 Ų49.275%0.75230%0.304SS*.THydrogen-bonded Turntrans-71.3119.8-178.3-178.70000110.1S157 A224V155-S157 VanDerWaalsContact C-N 3.34Å; V155-A224 HydrophobicContact CG2-CB 3.55Å
156G70.2Confident87.1Confident54 Ų5453.2 Ų53.256%0.55732%0.32SS*.THydrogen-bonded Turntrans88.4-1.617700000114.6G154G154-G156 PolarHBondContact O-N 3.49Å
157S74.4Confident87Confident37 Ų3755.1 Ų55.126%0.25933%0.33SS..  trans-61.7149.5173.6-60.30000111.6V153 G154 V155V153-S157 WeakPolarHBondContact O-CB 3.28Å; V153-S157 PolarHBondContact O-OG 3.01Å; G154-S157 PolarHBondContact O-N 2.88Å; G154-S157 PolarHBondContact O-OG 2.9Å; V155-S157 VanDerWaalsContact C-N 3.34Å
158K82.4Confident87Confident151 Ų15155.2 Ų55.266%0.65733%0.33SS*.  trans-107.1142.3-176.5-61.9-173.6-178.9176.10111.4P152 P217P152-K158 WeakPolarHBondContact CB-O 3.4Å; P152-K158 VanDerWaalsContact CG-O 3.29Å; P152-K158 WeakPolarHBondContact CG-O 3.47Å; K158-P217 CarbonylContact C-O 3.59Å; K158-P217 WeakPolarHBondContact CA-O 3.37Å; K158-P217 HydrophobicContact CG-CB 4.19Å
159G78.9Confident87.1Confident26 Ų2656.9 Ų56.927%0.26834%0.339SS..  trans-59.9147.5171.300000112.7P217 L219G159-P217 PolarHBondContact N-O 3.47Å; G159-L219 WeakPolarHBondContact CA-O 3.31Å
160V84.4Confident87.3Confident88 Ų8854.1 Ų54.153%0.53332%0.323SS..SBendtrans-93.4-14.6173.4-65.90000112.7P152 P162 L327P152-V160 HydrophobicContact CG-CG1 3.86Å; V160-P162 WeakPolarHBondContact O-CD 3.33Å; V160-L327 HydrophobicContact CG2-CD1 3.89Å; V160-L327 HydrophobicContact CG2-CD2 3.67Å; V160-L327 HydrophobicContact CG2-CG 4.43Å
161I86.1Confident87.4Confident14 Ų1452 Ų527%0.07231%0.313CS..SBendtrans-75.1124.3175.5-68.1-178.3000109M163 W178 Y184 S323I161-M163 PolarHBondContact O-N 2.83Å; I161-W178 HydrophobicContact CG2-CH2 4.12Å; I161-Y184 HydrophobicContact CD1-CD1 4.11Å; I161-Y184 HydrophobicContact CD1-CD2 4.29Å; I161-Y184 HydrophobicContact CD1-CE1 4.38Å; I161-Y184 HydrophobicContact CD1-CG 4.08Å; I161-Y184 HydrophobicContact CG1-CE1 4.34Å; I161-Y184 HydrophobicContact CG2-CD2 4.09Å; I161-Y184 HydrophobicContact CG2-CE1 4.3Å; I161-Y184 HydrophobicContact CG2-CE2 3.49Å; I161-Y184 VanDerWaalsContact CG2-CE2 3.49Å; I161-S323 WeakPolarHBondContact CD1-OG 3.29Å
162P84.8Confident87.5Confident96 Ų9652 Ų5262%0.62331%0.313SS*.  trans-56.2122.4176.1-24.334000110.9V160V160-P162 WeakPolarHBondContact O-CD 3.33Å
163M87.1Confident87.9Confident35 Ų3555.7 Ų55.717%0.17233%0.328CS..  trans-146.9117.4-178.4174.7152.5-74.200111.2I161 D167 L168 A171 W178 L216 L219I161-M163 PolarHBondContact O-N 2.83Å; M163-D167 HydrophobicContact CE-CB 3.96Å; M163-D167 HydrophobicContact CG-CB 4.19Å; M163-L168 HydrophobicContact CG-CB 4.39Å; M163-L168 HydrophobicContact SD-CB 4.08Å; M163-L168 HydrophobicContact SD-CD1 4.17Å; M163-A171 HydrophobicContact CE-CB 4.21Å; M163-W178 HydrophobicContact CE-CH2 3.4Å; M163-W178 VanDerWaalsContact CE-CH2 3.4Å; M163-W178 HydrophobicContact CE-CZ2 3.46Å; M163-W178 VanDerWaalsContact CE-CZ2 3.46Å; M163-W178 HydrophobicContact CE-CZ3 4.01Å; M163-L216 HydrophobicContact CG-CD1 3.72Å; M163-L216 HydrophobicContact SD-CD1 4.5Å; M163-L219 HydrophobicContact CE-CD2 3.15Å; M163-L219 HydrophobicContact CE-CG 4.49Å; M163-L219 HydrophobicContact SD-CB 3.95Å; M163-L219 HydrophobicContact SD-CD2 3.37Å; M163-L219 WeakPolarHBondContact SD-CD2 3.43Å; M163-L219 HydrophobicContact SD-CG 4.22Å
164G93.3Very high88.4Confident30 Ų3057 Ų5731%0.30933%0.334SS..  trans-95.9-179.8168.400000112.7K166 D167 L168 L216G164-K166 VanDerWaalsContact C-N 3.3Å; G164-K166 PolarHBondContact O-N 3.49Å; G164-D167 WeakPolarHBondContact CA-OD2 3.4Å; G164-D167 PolarHBondContact N-OD2 3.41Å; G164-D167 PolarHBondContact O-N 3.47Å; G164-L168 PolarHBondContact O-N 3.01Å; G164-L216 WeakPolarHBondContact O-CD1 3.44Å
165A94.6Very high89.6Confident72 Ų7256.8 Ų56.860%0.59533%0.332SS*.Hα-helixtrans-61-39.7178.400000112.3L168 E169A165-L168 PolarHBondContact O-N 3.28Å; A165-E169 WeakPolarHBondContact O-CG 3.25Å; A165-E169 PolarHBondContact O-N 2.89Å; A165-E169 VanDerWaalsContact O-N 3.16Å
166K96.1Very high91Very high150 Ų15050.9 Ų50.965%0.65230%0.296SS*.Hα-helixtrans-63.5-48.4177.6-171.4-172.3-178.5-140.40111.3G164 L168 E169 E170G164-K166 VanDerWaalsContact C-N 3.3Å; G164-K166 PolarHBondContact O-N 3.49Å; K166-L168 VanDerWaalsContact C-N 3.25Å; K166-L168 PolarHBondContact O-N 3.05Å; K166-E169 PolarHBondContact O-N 3.33Å; K166-E169 VanDerWaalsContact O-N 3.08Å; K166-E170 WeakPolarHBondContact CE-OE1 3.05Å; K166-E170 IonicContact NZ-OE1 3.98Å; K166-E170 PolarHBondContact NZ-OE1 2.66Å; K166-E170 WeakPolarHBondContact O-CG 3.35Å; K166-E170 PolarHBondContact O-N 3.01Å
167D96.4Very high92.4Very high45 Ų4549.8 Ų49.824%0.24128%0.277CS..Hα-helixtrans-61-37.8179.7-50.3-52.3000111.5M163 G164 E170 A171 W178M163-D167 HydrophobicContact CE-CB 3.96Å; M163-D167 HydrophobicContact CG-CB 4.19Å; G164-D167 WeakPolarHBondContact CA-OD2 3.4Å; G164-D167 PolarHBondContact N-OD2 3.41Å; G164-D167 PolarHBondContact O-N 3.47Å; D167-E170 PolarHBondContact O-N 2.72Å; D167-A171 VanDerWaalsContact O-CB 3.25Å; D167-A171 WeakPolarHBondContact O-CB 3.48Å; D167-A171 PolarHBondContact O-N 3.24Å; D167-W178 HydrophobicContact CB-CZ2 3.9Å
168L97.3Very high93.5Very high4 Ų448.1 Ų48.12%0.02127%0.265CS..Hα-helixtrans-63.2-43.5174.3177.763.5000112.1M163 G164 A165 K166 E170 A171 L172 K212 L216 L265 Y316M163-L168 HydrophobicContact CG-CB 4.39Å; M163-L168 HydrophobicContact SD-CB 4.08Å; M163-L168 HydrophobicContact SD-CD1 4.17Å; G164-L168 PolarHBondContact O-N 3.01Å; A165-L168 PolarHBondContact O-N 3.28Å; K166-L168 VanDerWaalsContact C-N 3.25Å; K166-L168 PolarHBondContact O-N 3.05Å; L168-E170 VanDerWaalsContact C-N 3.34Å; L168-A171 PolarHBondContact O-N 2.81Å; L168-L172 HydrophobicContact CD1-CD1 4.42Å; L168-L172 HydrophobicContact CD1-CG 4.29Å; L168-L172 HydrophobicContact CG-CD1 4.19Å; L168-L172 HydrophobicContact CG-CG 4.49Å; L168-L172 WeakPolarHBondContact O-CB 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.41Å; L168-L172 PolarHBondContact O-N 2.99Å; L168-K212 HydrophobicContact CD2-CB 3.93Å; L168-K212 HydrophobicContact CD2-CG 4.3Å; L168-L216 HydrophobicContact CB-CD1 3.74Å; L168-L216 HydrophobicContact CD2-CB 3.88Å; L168-L216 HydrophobicContact CD2-CD1 3.81Å; L168-L216 HydrophobicContact CD2-CG 4.47Å; L168-L216 HydrophobicContact CG-CD1 4.34Å; L168-L265 HydrophobicContact CD1-CD1 4.29Å; L168-Y316 HydrophobicContact CD1-CD2 3.66Å; L168-Y316 HydrophobicContact CD1-CE2 3.74Å
169E97.8Very high94.2Very high86 Ų8641 Ų4140%0.40223%0.234SC..Hα-helixtrans-63.2-43.3177.7-65.2-151.916300111.8A165 K166 L172 E173 K212A165-E169 WeakPolarHBondContact O-CG 3.25Å; A165-E169 PolarHBondContact O-N 2.89Å; A165-E169 VanDerWaalsContact O-N 3.16Å; K166-E169 PolarHBondContact O-N 3.33Å; K166-E169 VanDerWaalsContact O-N 3.08Å; E169-L172 WeakPolarHBondContact O-CB 3.29Å; E169-L172 PolarHBondContact O-N 3.31Å; E169-E173 PolarHBondContact O-N 2.82Å; E169-K212 IonicContact OE1-NZ 2.74Å; E169-K212 PolarHBondContact OE1-NZ 3.04Å
170E97.8Very high95Very high38 Ų3842 Ų4218%0.17823%0.234CC..Hα-helixtrans-64.5-41.7176.3-66178.9-173.400111.3K166 D167 L168 L172 E173 M174 R181K166-E170 WeakPolarHBondContact CE-OE1 3.05Å; K166-E170 IonicContact NZ-OE1 3.98Å; K166-E170 PolarHBondContact NZ-OE1 2.66Å; K166-E170 WeakPolarHBondContact O-CG 3.35Å; K166-E170 PolarHBondContact O-N 3.01Å; D167-E170 PolarHBondContact O-N 2.72Å; L168-E170 VanDerWaalsContact C-N 3.34Å; E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.1Å; E170-E173 PolarHBondContact O-N 3.49Å; E170-E173 VanDerWaalsContact O-N 3.14Å; E170-M174 HydrophobicContact CB-SD 4.23Å; E170-M174 WeakPolarHBondContact O-CB 3.45Å; E170-M174 WeakPolarHBondContact O-CG 3.48Å; E170-M174 PolarHBondContact O-N 2.85Å; E170-R181 IonicContact OE2-CZ 3.88Å; E170-R181 IonicContact OE2-NH1 3.66Å; E170-R181 PolarHBondContact OE2-NH1 2.93Å; E170-R181 IonicContact OE2-NH2 3.26Å; E170-R181 PolarHBondContact OE2-NH2 3.09Å
171A98.1Very high95.6Very high0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-62-36.9175.100000112.8M163 D167 L168 E173 G175 W178 V319M163-A171 HydrophobicContact CE-CB 4.21Å; D167-A171 VanDerWaalsContact O-CB 3.25Å; D167-A171 WeakPolarHBondContact O-CB 3.48Å; D167-A171 PolarHBondContact O-N 3.24Å; L168-A171 PolarHBondContact O-N 2.81Å; A171-E173 VanDerWaalsContact C-N 3.3Å; A171-E173 PolarHBondContact O-N 2.93Å; A171-G175 PolarHBondContact O-N 2.86Å; A171-W178 HydrophobicContact CB-CB 4.48Å; A171-W178 HydrophobicContact CB-CD2 4Å; A171-W178 HydrophobicContact CB-CE3 4.29Å; A171-W178 HydrophobicContact CB-CG 4.07Å; A171-V319 HydrophobicContact CB-CG1 4.38Å; A171-V319 HydrophobicContact CB-CG2 4.25Å
172L98.7Very high96.1Very high0 Ų046.5 Ų46.50%024%0.243CC..Hα-helixtrans-66.1-31.6175.4-71.7170.7000112.3L168 E169 E170 A202 P204 V207 K212 L265 A312 N315 Y316L168-L172 HydrophobicContact CD1-CD1 4.42Å; L168-L172 HydrophobicContact CD1-CG 4.29Å; L168-L172 HydrophobicContact CG-CD1 4.19Å; L168-L172 HydrophobicContact CG-CG 4.49Å; L168-L172 WeakPolarHBondContact O-CB 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.41Å; L168-L172 PolarHBondContact O-N 2.99Å; E169-L172 WeakPolarHBondContact O-CB 3.29Å; E169-L172 PolarHBondContact O-N 3.31Å; E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.1Å; L172-A202 WeakPolarHBondContact O-CB 3.19Å; L172-P204 HydrophobicContact CB-CB 4.12Å; L172-P204 HydrophobicContact CB-CG 3.89Å; L172-P204 HydrophobicContact CD1-CB 4.27Å; L172-V207 HydrophobicContact CD1-CB 4.45Å; L172-V207 HydrophobicContact CD1-CG1 4.45Å; L172-V207 HydrophobicContact CD1-CG2 4.41Å; L172-K212 HydrophobicContact CD1-CG 4.34Å; L172-L265 HydrophobicContact CD2-CD1 3.92Å; L172-L265 HydrophobicContact CD2-CD2 4.09Å; L172-A312 HydrophobicContact CB-CB 4.22Å; L172-A312 HydrophobicContact CD2-CB 4.16Å; L172-A312 VanDerWaalsContact CD2-O 3.24Å; L172-A312 WeakPolarHBondContact CD2-O 3.31Å; L172-N315 VanDerWaalsContact O-CB 3.29Å; L172-N315 WeakPolarHBondContact O-CB 3.49Å; L172-N315 PolarHBondContact O-ND2 2.97Å; L172-Y316 HydrophobicContact CD2-CD2 4.5Å
173E98.4Very high96.6Very high101 Ų10144.3 Ų44.347%0.47224%0.238SC..Hα-helixtrans-89-42.2-179.4-175.5175.6178.500113.1E169 E170 A171 R198 P204 N315E169-E173 PolarHBondContact O-N 2.82Å; E170-E173 PolarHBondContact O-N 3.49Å; E170-E173 VanDerWaalsContact O-N 3.14Å; A171-E173 VanDerWaalsContact C-N 3.3Å; A171-E173 PolarHBondContact O-N 2.93Å; E173-R198 PolarHBondContact O-NE 2.77Å; E173-P204 HydrophobicContact CB-CG 3.91Å; E173-N315 PolarHBondContact O-ND2 3.36Å
174M98.3Very high97Very high42 Ų4244.7 Ų44.721%0.20724%0.238CC..Hα-helixtrans-92.9-20.3-170-64.1178.964.600113.1E170 V176 D177 W178 R181 R198E170-M174 HydrophobicContact CB-SD 4.23Å; E170-M174 WeakPolarHBondContact O-CB 3.45Å; E170-M174 WeakPolarHBondContact O-CG 3.48Å; E170-M174 PolarHBondContact O-N 2.85Å; M174-V176 PolarHBondContact O-N 3.07Å; M174-D177 HydrophobicContact CB-CB 4.15Å; M174-D177 HydrophobicContact CE-CB 4.13Å; M174-D177 WeakPolarHBondContact O-CB 3.44Å; M174-D177 PolarHBondContact O-N 3.15Å; M174-W178 HydrophobicContact CB-CB 3.96Å; M174-R181 PolarHBondContact SD-NH1 2.76Å; M174-R198 WeakPolarHBondContact O-CD 3.35Å; M174-R198 WeakPolarHBondContact O-CG 3.23Å
175G98.5Very high97.2Very high0 Ų043.9 Ų43.90%023%0.228CC..THydrogen-bonded Turntrans56.4-137.6-174.900000111.4A171 D177 W178 G197 V319A171-G175 PolarHBondContact O-N 2.86Å; G175-D177 PolarHBondContact O-N 3.49Å; G175-D177 VanDerWaalsContact O-N 3.1Å; G175-W178 WeakPolarHBondContact O-CB 3.45Å; G175-W178 PolarHBondContact O-N 3.14Å; G175-G197 WeakPolarHBondContact CA-O 3.39Å; G175-V319 WeakPolarHBondContact O-CG2 3.43Å
176V98.1Very high97.4Very high0 Ų043.6 Ų43.60%021%0.212CC..Hα-helixtrans-59.9-22.6-178.7176.20000113.2M174 W178 S179 L180 A185 K190 G197 W318M174-V176 PolarHBondContact O-N 3.07Å; V176-W178 PolarHBondContact O-N 3.26Å; V176-S179 WeakPolarHBondContact O-CA 3.44Å; V176-S179 WeakPolarHBondContact O-CB 3.5Å; V176-S179 PolarHBondContact O-N 3.24Å; V176-L180 HydrophobicContact CG1-CG 4.37Å; V176-L180 PolarHBondContact O-N 3.09Å; V176-A185 HydrophobicContact CG1-CB 4.39Å; V176-K190 HydrophobicContact CG1-CB 4.21Å; V176-G197 PolarHBondContact N-O 2.73Å; V176-W318 HydrophobicContact CG2-CB 3.8Å
177D98.2Very high97.4Very high31 Ų3139.4 Ų39.417%0.16621%0.205CC..Hα-helixtrans-59.2-31.5173.4-67.6-34.1000112M174 G175 R181 K190 R198M174-D177 HydrophobicContact CB-CB 4.15Å; M174-D177 HydrophobicContact CE-CB 4.13Å; M174-D177 WeakPolarHBondContact O-CB 3.44Å; M174-D177 PolarHBondContact O-N 3.15Å; G175-D177 PolarHBondContact O-N 3.49Å; G175-D177 VanDerWaalsContact O-N 3.1Å; D177-R181 WeakPolarHBondContact O-CB 3.44Å; D177-R181 PolarHBondContact O-N 3.21Å; D177-R181 VanDerWaalsContact O-N 3.13Å; D177-K190 WeakPolarHBondContact OD1-CD 3.27Å; D177-K190 VanDerWaalsContact OD1-CE 3.3Å; D177-K190 WeakPolarHBondContact OD1-CE 3.48Å; D177-K190 IonicContact OD1-NZ 3.63Å; D177-K190 PolarHBondContact OD1-NZ 2.94Å; D177-K190 IonicContact OD2-NZ 2.65Å; D177-R198 WeakPolarHBondContact OD2-CD 3.27Å; D177-R198 IonicContact OD2-NH1 3.58Å; D177-R198 PolarHBondContact OD2-NH1 2.94Å; D177-R198 VanDerWaalsContact OD2-NH1 3.14Å
178W97.9Very high97.4Very high2 Ų241.9 Ų41.91%0.00822%0.215CC..Hα-helixtrans-66.5-47.4171.9179.788.8000110.9I161 M163 D167 A171 M174 G175 V176 L180 R181 E182 Y184 L219 V319I161-W178 HydrophobicContact CG2-CH2 4.12Å; M163-W178 HydrophobicContact CE-CH2 3.4Å; M163-W178 VanDerWaalsContact CE-CH2 3.4Å; M163-W178 HydrophobicContact CE-CZ2 3.46Å; M163-W178 VanDerWaalsContact CE-CZ2 3.46Å; M163-W178 HydrophobicContact CE-CZ3 4.01Å; D167-W178 HydrophobicContact CB-CZ2 3.9Å; A171-W178 HydrophobicContact CB-CB 4.48Å; A171-W178 HydrophobicContact CB-CD2 4Å; A171-W178 HydrophobicContact CB-CE3 4.29Å; A171-W178 HydrophobicContact CB-CG 4.07Å; M174-W178 HydrophobicContact CB-CB 3.96Å; G175-W178 WeakPolarHBondContact O-CB 3.45Å; G175-W178 PolarHBondContact O-N 3.14Å; V176-W178 PolarHBondContact O-N 3.26Å; W178-L180 VanDerWaalsContact C-N 3.28Å; W178-L180 PolarHBondContact O-N 3.4Å; W178-R181 PolarHBondContact O-N 3.45Å; W178-R181 VanDerWaalsContact O-N 3.17Å; W178-E182 HydrophobicContact CD2-CG 3.99Å; W178-E182 HydrophobicContact CE3-CG 4.44Å; W178-E182 HydrophobicContact CG-CG 4.48Å; W178-E182 HydrophobicContact CH2-CG 4.15Å; W178-E182 HydrophobicContact CZ2-CG 3.68Å; W178-E182 WeakPolarHBondContact O-CG 3.42Å; W178-E182 PolarHBondContact O-N 2.87Å; W178-Y184 HydrophobicContact CH2-CD2 4.19Å; W178-Y184 HydrophobicContact CH2-CE2 4.02Å; W178-Y184 HydrophobicContact CZ3-CD2 4.02Å; W178-Y184 HydrophobicContact CZ3-CE2 4.33Å; W178-L219 HydrophobicContact CH2-CD2 4.35Å; W178-L219 HydrophobicContact CZ3-CD2 4.17Å; W178-V319 HydrophobicContact CE3-CG1 3.57Å; W178-V319 HydrophobicContact CZ3-CG1 3.71Å
179S97.1Very high97.4Very high0 Ų041.8 Ų41.80%022%0.215CC..Hα-helixtrans-59.5-38.1177.7-63.40000112.4V176 G183 Y184 A185V176-S179 WeakPolarHBondContact O-CA 3.44Å; V176-S179 WeakPolarHBondContact O-CB 3.5Å; V176-S179 PolarHBondContact O-N 3.24Å; S179-G183 PolarHBondContact O-N 3.09Å; S179-G183 VanDerWaalsContact O-N 3.15Å; S179-Y184 PolarHBondContact O-N 2.99Å; S179-A185 PolarHBondContact O-N 3.12Å
180L97.1Very high97.3Very high49 Ų4940 Ų4026%0.25721%0.206SC..Hα-helixtrans-62.7-49.3174.5-72172.9000111.6V176 W178 E182 G183 A185 W186 K190V176-L180 HydrophobicContact CG1-CG 4.37Å; V176-L180 PolarHBondContact O-N 3.09Å; W178-L180 VanDerWaalsContact C-N 3.28Å; W178-L180 PolarHBondContact O-N 3.4Å; L180-E182 VanDerWaalsContact C-N 3.29Å; L180-E182 PolarHBondContact O-N 3.31Å; L180-G183 PolarHBondContact O-N 3.12Å; L180-G183 VanDerWaalsContact O-N 3.13Å; L180-A185 HydrophobicContact CD2-CB 3.72Å; L180-A185 HydrophobicContact CG-CB 4.12Å; L180-W186 VanDerWaalsContact CD2-O 3.23Å; L180-W186 WeakPolarHBondContact CD2-O 3.29Å; L180-K190 HydrophobicContact CD1-CB 4.14Å; L180-K190 HydrophobicContact CD1-CD 3.86Å
181R97.1Very high97.3Very high120 Ų12042.5 Ų42.545%0.45322%0.218SC..Hα-helixtrans-61.4-38.3-178.8-170.4-172.368-166.1-1.3112.3E170 M174 D177 W178 G183E170-R181 IonicContact OE2-CZ 3.88Å; E170-R181 IonicContact OE2-NH1 3.66Å; E170-R181 PolarHBondContact OE2-NH1 2.93Å; E170-R181 IonicContact OE2-NH2 3.26Å; E170-R181 PolarHBondContact OE2-NH2 3.09Å; M174-R181 PolarHBondContact SD-NH1 2.76Å; D177-R181 WeakPolarHBondContact O-CB 3.44Å; D177-R181 PolarHBondContact O-N 3.21Å; D177-R181 VanDerWaalsContact O-N 3.13Å; W178-R181 PolarHBondContact O-N 3.45Å; W178-R181 VanDerWaalsContact O-N 3.17Å; R181-G183 VanDerWaalsContact C-N 3.33Å
182E96.1Very high97.3Very high76 Ų7643.8 Ų43.836%0.35522%0.223SC..THydrogen-bonded Turntrans-84.4-3.6179.1-57.4-51.4130.900113.9W178 L180 Y184W178-E182 HydrophobicContact CD2-CG 3.99Å; W178-E182 HydrophobicContact CE3-CG 4.44Å; W178-E182 HydrophobicContact CG-CG 4.48Å; W178-E182 HydrophobicContact CH2-CG 4.15Å; W178-E182 HydrophobicContact CZ2-CG 3.68Å; W178-E182 WeakPolarHBondContact O-CG 3.42Å; W178-E182 PolarHBondContact O-N 2.87Å; L180-E182 VanDerWaalsContact C-N 3.29Å; L180-E182 PolarHBondContact O-N 3.31Å; E182-Y184 HydrophobicContact CB-CD2 3.55Å; E182-Y184 HydrophobicContact CB-CE2 3.43Å; E182-Y184 VanDerWaalsContact CB-CE2 3.43Å; E182-Y184 HydrophobicContact CG-CE2 4.31Å
183G95.3Very high97.2Very high50 Ų5044 Ų4452%0.51523%0.225SC..THydrogen-bonded Turntrans82.718.8177.600000115.6S179 L180 R181S179-G183 PolarHBondContact O-N 3.09Å; S179-G183 VanDerWaalsContact O-N 3.15Å; L180-G183 PolarHBondContact O-N 3.12Å; L180-G183 VanDerWaalsContact O-N 3.13Å; R181-G183 VanDerWaalsContact C-N 3.33Å
184Y95.6Very high97.2Very high43 Ų4339.2 Ų39.217%0.16920%0.203CC..SBendtrans-98.19.7177.3-53.7-56.9000113.9I161 W178 S179 E182 F326I161-Y184 HydrophobicContact CD1-CD1 4.11Å; I161-Y184 HydrophobicContact CD1-CD2 4.29Å; I161-Y184 HydrophobicContact CD1-CE1 4.38Å; I161-Y184 HydrophobicContact CD1-CG 4.08Å; I161-Y184 HydrophobicContact CG1-CE1 4.34Å; I161-Y184 HydrophobicContact CG2-CD2 4.09Å; I161-Y184 HydrophobicContact CG2-CE1 4.3Å; I161-Y184 HydrophobicContact CG2-CE2 3.49Å; I161-Y184 VanDerWaalsContact CG2-CE2 3.49Å; W178-Y184 HydrophobicContact CH2-CD2 4.19Å; W178-Y184 HydrophobicContact CH2-CE2 4.02Å; W178-Y184 HydrophobicContact CZ3-CD2 4.02Å; W178-Y184 HydrophobicContact CZ3-CE2 4.33Å; S179-Y184 PolarHBondContact O-N 2.99Å; E182-Y184 HydrophobicContact CB-CD2 3.55Å; E182-Y184 HydrophobicContact CB-CE2 3.43Å; E182-Y184 VanDerWaalsContact CB-CE2 3.43Å; E182-Y184 HydrophobicContact CG-CE2 4.31Å; Y184-F326 HydrophobicContact CD1-CD1 4.03Å; Y184-F326 HydrophobicContact CD1-CD2 4.44Å; Y184-F326 HydrophobicContact CD1-CE1 4.1Å; Y184-F326 HydrophobicContact CD1-CG 4.21Å; Y184-F326 HydrophobicContact CD1-CZ 4.34Å; Y184-F326 HydrophobicContact CE1-CE1 4.46Å
185A97.1Very high97.2Very high12 Ų1240 Ų4010%0.09921%0.206CC..SBendtrans-148.3152.717800000110.4V176 S179 L180 S322V176-A185 HydrophobicContact CG1-CB 4.39Å; S179-A185 PolarHBondContact O-N 3.12Å; L180-A185 HydrophobicContact CD2-CB 3.72Å; L180-A185 HydrophobicContact CG-CB 4.12Å; A185-S322 WeakPolarHBondContact CB-OG 3.41Å
186W98Very high97.2Very high66 Ų6644.6 Ų44.625%0.2522%0.224CC..  trans-89.6152.1166.1-59.1-19.7000110L180 E188 D189 R329 P340 M345 H346L180-W186 VanDerWaalsContact CD2-O 3.23Å; L180-W186 WeakPolarHBondContact CD2-O 3.29Å; W186-E188 WeakPolarHBondContact CB-OE2 3.48Å; W186-E188 PolarHBondContact O-N 2.89Å; W186-D189 PolarHBondContact N-OD2 3.48Å; W186-D189 VanDerWaalsContact O-CB 3.29Å; W186-D189 WeakPolarHBondContact O-CB 3.2Å; W186-D189 PolarHBondContact O-N 3.03Å; W186-R329 VanDerWaalsContact CD2-CZ 3.43Å; W186-R329 VanDerWaalsContact CE3-CZ 3.41Å; W186-P340 HydrophobicContact CH2-CB 4.15Å; W186-P340 HydrophobicContact CZ2-CB 3.95Å; W186-M345 WeakPolarHBondContact CZ3-O 3.38Å; W186-H346 AromaticContact CE3-ND1 3.93Å; W186-H346 AromaticContact CZ3-CE1 3.76Å; W186-H346 AromaticContact CZ3-ND1 3.8Å
187A96.4Very high97.2Very high63 Ų6344.6 Ų44.652%0.52122%0.224SC..Hα-helixtrans-56.3-38.4-177.300000111.8D189 K190A187-D189 VanDerWaalsContact C-N 3.3Å; A187-D189 PolarHBondContact O-N 3.17Å; A187-K190 WeakPolarHBondContact O-CB 3.38Å; A187-K190 PolarHBondContact O-N 3.2Å
188E96.4Very high97.2Very high97 Ų9746.3 Ų46.345%0.45323%0.228SC..Hα-helixtrans-71.2-22.5-178.9-5574.4-162.200112.8W186 K190 E191 H192W186-E188 WeakPolarHBondContact CB-OE2 3.48Å; W186-E188 PolarHBondContact O-N 2.89Å; E188-K190 PolarHBondContact O-N 3.08Å; E188-E191 PolarHBondContact O-N 2.84Å; E188-H192 PolarHBondContact O-N 3.07Å; E188-H192 PolarHBondContact O-ND1 3.48Å
189D97.9Very high97.2Very high1 Ų146.3 Ų46.31%0.00523%0.228CC..Hα-helixtrans-63.5-32.9176.4-64.8-26.2000110.8W186 A187 C193 R329 V347W186-D189 PolarHBondContact N-OD2 3.48Å; W186-D189 VanDerWaalsContact O-CB 3.29Å; W186-D189 WeakPolarHBondContact O-CB 3.2Å; W186-D189 PolarHBondContact O-N 3.03Å; A187-D189 VanDerWaalsContact C-N 3.3Å; A187-D189 PolarHBondContact O-N 3.17Å; D189-C193 PolarHBondContact O-N 3.24Å; D189-R329 IonicContact OD1-CZ 2.62Å; D189-R329 IonicContact OD1-NH1 3.65Å; D189-R329 IonicContact OD1-NH2 3.5Å; D189-R329 PolarHBondContact OD1-NH2 3.41Å; D189-R329 IonicContact OD2-CZ 2.7Å; D189-R329 IonicContact OD2-NH1 3.15Å; D189-R329 PolarHBondContact OD2-NH1 3.17Å; D189-R329 IonicContact OD2-NH2 2.92Å; D189-R329 PolarHBondContact OD2-NH2 2.8Å; D189-V347 HydrophobicContact CB-CG2 4.19Å; D189-V347 VanDerWaalsContact OD1-CG2 3.3Å; D189-V347 WeakPolarHBondContact OD1-CG2 3.4Å
190K95.9Very high97.2Very high48 Ų4852.8 Ų52.821%0.20926%0.262CS..Hα-helixtrans-68.4-43.1177.6-177.3-173.8169.6175.20111.3V176 D177 L180 A187 E188 H192 C193 Y196V176-K190 HydrophobicContact CG1-CB 4.21Å; D177-K190 WeakPolarHBondContact OD1-CD 3.27Å; D177-K190 VanDerWaalsContact OD1-CE 3.3Å; D177-K190 WeakPolarHBondContact OD1-CE 3.48Å; D177-K190 IonicContact OD1-NZ 3.63Å; D177-K190 PolarHBondContact OD1-NZ 2.94Å; D177-K190 IonicContact OD2-NZ 2.65Å; L180-K190 HydrophobicContact CD1-CB 4.14Å; L180-K190 HydrophobicContact CD1-CD 3.86Å; A187-K190 WeakPolarHBondContact O-CB 3.38Å; A187-K190 PolarHBondContact O-N 3.2Å; E188-K190 PolarHBondContact O-N 3.08Å; K190-H192 PolarHBondContact O-N 3Å; K190-C193 WeakPolarHBondContact O-CB 3.33Å; K190-C193 PolarHBondContact O-N 3.43Å; K190-C193 VanDerWaalsContact O-N 3.08Å; K190-Y196 VanDerWaalsContact CG-O 3.23Å; K190-Y196 WeakPolarHBondContact CG-O 3.32Å; K190-Y196 WeakPolarHBondContact O-CA 3.39Å
191E96.5Very high97.2Very high92 Ų9254.6 Ų54.643%0.4327%0.269SS..Hα-helixtrans-62.3-29.6179.2-61.7-60.3129.900111.8E188 C193 Y196 P389E188-E191 PolarHBondContact O-N 2.84Å; E191-C193 VanDerWaalsContact C-N 3.35Å; E191-Y196 WeakPolarHBondContact OE2-CE1 3.31Å; E191-P389 VanDerWaalsContact O-CG 3.25Å; E191-P389 WeakPolarHBondContact O-CG 3.14Å
192H98.1Very high97.3Very high26 Ų2649.6 Ų49.612%0.1225%0.253CS..THydrogen-bonded Turntrans-97.123.1177.2-6391.6000113.1E188 K190 V347 I348 Y349 D350 D391 Y392E188-H192 PolarHBondContact O-N 3.07Å; E188-H192 PolarHBondContact O-ND1 3.48Å; K190-H192 PolarHBondContact O-N 3Å; H192-V347 HydrophobicContact CB-CB 4.36Å; H192-V347 HydrophobicContact CB-CG1 3.97Å; H192-I348 PolarHBondContact CD2-O 2.98Å; H192-Y349 HydrophobicContact CB-CD2 4.43Å; H192-Y349 CarbonylContact O-C 3.5Å; H192-Y349 WeakPolarHBondContact O-CA 3.49Å; H192-Y349 WeakPolarHBondContact O-CD2 3.27Å; H192-D350 PolarHBondContact O-N 2.9Å; H192-D391 IonicContact NE2-OD2 3.7Å; H192-Y392 AromaticContact CD2-CE2 3.62Å; H192-Y392 AromaticContact CD2-CZ 3.83Å
193C98.3Very high97.4Very high5 Ų547.6 Ų47.63%0.03425%0.245CC..BIsolated β-bridgetrans-116.3135.2177.6-165.10000110.4D189 K190 E191 E195 Y196 G197 D350D189-C193 PolarHBondContact O-N 3.24Å; K190-C193 WeakPolarHBondContact O-CB 3.33Å; K190-C193 PolarHBondContact O-N 3.43Å; K190-C193 VanDerWaalsContact O-N 3.08Å; E191-C193 VanDerWaalsContact C-N 3.35Å; C193-E195 PolarHBondContact O-N 2.96Å; C193-Y196 VanDerWaalsContact O-CA 3.31Å; C193-Y196 WeakPolarHBondContact O-CA 2.81Å; C193-Y196 PolarHBondContact O-N 2.99Å; C193-G197 WeakPolarHBondContact SG-CA 3.18Å; C193-D350 HydrophobicContact CB-CB 4.28Å
194E98.4Very high97.6Very high1 Ų145.7 Ų45.71%0.00522%0.223CC..G310 helixtrans-54.5135.2171.7-176.4175.4-16000111Y196 G197 W318 D350 V351 S352 K357 R379E194-Y196 PolarHBondContact O-N 3.01Å; E194-G197 PolarHBondContact O-N 2.81Å; E194-W318 HydrophobicContact CB-CZ2 4.44Å; E194-W318 VanDerWaalsContact O-CZ2 3.26Å; E194-W318 WeakPolarHBondContact O-CZ2 3.28Å; E194-D350 VanDerWaalsContact CB-O 3.22Å; E194-D350 WeakPolarHBondContact CB-O 3.41Å; E194-D350 PolarHBondContact N-O 3.37Å; E194-V351 WeakPolarHBondContact OE2-CG2 3.37Å; E194-S352 VanDerWaalsContact OE2-CB 3.25Å; E194-S352 WeakPolarHBondContact OE2-CB 3.43Å; E194-S352 PolarHBondContact OE2-N 2.8Å; E194-K357 IonicContact OE1-NZ 3.16Å; E194-K357 PolarHBondContact OE1-NZ 2.8Å; E194-K357 IonicContact OE2-NZ 3.67Å; E194-R379 WeakPolarHBondContact OE1-CB 2.92Å; E194-R379 WeakPolarHBondContact OE1-CD 3.45Å; E194-R379 IonicContact OE1-CZ 3.07Å; E194-R379 IonicContact OE1-NE 3.06Å; E194-R379 PolarHBondContact OE1-NE 3.13Å; E194-R379 IonicContact OE1-NH1 3.37Å; E194-R379 IonicContact OE1-NH2 3.83Å
195E97.6Very high97.7Very high59 Ų5949.7 Ų49.728%0.27625%0.248SC..G310 helixtrans56.923.3-169.6-52.5-54.113500114.5C193 G197 R198 M199 W318 K357 R379C193-E195 PolarHBondContact O-N 2.96Å; E195-G197 PolarHBondContact O-N 2.72Å; E195-R198 PolarHBondContact O-N 3.37Å; E195-R198 VanDerWaalsContact O-O 3.08Å; E195-M199 HydrophobicContact CG-CG 4.19Å; E195-W318 HydrophobicContact CB-CH2 3.8Å; E195-W318 HydrophobicContact CB-CZ2 4.22Å; E195-W318 HydrophobicContact CB-CZ3 4.39Å; E195-W318 HydrophobicContact CG-CH2 3.73Å; E195-W318 HydrophobicContact CG-CZ2 4.18Å; E195-K357 VanDerWaalsContact CG-NZ 3.28Å; E195-K357 IonicContact OE1-NZ 3.73Å; E195-K357 PolarHBondContact OE1-NZ 2.85Å; E195-R379 IonicContact OE1-CZ 3.47Å; E195-R379 IonicContact OE1-NH1 2.73Å; E195-R379 PolarHBondContact OE1-NH1 3.37Å
196Y97.4Very high97.7Very high95 Ų9552.7 Ų52.737%0.37326%0.259SS..G310 helixtrans52.630.3-169.5-60.1-89.9000111.9K190 E191 C193 E194 R198K190-Y196 VanDerWaalsContact CG-O 3.23Å; K190-Y196 WeakPolarHBondContact CG-O 3.32Å; K190-Y196 WeakPolarHBondContact O-CA 3.39Å; E191-Y196 WeakPolarHBondContact OE2-CE1 3.31Å; C193-Y196 VanDerWaalsContact O-CA 3.31Å; C193-Y196 WeakPolarHBondContact O-CA 2.81Å; C193-Y196 PolarHBondContact O-N 2.99Å; E194-Y196 PolarHBondContact O-N 3.01Å; Y196-R198 VanDerWaalsContact C-N 3.25Å; Y196-R198 PolarHBondContact O-N 2.89Å
197G98.1Very high97.8Very high0 Ų049.8 Ų49.80%025%0.248CC..G310 helixtrans66.518.6-177.800000115.6G175 V176 C193 E194 E195 W318G175-G197 WeakPolarHBondContact CA-O 3.39Å; V176-G197 PolarHBondContact N-O 2.73Å; C193-G197 WeakPolarHBondContact SG-CA 3.18Å; E194-G197 PolarHBondContact O-N 2.81Å; E195-G197 PolarHBondContact O-N 2.72Å; G197-W318 VanDerWaalsContact C-CE3 3.44Å
198R98.3Very high97.9Very high67 Ų6748.5 Ų48.525%0.25324%0.236SC..  trans-150.8120.7-179-174.2-172-178.9-171.6-7.4113.3E173 M174 D177 E195 Y196 L200 N315E173-R198 PolarHBondContact O-NE 2.77Å; M174-R198 WeakPolarHBondContact O-CD 3.35Å; M174-R198 WeakPolarHBondContact O-CG 3.23Å; D177-R198 WeakPolarHBondContact OD2-CD 3.27Å; D177-R198 IonicContact OD2-NH1 3.58Å; D177-R198 PolarHBondContact OD2-NH1 2.94Å; D177-R198 VanDerWaalsContact OD2-NH1 3.14Å; E195-R198 PolarHBondContact O-N 3.37Å; E195-R198 VanDerWaalsContact O-O 3.08Å; Y196-R198 VanDerWaalsContact C-N 3.25Å; Y196-R198 PolarHBondContact O-N 2.89Å; R198-L200 HydrophobicContact CG-CD2 4.46Å; R198-N315 WeakPolarHBondContact CA-OD1 3.28Å
199M98.2Very high98Very high3 Ų348.8 Ų48.82%0.01525%0.248CC..  trans-86.9115.1164.8-73.2173.579.800110.1E195 Q201 A202 M310 A311 N315 W318 I355E195-M199 HydrophobicContact CG-CG 4.19Å; M199-Q201 VanDerWaalsContact C-N 3.28Å; M199-Q201 PolarHBondContact O-N 2.94Å; M199-A202 VanDerWaalsContact O-CB 3.3Å; M199-A202 WeakPolarHBondContact O-CB 3.27Å; M199-A202 PolarHBondContact O-N 2.87Å; M199-M310 HydrophobicContact CE-CE 3.97Å; M199-A311 HydrophobicContact CB-CB 3.76Å; M199-A311 HydrophobicContact CE-CB 3.97Å; M199-A311 HydrophobicContact SD-CB 4.24Å; M199-N315 PolarHBondContact N-OD1 2.9Å; M199-N315 PolarHBondContact O-ND2 3.5Å; M199-W318 HydrophobicContact CB-CZ3 4.41Å; M199-W318 HydrophobicContact CG-CH2 3.79Å; M199-W318 HydrophobicContact CG-CZ3 3.71Å; M199-W318 HydrophobicContact SD-CH2 3.99Å; M199-W318 HydrophobicContact SD-CZ3 4.11Å; M199-I355 HydrophobicContact SD-CD1 3.96Å; M199-I355 HydrophobicContact SD-CG1 4.27Å
200L97.4Very high98Very high136 Ų13654.7 Ų54.771%0.71227%0.274SS*.THydrogen-bonded Turntrans-67-25.3-173.2-64.1177.6000114.1R198 A202R198-L200 HydrophobicContact CG-CD2 4.46Å; L200-A202 PolarHBondContact O-N 3.21Å
201Q97.4Very high98.1Very high87 Ų8752.4 Ų52.441%0.40726%0.264SS..THydrogen-bonded Turntrans-80.73.9178.773.2-83.633.400113.6M199 D203 K308 A311M199-Q201 VanDerWaalsContact C-N 3.28Å; M199-Q201 PolarHBondContact O-N 2.94Å; Q201-D203 PolarHBondContact O-N 3.49Å; Q201-K308 WeakPolarHBondContact O-CG 3.37Å; Q201-A311 HydrophobicContact CG-CB 3.83Å
202A98.7Very high98.2Very high14 Ų1449.6 Ų49.612%0.11625%0.25CS..  trans-58.6134.8176.300000111.3L172 M199 L200 A311 A312 N315L172-A202 WeakPolarHBondContact O-CB 3.19Å; M199-A202 VanDerWaalsContact O-CB 3.3Å; M199-A202 WeakPolarHBondContact O-CB 3.27Å; M199-A202 PolarHBondContact O-N 2.87Å; L200-A202 PolarHBondContact O-N 3.21Å; A202-A311 HydrophobicContact CB-CB 4.01Å; A202-A312 HydrophobicContact CB-CB 4.05Å; A202-N315 WeakPolarHBondContact CB-ND2 3.24Å
203D98.6Very high98.1Very high34 Ų3456.5 Ų56.518%0.18228%0.28CS..  trans-130.7104.7173.8-176.3-9.1000108.8Q201 N205 K206 K308Q201-D203 PolarHBondContact O-N 3.49Å; D203-N205 PolarHBondContact O-N 3.47Å; D203-N205 VanDerWaalsContact O-N 3.08Å; D203-N205 WeakPolarHBondContact OD1-CB 3.46Å; D203-N205 PolarHBondContact OD1-N 3.46Å; D203-N205 PolarHBondContact OD1-ND2 2.79Å; D203-K206 HydrophobicContact CB-CB 4.47Å; D203-K206 HydrophobicContact CB-CG 3.85Å; D203-K206 PolarHBondContact O-N 2.97Å; D203-K206 WeakPolarHBondContact OD2-CE 3.42Å; D203-K308 HydrophobicContact CB-CB 3.8Å; D203-K308 HydrophobicContact CB-CD 4.03Å; D203-K308 HydrophobicContact CB-CG 4.34Å; D203-K308 PolarHBondContact N-O 3.47Å
204P98.4Very high98Very high10 Ų1060.3 Ų60.37%0.06529%0.293CS..G310 helixtrans-58-20177.6-24.733.8000113.9L172 E173 K206 V207 K212L172-P204 HydrophobicContact CB-CB 4.12Å; L172-P204 HydrophobicContact CB-CG 3.89Å; L172-P204 HydrophobicContact CD1-CB 4.27Å; E173-P204 HydrophobicContact CB-CG 3.91Å; P204-K206 PolarHBondContact O-N 2.85Å; P204-V207 PolarHBondContact O-N 3.04Å; P204-K212 WeakPolarHBondContact O-CE 3.15Å; P204-K212 PolarHBondContact O-NZ 2.98Å
205N98.3Very high97.8Very high127 Ų12760.2 Ų60.268%0.67929%0.293SS*.G310 helixtrans-73.7-17.9175.9-58.4-63000112.7D203 V207D203-N205 PolarHBondContact O-N 3.47Å; D203-N205 VanDerWaalsContact O-N 3.08Å; D203-N205 WeakPolarHBondContact OD1-CB 3.46Å; D203-N205 PolarHBondContact OD1-N 3.46Å; D203-N205 PolarHBondContact OD1-ND2 2.79Å; N205-V207 VanDerWaalsContact C-N 3.3Å
206K98.5Very high97.7Very high76 Ų7660.1 Ų60.133%0.3329%0.294SS..G310 helixtrans-88.5-0.9174.5-52.9-53.8178.2162.20112.8D203 P204 D305 K308D203-K206 HydrophobicContact CB-CB 4.47Å; D203-K206 HydrophobicContact CB-CG 3.85Å; D203-K206 PolarHBondContact O-N 2.97Å; D203-K206 WeakPolarHBondContact OD2-CE 3.42Å; P204-K206 PolarHBondContact O-N 2.85Å; K206-D305 HydrophobicContact CD-CB 4.23Å; K206-D305 VanDerWaalsContact CD-OD1 3.25Å; K206-D305 WeakPolarHBondContact CD-OD1 3.49Å; K206-D305 WeakPolarHBondContact CE-OD1 3.33Å; K206-D305 IonicContact NZ-OD1 2.7Å; K206-D305 PolarHBondContact NZ-OD1 2.84Å; K206-D305 IonicContact NZ-OD2 2.72Å; K206-K308 HydrophobicContact CB-CB 4.3Å; K206-K308 HydrophobicContact CG-CB 3.99Å; K206-K308 HydrophobicContact CG-CD 4.32Å
207V98.7Very high97.5Very high4 Ų458 Ų582%0.02429%0.292CS..SBendtrans-96.4118.8172-175.10000109L172 P204 N205 A211 K212 L265 V269 A312L172-V207 HydrophobicContact CD1-CB 4.45Å; L172-V207 HydrophobicContact CD1-CG1 4.45Å; L172-V207 HydrophobicContact CD1-CG2 4.41Å; P204-V207 PolarHBondContact O-N 3.04Å; N205-V207 VanDerWaalsContact C-N 3.3Å; V207-A211 HydrophobicContact CG1-CB 3.69Å; V207-K212 HydrophobicContact CB-CG 4.43Å; V207-K212 HydrophobicContact CG1-CG 3.88Å; V207-K212 WeakPolarHBondContact O-CE 3.47Å; V207-L265 HydrophobicContact CG1-CD1 4.49Å; V207-L265 HydrophobicContact CG1-CD2 4.21Å; V207-L265 HydrophobicContact CG1-CG 4.33Å; V207-V269 HydrophobicContact CG1-CG2 4.01Å; V207-V269 HydrophobicContact CG2-CG2 4.46Å; V207-A312 HydrophobicContact CG2-CB 3.55Å
208S98.5Very high97.4Very high37 Ų3759.6 Ų59.626%0.25930%0.299SS..  trans-62.2153.2-176.273.50000112.6K210 A211 K212 D272S208-K210 PolarHBondContact O-N 3.37Å; S208-A211 WeakPolarHBondContact O-CB 3.05Å; S208-A211 PolarHBondContact O-N 2.75Å; S208-A211 WeakPolarHBondContact OG-CB 3.48Å; S208-A211 PolarHBondContact OG-N 3.29Å; S208-A211 VanDerWaalsContact OG-N 3.08Å; S208-K212 PolarHBondContact O-N 3.12Å; S208-D272 WeakPolarHBondContact CB-OD2 3.28Å; S208-D272 PolarHBondContact OG-OD2 3.06Å
209S98Very high97.1Very high103 Ų10356.5 Ų56.572%0.7229%0.288SS*.Hα-helixtrans-56.5-33.5173.858.90000112.2K213S209-K213 VanDerWaalsContact O-CB 3.26Å; S209-K213 WeakPolarHBondContact O-CB 3.15Å; S209-K213 PolarHBondContact O-N 2.93Å
210K98.3Very high96.9Very high124 Ų12456.4 Ų56.454%0.53929%0.287SS..Hα-helixtrans-65.6-43.8174.1-172.5179.8176.3-171.50111.8S208 K213 R214 Q268S208-K210 PolarHBondContact O-N 3.37Å; K210-K213 PolarHBondContact O-N 2.84Å; K210-R214 WeakPolarHBondContact O-CG 3.15Å; K210-R214 PolarHBondContact O-N 2.85Å; K210-R214 VanDerWaalsContact O-N 3.09Å; K210-Q268 HydrophobicContact CB-CG 4.31Å; K210-Q268 HydrophobicContact CD-CG 4.23Å; K210-Q268 VanDerWaalsContact CE-OE1 3.25Å; K210-Q268 HydrophobicContact CG-CG 4.04Å
211A98.4Very high96.8Very high0 Ų050 Ų500%025%0.254CS..Hα-helixtrans-64-46.7176.300000111.2V207 S208 K213 R214 G215 L265 Q268 V269V207-A211 HydrophobicContact CG1-CB 3.69Å; S208-A211 WeakPolarHBondContact O-CB 3.05Å; S208-A211 PolarHBondContact O-N 2.75Å; S208-A211 WeakPolarHBondContact OG-CB 3.48Å; S208-A211 PolarHBondContact OG-N 3.29Å; S208-A211 VanDerWaalsContact OG-N 3.08Å; A211-K213 PolarHBondContact O-N 3.11Å; A211-R214 PolarHBondContact O-N 2.81Å; A211-G215 PolarHBondContact O-N 2.86Å; A211-L265 HydrophobicContact CB-CG 4.43Å; A211-Q268 HydrophobicContact CB-CB 3.69Å; A211-Q268 HydrophobicContact CB-CG 3.8Å; A211-V269 HydrophobicContact CB-CG2 4.11Å
212K98.3Very high96.6Very high33 Ų3345.8 Ų45.814%0.14323%0.234CC..Hα-helixtrans-58.2-46.7175-67.2-178.6180178.20111.7L168 E169 L172 P204 V207 S208 R214 G215 L216L168-K212 HydrophobicContact CD2-CB 3.93Å; L168-K212 HydrophobicContact CD2-CG 4.3Å; E169-K212 IonicContact OE1-NZ 2.74Å; E169-K212 PolarHBondContact OE1-NZ 3.04Å; L172-K212 HydrophobicContact CD1-CG 4.34Å; P204-K212 WeakPolarHBondContact O-CE 3.15Å; P204-K212 PolarHBondContact O-NZ 2.98Å; V207-K212 HydrophobicContact CB-CG 4.43Å; V207-K212 HydrophobicContact CG1-CG 3.88Å; V207-K212 WeakPolarHBondContact O-CE 3.47Å; S208-K212 PolarHBondContact O-N 3.12Å; K212-R214 VanDerWaalsContact C-N 3.28Å; K212-R214 PolarHBondContact O-N 2.79Å; K212-G215 PolarHBondContact O-N 3.2Å; K212-L216 WeakPolarHBondContact O-CB 3.46Å; K212-L216 PolarHBondContact O-N 3.44Å
213K96.7Very high96.3Very high171 Ų17145.1 Ų45.174%0.74323%0.229SC*.Hα-helixtrans-60.9-33.8177.5-174.1174.8-178.8176.50113.2S209 K210 A211 P217S209-K213 VanDerWaalsContact O-CB 3.26Å; S209-K213 WeakPolarHBondContact O-CB 3.15Å; S209-K213 PolarHBondContact O-N 2.93Å; K210-K213 PolarHBondContact O-N 2.84Å; A211-K213 PolarHBondContact O-N 3.11Å; K213-P217 WeakPolarHBondContact O-CD 3.07Å
214R95.6Very high95.7Very high85 Ų8544.5 Ų44.532%0.32123%0.229SC..Hα-helixtrans-75.1-40.1175.4-72.7179.968-171.7-3.9112.4K210 A211 K212 Q218K210-R214 WeakPolarHBondContact O-CG 3.15Å; K210-R214 PolarHBondContact O-N 2.85Å; K210-R214 VanDerWaalsContact O-N 3.09Å; A211-R214 PolarHBondContact O-N 2.81Å; K212-R214 VanDerWaalsContact C-N 3.28Å; K212-R214 PolarHBondContact O-N 2.79Å; R214-Q218 WeakPolarHBondContact O-CG 3.4Å; R214-Q218 PolarHBondContact O-OE1 3.25Å
215G95.2Very high95.1Very high0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-77.2-37-177.600000114.5A211 K212 Q218 Y316A211-G215 PolarHBondContact O-N 2.86Å; K212-G215 PolarHBondContact O-N 3.2Å; G215-Q218 PolarHBondContact O-N 3.05Å; G215-Y316 PolarHBondContact O-OH 3.18Å
216L95Very high94.6Very high56 Ų5640.9 Ų40.929%0.29321%0.212SC..G310 helixtrans-48.3-51.3-175.5-174.971000113.5M163 G164 L168 K212 Q218M163-L216 HydrophobicContact CG-CD1 3.72Å; M163-L216 HydrophobicContact SD-CD1 4.5Å; G164-L216 WeakPolarHBondContact O-CD1 3.44Å; L168-L216 HydrophobicContact CB-CD1 3.74Å; L168-L216 HydrophobicContact CD2-CB 3.88Å; L168-L216 HydrophobicContact CD2-CD1 3.81Å; L168-L216 HydrophobicContact CD2-CG 4.47Å; L168-L216 HydrophobicContact CG-CD1 4.34Å; K212-L216 WeakPolarHBondContact O-CB 3.46Å; K212-L216 PolarHBondContact O-N 3.44Å; L216-Q218 VanDerWaalsContact C-N 3.26Å; L216-Q218 PolarHBondContact O-N 2.65Å
217P94.1Very high94.4Very high52 Ų5237.4 Ų37.434%0.33820%0.196SC..G310 helixtrans-74.4-12.7179.829.2-34.6000114K158 G159 K213K158-P217 CarbonylContact C-O 3.59Å; K158-P217 WeakPolarHBondContact CA-O 3.37Å; K158-P217 HydrophobicContact CG-CB 4.19Å; G159-P217 PolarHBondContact N-O 3.47Å; K213-P217 WeakPolarHBondContact O-CD 3.07Å
218Q94.3Very high94.3Very high32 Ų3237.7 Ų37.715%0.1520%0.197CC..G310 helixtrans-1020.7-166.6-63.7-175-2000114.6R214 G215 L216 T221 R263 Y316R214-Q218 WeakPolarHBondContact O-CG 3.4Å; R214-Q218 PolarHBondContact O-OE1 3.25Å; G215-Q218 PolarHBondContact O-N 3.05Å; L216-Q218 VanDerWaalsContact C-N 3.26Å; L216-Q218 PolarHBondContact O-N 2.65Å; Q218-T221 WeakPolarHBondContact O-CB 3.39Å; Q218-T221 WeakPolarHBondContact O-CG2 3.14Å; Q218-T221 PolarHBondContact O-N 3.43Å; Q218-T221 PolarHBondContact O-OG1 3.42Å; Q218-R263 HydrophobicContact CB-CB 4.07Å; Q218-R263 HydrophobicContact CB-CG 4.27Å; Q218-Y316 VanDerWaalsContact C-OH 3.26Å
219L93.3Very high94.2Very high3 Ų336 Ų362%0.01619%0.185CC..THydrogen-bonded Turntrans-67.8141.1-179.5-17175.2000110.9G159 M163 W178 T221 Y316 V319 N320G159-L219 WeakPolarHBondContact CA-O 3.31Å; M163-L219 HydrophobicContact CE-CD2 3.15Å; M163-L219 HydrophobicContact CE-CG 4.49Å; M163-L219 HydrophobicContact SD-CB 3.95Å; M163-L219 HydrophobicContact SD-CD2 3.37Å; M163-L219 WeakPolarHBondContact SD-CD2 3.43Å; M163-L219 HydrophobicContact SD-CG 4.22Å; W178-L219 HydrophobicContact CH2-CD2 4.35Å; W178-L219 HydrophobicContact CZ3-CD2 4.17Å; L219-T221 VanDerWaalsContact C-N 3.29Å; L219-Y316 WeakPolarHBondContact CA-OH 3.43Å; L219-Y316 HydrophobicContact CB-CE2 4.14Å; L219-Y316 HydrophobicContact CD1-CD2 3.96Å; L219-Y316 HydrophobicContact CD1-CE1 4.32Å; L219-Y316 HydrophobicContact CD1-CE2 3.62Å; L219-Y316 HydrophobicContact CD1-CG 4.45Å; L219-Y316 HydrophobicContact CG-CE2 4.47Å; L219-Y316 PolarHBondContact N-OH 3.08Å; L219-Y316 VanDerWaalsContact N-OH 3.11Å; L219-V319 HydrophobicContact CD1-CB 4.2Å; L219-V319 HydrophobicContact CD1-CG1 3.81Å; L219-V319 HydrophobicContact CD2-CG1 3.74Å; L219-V319 HydrophobicContact CG-CG1 4.28Å; L219-N320 HydrophobicContact CD1-CB 4.01Å
220G93.6Very high94.2Very high0 Ų031.1 Ų31.10%015%0.151CC..THydrogen-bonded Turntrans71.625-176.300000112.7P152 N320P152-G220 WeakPolarHBondContact CD-O 3.41Å; G220-N320 VanDerWaalsContact CA-OD1 3.24Å; G220-N320 WeakPolarHBondContact CA-OD1 3.44Å; G220-N320 PolarHBondContact N-OD1 3.4Å
221T95.4Very high94.2Very high1 Ų125.2 Ų25.21%0.00613%0.125CC..  trans-117.1146.7176.972.80000111P152 Q218 L219 N320P152-T221 HydrophobicContact CB-CG2 3.93Å; P152-T221 HydrophobicContact CG-CG2 4.36Å; P152-T221 WeakPolarHBondContact O-CA 3.42Å; P152-T221 WeakPolarHBondContact O-CB 3.43Å; Q218-T221 WeakPolarHBondContact O-CB 3.39Å; Q218-T221 WeakPolarHBondContact O-CG2 3.14Å; Q218-T221 PolarHBondContact O-N 3.43Å; Q218-T221 PolarHBondContact O-OG1 3.42Å; L219-T221 VanDerWaalsContact C-N 3.29Å; T221-N320 PolarHBondContact N-OD1 2.92Å; T221-N320 PolarHBondContact O-ND2 2.9Å; T221-N320 VanDerWaalsContact O-ND2 3.09Å; T221-N320 PolarHBondContact O-OD1 2.84Å
222L93.8Very high94.2Very high0 Ų025.2 Ų25.20%013%0.125CC..  trans-70.7-48.8-178.5-174.966.6000111.4I151 P152 V153 H227 Y228 S260 M324 I503I151-L222 HydrophobicContact CG2-CB 4.06Å; P152-L222 PolarHBondContact O-N 2.68Å; V153-L222 HydrophobicContact CB-CD2 4.46Å; V153-L222 HydrophobicContact CG1-CB 3.94Å; V153-L222 HydrophobicContact CG1-CD2 3.61Å; V153-L222 HydrophobicContact CG1-CG 4.46Å; L222-H227 HydrophobicContact CD1-CB 4.38Å; L222-H227 HydrophobicContact CG-CB 4.18Å; L222-H227 WeakPolarHBondContact O-CB 3.48Å; L222-H227 PolarHBondContact O-ND1 3.41Å; L222-Y228 VanDerWaalsContact CD1-C 3.41Å; L222-Y228 WeakPolarHBondContact CD1-O 3.45Å; L222-S260 PolarHBondContact O-OG 2.81Å; L222-M324 VanDerWaalsContact CA-SD 3.59Å; L222-M324 HydrophobicContact CB-SD 4.12Å; L222-M324 HydrophobicContact CD1-SD 3.99Å; L222-I503 HydrophobicContact CD2-CG1 4.43Å
223G91.1Very high94.2Very high0 Ų023.7 Ų23.70%012%0.119CC..  trans100.2-147.3-174.700000115.1G154 G505G154-G223 WeakPolarHBondContact CA-O 3.5Å; G154-G223 PolarHBondContact N-O 2.79Å; G223-G505 WeakPolarHBondContact O-CA 3.41Å
224A86.7Confident94.3Very high21 Ų2115.7 Ų15.717%0.1748%0.084CC..SBendtrans-144.2-179.4-174.800000109.5V155 L466V155-A224 HydrophobicContact CG2-CB 3.55Å; A224-L466 HydrophobicContact CB-CD1 4.21Å
225G86.3Confident94.5Very high12 Ų1214 Ų1412%0.1248%0.082CC..THydrogen-bonded Turntrans77.2-130.3-175.400000110.7H227 E470 K504G225-H227 PolarHBondContact O-N 3.3Å; G225-E470 VanDerWaalsContact C-OE1 3.29Å; G225-E470 WeakPolarHBondContact CA-OE1 3.5Å; G225-E470 WeakPolarHBondContact O-CG 3.25Å; G225-K504 PolarHBondContact O-NZ 2.7Å
226N87.6Confident94.6Very high49 Ų4917 Ų1726%0.26210%0.095SC..THydrogen-bonded Turntrans-83.79.2-179.567.4-27.2000113.7Y228 H259N226-Y228 WeakPolarHBondContact O-CD1 3.28Å; N226-H259 PolarHBondContact ND2-CE1 3.08Å; N226-H259 PolarHBondContact O-ND1 3.24Å
227H94.1Very high94.8Very high2 Ų216.2 Ų16.21%0.0099%0.091CC..  trans-80.3133.9177.2-65.3-173.3000111.1D119 C122 L222 G225 H259 S260 R263 K504D119-H227 IonicContact OD2-CE1 3.22Å; D119-H227 PolarHBondContact OD2-CE1 2.71Å; D119-H227 IonicContact OD2-NE2 2.63Å; D119-H227 PolarHBondContact OD2-NE2 3.23Å; D119-H227 VanDerWaalsContact OD2-NE2 3.15Å; C122-H227 PolarHBondContact SG-NE2 3.29Å; L222-H227 HydrophobicContact CD1-CB 4.38Å; L222-H227 HydrophobicContact CG-CB 4.18Å; L222-H227 WeakPolarHBondContact O-CB 3.48Å; L222-H227 PolarHBondContact O-ND1 3.41Å; G225-H227 PolarHBondContact O-N 3.3Å; H227-H259 VanDerWaalsContact CA-O 3.29Å; H227-H259 WeakPolarHBondContact CA-O 3.43Å; H227-H259 VanDerWaalsContact CB-O 3.28Å; H227-H259 WeakPolarHBondContact CB-O 3.44Å; H227-S260 PolarHBondContact ND1-OG 3.32Å; H227-R263 PolarHBondContact CE1-NH1 2.99Å; H227-R263 PolarHBondContact ND1-NH1 2.84Å; H227-R263 VanDerWaalsContact ND1-NH1 3.17Å; H227-K504 VanDerWaalsContact O-CG 3.24Å; H227-K504 WeakPolarHBondContact O-CG 3.48Å
228Y95.5Very high95Very high11 Ų1117.6 Ų17.64%0.0439%0.09CC..EExtended strand (participates in β ladder)trans-148.7159.5-178.356.7-98.4000111L222 N226 E230 M257 H259 G402 I503L222-Y228 VanDerWaalsContact CD1-C 3.41Å; L222-Y228 WeakPolarHBondContact CD1-O 3.45Å; N226-Y228 WeakPolarHBondContact O-CD1 3.28Å; Y228-E230 HydrophobicContact CD2-CB 3.98Å; Y228-E230 VanDerWaalsContact CD2-CD 3.45Å; Y228-E230 HydrophobicContact CD2-CG 3.41Å; Y228-E230 VanDerWaalsContact CD2-CG 3.41Å; Y228-E230 HydrophobicContact CE2-CB 4.26Å; Y228-E230 HydrophobicContact CE2-CG 3.94Å; Y228-E230 HydrophobicContact CG-CG 4.09Å; Y228-M257 HydrophobicContact CE2-CB 4.49Å; Y228-M257 HydrophobicContact CE2-CG 4.08Å; Y228-M257 HydrophobicContact CE2-SD 4.19Å; Y228-H259 HydrophobicContact CD1-CB 4.06Å; Y228-H259 HydrophobicContact CD2-CB 4.16Å; Y228-H259 HydrophobicContact CE1-CB 3.77Å; Y228-H259 AromaticContact CE1-ND1 3.43Å; Y228-H259 WeakPolarHBondContact CE1-ND1 3.48Å; Y228-H259 HydrophobicContact CE2-CB 3.92Å; Y228-H259 HydrophobicContact CG-CB 4.25Å; Y228-H259 AromaticContact CZ-ND1 3.92Å; Y228-H259 PolarHBondContact N-O 3.12Å; Y228-H259 PolarHBondContact O-N 2.73Å; Y228-G402 WeakPolarHBondContact OH-CA 3.49Å; Y228-I503 VanDerWaalsContact CA-O 3.28Å; Y228-I503 WeakPolarHBondContact CA-O 3.46Å
229A97.3Very high95.2Very high1 Ų118.5 Ų18.51%0.00810%0.096CC..EExtended strand (participates in β ladder)trans-120130.8153.100000108.7I151 M257 I258 I503I151-A229 HydrophobicContact CD1-CB 4.47Å; A229-M257 CarbonylContact C-O 3.43Å; A229-M257 VanDerWaalsContact CA-O 3.25Å; A229-M257 WeakPolarHBondContact CA-O 3.42Å; A229-I258 HydrophobicContact CB-CG1 4.26Å; A229-I503 HydrophobicContact CB-CD1 3.94Å; A229-I503 HydrophobicContact CB-CG1 3.63Å; A229-I503 PolarHBondContact N-O 3.25Å; A229-I503 WeakPolarHBondContact O-CG1 3.42Å; A229-I503 PolarHBondContact O-N 3.32Å
230E97.6Very high95.5Very high0 Ų026 Ų260%013%0.131CC..EExtended strand (participates in β ladder)trans-126.4130.7-170.4-79.2179-17000110.6Y228 Q232 V256 M257 A501 V502Y228-E230 HydrophobicContact CD2-CB 3.98Å; Y228-E230 VanDerWaalsContact CD2-CD 3.45Å; Y228-E230 HydrophobicContact CD2-CG 3.41Å; Y228-E230 VanDerWaalsContact CD2-CG 3.41Å; Y228-E230 HydrophobicContact CE2-CB 4.26Å; Y228-E230 HydrophobicContact CE2-CG 3.94Å; Y228-E230 HydrophobicContact CG-CG 4.09Å; E230-Q232 HydrophobicContact CB-CG 3.86Å; E230-Q232 PolarHBondContact OE2-NE2 2.96Å; E230-V256 CarbonylContact O-C 3.54Å; E230-V256 VanDerWaalsContact O-CA 3.3Å; E230-V256 WeakPolarHBondContact O-CA 3.37Å; E230-M257 PolarHBondContact N-O 2.65Å; E230-M257 PolarHBondContact O-N 3.02Å; E230-A501 CarbonylContact C-O 3.37Å; E230-A501 VanDerWaalsContact CA-O 3.3Å; E230-A501 WeakPolarHBondContact CA-O 3.47Å; E230-V502 HydrophobicContact CG-CB 4Å; E230-V502 HydrophobicContact CG-CG1 3.77Å; E230-V502 HydrophobicContact CG-CG2 3.61Å
231I98.6Very high95.7Very high1 Ų131.1 Ų31.11%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-86.7122.5164.8-48.8179.4000106.4V136 L143 L147 V254 F332 I500 A501V136-I231 HydrophobicContact CG1-CG2 4.47Å; L143-I231 HydrophobicContact CB-CD1 4.27Å; L143-I231 HydrophobicContact CD2-CD1 3.53Å; L143-I231 HydrophobicContact CG-CD1 3.55Å; L147-I231 HydrophobicContact CD1-CD1 3.65Å; L147-I231 HydrophobicContact CD1-CG1 3.61Å; I231-V254 HydrophobicContact CG2-CG1 3.71Å; I231-F332 HydrophobicContact CD1-CE2 4.42Å; I231-F332 HydrophobicContact CD1-CZ 4.19Å; I231-F332 HydrophobicContact CG1-CZ 4.34Å; I231-F332 HydrophobicContact CG2-CZ 4.46Å; I231-I500 HydrophobicContact CB-CG1 4.18Å; I231-I500 HydrophobicContact CG2-CD1 3.97Å; I231-I500 HydrophobicContact CG2-CG1 3.95Å; I231-I500 WeakPolarHBondContact O-CG1 3.37Å; I231-I500 PolarHBondContact O-N 3.48Å; I231-A501 HydrophobicContact CB-CB 4.08Å; I231-A501 HydrophobicContact CD1-CB 4.01Å; I231-A501 HydrophobicContact CG1-CB 4.15Å; I231-A501 PolarHBondContact N-O 2.84Å; I231-A501 PolarHBondContact O-N 3.41Å
232Q98.7Very high95.8Very high0 Ų031 Ų310%015%0.151CC..EExtended strand (participates in β ladder)trans-127.3159.4-173.3-52.5-171.9-32.900110.5E230 V254 C255 S409 L497 R498E230-Q232 HydrophobicContact CB-CG 3.86Å; E230-Q232 PolarHBondContact OE2-NE2 2.96Å; Q232-V254 CarbonylContact O-C 3.53Å; Q232-V254 WeakPolarHBondContact O-CA 3.31Å; Q232-C255 PolarHBondContact N-O 3.05Å; Q232-C255 PolarHBondContact O-N 3.2Å; Q232-S409 PolarHBondContact NE2-OG 3.45Å; Q232-L497 HydrophobicContact CB-CB 4.07Å; Q232-L497 VanDerWaalsContact OE1-CB 3.32Å; Q232-L497 VanDerWaalsContact OE1-CD1 3.29Å; Q232-R498 CarbonylContact C-O 3.6Å; Q232-R498 WeakPolarHBondContact CA-O 3.41Å
233V98.7Very high96.1Very high1 Ų131 Ų311%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-120.4137.8177.9175.10000109E133 D235 Q253 V254 L497 R498 I500E133-V233 HydrophobicContact CB-CG1 4.11Å; E133-V233 HydrophobicContact CB-CG2 3.9Å; E133-V233 HydrophobicContact CG-CG2 4.02Å; V233-D235 PolarHBondContact O-N 3.04Å; V233-D235 VanDerWaalsContact O-N 3.13Å; V233-Q253 WeakPolarHBondContact CA-O 3.41Å; V233-V254 HydrophobicContact CG2-CG2 4.42Å; V233-L497 CarbonylContact O-C 3.55Å; V233-L497 VanDerWaalsContact O-CA 3.31Å; V233-L497 WeakPolarHBondContact O-CA 3.49Å; V233-R498 HydrophobicContact CB-CG 4.25Å; V233-R498 PolarHBondContact N-O 3.34Å; V233-R498 PolarHBondContact O-N 3.48Å; V233-I500 HydrophobicContact CG2-CD1 3.8Å; V233-I500 HydrophobicContact CG2-CG1 4.16Å; V233-I500 HydrophobicContact CG2-CG2 3.73Å
234V98.8Very high96.4Very high2 Ų238.5 Ų38.51%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-64.6109172.2177.70000109.8I237 I248 G252 Q253 I495 L497V234-I237 HydrophobicContact CG1-CD1 4.19Å; V234-I237 HydrophobicContact CG1-CG1 3.78Å; V234-I248 HydrophobicContact CB-CG2 4.44Å; V234-I248 HydrophobicContact CG1-CG2 4.01Å; V234-I248 HydrophobicContact CG2-CD1 4.26Å; V234-I248 HydrophobicContact CG2-CG2 3.73Å; V234-G252 PolarHBondContact O-N 3.14Å; V234-Q253 HydrophobicContact CG2-CB 4.16Å; V234-Q253 WeakPolarHBondContact CG2-O 3.48Å; V234-Q253 PolarHBondContact N-O 3.41Å; V234-I495 HydrophobicContact CG1-CG2 3.96Å; V234-I495 HydrophobicContact CG2-CG2 4.25Å; V234-L497 HydrophobicContact CB-CD2 4.48Å; V234-L497 HydrophobicContact CG2-CD2 3.76Å
235D98.4Very high96.9Very high50 Ų5041.9 Ų41.927%0.26719%0.194SC..EExtended strand (participates in β ladder)trans-92-45.9-176.1-171.752.9000111.1V233 K251 K496 R498V233-D235 PolarHBondContact O-N 3.04Å; V233-D235 VanDerWaalsContact O-N 3.13Å; D235-K251 WeakPolarHBondContact O-CD 3.23Å; D235-K496 HydrophobicContact CB-CG 4.39Å; D235-K496 PolarHBondContact N-O 3.26Å; D235-K496 WeakPolarHBondContact OD2-CE 3.08Å; D235-K496 IonicContact OD2-NZ 2.8Å; D235-K496 PolarHBondContact OD2-NZ 2.72Å; D235-R498 HydrophobicContact CB-CB 4.44Å; D235-R498 HydrophobicContact CB-CG 4.3Å; D235-R498 IonicContact OD1-NE 2.94Å
236E98.7Very high97.5Very high62 Ų6241.5 Ų41.529%0.2919%0.189SC..EExtended strand (participates in β ladder)trans-139.3144.3178.8-61.3175-143.400111.3Y238 I495 K496E236-Y238 HydrophobicContact CB-CE1 4.34Å; E236-Y238 HydrophobicContact CB-CE2 4.29Å; E236-Y238 WeakPolarHBondContact OE2-CE1 3.28Å; E236-Y238 PolarHBondContact OE2-OH 3.19Å; E236-I495 WeakPolarHBondContact O-CA 3.29Å; E236-K496 HydrophobicContact CB-CB 3.94Å; E236-K496 HydrophobicContact CB-CD 4.38Å; E236-K496 HydrophobicContact CG-CD 4.25Å; E236-K496 PolarHBondContact N-O 3.09Å; E236-K496 PolarHBondContact O-N 3.45Å; E236-K496 IonicContact OE1-NZ 3.18Å; E236-K496 PolarHBondContact OE1-NZ 2.66Å
237I98.8Very high98Very high41 Ų4140.2 Ų40.221%0.2119%0.187CC..EExtended strand (participates in β ladder)trans-116.3117.7172.2-62.1173.7000106.6V234 E240 A243 I248V234-I237 HydrophobicContact CG1-CD1 4.19Å; V234-I237 HydrophobicContact CG1-CG1 3.78Å; I237-E240 HydrophobicContact CG2-CG 4.14Å; I237-A243 HydrophobicContact CG2-CB 3.76Å; I237-I248 HydrophobicContact CD1-CG2 4.25Å
238Y98.6Very high98.2Very high81 Ų8140.2 Ų40.232%0.31819%0.187SC..SBendtrans-97.2-25.4178.9-58.4-72.8000112.5E236 Y410 K493 A494 K496E236-Y238 HydrophobicContact CB-CE1 4.34Å; E236-Y238 HydrophobicContact CB-CE2 4.29Å; E236-Y238 WeakPolarHBondContact OE2-CE1 3.28Å; E236-Y238 PolarHBondContact OE2-OH 3.19Å; Y238-Y410 HydrophobicContact CE2-CD1 4.18Å; Y238-Y410 AromaticContact CE2-CE1 3.93Å; Y238-Y410 HydrophobicContact CE2-CE1 3.93Å; Y238-K493 HydrophobicContact CD2-CB 3.58Å; Y238-K493 HydrophobicContact CD2-CD 4.33Å; Y238-K493 HydrophobicContact CD2-CG 4.48Å; Y238-K493 HydrophobicContact CE2-CB 4.15Å; Y238-K493 HydrophobicContact CE2-CD 4.09Å; Y238-K493 HydrophobicContact CG-CB 3.85Å; Y238-A494 PolarHBondContact N-O 3.28Å; Y238-K496 HydrophobicContact CE2-CB 3.85Å; Y238-K496 WeakPolarHBondContact OH-CD 3.37Å
239N98.3Very high98.2Very high50 Ų5045.2 Ų45.227%0.26722%0.215SC..  trans-136.396.6178.4-175.8-24.7000109.2Y241 A242 A243 A494N239-Y241 VanDerWaalsContact C-N 3.29Å; N239-Y241 PolarHBondContact O-N 2.82Å; N239-Y241 PolarHBondContact OD1-N 2.55Å; N239-A242 HydrophobicContact CB-CB 4.01Å; N239-A242 PolarHBondContact O-N 3.27Å; N239-A242 PolarHBondContact OD1-N 3.47Å; N239-A243 WeakPolarHBondContact O-CB 3.38Å; N239-A243 PolarHBondContact O-N 3.17Å; N239-A494 HydrophobicContact CB-CB 4.43Å; N239-A494 PolarHBondContact N-O 3.31Å
240E98.3Very high98.2Very high162 Ų16248.3 Ų48.376%0.75723%0.229SC*.Hα-helixtrans-60.2-38.2-177.6-64.1-179.2172.200112.6I237 K244I237-E240 HydrophobicContact CG2-CG 4.14Å; E240-K244 VanDerWaalsContact O-CB 3.28Å; E240-K244 WeakPolarHBondContact O-CB 3.36Å; E240-K244 PolarHBondContact O-N 3.15Å
241Y98.1Very high98.3Very high106 Ų10654.6 Ų54.642%0.41626%0.256SS..Hα-helixtrans-65.5-46.6179.2179.9-102.8000111.3N239 K245 L394 T395N239-Y241 VanDerWaalsContact C-N 3.29Å; N239-Y241 PolarHBondContact O-N 2.82Å; N239-Y241 PolarHBondContact OD1-N 2.55Å; Y241-K245 HydrophobicContact CE1-CG 4.3Å; Y241-K245 WeakPolarHBondContact O-CG 3.21Å; Y241-K245 PolarHBondContact O-N 3.43Å; Y241-K245 VanDerWaalsContact O-N 3.13Å; Y241-K245 WeakPolarHBondContact OH-CE 3.35Å; Y241-L394 HydrophobicContact CE1-CB 3.88Å; Y241-L394 VanDerWaalsContact OH-CD1 3.25Å; Y241-L394 WeakPolarHBondContact OH-CD1 3.38Å; Y241-T395 HydrophobicContact CD1-CG2 3.73Å; Y241-T395 HydrophobicContact CE1-CG2 3.64Å
242A98.4Very high98.3Very high0 Ų055.2 Ų55.20%026%0.263CS..Hα-helixtrans-65.6-44.117700000111.9N239 K244 K245 M246 T395 T413 A494N239-A242 HydrophobicContact CB-CB 4.01Å; N239-A242 PolarHBondContact O-N 3.27Å; N239-A242 PolarHBondContact OD1-N 3.47Å; A242-K244 PolarHBondContact O-N 3.37Å; A242-K245 PolarHBondContact O-N 3.16Å; A242-M246 HydrophobicContact CB-CE 4.31Å; A242-M246 VanDerWaalsContact O-CG 3.32Å; A242-M246 WeakPolarHBondContact O-CG 3.48Å; A242-M246 PolarHBondContact O-N 3.4Å; A242-T395 HydrophobicContact CB-CG2 3.89Å; A242-T413 HydrophobicContact CB-CG2 4.23Å; A242-A494 HydrophobicContact CB-CB 4.22Å
243A98.6Very high98.3Very high0 Ų055.4 Ų55.40%026%0.264CS..Hα-helixtrans-58.1-48.2176.700000111.3I237 N239 K245 M246 G247 I248 I495I237-A243 HydrophobicContact CG2-CB 3.76Å; N239-A243 WeakPolarHBondContact O-CB 3.38Å; N239-A243 PolarHBondContact O-N 3.17Å; A243-K245 VanDerWaalsContact C-N 3.29Å; A243-K245 PolarHBondContact O-N 3.36Å; A243-M246 CarbonylContact O-C 3.49Å; A243-M246 WeakPolarHBondContact O-CA 3.39Å; A243-M246 WeakPolarHBondContact O-CB 3.43Å; A243-M246 PolarHBondContact O-N 3.25Å; A243-G247 PolarHBondContact O-N 2.45Å; A243-I248 CarbonylContact C-O 3.59Å; A243-I248 HydrophobicContact CB-CB 4.15Å; A243-I248 HydrophobicContact CB-CG2 4.33Å; A243-I248 WeakPolarHBondContact CB-O 3.16Å; A243-I248 WeakPolarHBondContact O-CA 3Å; A243-I248 PolarHBondContact O-N 3.41Å; A243-I248 VanDerWaalsContact O-O 3.09Å; A243-I495 HydrophobicContact CB-CD1 4.13Å; A243-I495 HydrophobicContact CB-CG1 3.95Å
244K98.3Very high98.3Very high157 Ų15755.4 Ų55.468%0.68326%0.264SS*.Hα-helixtrans-60.9-37.6178.7-173.7172.1-176.5171.30112.6E240 A242 M246 G247 I248E240-K244 VanDerWaalsContact O-CB 3.28Å; E240-K244 WeakPolarHBondContact O-CB 3.36Å; E240-K244 PolarHBondContact O-N 3.15Å; A242-K244 PolarHBondContact O-N 3.37Å; K244-M246 VanDerWaalsContact C-N 3.27Å; K244-M246 PolarHBondContact O-N 2.89Å; K244-G247 PolarHBondContact O-N 3.33Å; K244-G247 VanDerWaalsContact O-N 3.1Å; K244-I248 WeakPolarHBondContact CA-O 3.28Å; K244-I248 PolarHBondContact N-O 3.24Å; K244-I248 VanDerWaalsContact N-O 3.12Å
245K98.1Very high98.3Very high92 Ų9255.3 Ų55.340%0.426%0.264SS..Hα-helixtrans-66.5-29.1174-71.3-64.4-178.5178.20113Y241 A242 A243 G247 Y392 T395Y241-K245 HydrophobicContact CE1-CG 4.3Å; Y241-K245 WeakPolarHBondContact O-CG 3.21Å; Y241-K245 PolarHBondContact O-N 3.43Å; Y241-K245 VanDerWaalsContact O-N 3.13Å; Y241-K245 WeakPolarHBondContact OH-CE 3.35Å; A242-K245 PolarHBondContact O-N 3.16Å; A243-K245 VanDerWaalsContact C-N 3.29Å; A243-K245 PolarHBondContact O-N 3.36Å; K245-G247 PolarHBondContact O-N 3.36Å; K245-Y392 HydrophobicContact CB-CD1 4.37Å; K245-Y392 HydrophobicContact CB-CE1 4.45Å; K245-T395 HydrophobicContact CB-CG2 4.34Å; K245-T395 HydrophobicContact CG-CG2 4.24Å
246M98.4Very high98.3Very high3 Ų353 Ų532%0.01525%0.251CS..THydrogen-bonded Turntrans-84.59.3172.6-61.9172.8-163.800112.8R128 A242 A243 K244 I248 I348 Y392 P398 V411 T413 I495R128-M246 WeakPolarHBondContact CD-O 3.34Å; A242-M246 HydrophobicContact CB-CE 4.31Å; A242-M246 VanDerWaalsContact O-CG 3.32Å; A242-M246 WeakPolarHBondContact O-CG 3.48Å; A242-M246 PolarHBondContact O-N 3.4Å; A243-M246 CarbonylContact O-C 3.49Å; A243-M246 WeakPolarHBondContact O-CA 3.39Å; A243-M246 WeakPolarHBondContact O-CB 3.43Å; A243-M246 PolarHBondContact O-N 3.25Å; K244-M246 VanDerWaalsContact C-N 3.27Å; K244-M246 PolarHBondContact O-N 2.89Å; M246-I248 VanDerWaalsContact C-N 3.27Å; M246-I248 PolarHBondContact O-N 3.4Å; M246-I348 HydrophobicContact CB-CD1 4.26Å; M246-I348 HydrophobicContact CB-CG1 4.41Å; M246-I348 HydrophobicContact CB-CG2 3.83Å; M246-I348 HydrophobicContact CG-CG2 3.86Å; M246-I348 WeakPolarHBondContact O-CG1 3.34Å; M246-I348 HydrophobicContact SD-CG2 4.13Å; M246-Y392 HydrophobicContact CB-CE1 4.48Å; M246-Y392 HydrophobicContact CG-CD1 4.48Å; M246-Y392 HydrophobicContact CG-CE1 3.7Å; M246-P398 HydrophobicContact CE-CB 3.89Å; M246-P398 HydrophobicContact CE-CG 3.96Å; M246-P398 HydrophobicContact SD-CB 4.43Å; M246-V411 HydrophobicContact CE-CG1 4.07Å; M246-V411 HydrophobicContact SD-CG1 3.62Å; M246-T413 HydrophobicContact CE-CG2 3.69Å; M246-I495 HydrophobicContact SD-CD1 4.01Å
247G98.1Very high98.3Very high22 Ų2250 Ų5023%0.22724%0.237CC..THydrogen-bonded Turntrans68.224.7-177.700000114.1A243 K244 K245 Q253A243-G247 PolarHBondContact O-N 2.45Å; K244-G247 PolarHBondContact O-N 3.33Å; K244-G247 VanDerWaalsContact O-N 3.1Å; K245-G247 PolarHBondContact O-N 3.36Å; G247-Q253 PolarHBondContact O-NE2 3.18Å
248I98.4Very high98.3Very high2 Ų248 Ų481%0.0123%0.227CC..  trans-108.8111172.9-56.6-57.9000109.6R128 V234 I237 A243 K244 M246 Q253 I348 I495R128-I248 HydrophobicContact CB-CD1 3.99Å; V234-I248 HydrophobicContact CB-CG2 4.44Å; V234-I248 HydrophobicContact CG1-CG2 4.01Å; V234-I248 HydrophobicContact CG2-CD1 4.26Å; V234-I248 HydrophobicContact CG2-CG2 3.73Å; I237-I248 HydrophobicContact CD1-CG2 4.25Å; A243-I248 CarbonylContact C-O 3.59Å; A243-I248 HydrophobicContact CB-CB 4.15Å; A243-I248 HydrophobicContact CB-CG2 4.33Å; A243-I248 WeakPolarHBondContact CB-O 3.16Å; A243-I248 WeakPolarHBondContact O-CA 3Å; A243-I248 PolarHBondContact O-N 3.41Å; A243-I248 VanDerWaalsContact O-O 3.09Å; K244-I248 WeakPolarHBondContact CA-O 3.28Å; K244-I248 PolarHBondContact N-O 3.24Å; K244-I248 VanDerWaalsContact N-O 3.12Å; M246-I248 VanDerWaalsContact C-N 3.27Å; M246-I248 PolarHBondContact O-N 3.4Å; I248-Q253 VanDerWaalsContact CA-OE1 3.24Å; I248-Q253 HydrophobicContact CD1-CG 4.37Å; I248-I348 HydrophobicContact CD1-CD1 4.07Å; I248-I348 HydrophobicContact CG1-CD1 3.99Å; I248-I495 HydrophobicContact CB-CD1 4.07Å; I248-I495 HydrophobicContact CG1-CD1 3.84Å; I248-I495 HydrophobicContact CG2-CD1 4.31Å
249D94.9Very high98.3Very high116 Ų11644.6 Ų44.662%0.6221%0.214SC*.  trans-112.9-17.2-172.563.4-26.1000114Q253D249-Q253 PolarHBondContact OD1-OE1 3.45Å
250H98.3Very high98.2Very high67 Ų6742.2 Ų42.231%0.3120%0.201SC..SBendtrans-149.7163.917960.2-73.2000113.5D132D132-H250 IonicContact OD1-CD2 3.27Å; D132-H250 IonicContact OD1-NE2 3.98Å; D132-H250 PolarHBondContact OD1-NE2 3.25Å
251K98.6Very high98.2Very high131 Ų13134.5 Ų34.557%0.5717%0.165SC*.THydrogen-bonded Turntrans-74.1144.7168.9-62.3-177.5178.4-1610109.6D235D235-K251 WeakPolarHBondContact O-CD 3.23Å
252G98.6Very high98.2Very high15 Ų1529.5 Ų29.516%0.15515%0.146CC..THydrogen-bonded Turntrans98-16.5-176.300000114D132 E133 V234D132-G252 CarbonylContact C-O 3.55Å; E133-G252 PolarHBondContact N-O 2.88Å; V234-G252 PolarHBondContact O-N 3.14Å
253Q98.8Very high98.1Very high4 Ų430.9 Ų30.92%0.01915%0.151CC..EExtended strand (participates in β ladder)trans-62.2140.2176.5-169.7177.8-3.900111.5T129 L131 V233 V234 G247 I248 D249T129-Q253 WeakPolarHBondContact O-CG 3.37Å; T129-Q253 PolarHBondContact O-NE2 3.16Å; L131-Q253 WeakPolarHBondContact O-CA 3.36Å; V233-Q253 WeakPolarHBondContact CA-O 3.41Å; V234-Q253 HydrophobicContact CG2-CB 4.16Å; V234-Q253 WeakPolarHBondContact CG2-O 3.48Å; V234-Q253 PolarHBondContact N-O 3.41Å; G247-Q253 PolarHBondContact O-NE2 3.18Å; I248-Q253 VanDerWaalsContact CA-OE1 3.24Å; I248-Q253 HydrophobicContact CD1-CG 4.37Å; D249-Q253 PolarHBondContact OD1-OE1 3.45Å
254V98.8Very high98Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-89.1139.3-177.3172.80000111T129 L131 V136 I231 Q232 V233T129-V254 PolarHBondContact N-O 2.88Å; T129-V254 VanDerWaalsContact N-O 3.15Å; T129-V254 PolarHBondContact OG1-O 3Å; T129-V254 VanDerWaalsContact OG1-O 3.13Å; L131-V254 HydrophobicContact CB-CB 4.23Å; L131-V254 HydrophobicContact CB-CG2 4.38Å; L131-V254 PolarHBondContact O-N 3.16Å; V136-V254 HydrophobicContact CB-CG2 4.38Å; V136-V254 HydrophobicContact CG2-CB 4.39Å; V136-V254 HydrophobicContact CG2-CG1 4.16Å; V136-V254 HydrophobicContact CG2-CG2 3.69Å; I231-V254 HydrophobicContact CG2-CG1 3.71Å; Q232-V254 CarbonylContact O-C 3.53Å; Q232-V254 WeakPolarHBondContact O-CA 3.31Å; V233-V254 HydrophobicContact CG2-CG2 4.42Å
255C98.8Very high98Very high1 Ų123.6 Ų23.61%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-131.3160.3174.7-65.70000110.2L126 L127 Q232 L497L126-C255 HydrophobicContact CD1-CB 3.84Å; L127-C255 CarbonylContact O-C 3.53Å; L127-C255 WeakPolarHBondContact O-CA 3.47Å; L127-C255 VanDerWaalsContact O-CB 3.3Å; L127-C255 WeakPolarHBondContact O-CB 3.39Å; Q232-C255 PolarHBondContact N-O 3.05Å; Q232-C255 PolarHBondContact O-N 3.2Å; C255-L497 HydrophobicContact CB-CD2 4.16Å
256V98.8Very high98Very high0 Ų019.2 Ų19.20%010%0.102CC..EExtended strand (participates in β ladder)trans-125.3119.5172.5-169.30000110.2L126 L127 E230 T328 F332L126-V256 WeakPolarHBondContact CA-O 3.36Å; L127-V256 HydrophobicContact CB-CB 4.4Å; L127-V256 PolarHBondContact N-O 3.16Å; L127-V256 PolarHBondContact O-N 3.22Å; E230-V256 CarbonylContact O-C 3.54Å; E230-V256 VanDerWaalsContact O-CA 3.3Å; E230-V256 WeakPolarHBondContact O-CA 3.37Å; V256-T328 HydrophobicContact CB-CG2 4.2Å; V256-T328 HydrophobicContact CG1-CG2 3.77Å; V256-T328 HydrophobicContact CG2-CG2 4.22Å; V256-F332 HydrophobicContact CG2-CE1 4.29Å; V256-F332 HydrophobicContact CG2-CE2 3.6Å; V256-F332 HydrophobicContact CG2-CZ 3.37Å
257M98.7Very high98Very high0 Ų022.7 Ų22.70%012%0.118CC..EExtended strand (participates in β ladder)trans-102.2128.1177.6-172.6170.9-71.100110V124 R125 L126 Y228 A229 E230 L497V124-M257 HydrophobicContact CG1-CE 4.33Å; V124-M257 HydrophobicContact CG1-CG 3.4Å; V124-M257 VanDerWaalsContact CG1-CG 3.4Å; V124-M257 HydrophobicContact CG1-SD 3.68Å; R125-M257 CarbonylContact O-C 3.33Å; R125-M257 WeakPolarHBondContact O-CA 3.27Å; L126-M257 HydrophobicContact CD1-CB 4Å; L126-M257 HydrophobicContact CD1-CE 3.99Å; Y228-M257 HydrophobicContact CE2-CB 4.49Å; Y228-M257 HydrophobicContact CE2-CG 4.08Å; Y228-M257 HydrophobicContact CE2-SD 4.19Å; A229-M257 CarbonylContact C-O 3.43Å; A229-M257 VanDerWaalsContact CA-O 3.25Å; A229-M257 WeakPolarHBondContact CA-O 3.42Å; E230-M257 PolarHBondContact N-O 2.65Å; E230-M257 PolarHBondContact O-N 3.02Å; M257-L497 HydrophobicContact CE-CD1 3.98Å
258I98.4Very high98Very high0 Ų022 Ų220%011%0.108CC..EExtended strand (participates in β ladder)trans-117116.8178.2-57172.3000108.3V124 R125 L127 A229 M324V124-I258 CarbonylContact C-O 3.51Å; V124-I258 WeakPolarHBondContact CA-O 3.38Å; R125-I258 PolarHBondContact N-O 2.96Å; R125-I258 PolarHBondContact O-N 3.25Å; L127-I258 HydrophobicContact CD1-CD1 3.89Å; L127-I258 HydrophobicContact CD1-CG1 4.4Å; A229-I258 HydrophobicContact CB-CG1 4.26Å; I258-M324 HydrophobicContact CD1-CB 4.18Å; I258-M324 HydrophobicContact CG2-CB 4.13Å; I258-M324 HydrophobicContact CG2-CE 3.83Å; I258-M324 HydrophobicContact CG2-SD 4.14Å
259H98Very high98Very high9 Ų922.3 Ų22.34%0.04211%0.11CC..EExtended strand (participates in β ladder)trans-111.2110.5175.2-176.1179.7000110.1C122 G123 V124 N226 H227 Y228 H353C122-H259 PolarHBondContact SG-NE2 3.16Å; G123-H259 WeakPolarHBondContact O-CA 3.36Å; G123-H259 PolarHBondContact O-CD2 3.19Å; G123-H259 VanDerWaalsContact O-CD2 3.23Å; V124-H259 HydrophobicContact CG2-CB 4.3Å; N226-H259 PolarHBondContact ND2-CE1 3.08Å; N226-H259 PolarHBondContact O-ND1 3.24Å; H227-H259 VanDerWaalsContact CA-O 3.29Å; H227-H259 WeakPolarHBondContact CA-O 3.43Å; H227-H259 VanDerWaalsContact CB-O 3.28Å; H227-H259 WeakPolarHBondContact CB-O 3.44Å; Y228-H259 HydrophobicContact CD1-CB 4.06Å; Y228-H259 HydrophobicContact CD2-CB 4.16Å; Y228-H259 HydrophobicContact CE1-CB 3.77Å; Y228-H259 AromaticContact CE1-ND1 3.43Å; Y228-H259 WeakPolarHBondContact CE1-ND1 3.48Å; Y228-H259 HydrophobicContact CE2-CB 3.92Å; Y228-H259 HydrophobicContact CG-CB 4.25Å; Y228-H259 AromaticContact CZ-ND1 3.92Å; Y228-H259 PolarHBondContact N-O 3.12Å; Y228-H259 PolarHBondContact O-N 2.73Å; H259-H353 AromaticContact CD2-CE1 3.83Å; H259-H353 AromaticContact CE1-CE1 3.67Å; H259-H353 AromaticContact NE2-CE1 3.12Å; H259-H353 PolarHBondContact NE2-CE1 3.34Å; H259-H353 AromaticContact NE2-NE2 3.3Å; H259-H353 PolarHBondContact NE2-NE2 3.38Å
260S97.3Very high98.2Very high0 Ų016.8 Ų16.80%08%0.081CC..EExtended strand (participates in β ladder)trans-158.6176.8173.3-164.70000111.9G123 L222 H227 N320 R321G123-S260 PolarHBondContact N-O 3.07Å; G123-S260 PolarHBondContact O-N 3.15Å; G123-S260 VanDerWaalsContact O-N 3.13Å; L222-S260 PolarHBondContact O-OG 2.81Å; H227-S260 PolarHBondContact ND1-OG 3.32Å; S260-N320 PolarHBondContact OG-ND2 3.44Å; S260-R321 PolarHBondContact O-NH1 3.36Å
261G97.4Very high98.2Very high0 Ų015.6 Ų15.60%08%0.079CC..  trans-142.3-151.4-175.400000114.1D119 R263 N320D119-G261 WeakPolarHBondContact OD1-CA 3.45Å; G261-R263 PolarHBondContact O-N 3.28Å; G261-N320 PolarHBondContact O-ND2 2.98Å; G261-N320 VanDerWaalsContact O-ND2 3.12Å
262S97.8Very high98.1Very high0 Ų012 Ų120%07%0.066CC..  trans-84.78.3-175.156.50000114D119 I120 L265 G266 A313 Y316D119-S262 PolarHBondContact OD1-N 3.24Å; D119-S262 PolarHBondContact OD1-OG 3.47Å; I120-S262 PolarHBondContact N-OG 3.16Å; I120-S262 WeakPolarHBondContact O-CB 3.48Å; I120-S262 PolarHBondContact O-N 3.36Å; I120-S262 PolarHBondContact O-OG 3.34Å; S262-L265 WeakPolarHBondContact O-CB 3.25Å; S262-L265 PolarHBondContact O-N 2.92Å; S262-G266 PolarHBondContact O-N 2.82Å; S262-G266 VanDerWaalsContact OG-CA 3.23Å; S262-G266 WeakPolarHBondContact OG-CA 3.49Å; S262-G266 PolarHBondContact OG-N 3.32Å; S262-A313 WeakPolarHBondContact CB-O 3.29Å; S262-Y316 VanDerWaalsContact O-CE1 3.3Å; S262-Y316 WeakPolarHBondContact O-CE1 3.43Å
263R96.5Very high98.1Very high29 Ų2911.8 Ų11.811%0.1096%0.062CC..Hα-helixtrans56.7-145.4173.6-48.4-55.2-50.2115.915.7111.1Q218 H227 G261 L265 Y316Q218-R263 HydrophobicContact CB-CB 4.07Å; Q218-R263 HydrophobicContact CB-CG 4.27Å; H227-R263 PolarHBondContact CE1-NH1 2.99Å; H227-R263 PolarHBondContact ND1-NH1 2.84Å; H227-R263 VanDerWaalsContact ND1-NH1 3.17Å; G261-R263 PolarHBondContact O-N 3.28Å; R263-L265 PolarHBondContact O-N 3.42Å; R263-Y316 HydrophobicContact CB-CE1 4.22Å; R263-Y316 HydrophobicContact CG-CE1 4.04Å
264G96.4Very high98Very high5 Ų512.2 Ų12.25%0.0526%0.064CC..Hα-helixtrans-65.5-18178.100000114.4Q268G264-Q268 WeakPolarHBondContact O-CB 3.48Å; G264-Q268 PolarHBondContact O-N 2.92Å
265L98.3Very high97.8Very high0 Ų016.1 Ų16.10%09%0.088CC..Hα-helixtrans-69.9-58.7-177.9-171.7147.2000110.8L168 L172 V207 A211 S262 R263 H267 Q268 V269 A313 Y316L168-L265 HydrophobicContact CD1-CD1 4.29Å; L172-L265 HydrophobicContact CD2-CD1 3.92Å; L172-L265 HydrophobicContact CD2-CD2 4.09Å; V207-L265 HydrophobicContact CG1-CD1 4.49Å; V207-L265 HydrophobicContact CG1-CD2 4.21Å; V207-L265 HydrophobicContact CG1-CG 4.33Å; A211-L265 HydrophobicContact CB-CG 4.43Å; S262-L265 WeakPolarHBondContact O-CB 3.25Å; S262-L265 PolarHBondContact O-N 2.92Å; R263-L265 PolarHBondContact O-N 3.42Å; L265-H267 VanDerWaalsContact C-N 3.29Å; L265-H267 PolarHBondContact O-N 3.41Å; L265-Q268 PolarHBondContact O-N 2.93Å; L265-V269 HydrophobicContact CD2-CG2 4.17Å; L265-V269 WeakPolarHBondContact O-CG2 3.32Å; L265-V269 PolarHBondContact O-N 3.43Å; L265-A313 HydrophobicContact CD2-CB 3.69Å; L265-Y316 HydrophobicContact CB-CD1 4.39Å; L265-Y316 HydrophobicContact CB-CE1 4.37Å; L265-Y316 HydrophobicContact CD1-CD2 3.87Å; L265-Y316 HydrophobicContact CD1-CE2 4.15Å; L265-Y316 HydrophobicContact CD1-CG 4.15Å
266G98.3Very high97.7Very high0 Ų017.9 Ų17.90%010%0.103CC..Hα-helixtrans-65.2-34.4-179.500000112.7F118 S262 Q268 V269 A270F118-G266 CarbonylContact O-C 3.56Å; S262-G266 PolarHBondContact O-N 2.82Å; S262-G266 VanDerWaalsContact OG-CA 3.23Å; S262-G266 WeakPolarHBondContact OG-CA 3.49Å; S262-G266 PolarHBondContact OG-N 3.32Å; G266-Q268 VanDerWaalsContact C-N 3.26Å; G266-Q268 PolarHBondContact O-N 3.2Å; G266-V269 PolarHBondContact O-N 2.93Å; G266-V269 VanDerWaalsContact O-N 3.17Å; G266-A270 PolarHBondContact O-N 2.64Å
267H98.2Very high97.7Very high76 Ų7618 Ų1835%0.35210%0.103SC..Hα-helixtrans-57.2-43.3172.2-177.5-53.4000111.2F118 L265 T271F118-H267 AromaticContact CD1-CE1 3.68Å; F118-H267 AromaticContact CD1-ND1 3.88Å; F118-H267 AromaticContact CD1-NE2 3.8Å; F118-H267 WeakPolarHBondContact O-CA 3.47Å; F118-H267 PolarHBondContact O-N 3.06Å; L265-H267 VanDerWaalsContact C-N 3.29Å; L265-H267 PolarHBondContact O-N 3.41Å; H267-T271 PolarHBondContact CE1-OG1 2.74Å; H267-T271 PolarHBondContact ND1-OG1 2.93Å; H267-T271 WeakPolarHBondContact O-CB 3.49Å; H267-T271 PolarHBondContact O-N 3.03Å; H267-T271 PolarHBondContact O-OG1 3.4Å
268Q98.6Very high97.5Very high7 Ų720.2 Ų20.23%0.03311%0.114CC..Hα-helixtrans-70.2-39.8178.6-167.462.158.500111.5K210 A211 G264 L265 G266 A270 T271 D272K210-Q268 HydrophobicContact CB-CG 4.31Å; K210-Q268 HydrophobicContact CD-CG 4.23Å; K210-Q268 VanDerWaalsContact CE-OE1 3.25Å; K210-Q268 HydrophobicContact CG-CG 4.04Å; A211-Q268 HydrophobicContact CB-CB 3.69Å; A211-Q268 HydrophobicContact CB-CG 3.8Å; G264-Q268 WeakPolarHBondContact O-CB 3.48Å; G264-Q268 PolarHBondContact O-N 2.92Å; L265-Q268 PolarHBondContact O-N 2.93Å; G266-Q268 VanDerWaalsContact C-N 3.26Å; G266-Q268 PolarHBondContact O-N 3.2Å; Q268-A270 PolarHBondContact O-N 3.34Å; Q268-T271 WeakPolarHBondContact O-CB 3.07Å; Q268-T271 PolarHBondContact O-N 2.78Å; Q268-T271 VanDerWaalsContact O-N 3.17Å; Q268-D272 PolarHBondContact NE2-OD1 2.94Å; Q268-D272 WeakPolarHBondContact O-CB 3.35Å; Q268-D272 PolarHBondContact O-N 3.04Å
269V98.8Very high97.4Very high8 Ų827.3 Ų27.35%0.04815%0.145CC..Hα-helixtrans-56.7-47.9173.8171.30000111.2I120 V207 A211 L265 G266 T271 D272 A273 Y306 A313I120-V269 HydrophobicContact CD1-CB 4.03Å; I120-V269 HydrophobicContact CD1-CG1 3.81Å; V207-V269 HydrophobicContact CG1-CG2 4.01Å; V207-V269 HydrophobicContact CG2-CG2 4.46Å; A211-V269 HydrophobicContact CB-CG2 4.11Å; L265-V269 HydrophobicContact CD2-CG2 4.17Å; L265-V269 WeakPolarHBondContact O-CG2 3.32Å; L265-V269 PolarHBondContact O-N 3.43Å; G266-V269 PolarHBondContact O-N 2.93Å; G266-V269 VanDerWaalsContact O-N 3.17Å; V269-T271 VanDerWaalsContact C-N 3.34Å; V269-T271 PolarHBondContact O-N 3.31Å; V269-D272 PolarHBondContact O-N 3.28Å; V269-A273 WeakPolarHBondContact O-CB 3.45Å; V269-A273 PolarHBondContact O-N 3.28Å; V269-Y306 HydrophobicContact CG1-CE2 4.47Å; V269-A313 HydrophobicContact CG2-CB 4.37Å
270A98.1Very high97.3Very high1 Ų126.9 Ų26.91%0.00814%0.143CC..Hα-helixtrans-62.2-41.7176.500000112P113 F118 I120 G266 Q268 A273 L274P113-A270 HydrophobicContact CB-CB 4.49Å; F118-A270 HydrophobicContact CD1-CB 4.03Å; F118-A270 HydrophobicContact CG-CB 4.37Å; I120-A270 HydrophobicContact CD1-CB 4.44Å; G266-A270 PolarHBondContact O-N 2.64Å; Q268-A270 PolarHBondContact O-N 3.34Å; A270-A273 PolarHBondContact O-N 3.2Å; A270-L274 VanDerWaalsContact O-CG 3.3Å; A270-L274 WeakPolarHBondContact O-CG 3.49Å; A270-L274 PolarHBondContact O-N 3.08Å
271T97.9Very high97.3Very high42 Ų4227.9 Ų27.926%0.25815%0.148SC..Hα-helixtrans-64.5-44.1179-58.20000111.8H267 Q268 V269 A273 L274 V275H267-T271 PolarHBondContact CE1-OG1 2.74Å; H267-T271 PolarHBondContact ND1-OG1 2.93Å; H267-T271 WeakPolarHBondContact O-CB 3.49Å; H267-T271 PolarHBondContact O-N 3.03Å; H267-T271 PolarHBondContact O-OG1 3.4Å; Q268-T271 WeakPolarHBondContact O-CB 3.07Å; Q268-T271 PolarHBondContact O-N 2.78Å; Q268-T271 VanDerWaalsContact O-N 3.17Å; V269-T271 VanDerWaalsContact C-N 3.34Å; V269-T271 PolarHBondContact O-N 3.31Å; T271-A273 VanDerWaalsContact C-N 3.34Å; T271-L274 PolarHBondContact O-N 3.49Å; T271-V275 PolarHBondContact O-N 2.85Å
272D98Very high97.3Very high55 Ų5536.3 Ų36.329%0.29419%0.185SC..Hα-helixtrans-65.1-41.6179.3-65.1-14.6000110.4S208 Q268 V269 V275 A276S208-D272 WeakPolarHBondContact CB-OD2 3.28Å; S208-D272 PolarHBondContact OG-OD2 3.06Å; Q268-D272 PolarHBondContact NE2-OD1 2.94Å; Q268-D272 WeakPolarHBondContact O-CB 3.35Å; Q268-D272 PolarHBondContact O-N 3.04Å; V269-D272 PolarHBondContact O-N 3.28Å; D272-V275 PolarHBondContact O-N 2.92Å; D272-A276 PolarHBondContact O-N 2.74Å
273A97.9Very high97.2Very high10 Ų1042.8 Ų42.88%0.08321%0.209CC..Hα-helixtrans-64.1-4217700000112.9P113 V269 A270 T271 V275 A276 M277 Y306P113-A273 HydrophobicContact CB-CB 4.47Å; P113-A273 HydrophobicContact CG-CB 3.65Å; V269-A273 WeakPolarHBondContact O-CB 3.45Å; V269-A273 PolarHBondContact O-N 3.28Å; A270-A273 PolarHBondContact O-N 3.2Å; T271-A273 VanDerWaalsContact C-N 3.34Å; A273-V275 VanDerWaalsContact C-N 3.28Å; A273-V275 PolarHBondContact O-N 2.9Å; A273-A276 PolarHBondContact O-N 2.94Å; A273-A276 VanDerWaalsContact O-N 3.16Å; A273-M277 WeakPolarHBondContact O-CB 3.2Å; A273-M277 VanDerWaalsContact O-CG 3.26Å; A273-M277 WeakPolarHBondContact O-CG 3.3Å; A273-M277 PolarHBondContact O-N 3.15Å; A273-Y306 HydrophobicContact CB-CD2 3.33Å; A273-Y306 HydrophobicContact CB-CE2 3.99Å; A273-Y306 HydrophobicContact CB-CG 3.91Å
274L96.3Very high97.2Very high13 Ų1343.8 Ų43.87%0.06822%0.217CC..Hα-helixtrans-56.7-43.1176.7-73.3171.2000111.6Y92 P113 F118 A270 T271 M277 E278 A294Y92-L274 HydrophobicContact CE1-CD1 3.84Å; Y92-L274 HydrophobicContact CE1-CD2 4.03Å; P113-L274 HydrophobicContact CB-CD2 4.12Å; P113-L274 HydrophobicContact CB-CG 4.24Å; P113-L274 HydrophobicContact CG-CD2 4.31Å; F118-L274 HydrophobicContact CE1-CD1 3.96Å; F118-L274 HydrophobicContact CE2-CD1 4.4Å; F118-L274 HydrophobicContact CZ-CD1 3.54Å; A270-L274 VanDerWaalsContact O-CG 3.3Å; A270-L274 WeakPolarHBondContact O-CG 3.49Å; A270-L274 PolarHBondContact O-N 3.08Å; T271-L274 PolarHBondContact O-N 3.49Å; L274-M277 PolarHBondContact O-N 2.82Å; L274-E278 WeakPolarHBondContact O-CG 3.29Å; L274-E278 PolarHBondContact O-N 2.85Å; L274-A294 HydrophobicContact CD2-CB 3.85Å
275V95.7Very high97.2Very high82 Ų8252.2 Ų52.250%0.49725%0.252SS..Hα-helixtrans-64.8-41.4178.11760000111.7T271 D272 A273T271-V275 PolarHBondContact O-N 2.85Å; D272-V275 PolarHBondContact O-N 2.92Å; A273-V275 VanDerWaalsContact C-N 3.28Å; A273-V275 PolarHBondContact O-N 2.9Å
276A96.7Very high97.1Very high39 Ų3952.8 Ų52.832%0.32226%0.255SS..Hα-helixtrans-65.7-43.7176.600000111.6D272 A273 K279 A280 E302D272-A276 PolarHBondContact O-N 2.74Å; A273-A276 PolarHBondContact O-N 2.94Å; A273-A276 VanDerWaalsContact O-N 3.16Å; A276-K279 WeakPolarHBondContact O-CB 3.22Å; A276-K279 PolarHBondContact O-N 3.02Å; A276-K279 VanDerWaalsContact O-N 3.15Å; A276-A280 PolarHBondContact O-N 3.4Å; A276-E302 HydrophobicContact CB-CG 4.39Å
277M97.8Very high96.9Very high1 Ų158 Ų581%0.00529%0.286CS..Hα-helixtrans-71.4-32.8-177-68.9-170.9-17600113V111 P113 A273 L274 K279 A280 M281 A296 Y306V111-M277 HydrophobicContact CG1-CE 3.98Å; P113-M277 WeakPolarHBondContact CD-SD 3.42Å; P113-M277 HydrophobicContact CG-CE 4.01Å; P113-M277 HydrophobicContact CG-SD 3.74Å; A273-M277 WeakPolarHBondContact O-CB 3.2Å; A273-M277 VanDerWaalsContact O-CG 3.26Å; A273-M277 WeakPolarHBondContact O-CG 3.3Å; A273-M277 PolarHBondContact O-N 3.15Å; L274-M277 PolarHBondContact O-N 2.82Å; M277-K279 PolarHBondContact O-N 2.84Å; M277-A280 PolarHBondContact O-N 2.81Å; M277-A280 VanDerWaalsContact O-N 3.12Å; M277-M281 VanDerWaalsContact O-CG 3.26Å; M277-M281 WeakPolarHBondContact O-CG 3.5Å; M277-M281 PolarHBondContact O-N 2.81Å; M277-A296 HydrophobicContact CE-CB 4.26Å; M277-A296 HydrophobicContact CG-CB 3.84Å; M277-A296 HydrophobicContact SD-CB 4.15Å; M277-Y306 VanDerWaalsContact CE-CB 3.46Å; M277-Y306 HydrophobicContact CE-CD1 3.64Å; M277-Y306 HydrophobicContact CE-CG 3.64Å
278E95.6Very high96.8Very high48 Ų4855.8 Ų55.822%0.22428%0.278CS..Hα-helixtrans-57.5-32.6170.4-78.4-171.3168.100112.5L274 K282 R291 A294L274-E278 WeakPolarHBondContact O-CG 3.29Å; L274-E278 PolarHBondContact O-N 2.85Å; E278-K282 WeakPolarHBondContact O-CG 3.26Å; E278-R291 VanDerWaalsContact CD-NH2 3.28Å; E278-R291 IonicContact OE1-CZ 2.92Å; E278-R291 VanDerWaalsContact OE1-CZ 3.24Å; E278-R291 IonicContact OE1-NE 3.87Å; E278-R291 PolarHBondContact OE1-NE 2.8Å; E278-R291 IonicContact OE1-NH2 2.71Å; E278-R291 PolarHBondContact OE1-NH2 2.82Å; E278-R291 IonicContact OE2-CZ 2.87Å; E278-R291 IonicContact OE2-NE 3.65Å; E278-R291 IonicContact OE2-NH2 3.47Å; E278-R291 PolarHBondContact OE2-NH2 3.35Å; E278-A294 HydrophobicContact CG-CB 4.2Å
279K95.4Very high96.6Very high148 Ų14858 Ų5864%0.64329%0.29SS*.Hα-helixtrans-76.4-43.6174-61.3176.5-177.3177.40111.3A276 M277 M281 K282 R283A276-K279 WeakPolarHBondContact O-CB 3.22Å; A276-K279 PolarHBondContact O-N 3.02Å; A276-K279 VanDerWaalsContact O-N 3.15Å; M277-K279 PolarHBondContact O-N 2.84Å; K279-M281 PolarHBondContact O-N 3.08Å; K279-K282 PolarHBondContact O-N 2.88Å; K279-R283 PolarHBondContact O-N 2.9Å; K279-R283 VanDerWaalsContact O-N 3.13Å
280A97Very high96.3Very high0 Ų059 Ų590%030%0.295CS..Hα-helixtrans-59.1-44177.900000111.9A276 M277 K282 R283 D284 A296 E302A276-A280 PolarHBondContact O-N 3.4Å; M277-A280 PolarHBondContact O-N 2.81Å; M277-A280 VanDerWaalsContact O-N 3.12Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 2.9Å; A280-R283 WeakPolarHBondContact O-CB 3.34Å; A280-R283 PolarHBondContact O-N 2.94Å; A280-R283 VanDerWaalsContact O-N 3.16Å; A280-D284 WeakPolarHBondContact O-CB 3.13Å; A280-D284 PolarHBondContact O-N 2.92Å; A280-A296 HydrophobicContact CB-CB 4.08Å; A280-E302 HydrophobicContact CB-CB 4.37Å; A280-E302 HydrophobicContact CB-CG 4.06Å
281M97.6Very high96Very high22 Ų2267.3 Ų67.311%0.10833%0.327CS..Hα-helixtrans-58.8-41177.3-68169.371.600113M277 K279 K285 I286 V288 A294 C295M277-M281 VanDerWaalsContact O-CG 3.26Å; M277-M281 WeakPolarHBondContact O-CG 3.5Å; M277-M281 PolarHBondContact O-N 2.81Å; K279-M281 PolarHBondContact O-N 3.08Å; M281-K285 CarbonylContact O-C 3.58Å; M281-K285 WeakPolarHBondContact O-CA 3.34Å; M281-K285 PolarHBondContact O-N 2.7Å; M281-I286 HydrophobicContact CB-CB 4.17Å; M281-I286 HydrophobicContact CG-CB 4.12Å; M281-I286 HydrophobicContact CG-CG2 4.45Å; M281-I286 PolarHBondContact O-N 3.13Å; M281-V288 HydrophobicContact CE-CB 4.22Å; M281-V288 HydrophobicContact CE-CG1 3.78Å; M281-V288 HydrophobicContact CE-CG2 3.4Å; M281-V288 VanDerWaalsContact CE-CG2 3.4Å; M281-A294 WeakPolarHBondContact SD-CA 3.01Å; M281-A294 HydrophobicContact SD-CB 4Å; M281-C295 WeakPolarHBondContact CG-O 3.47Å; M281-C295 PolarHBondContact SD-N 2.78Å
282K96.1Very high95.9Very high177 Ų17767.5 Ų67.577%0.7732%0.324SS*.Hα-helixtrans-65.5-42.7177.1-70.6177.3-177.3179.40111.4E278 K279 A280E278-K282 WeakPolarHBondContact O-CG 3.26Å; K279-K282 PolarHBondContact O-N 2.88Å; A280-K282 VanDerWaalsContact C-N 3.31Å; A280-K282 PolarHBondContact O-N 2.9Å
283R96.8Very high95.8Very high135 Ų13564.9 Ų64.951%0.50931%0.311SS..Hα-helixtrans-62.6-47.8176.4-178.9-169.466.1-146.5-8.4111.3K279 A280 K285 E302K279-R283 PolarHBondContact O-N 2.9Å; K279-R283 VanDerWaalsContact O-N 3.13Å; A280-R283 WeakPolarHBondContact O-CB 3.34Å; A280-R283 PolarHBondContact O-N 2.94Å; A280-R283 VanDerWaalsContact O-N 3.16Å; R283-K285 VanDerWaalsContact C-N 3.32Å; R283-K285 PolarHBondContact O-N 3.48Å; R283-E302 IonicContact CZ-OE1 3.65Å; R283-E302 IonicContact CZ-OE2 3.5Å; R283-E302 IonicContact NH1-OE1 3.5Å; R283-E302 PolarHBondContact NH1-OE1 3.32Å; R283-E302 IonicContact NH1-OE2 3.71Å; R283-E302 IonicContact NH2-OE1 3.51Å; R283-E302 PolarHBondContact NH2-OE1 2.81Å; R283-E302 IonicContact NH2-OE2 3.64Å; R283-E302 PolarHBondContact NH2-OE2 2.72Å
284D96.7Very high95.7Very high51 Ų5164.4 Ų64.427%0.27331%0.307SS..Hα-helixtrans-91.94.4-170.5-57.7-20.3000112.7A280 I286A280-D284 WeakPolarHBondContact O-CB 3.13Å; A280-D284 PolarHBondContact O-N 2.92Å; D284-I286 HydrophobicContact CB-CD1 4.17Å; D284-I286 HydrophobicContact CB-CG1 4.03Å; D284-I286 PolarHBondContact O-N 2.78Å
285K96.3Very high95.8Very high181 Ų18163.8 Ų63.879%0.78730%0.304SS*.THydrogen-bonded Turntrans54.234.3-179.5-56.8178.3-177.71760113.4M281 R283 T287M281-K285 CarbonylContact O-C 3.58Å; M281-K285 WeakPolarHBondContact O-CA 3.34Å; M281-K285 PolarHBondContact O-N 2.7Å; R283-K285 VanDerWaalsContact C-N 3.32Å; R283-K285 PolarHBondContact O-N 3.48Å; K285-T287 PolarHBondContact O-N 3.13Å
286I96.4Very high96Very high13 Ų1359.9 Ų59.97%0.06728%0.28CS..  trans-74.7116.3176.1-57.8173.2000108.2P76 V110 M281 D284 V288 R297P76-I286 HydrophobicContact CG-CG2 4.34Å; V110-I286 HydrophobicContact CG1-CD1 4.39Å; M281-I286 HydrophobicContact CB-CB 4.17Å; M281-I286 HydrophobicContact CG-CB 4.12Å; M281-I286 HydrophobicContact CG-CG2 4.45Å; M281-I286 PolarHBondContact O-N 3.13Å; D284-I286 HydrophobicContact CB-CD1 4.17Å; D284-I286 HydrophobicContact CB-CG1 4.03Å; D284-I286 PolarHBondContact O-N 2.78Å; I286-V288 HydrophobicContact CG2-CG1 4.28Å; I286-R297 HydrophobicContact CD1-CG 4.3Å
287T93.7Very high96Very high108 Ų10860.2 Ų60.266%0.66327%0.273SS*.  trans-102.4131.3177.6-57.80000109.5K285K285-T287 PolarHBondContact O-N 3.13Å
288V95.4Very high96.1Very high30 Ų3060.3 Ų60.318%0.18227%0.273CS..  trans-129.4155178.1-630000109.8L75 M281 I286 D290 L293L75-V288 HydrophobicContact CD2-CG1 3.8Å; M281-V288 HydrophobicContact CE-CB 4.22Å; M281-V288 HydrophobicContact CE-CG1 3.78Å; M281-V288 HydrophobicContact CE-CG2 3.4Å; M281-V288 VanDerWaalsContact CE-CG2 3.4Å; I286-V288 HydrophobicContact CG2-CG1 4.28Å; V288-D290 VanDerWaalsContact C-N 3.29Å; V288-D290 WeakPolarHBondContact CG2-O 3.15Å; V288-D290 PolarHBondContact O-N 2.9Å; V288-L293 HydrophobicContact CB-CB 4.14Å; V288-L293 HydrophobicContact CG1-CB 4.29Å; V288-L293 HydrophobicContact CG2-CB 4.33Å
289N94.4Very high96.2Very high53 Ų5362.5 Ų62.528%0.28329%0.29SS..SBendtrans-76.1-17.7-179.1-65-17.1000113.4V27 P28 N71V27-N289 WeakPolarHBondContact CG2-ND2 3.38Å; P28-N289 PolarHBondContact O-ND2 2.87Å; N71-N289 HydrophobicContact CB-CB 4.34Å; N71-N289 VanDerWaalsContact OD1-CB 3.23Å; N71-N289 WeakPolarHBondContact OD1-CB 3.34Å; N71-N289 PolarHBondContact OD1-ND2 3.14Å
290D93.5Very high96.3Very high30 Ų3056.3 Ų56.316%0.1627%0.265CS..SBendtrans-140.8130.9179.8-170.8-31.4000109.4L63 V288 Q292 L293L63-D290 HydrophobicContact CD1-CB 4.43Å; L63-D290 WeakPolarHBondContact CD1-OD2 3.31Å; V288-D290 VanDerWaalsContact C-N 3.29Å; V288-D290 WeakPolarHBondContact CG2-O 3.15Å; V288-D290 PolarHBondContact O-N 2.9Å; D290-Q292 PolarHBondContact O-N 3.13Å; D290-Q292 VanDerWaalsContact O-N 3.16Å; D290-Q292 WeakPolarHBondContact OD1-CB 3.38Å; D290-Q292 WeakPolarHBondContact OD1-CG 3.39Å; D290-Q292 PolarHBondContact OD1-N 3.32Å; D290-L293 HydrophobicContact CB-CD1 4.38Å; D290-L293 HydrophobicContact CB-CG 4.38Å; D290-L293 WeakPolarHBondContact O-CB 3.36Å; D290-L293 PolarHBondContact O-N 3.34Å
291R91.7Very high96.3Very high176 Ų17661.9 Ų61.966%0.66429%0.291SS*.G310 helixtrans-57.6-28.3177.5-177.1178.7171.5-179.50.4112.5E278 L293 A294E278-R291 VanDerWaalsContact CD-NH2 3.28Å; E278-R291 IonicContact OE1-CZ 2.92Å; E278-R291 VanDerWaalsContact OE1-CZ 3.24Å; E278-R291 IonicContact OE1-NE 3.87Å; E278-R291 PolarHBondContact OE1-NE 2.8Å; E278-R291 IonicContact OE1-NH2 2.71Å; E278-R291 PolarHBondContact OE1-NH2 2.82Å; E278-R291 IonicContact OE2-CZ 2.87Å; E278-R291 IonicContact OE2-NE 3.65Å; E278-R291 IonicContact OE2-NH2 3.47Å; E278-R291 PolarHBondContact OE2-NH2 3.35Å; R291-L293 PolarHBondContact O-N 3.41Å; R291-A294 PolarHBondContact O-N 2.87Å
292Q94.3Very high96.4Very high45 Ų4562.7 Ų62.721%0.2130%0.295CS..G310 helixtrans-67.9-11.8176.7-59.3-174.7-13.700113.3Y92 G93 D290 A294Y92-Q292 HydrophobicContact CD1-CB 3.94Å; Y92-Q292 HydrophobicContact CD2-CB 4.25Å; Y92-Q292 HydrophobicContact CD2-CG 3.94Å; Y92-Q292 HydrophobicContact CE1-CB 3.76Å; Y92-Q292 HydrophobicContact CE1-CG 4.23Å; Y92-Q292 WeakPolarHBondContact CE1-O 3.11Å; Y92-Q292 HydrophobicContact CE2-CB 4.09Å; Y92-Q292 HydrophobicContact CE2-CG 3.63Å; Y92-Q292 HydrophobicContact CG-CB 4.18Å; Y92-Q292 HydrophobicContact CG-CG 4.38Å; G93-Q292 VanDerWaalsContact N-CB 3.34Å; G93-Q292 VanDerWaalsContact N-OE1 3.08Å; D290-Q292 PolarHBondContact O-N 3.13Å; D290-Q292 VanDerWaalsContact O-N 3.16Å; D290-Q292 WeakPolarHBondContact OD1-CB 3.38Å; D290-Q292 WeakPolarHBondContact OD1-CG 3.39Å; D290-Q292 PolarHBondContact OD1-N 3.32Å; Q292-A294 PolarHBondContact O-N 3.33Å
293L96.1Very high96.5Very high1 Ų154.3 Ų54.31%0.00526%0.258CS..G310 helixtrans-86.231.8170.1-66.9174.7000112.7N71 V72 L75 G93 F94 V288 D290 R291 C295N71-L293 HydrophobicContact CB-CD1 3.57Å; V72-L293 HydrophobicContact CG2-CD2 4.01Å; L75-L293 HydrophobicContact CD1-CD2 4.44Å; L75-L293 HydrophobicContact CD2-CB 4.34Å; L75-L293 HydrophobicContact CD2-CD1 4.47Å; G93-L293 VanDerWaalsContact C-CD2 3.43Å; F94-L293 HydrophobicContact CD2-CD2 3.46Å; F94-L293 VanDerWaalsContact CD2-CD2 3.46Å; F94-L293 HydrophobicContact CE2-CD2 3.66Å; V288-L293 HydrophobicContact CB-CB 4.14Å; V288-L293 HydrophobicContact CG1-CB 4.29Å; V288-L293 HydrophobicContact CG2-CB 4.33Å; D290-L293 HydrophobicContact CB-CD1 4.38Å; D290-L293 HydrophobicContact CB-CG 4.38Å; D290-L293 WeakPolarHBondContact O-CB 3.36Å; D290-L293 PolarHBondContact O-N 3.34Å; R291-L293 PolarHBondContact O-N 3.41Å; L293-C295 PolarHBondContact O-N 2.76Å; L293-C295 PolarHBondContact O-SG 3.36Å
294A97.2Very high96.6Very high0 Ų051.1 Ų51.10%025%0.249CC..  trans-55130.9176.400000110.5S112 L274 E278 M281 R291 Q292S112-A294 PolarHBondContact OG-O 3.42Å; L274-A294 HydrophobicContact CD2-CB 3.85Å; E278-A294 HydrophobicContact CG-CB 4.2Å; M281-A294 WeakPolarHBondContact SD-CA 3.01Å; M281-A294 HydrophobicContact SD-CB 4Å; R291-A294 PolarHBondContact O-N 2.87Å; Q292-A294 PolarHBondContact O-N 3.33Å
295C98.3Very high96.7Very high0 Ų050.8 Ų50.80%025%0.247CC..  trans-153.3164.2-17258.50000111.4V110 V111 M281 L293V110-C295 HydrophobicContact CB-CB 4.04Å; V110-C295 HydrophobicContact CG2-CB 4.22Å; V111-C295 VanDerWaalsContact O-CA 3.23Å; V111-C295 WeakPolarHBondContact O-CA 3.18Å; V111-C295 WeakPolarHBondContact O-CB 3.19Å; M281-C295 WeakPolarHBondContact CG-O 3.47Å; M281-C295 PolarHBondContact SD-N 2.78Å; L293-C295 PolarHBondContact O-N 2.76Å; L293-C295 PolarHBondContact O-SG 3.36Å
296A98.5Very high96.8Very high0 Ų042.6 Ų42.60%021%0.211CC..EExtended strand (participates in β ladder)trans-132.6160.3169.800000109.4V110 V111 M277 A280 I298 E302V110-A296 CarbonylContact C-O 3.53Å; V110-A296 WeakPolarHBondContact CA-O 3.31Å; V110-A296 WeakPolarHBondContact CB-O 3.34Å; V111-A296 PolarHBondContact N-O 3.34Å; V111-A296 PolarHBondContact O-N 2.96Å; V111-A296 VanDerWaalsContact O-N 3.1Å; M277-A296 HydrophobicContact CE-CB 4.26Å; M277-A296 HydrophobicContact CG-CB 3.84Å; M277-A296 HydrophobicContact SD-CB 4.15Å; A280-A296 HydrophobicContact CB-CB 4.08Å; A296-I298 PolarHBondContact O-N 3.24Å; A296-E302 HydrophobicContact CB-CB 4.05Å
297R98.5Very high96.9Very high46 Ų4642.8 Ų42.817%0.17421%0.213CC..EExtended strand (participates in β ladder)trans-58.1139.3171-56-60.1-168.1179.910.5108.8N108 A109 I286 T299 S300N108-R297 VanDerWaalsContact C-NH1 3.32Å; N108-R297 VanDerWaalsContact CB-NH1 3.3Å; N108-R297 PolarHBondContact O-NH1 3Å; N108-R297 PolarHBondContact OD1-NH2 3Å; A109-R297 CarbonylContact O-C 3.57Å; A109-R297 VanDerWaalsContact O-CA 3.31Å; A109-R297 WeakPolarHBondContact O-CA 3.36Å; I286-R297 HydrophobicContact CD1-CG 4.3Å; R297-T299 PolarHBondContact O-N 3.23Å; R297-T299 VanDerWaalsContact O-N 3.17Å; R297-S300 WeakPolarHBondContact O-CB 2.97Å; R297-S300 PolarHBondContact O-N 3.3Å; R297-S300 PolarHBondContact O-OG 3.12Å
298I98.4Very high97.2Very high3 Ų341.1 Ų41.12%0.01520%0.196CC..THydrogen-bonded Turntrans-54-40.4-179.5-67.3175.3000110.6F102 M104 A109 V111 A296 S300 Q304 L307 L371F102-I298 HydrophobicContact CB-CD1 4.1Å; M104-I298 HydrophobicContact CE-CG2 3.73Å; M104-I298 HydrophobicContact SD-CD1 3.96Å; M104-I298 HydrophobicContact SD-CG2 3.74Å; A109-I298 HydrophobicContact CB-CD1 3.64Å; A109-I298 HydrophobicContact CB-CG1 4.31Å; A109-I298 PolarHBondContact O-N 2.99Å; V111-I298 HydrophobicContact CB-CG1 4.3Å; A296-I298 PolarHBondContact O-N 3.24Å; I298-S300 VanDerWaalsContact C-N 3.34Å; I298-S300 PolarHBondContact O-N 3.23Å; I298-Q304 PolarHBondContact O-NE2 3.13Å; I298-L307 HydrophobicContact CG2-CD1 4.23Å; I298-L371 HydrophobicContact CD1-CB 3.9Å; I298-L371 HydrophobicContact CD1-CD2 3.68Å; I298-L371 HydrophobicContact CD1-CG 4.46Å; I298-L371 HydrophobicContact CG1-CD2 3.84Å
299T97.3Very high97.3Very high94 Ų9439.7 Ų39.758%0.57719%0.187SC*.THydrogen-bonded Turntrans-81.8-6.6-177.155.80000114.2R297R297-T299 PolarHBondContact O-N 3.23Å; R297-T299 VanDerWaalsContact O-N 3.17Å
300S98.1Very high97.5Very high17 Ų1737.2 Ų37.212%0.11917%0.174CC..SBendtrans-73.7161.7177.9930000111.3R297 I298 E302 G303 Q304R297-S300 WeakPolarHBondContact O-CB 2.97Å; R297-S300 PolarHBondContact O-N 3.3Å; R297-S300 PolarHBondContact O-OG 3.12Å; I298-S300 VanDerWaalsContact C-N 3.34Å; I298-S300 PolarHBondContact O-N 3.23Å; S300-E302 VanDerWaalsContact C-N 3.28Å; S300-E302 PolarHBondContact O-N 3.13Å; S300-E302 PolarHBondContact OG-N 2.87Å; S300-E302 PolarHBondContact OG-OE2 3.06Å; S300-G303 PolarHBondContact O-N 3.35Å; S300-G303 PolarHBondContact OG-N 3.39Å; S300-G303 VanDerWaalsContact OG-N 3.16Å; S300-Q304 WeakPolarHBondContact O-CG 3.42Å; S300-Q304 PolarHBondContact O-N 2.98Å
301Q98.1Very high97.8Very high118 Ų11835.8 Ų35.855%0.55117%0.167SC*.Hα-helixtrans-55.9-44.9174.7-174.560.250.600111.4Q304 D305Q301-Q304 PolarHBondContact O-N 2.94Å; Q301-D305 PolarHBondContact NE2-OD1 3.05Å; Q301-D305 PolarHBondContact NE2-OD2 2.89Å; Q301-D305 VanDerWaalsContact O-CB 3.25Å; Q301-D305 WeakPolarHBondContact O-CB 3.23Å; Q301-D305 PolarHBondContact O-N 2.77Å
302E98.4Very high98.1Very high39 Ų3927.4 Ų27.418%0.18214%0.135CC..Hα-helixtrans-66.3-37.7178.8-57.783179.400112.6A276 A280 R283 A296 S300 Y306A276-E302 HydrophobicContact CB-CG 4.39Å; A280-E302 HydrophobicContact CB-CB 4.37Å; A280-E302 HydrophobicContact CB-CG 4.06Å; R283-E302 IonicContact CZ-OE1 3.65Å; R283-E302 IonicContact CZ-OE2 3.5Å; R283-E302 IonicContact NH1-OE1 3.5Å; R283-E302 PolarHBondContact NH1-OE1 3.32Å; R283-E302 IonicContact NH1-OE2 3.71Å; R283-E302 IonicContact NH2-OE1 3.51Å; R283-E302 PolarHBondContact NH2-OE1 2.81Å; R283-E302 IonicContact NH2-OE2 3.64Å; R283-E302 PolarHBondContact NH2-OE2 2.72Å; A296-E302 HydrophobicContact CB-CB 4.05Å; S300-E302 VanDerWaalsContact C-N 3.28Å; S300-E302 PolarHBondContact O-N 3.13Å; S300-E302 PolarHBondContact OG-N 2.87Å; S300-E302 PolarHBondContact OG-OE2 3.06Å; E302-Y306 WeakPolarHBondContact O-CB 3.22Å; E302-Y306 PolarHBondContact O-N 3.07Å
303G98.4Very high98.3Very high0 Ų025.2 Ų25.20%013%0.125CC..Hα-helixtrans-64.5-49.3175.900000111.9S300 Y306 L307S300-G303 PolarHBondContact O-N 3.35Å; S300-G303 PolarHBondContact OG-N 3.39Å; S300-G303 VanDerWaalsContact OG-N 3.16Å; G303-Y306 PolarHBondContact O-N 3.05Å; G303-L307 WeakPolarHBondContact O-CG 3.37Å; G303-L307 PolarHBondContact O-N 3.34Å
304Q98.6Very high98.5Very high68 Ų6825.2 Ų25.232%0.31813%0.125SC..Hα-helixtrans-66.2-42178.5-70.2-61.6-51.900112.5I298 S300 Q301 Y306 L307 K308I298-Q304 PolarHBondContact O-NE2 3.13Å; S300-Q304 WeakPolarHBondContact O-CG 3.42Å; S300-Q304 PolarHBondContact O-N 2.98Å; Q301-Q304 PolarHBondContact O-N 2.94Å; Q304-Y306 VanDerWaalsContact C-N 3.32Å; Q304-Y306 PolarHBondContact O-N 3.03Å; Q304-L307 PolarHBondContact O-N 2.65Å; Q304-K308 VanDerWaalsContact O-CG 3.31Å; Q304-K308 WeakPolarHBondContact O-CG 3.32Å; Q304-K308 PolarHBondContact O-N 3.25Å
305D98.8Very high98.6Very high44 Ų4425.2 Ų25.224%0.23513%0.125CC..Hα-helixtrans-62.2-42176.6-75.3-17.9000111.4K206 Q301 G309K206-D305 HydrophobicContact CD-CB 4.23Å; K206-D305 VanDerWaalsContact CD-OD1 3.25Å; K206-D305 WeakPolarHBondContact CD-OD1 3.49Å; K206-D305 WeakPolarHBondContact CE-OD1 3.33Å; K206-D305 IonicContact NZ-OD1 2.7Å; K206-D305 PolarHBondContact NZ-OD1 2.84Å; K206-D305 IonicContact NZ-OD2 2.72Å; Q301-D305 PolarHBondContact NE2-OD1 3.05Å; Q301-D305 PolarHBondContact NE2-OD2 2.89Å; Q301-D305 VanDerWaalsContact O-CB 3.25Å; Q301-D305 WeakPolarHBondContact O-CB 3.23Å; Q301-D305 PolarHBondContact O-N 2.77Å; D305-G309 PolarHBondContact O-N 3.05Å
306Y98.8Very high98.6Very high9 Ų925.2 Ų25.24%0.03513%0.125CC..Hα-helixtrans-63.9-46.1174.6172-115.1000112.2V111 P113 V116 I120 V269 A273 M277 E302 G303 Q304 K308 G309 M310V111-Y306 HydrophobicContact CG1-CD1 4.38Å; V111-Y306 HydrophobicContact CG2-CD1 3.55Å; V111-Y306 HydrophobicContact CG2-CE1 3.63Å; P113-Y306 WeakPolarHBondContact CA-OH 3.35Å; P113-Y306 HydrophobicContact CB-CE1 4.35Å; P113-Y306 HydrophobicContact CB-CE2 3.99Å; P113-Y306 HydrophobicContact CG-CD1 4.2Å; P113-Y306 HydrophobicContact CG-CD2 4.11Å; P113-Y306 HydrophobicContact CG-CE1 3.97Å; P113-Y306 HydrophobicContact CG-CE2 3.88Å; P113-Y306 HydrophobicContact CG-CG 4.26Å; V116-Y306 WeakPolarHBondContact CB-OH 3.37Å; V116-Y306 HydrophobicContact CG2-CE1 4.48Å; V116-Y306 WeakPolarHBondContact CG2-OH 3.44Å; I120-Y306 HydrophobicContact CD1-CE2 4.42Å; V269-Y306 HydrophobicContact CG1-CE2 4.47Å; A273-Y306 HydrophobicContact CB-CD2 3.33Å; A273-Y306 HydrophobicContact CB-CE2 3.99Å; A273-Y306 HydrophobicContact CB-CG 3.91Å; M277-Y306 VanDerWaalsContact CE-CB 3.46Å; M277-Y306 HydrophobicContact CE-CD1 3.64Å; M277-Y306 HydrophobicContact CE-CG 3.64Å; E302-Y306 WeakPolarHBondContact O-CB 3.22Å; E302-Y306 PolarHBondContact O-N 3.07Å; G303-Y306 PolarHBondContact O-N 3.05Å; Q304-Y306 VanDerWaalsContact C-N 3.32Å; Q304-Y306 PolarHBondContact O-N 3.03Å; Y306-K308 VanDerWaalsContact C-N 3.32Å; Y306-K308 PolarHBondContact O-N 3.15Å; Y306-G309 PolarHBondContact O-N 3.49Å; Y306-M310 HydrophobicContact CD2-CB 4.45Å; Y306-M310 HydrophobicContact CE1-SD 4.33Å; Y306-M310 HydrophobicContact CE2-CB 4.03Å; Y306-M310 WeakPolarHBondContact O-CB 3.46Å; Y306-M310 PolarHBondContact O-N 2.9Å
307L98.9Very high98.6Very high17 Ų1725.2 Ų25.29%0.08913%0.125CC..Hα-helixtrans-60.3-41.5-179.8-74.5171.3000112.2V111 I298 G303 Q304 M310 A311 L371V111-L307 HydrophobicContact CG2-CD2 3.79Å; V111-L307 HydrophobicContact CG2-CG 4.17Å; I298-L307 HydrophobicContact CG2-CD1 4.23Å; G303-L307 WeakPolarHBondContact O-CG 3.37Å; G303-L307 PolarHBondContact O-N 3.34Å; Q304-L307 PolarHBondContact O-N 2.65Å; L307-M310 HydrophobicContact CD2-CE 4.07Å; L307-A311 WeakPolarHBondContact O-CB 3.45Å; L307-A311 PolarHBondContact O-N 3.36Å; L307-L371 HydrophobicContact CD1-CD2 4.39Å; L307-L371 HydrophobicContact CD2-CD1 3.95Å; L307-L371 HydrophobicContact CD2-CD2 4.09Å
308K98.9Very high98.6Very high73 Ų7323 Ų2332%0.31712%0.116SC..Hα-helixtrans-68.8-41.1176.2-65.9177.1175.4-174.80112.7Q201 D203 K206 Q304 Y306 A311 A312Q201-K308 WeakPolarHBondContact O-CG 3.37Å; D203-K308 HydrophobicContact CB-CB 3.8Å; D203-K308 HydrophobicContact CB-CD 4.03Å; D203-K308 HydrophobicContact CB-CG 4.34Å; D203-K308 PolarHBondContact N-O 3.47Å; K206-K308 HydrophobicContact CB-CB 4.3Å; K206-K308 HydrophobicContact CG-CB 3.99Å; K206-K308 HydrophobicContact CG-CD 4.32Å; Q304-K308 VanDerWaalsContact O-CG 3.31Å; Q304-K308 WeakPolarHBondContact O-CG 3.32Å; Q304-K308 PolarHBondContact O-N 3.25Å; Y306-K308 VanDerWaalsContact C-N 3.32Å; Y306-K308 PolarHBondContact O-N 3.15Å; K308-A311 PolarHBondContact O-N 2.99Å; K308-A312 PolarHBondContact O-N 3.42Å
309G98.8Very high98.6Very high0 Ų022.9 Ų22.90%012%0.116CC..Hα-helixtrans-68.1-36.6175.500000113D305 Y306 A312 A313D305-G309 PolarHBondContact O-N 3.05Å; Y306-G309 PolarHBondContact O-N 3.49Å; G309-A312 PolarHBondContact O-N 2.88Å; G309-A313 PolarHBondContact O-N 3.25Å
310M98.8Very high98.7Very high1 Ų118.4 Ų18.41%0.0059%0.088CC..Hα-helixtrans-65.8-44.2173.3178.4-157.971.500110.7V116 I120 M199 Y306 L307 A312 A313 G314 I355 A356V116-M310 HydrophobicContact CG1-CG 4.4Å; V116-M310 HydrophobicContact CG1-SD 4.09Å; V116-M310 HydrophobicContact CG2-SD 3.78Å; I120-M310 HydrophobicContact CD1-CB 4.31Å; I120-M310 HydrophobicContact CD1-CG 4.15Å; I120-M310 HydrophobicContact CG1-CG 4.48Å; I120-M310 HydrophobicContact CG2-CG 3.61Å; M199-M310 HydrophobicContact CE-CE 3.97Å; Y306-M310 HydrophobicContact CD2-CB 4.45Å; Y306-M310 HydrophobicContact CE1-SD 4.33Å; Y306-M310 HydrophobicContact CE2-CB 4.03Å; Y306-M310 WeakPolarHBondContact O-CB 3.46Å; Y306-M310 PolarHBondContact O-N 2.9Å; L307-M310 HydrophobicContact CD2-CE 4.07Å; M310-A312 VanDerWaalsContact C-N 3.32Å; M310-A312 PolarHBondContact O-N 2.72Å; M310-A313 CarbonylContact O-C 3.55Å; M310-A313 PolarHBondContact O-N 3.09Å; M310-G314 PolarHBondContact O-N 3.32Å; M310-I355 HydrophobicContact CE-CD1 4.29Å; M310-I355 HydrophobicContact CG-CD1 4.31Å; M310-I355 HydrophobicContact SD-CD1 4.32Å; M310-A356 HydrophobicContact CE-CB 4.05Å; M310-A356 WeakPolarHBondContact CE-O 3.37Å; M310-A356 HydrophobicContact SD-CB 3.84Å
311A98.9Very high98.7Very high0 Ų017.6 Ų17.60%08%0.083CC..Hα-helixtrans-59-43.3174.300000111.7M199 Q201 A202 L307 K308 G314 N315M199-A311 HydrophobicContact CB-CB 3.76Å; M199-A311 HydrophobicContact CE-CB 3.97Å; M199-A311 HydrophobicContact SD-CB 4.24Å; Q201-A311 HydrophobicContact CG-CB 3.83Å; A202-A311 HydrophobicContact CB-CB 4.01Å; L307-A311 WeakPolarHBondContact O-CB 3.45Å; L307-A311 PolarHBondContact O-N 3.36Å; K308-A311 PolarHBondContact O-N 2.99Å; A311-G314 WeakPolarHBondContact O-CA 3.47Å; A311-G314 PolarHBondContact O-N 3.23Å; A311-G314 VanDerWaalsContact O-N 3.12Å; A311-N315 PolarHBondContact O-N 3.17Å; A311-N315 PolarHBondContact O-OD1 3.46Å
312A98.9Very high98.7Very high0 Ų012 Ų120%06%0.056CC..Hα-helixtrans-62.4-43.517400000112.5L172 A202 V207 K308 G309 M310 G314 N315 Y316L172-A312 HydrophobicContact CB-CB 4.22Å; L172-A312 HydrophobicContact CD2-CB 4.16Å; L172-A312 VanDerWaalsContact CD2-O 3.24Å; L172-A312 WeakPolarHBondContact CD2-O 3.31Å; A202-A312 HydrophobicContact CB-CB 4.05Å; V207-A312 HydrophobicContact CG2-CB 3.55Å; K308-A312 PolarHBondContact O-N 3.42Å; G309-A312 PolarHBondContact O-N 2.88Å; M310-A312 VanDerWaalsContact C-N 3.32Å; M310-A312 PolarHBondContact O-N 2.72Å; A312-G314 VanDerWaalsContact C-N 3.26Å; A312-G314 PolarHBondContact O-N 2.97Å; A312-N315 WeakPolarHBondContact O-CB 3.4Å; A312-N315 PolarHBondContact O-N 2.97Å; A312-Y316 PolarHBondContact O-N 2.57Å
313A98.9Very high98.6Very high0 Ų010.1 Ų10.10%05%0.048CC..Hα-helixtrans-63.6-33.1172.900000112.5I120 S262 L265 V269 G309 M310 Y316 A317I120-A313 HydrophobicContact CB-CB 4.09Å; I120-A313 HydrophobicContact CD1-CB 4.07Å; I120-A313 HydrophobicContact CG2-CB 3.94Å; S262-A313 WeakPolarHBondContact CB-O 3.29Å; L265-A313 HydrophobicContact CD2-CB 3.69Å; V269-A313 HydrophobicContact CG2-CB 4.37Å; G309-A313 PolarHBondContact O-N 3.25Å; M310-A313 CarbonylContact O-C 3.55Å; M310-A313 PolarHBondContact O-N 3.09Å; A313-Y316 PolarHBondContact O-N 3.03Å; A313-A317 PolarHBondContact O-N 3.44Å; A313-A317 VanDerWaalsContact O-N 3.07Å
314G98.7Very high98.6Very high0 Ų010.1 Ų10.10%05%0.048CC..Hα-helixtrans-60.6-50.4171.900000112N121 M310 A311 A312 Y316 A317 W318N121-G314 PolarHBondContact ND2-O 3.49Å; M310-G314 PolarHBondContact O-N 3.32Å; A311-G314 WeakPolarHBondContact O-CA 3.47Å; A311-G314 PolarHBondContact O-N 3.23Å; A311-G314 VanDerWaalsContact O-N 3.12Å; A312-G314 VanDerWaalsContact C-N 3.26Å; A312-G314 PolarHBondContact O-N 2.97Å; G314-Y316 VanDerWaalsContact C-N 3.33Å; G314-Y316 PolarHBondContact O-N 3.22Å; G314-A317 WeakPolarHBondContact O-CB 3.47Å; G314-A317 PolarHBondContact O-N 3.16Å; G314-A317 VanDerWaalsContact O-N 3.1Å; G314-W318 VanDerWaalsContact O-CE3 3.31Å; G314-W318 PolarHBondContact O-N 3.48Å; G314-W318 VanDerWaalsContact O-N 3.12Å
315N98.9Very high98.6Very high0 Ų06.9 Ų6.90%03%0.032CC..Hα-helixtrans-55.6-47174.5-69.9-4.8000111.7L172 E173 R198 M199 A202 A311 A312 A317 W318 V319L172-N315 VanDerWaalsContact O-CB 3.29Å; L172-N315 WeakPolarHBondContact O-CB 3.49Å; L172-N315 PolarHBondContact O-ND2 2.97Å; E173-N315 PolarHBondContact O-ND2 3.36Å; R198-N315 WeakPolarHBondContact CA-OD1 3.28Å; M199-N315 PolarHBondContact N-OD1 2.9Å; M199-N315 PolarHBondContact O-ND2 3.5Å; A202-N315 WeakPolarHBondContact CB-ND2 3.24Å; A311-N315 PolarHBondContact O-N 3.17Å; A311-N315 PolarHBondContact O-OD1 3.46Å; A312-N315 WeakPolarHBondContact O-CB 3.4Å; A312-N315 PolarHBondContact O-N 2.97Å; N315-A317 VanDerWaalsContact C-N 3.32Å; N315-A317 PolarHBondContact O-N 3.2Å; N315-W318 PolarHBondContact O-N 2.88Å; N315-V319 WeakPolarHBondContact O-CG2 3.34Å; N315-V319 PolarHBondContact O-N 3.4Å
316Y98.8Very high98.6Very high0 Ų07.4 Ų7.40%03%0.033CC..Hα-helixtrans-57.8-40.9175.6177.1-83.6000113L168 L172 G215 Q218 L219 S262 R263 L265 A312 A313 G314 V319 N320L168-Y316 HydrophobicContact CD1-CD2 3.66Å; L168-Y316 HydrophobicContact CD1-CE2 3.74Å; L172-Y316 HydrophobicContact CD2-CD2 4.5Å; G215-Y316 PolarHBondContact O-OH 3.18Å; Q218-Y316 VanDerWaalsContact C-OH 3.26Å; L219-Y316 WeakPolarHBondContact CA-OH 3.43Å; L219-Y316 HydrophobicContact CB-CE2 4.14Å; L219-Y316 HydrophobicContact CD1-CD2 3.96Å; L219-Y316 HydrophobicContact CD1-CE1 4.32Å; L219-Y316 HydrophobicContact CD1-CE2 3.62Å; L219-Y316 HydrophobicContact CD1-CG 4.45Å; L219-Y316 HydrophobicContact CG-CE2 4.47Å; L219-Y316 PolarHBondContact N-OH 3.08Å; L219-Y316 VanDerWaalsContact N-OH 3.11Å; S262-Y316 VanDerWaalsContact O-CE1 3.3Å; S262-Y316 WeakPolarHBondContact O-CE1 3.43Å; R263-Y316 HydrophobicContact CB-CE1 4.22Å; R263-Y316 HydrophobicContact CG-CE1 4.04Å; L265-Y316 HydrophobicContact CB-CD1 4.39Å; L265-Y316 HydrophobicContact CB-CE1 4.37Å; L265-Y316 HydrophobicContact CD1-CD2 3.87Å; L265-Y316 HydrophobicContact CD1-CE2 4.15Å; L265-Y316 HydrophobicContact CD1-CG 4.15Å; A312-Y316 PolarHBondContact O-N 2.57Å; A313-Y316 PolarHBondContact O-N 3.03Å; G314-Y316 VanDerWaalsContact C-N 3.33Å; G314-Y316 PolarHBondContact O-N 3.22Å; Y316-V319 PolarHBondContact O-N 3.32Å; Y316-N320 WeakPolarHBondContact O-CB 3.39Å; Y316-N320 PolarHBondContact O-N 2.79Å
317A98.7Very high98.6Very high0 Ų07.6 Ų7.60%03%0.034CC..Hα-helixtrans-67.1-38.5178.700000112.9N121 A313 G314 N315 N320 R321N121-A317 HydrophobicContact CB-CB 3.66Å; N121-A317 WeakPolarHBondContact O-CB 3.29Å; A313-A317 PolarHBondContact O-N 3.44Å; A313-A317 VanDerWaalsContact O-N 3.07Å; G314-A317 WeakPolarHBondContact O-CB 3.47Å; G314-A317 PolarHBondContact O-N 3.16Å; G314-A317 VanDerWaalsContact O-N 3.1Å; N315-A317 VanDerWaalsContact C-N 3.32Å; N315-A317 PolarHBondContact O-N 3.2Å; A317-N320 WeakPolarHBondContact O-CB 3.48Å; A317-N320 PolarHBondContact O-N 3.25Å; A317-R321 PolarHBondContact O-N 3.23Å
318W98.8Very high98.6Very high0 Ų06.8 Ų6.80%03%0.03CC..Hα-helixtrans-67.2-41.2174.4-75.4-56.9000111.9V176 E194 E195 G197 M199 G314 N315 N320 R321 S322 D350V176-W318 HydrophobicContact CG2-CB 3.8Å; E194-W318 HydrophobicContact CB-CZ2 4.44Å; E194-W318 VanDerWaalsContact O-CZ2 3.26Å; E194-W318 WeakPolarHBondContact O-CZ2 3.28Å; E195-W318 HydrophobicContact CB-CH2 3.8Å; E195-W318 HydrophobicContact CB-CZ2 4.22Å; E195-W318 HydrophobicContact CB-CZ3 4.39Å; E195-W318 HydrophobicContact CG-CH2 3.73Å; E195-W318 HydrophobicContact CG-CZ2 4.18Å; G197-W318 VanDerWaalsContact C-CE3 3.44Å; M199-W318 HydrophobicContact CB-CZ3 4.41Å; M199-W318 HydrophobicContact CG-CH2 3.79Å; M199-W318 HydrophobicContact CG-CZ3 3.71Å; M199-W318 HydrophobicContact SD-CH2 3.99Å; M199-W318 HydrophobicContact SD-CZ3 4.11Å; G314-W318 VanDerWaalsContact O-CE3 3.31Å; G314-W318 PolarHBondContact O-N 3.48Å; G314-W318 VanDerWaalsContact O-N 3.12Å; N315-W318 PolarHBondContact O-N 2.88Å; W318-N320 VanDerWaalsContact C-N 3.28Å; W318-N320 PolarHBondContact O-N 2.78Å; W318-R321 VanDerWaalsContact NE1-NH2 3.2Å; W318-R321 PolarHBondContact O-N 3.22Å; W318-S322 WeakPolarHBondContact O-CB 3.43Å; W318-S322 PolarHBondContact O-N 2.72Å; W318-D350 PolarHBondContact NE1-OD1 2.84Å
319V98.4Very high98.6Very high0 Ų03.5 Ų3.50%02%0.016CC..Hα-helixtrans-58.5-43.9171177.30000109.9A171 G175 W178 L219 N315 Y316 R321 S322 S323A171-V319 HydrophobicContact CB-CG1 4.38Å; A171-V319 HydrophobicContact CB-CG2 4.25Å; G175-V319 WeakPolarHBondContact O-CG2 3.43Å; W178-V319 HydrophobicContact CE3-CG1 3.57Å; W178-V319 HydrophobicContact CZ3-CG1 3.71Å; L219-V319 HydrophobicContact CD1-CB 4.2Å; L219-V319 HydrophobicContact CD1-CG1 3.81Å; L219-V319 HydrophobicContact CD2-CG1 3.74Å; L219-V319 HydrophobicContact CG-CG1 4.28Å; N315-V319 WeakPolarHBondContact O-CG2 3.34Å; N315-V319 PolarHBondContact O-N 3.4Å; Y316-V319 PolarHBondContact O-N 3.32Å; V319-R321 PolarHBondContact O-N 3.15Å; V319-S322 PolarHBondContact O-N 2.7Å; V319-S323 WeakPolarHBondContact O-CB 3.47Å; V319-S323 PolarHBondContact O-N 2.62Å; V319-S323 PolarHBondContact O-OG 3.16Å
320N98.4Very high98.5Very high0 Ų07.1 Ų7.10%03%0.033CC..Hα-helixtrans-58.3-47.9177.7-171.747.2000112.3L219 G220 T221 S260 G261 Y316 A317 W318 S323 M324L219-N320 HydrophobicContact CD1-CB 4.01Å; G220-N320 VanDerWaalsContact CA-OD1 3.24Å; G220-N320 WeakPolarHBondContact CA-OD1 3.44Å; G220-N320 PolarHBondContact N-OD1 3.4Å; T221-N320 PolarHBondContact N-OD1 2.92Å; T221-N320 PolarHBondContact O-ND2 2.9Å; T221-N320 VanDerWaalsContact O-ND2 3.09Å; T221-N320 PolarHBondContact O-OD1 2.84Å; S260-N320 PolarHBondContact OG-ND2 3.44Å; G261-N320 PolarHBondContact O-ND2 2.98Å; G261-N320 VanDerWaalsContact O-ND2 3.12Å; Y316-N320 WeakPolarHBondContact O-CB 3.39Å; Y316-N320 PolarHBondContact O-N 2.79Å; A317-N320 WeakPolarHBondContact O-CB 3.48Å; A317-N320 PolarHBondContact O-N 3.25Å; W318-N320 VanDerWaalsContact C-N 3.28Å; W318-N320 PolarHBondContact O-N 2.78Å; N320-S323 WeakPolarHBondContact O-CB 3.37Å; N320-S323 PolarHBondContact O-N 2.78Å; N320-M324 PolarHBondContact O-N 3.4Å
321R98.6Very high98.5Very high0 Ų07.1 Ų7.10%03%0.032CC..Hα-helixtrans-67.2-36.3176.9-71.5-165.3-66.8-87.66.4112.6N121 S260 A317 W318 V319 M324 T325 D350N121-R321 PolarHBondContact O-NH1 2.87Å; N121-R321 PolarHBondContact OD1-NH2 2.9Å; N121-R321 VanDerWaalsContact OD1-NH2 3.15Å; S260-R321 PolarHBondContact O-NH1 3.36Å; A317-R321 PolarHBondContact O-N 3.23Å; W318-R321 VanDerWaalsContact NE1-NH2 3.2Å; W318-R321 PolarHBondContact O-N 3.22Å; V319-R321 PolarHBondContact O-N 3.15Å; R321-M324 HydrophobicContact CG-CE 4.34Å; R321-M324 PolarHBondContact O-N 2.78Å; R321-T325 PolarHBondContact O-N 3.26Å; R321-T325 PolarHBondContact O-OG1 2.94Å; R321-D350 IonicContact CZ-OD1 3.84Å; R321-D350 IonicContact CZ-OD2 3.78Å; R321-D350 VanDerWaalsContact NE-CG 3.29Å; R321-D350 IonicContact NE-OD1 3.69Å; R321-D350 PolarHBondContact NE-OD1 3.31Å; R321-D350 IonicContact NE-OD2 2.78Å; R321-D350 PolarHBondContact NE-OD2 2.7Å; R321-D350 IonicContact NH2-OD1 2.68Å; R321-D350 PolarHBondContact NH2-OD1 3.12Å; R321-D350 IonicContact NH2-OD2 3.37Å
322S97.9Very high98.5Very high0 Ų07.1 Ų7.10%03%0.032CC..Hα-helixtrans-64.7-43.5174.4-161.10000112A185 W318 V319 M324 T325 F326A185-S322 WeakPolarHBondContact CB-OG 3.41Å; W318-S322 WeakPolarHBondContact O-CB 3.43Å; W318-S322 PolarHBondContact O-N 2.72Å; V319-S322 PolarHBondContact O-N 2.7Å; S322-M324 VanDerWaalsContact C-N 3.32Å; S322-M324 PolarHBondContact O-N 2.99Å; S322-T325 WeakPolarHBondContact O-CA 3.33Å; S322-T325 WeakPolarHBondContact O-CB 3.34Å; S322-T325 PolarHBondContact O-N 2.87Å; S322-F326 PolarHBondContact O-N 3.46Å
323S97.6Very high98.5Very high0 Ų08.4 Ų8.40%04%0.042CC..Hα-helixtrans-57.2-43.8172.5-66.40000112.2I161 V319 N320 T325 F326 L327I161-S323 WeakPolarHBondContact CD1-OG 3.29Å; V319-S323 WeakPolarHBondContact O-CB 3.47Å; V319-S323 PolarHBondContact O-N 2.62Å; V319-S323 PolarHBondContact O-OG 3.16Å; N320-S323 WeakPolarHBondContact O-CB 3.37Å; N320-S323 PolarHBondContact O-N 2.78Å; S323-T325 VanDerWaalsContact C-N 3.34Å; S323-F326 WeakPolarHBondContact O-CB 3.4Å; S323-F326 PolarHBondContact O-N 3.29Å; S323-L327 VanDerWaalsContact O-CG 3.31Å; S323-L327 WeakPolarHBondContact O-CG 3.37Å; S323-L327 PolarHBondContact O-N 2.97Å
324M98.2Very high98.5Very high0 Ų014.9 Ų14.90%07%0.07CC..Hα-helixtrans-70.1-28.9174.9-72.9-176-71.700113.4I151 L222 I258 N320 R321 S322 L327 T328I151-M324 HydrophobicContact CG2-CG 4.04Å; I151-M324 HydrophobicContact CG2-SD 3.94Å; L222-M324 VanDerWaalsContact CA-SD 3.59Å; L222-M324 HydrophobicContact CB-SD 4.12Å; L222-M324 HydrophobicContact CD1-SD 3.99Å; I258-M324 HydrophobicContact CD1-CB 4.18Å; I258-M324 HydrophobicContact CG2-CB 4.13Å; I258-M324 HydrophobicContact CG2-CE 3.83Å; I258-M324 HydrophobicContact CG2-SD 4.14Å; N320-M324 PolarHBondContact O-N 3.4Å; R321-M324 HydrophobicContact CG-CE 4.34Å; R321-M324 PolarHBondContact O-N 2.78Å; S322-M324 VanDerWaalsContact C-N 3.32Å; S322-M324 PolarHBondContact O-N 2.99Å; M324-L327 PolarHBondContact O-N 3.06Å; M324-T328 VanDerWaalsContact O-CB 3.28Å; M324-T328 WeakPolarHBondContact O-CB 3.26Å; M324-T328 PolarHBondContact O-N 3.27Å; M324-T328 PolarHBondContact O-OG1 2.85Å
325T98.6Very high98.5Very high0 Ų016 Ų160%08%0.077CC..Hα-helixtrans-60.9-48.4171.1-55.80000109.5R125 L127 R321 S322 S323 L327 T328 R329 V347R125-T325 WeakPolarHBondContact CD-OG1 3.25Å; R125-T325 PolarHBondContact NH1-OG1 3.17Å; R125-T325 VanDerWaalsContact NH1-OG1 3.13Å; L127-T325 HydrophobicContact CD1-CG2 4.4Å; L127-T325 HydrophobicContact CD2-CG2 3.69Å; L127-T325 HydrophobicContact CG-CG2 4.33Å; R321-T325 PolarHBondContact O-N 3.26Å; R321-T325 PolarHBondContact O-OG1 2.94Å; S322-T325 WeakPolarHBondContact O-CA 3.33Å; S322-T325 WeakPolarHBondContact O-CB 3.34Å; S322-T325 PolarHBondContact O-N 2.87Å; S323-T325 VanDerWaalsContact C-N 3.34Å; T325-L327 PolarHBondContact O-N 3.48Å; T325-T328 WeakPolarHBondContact O-CB 3.38Å; T325-T328 PolarHBondContact O-N 2.88Å; T325-R329 WeakPolarHBondContact O-CG 3.36Å; T325-R329 PolarHBondContact O-N 3.3Å; T325-V347 HydrophobicContact CG2-CG2 4.02Å
326F98.4Very high98.4Very high56 Ų5618.5 Ų18.525%0.2469%0.088CC..Hα-helixtrans-57.7-48.8174.8173.2-97.1000112.1Y184 S322 S323 T328 R329 Q330Y184-F326 HydrophobicContact CD1-CD1 4.03Å; Y184-F326 HydrophobicContact CD1-CD2 4.44Å; Y184-F326 HydrophobicContact CD1-CE1 4.1Å; Y184-F326 HydrophobicContact CD1-CG 4.21Å; Y184-F326 HydrophobicContact CD1-CZ 4.34Å; Y184-F326 HydrophobicContact CE1-CE1 4.46Å; S322-F326 PolarHBondContact O-N 3.46Å; S323-F326 WeakPolarHBondContact O-CB 3.4Å; S323-F326 PolarHBondContact O-N 3.29Å; F326-T328 VanDerWaalsContact C-N 3.32Å; F326-T328 PolarHBondContact O-N 2.83Å; F326-R329 WeakPolarHBondContact O-CB 3.28Å; F326-R329 PolarHBondContact O-N 3.42Å; F326-Q330 HydrophobicContact CD1-CG 4.44Å; F326-Q330 HydrophobicContact CE1-CG 4.03Å; F326-Q330 HydrophobicContact CE2-CG 4.47Å; F326-Q330 HydrophobicContact CZ-CG 4.05Å; F326-Q330 WeakPolarHBondContact O-CG 3.4Å; F326-Q330 PolarHBondContact O-N 3.15Å
327L98.2Very high98.4Very high12 Ų1222 Ų226%0.06312%0.124CC..Hα-helixtrans-64.3-36.2179.1-64.6169.5000112.7H150 I151 V160 S323 M324 T325 Q330 A331H150-L327 HydrophobicContact CB-CB 4.41Å; I151-L327 HydrophobicContact CG1-CB 3.85Å; I151-L327 HydrophobicContact CG1-CD1 4.49Å; V160-L327 HydrophobicContact CG2-CD1 3.89Å; V160-L327 HydrophobicContact CG2-CD2 3.67Å; V160-L327 HydrophobicContact CG2-CG 4.43Å; S323-L327 VanDerWaalsContact O-CG 3.31Å; S323-L327 WeakPolarHBondContact O-CG 3.37Å; S323-L327 PolarHBondContact O-N 2.97Å; M324-L327 PolarHBondContact O-N 3.06Å; T325-L327 PolarHBondContact O-N 3.48Å; L327-Q330 PolarHBondContact O-N 2.88Å; L327-A331 PolarHBondContact O-N 3.14Å
328T98.6Very high98.4Very high0 Ų024.3 Ų24.30%014%0.138CC..Hα-helixtrans-61.7-47.3173.9-62.50000110.7L147 V256 M324 T325 F326 Q330 A331 F332 M345L147-T328 HydrophobicContact CD2-CG2 3.89Å; V256-T328 HydrophobicContact CB-CG2 4.2Å; V256-T328 HydrophobicContact CG1-CG2 3.77Å; V256-T328 HydrophobicContact CG2-CG2 4.22Å; M324-T328 VanDerWaalsContact O-CB 3.28Å; M324-T328 WeakPolarHBondContact O-CB 3.26Å; M324-T328 PolarHBondContact O-N 3.27Å; M324-T328 PolarHBondContact O-OG1 2.85Å; T325-T328 WeakPolarHBondContact O-CB 3.38Å; T325-T328 PolarHBondContact O-N 2.88Å; F326-T328 VanDerWaalsContact C-N 3.32Å; F326-T328 PolarHBondContact O-N 2.83Å; T328-Q330 VanDerWaalsContact C-N 3.32Å; T328-Q330 PolarHBondContact O-N 2.67Å; T328-A331 PolarHBondContact O-N 3.15Å; T328-F332 HydrophobicContact CG2-CD2 4.11Å; T328-F332 HydrophobicContact CG2-CE2 4.1Å; T328-F332 WeakPolarHBondContact O-CD2 3.36Å; T328-F332 PolarHBondContact O-N 2.84Å; T328-M345 HydrophobicContact CG2-CE 4.04Å
329R98.7Very high98.3Very high5 Ų527.4 Ų27.42%0.01916%0.157CC..Hα-helixtrans-57.9-43.1175.8-75.1177.5177.4143.94.7111.7W186 D189 T325 F326 F332 S333 P340 M345W186-R329 VanDerWaalsContact CD2-CZ 3.43Å; W186-R329 VanDerWaalsContact CE3-CZ 3.41Å; D189-R329 IonicContact OD1-CZ 2.62Å; D189-R329 IonicContact OD1-NH1 3.65Å; D189-R329 IonicContact OD1-NH2 3.5Å; D189-R329 PolarHBondContact OD1-NH2 3.41Å; D189-R329 IonicContact OD2-CZ 2.7Å; D189-R329 IonicContact OD2-NH1 3.15Å; D189-R329 PolarHBondContact OD2-NH1 3.17Å; D189-R329 IonicContact OD2-NH2 2.92Å; D189-R329 PolarHBondContact OD2-NH2 2.8Å; T325-R329 WeakPolarHBondContact O-CG 3.36Å; T325-R329 PolarHBondContact O-N 3.3Å; F326-R329 WeakPolarHBondContact O-CB 3.28Å; F326-R329 PolarHBondContact O-N 3.42Å; R329-F332 PolarHBondContact O-N 2.85Å; R329-S333 WeakPolarHBondContact O-CB 2.97Å; R329-S333 PolarHBondContact O-N 2.86Å; R329-P340 HydrophobicContact CB-CB 3.69Å; R329-P340 HydrophobicContact CB-CG 3.69Å; R329-P340 HydrophobicContact CG-CB 3.83Å; R329-P340 HydrophobicContact CG-CG 4.38Å; R329-M345 HydrophobicContact CB-SD 4.44Å; R329-M345 HydrophobicContact CG-CB 4.05Å; R329-M345 HydrophobicContact CG-CE 4.4Å; R329-M345 HydrophobicContact CG-SD 4.11Å; R329-M345 PolarHBondContact NE-O 2.98Å; R329-M345 PolarHBondContact NH2-O 2.7Å
330Q98.3Very high98.3Very high76 Ų7628.3 Ų28.336%0.35516%0.163SC..Hα-helixtrans-63.1-42.6175.3-63.8-54.7-47.700112.5F326 L327 T328 F332 S333 K334F326-Q330 HydrophobicContact CD1-CG 4.44Å; F326-Q330 HydrophobicContact CE1-CG 4.03Å; F326-Q330 HydrophobicContact CE2-CG 4.47Å; F326-Q330 HydrophobicContact CZ-CG 4.05Å; F326-Q330 WeakPolarHBondContact O-CG 3.4Å; F326-Q330 PolarHBondContact O-N 3.15Å; L327-Q330 PolarHBondContact O-N 2.88Å; T328-Q330 VanDerWaalsContact C-N 3.32Å; T328-Q330 PolarHBondContact O-N 2.67Å; Q330-F332 PolarHBondContact O-N 3.28Å; Q330-S333 PolarHBondContact O-N 2.87Å; Q330-K334 WeakPolarHBondContact O-CB 3.48Å; Q330-K334 PolarHBondContact O-N 3.13Å
331A98.4Very high98.3Very high0 Ų033.3 Ų33.30%019%0.19CC..Hα-helixtrans-62.7-41179.300000112.6S146 L147 H150 L327 T328 V335S146-A331 WeakPolarHBondContact OG-CA 3.34Å; S146-A331 PolarHBondContact OG-O 3.25Å; L147-A331 HydrophobicContact CD2-CB 3.66Å; L147-A331 HydrophobicContact CG-CB 4.16Å; H150-A331 HydrophobicContact CB-CB 4.26Å; L327-A331 PolarHBondContact O-N 3.14Å; T328-A331 PolarHBondContact O-N 3.15Å; A331-V335 WeakPolarHBondContact O-CG2 3.38Å; A331-V335 PolarHBondContact O-N 3.1Å
332F98.8Very high98.3Very high0 Ų037.7 Ų37.70%021%0.213CC..Hα-helixtrans-67.8-47.2174.7-88.4-111.2000111.3T129 L131 L143 L147 I231 V256 T328 R329 Q330 K334 V335 F336 L343 M345T129-F332 HydrophobicContact CG2-CE1 4.28Å; L131-F332 HydrophobicContact CD1-CD1 4.16Å; L131-F332 HydrophobicContact CD1-CE1 4.19Å; L143-F332 HydrophobicContact CD1-CD1 4.36Å; L143-F332 HydrophobicContact CD1-CD2 3.88Å; L143-F332 HydrophobicContact CD1-CE2 4.06Å; L143-F332 HydrophobicContact CD1-CG 4.04Å; L143-F332 HydrophobicContact CD1-CZ 4.37Å; L143-F332 HydrophobicContact CD2-CD1 4.35Å; L143-F332 HydrophobicContact CD2-CE1 3.85Å; L143-F332 HydrophobicContact CD2-CE2 4.27Å; L143-F332 HydrophobicContact CD2-CZ 3.8Å; L143-F332 HydrophobicContact CG-CE2 4.34Å; L143-F332 HydrophobicContact CG-CZ 4.36Å; L147-F332 HydrophobicContact CD1-CE2 4.25Å; L147-F332 HydrophobicContact CD2-CD2 4.34Å; L147-F332 HydrophobicContact CD2-CE2 4.2Å; L147-F332 HydrophobicContact CG-CE2 4.47Å; I231-F332 HydrophobicContact CD1-CE2 4.42Å; I231-F332 HydrophobicContact CD1-CZ 4.19Å; I231-F332 HydrophobicContact CG1-CZ 4.34Å; I231-F332 HydrophobicContact CG2-CZ 4.46Å; V256-F332 HydrophobicContact CG2-CE1 4.29Å; V256-F332 HydrophobicContact CG2-CE2 3.6Å; V256-F332 HydrophobicContact CG2-CZ 3.37Å; T328-F332 HydrophobicContact CG2-CD2 4.11Å; T328-F332 HydrophobicContact CG2-CE2 4.1Å; T328-F332 WeakPolarHBondContact O-CD2 3.36Å; T328-F332 PolarHBondContact O-N 2.84Å; R329-F332 PolarHBondContact O-N 2.85Å; Q330-F332 PolarHBondContact O-N 3.28Å; F332-K334 VanDerWaalsContact C-N 3.28Å; F332-K334 PolarHBondContact O-N 2.64Å; F332-V335 PolarHBondContact O-N 3.35Å; F332-F336 HydrophobicContact CB-CD2 4.49Å; F332-F336 HydrophobicContact CD1-CD2 4.15Å; F332-F336 AromaticContact CD1-CE2 3.83Å; F332-F336 HydrophobicContact CD1-CE2 3.83Å; F332-F336 HydrophobicContact CE1-CE2 4.28Å; F332-F336 WeakPolarHBondContact O-CD2 3.43Å; F332-F336 PolarHBondContact O-N 3.41Å; F332-L343 HydrophobicContact CB-CD1 3.96Å; F332-M345 HydrophobicContact CB-CE 3.9Å; F332-M345 HydrophobicContact CB-SD 3.56Å; F332-M345 VanDerWaalsContact CB-SD 3.56Å; F332-M345 HydrophobicContact CD1-CE 3.87Å; F332-M345 HydrophobicContact CD1-SD 4.15Å; F332-M345 HydrophobicContact CD2-CE 3.71Å; F332-M345 HydrophobicContact CE1-CE 4.32Å; F332-M345 HydrophobicContact CE2-CE 4.17Å; F332-M345 HydrophobicContact CG-CE 3.54Å; F332-M345 HydrophobicContact CG-SD 3.84Å; F332-M345 HydrophobicContact CZ-CE 4.46Å
333S98.6Very high98.3Very high28 Ų2838 Ų3820%0.19622%0.215CC..Hα-helixtrans-55.8-42.9177.7-178.90000112.2R329 Q330 V335 G337 T338R329-S333 WeakPolarHBondContact O-CB 2.97Å; R329-S333 PolarHBondContact O-N 2.86Å; Q330-S333 PolarHBondContact O-N 2.87Å; S333-V335 VanDerWaalsContact C-N 3.33Å; S333-V335 PolarHBondContact O-N 3.35Å; S333-G337 WeakPolarHBondContact O-CA 3.47Å; S333-G337 PolarHBondContact O-N 2.88Å; S333-T338 VanDerWaalsContact CA-O 3.24Å; S333-T338 WeakPolarHBondContact CA-O 3.25Å; S333-T338 VanDerWaalsContact CB-O 3.24Å; S333-T338 WeakPolarHBondContact CB-O 3.31Å; S333-T338 PolarHBondContact OG-O 3.11Å
334K98.4Very high98.3Very high136 Ų13640.3 Ų40.359%0.59123%0.227SC*.Hα-helixtrans-60.4-39.2176.1-177-175.7179.5-176.40113.2Q330 F332Q330-K334 WeakPolarHBondContact O-CB 3.48Å; Q330-K334 PolarHBondContact O-N 3.13Å; F332-K334 VanDerWaalsContact C-N 3.28Å; F332-K334 PolarHBondContact O-N 2.64Å
335V98.6Very high98.3Very high23 Ų2340.3 Ų40.314%0.13923%0.227CC..Hα-helixtrans-81.3-40.7-175173.20000111.5V139 Q142 L143 A331 F332 S333V139-V335 HydrophobicContact CB-CG1 4.06Å; V139-V335 HydrophobicContact CG2-CG1 4.02Å; Q142-V335 HydrophobicContact CG-CG2 4.31Å; L143-V335 HydrophobicContact CB-CG1 4.37Å; L143-V335 HydrophobicContact CD1-CB 3.97Å; L143-V335 HydrophobicContact CD1-CG1 4.25Å; L143-V335 HydrophobicContact CD1-CG2 3.87Å; A331-V335 WeakPolarHBondContact O-CG2 3.38Å; A331-V335 PolarHBondContact O-N 3.1Å; F332-V335 PolarHBondContact O-N 3.35Å; S333-V335 VanDerWaalsContact C-N 3.33Å; S333-V335 PolarHBondContact O-N 3.35Å
336F98.5Very high98.3Very high53 Ų5342.4 Ų42.423%0.23224%0.236CC..Hα-helixtrans-90.3-9.6-177.8-68.4-75.2000113.9L131 V136 V139 L143 F332 T338 L343L131-F336 HydrophobicContact CD1-CD2 4.06Å; L131-F336 HydrophobicContact CD1-CE1 4.14Å; L131-F336 HydrophobicContact CD1-CE2 3.56Å; L131-F336 HydrophobicContact CD1-CZ 3.62Å; L131-F336 HydrophobicContact CD2-CE1 4.35Å; V136-F336 HydrophobicContact CG2-CZ 4.09Å; V139-F336 HydrophobicContact CG2-CE1 4.01Å; V139-F336 HydrophobicContact CG2-CZ 3.87Å; L143-F336 HydrophobicContact CD1-CE2 4.31Å; L143-F336 HydrophobicContact CD2-CE2 3.89Å; L143-F336 HydrophobicContact CD2-CZ 4.24Å; F332-F336 HydrophobicContact CB-CD2 4.49Å; F332-F336 HydrophobicContact CD1-CD2 4.15Å; F332-F336 AromaticContact CD1-CE2 3.83Å; F332-F336 HydrophobicContact CD1-CE2 3.83Å; F332-F336 HydrophobicContact CE1-CE2 4.28Å; F332-F336 WeakPolarHBondContact O-CD2 3.43Å; F332-F336 PolarHBondContact O-N 3.41Å; F336-T338 HydrophobicContact CB-CG2 4.03Å; F336-T338 PolarHBondContact O-N 3.38Å; F336-L343 HydrophobicContact CB-CD1 4.31Å; F336-L343 HydrophobicContact CB-CD2 4.25Å; F336-L343 HydrophobicContact CD2-CD1 4.29Å; F336-L343 HydrophobicContact CG-CD2 4.37Å
337G98.1Very high98.4Very high74 Ų7440 Ų4076%0.76323%0.227SC*.THydrogen-bonded Turntrans66.625.1177.200000113.9S333S333-G337 WeakPolarHBondContact O-CA 3.47Å; S333-G337 PolarHBondContact O-N 2.88Å
338T98Very high98.4Very high47 Ų4739.5 Ų39.529%0.28822%0.224SC..SBendtrans-137.5170.4-178.7-170.60000110.6S333 F336 D342 L343S333-T338 VanDerWaalsContact CA-O 3.24Å; S333-T338 WeakPolarHBondContact CA-O 3.25Å; S333-T338 VanDerWaalsContact CB-O 3.24Å; S333-T338 WeakPolarHBondContact CB-O 3.31Å; S333-T338 PolarHBondContact OG-O 3.11Å; F336-T338 HydrophobicContact CB-CG2 4.03Å; F336-T338 PolarHBondContact O-N 3.38Å; T338-D342 VanDerWaalsContact OG1-CB 3.29Å; T338-D342 WeakPolarHBondContact OG1-CB 3.26Å; T338-D342 PolarHBondContact OG1-OD2 2.75Å; T338-L343 HydrophobicContact CG2-CD1 3.95Å; T338-L343 HydrophobicContact CG2-CD2 3.56Å; T338-L343 HydrophobicContact CG2-CG 3.53Å
339T98.3Very high98.4Very high65 Ų6539.6 Ų39.640%0.39922%0.224SC..  trans-76.9156-178.276.20000111.8D341 D342 L343T339-D341 PolarHBondContact O-N 2.74Å; T339-D342 WeakPolarHBondContact CB-OD2 3.42Å; T339-D342 PolarHBondContact O-N 3.46Å; T339-D342 PolarHBondContact OG1-N 3.16Å; T339-D342 VanDerWaalsContact OG1-N 3.15Å; T339-D342 PolarHBondContact OG1-OD2 3.45Å; T339-L343 WeakPolarHBondContact O-CG 3.23Å; T339-L343 PolarHBondContact O-N 2.64Å; T339-L343 VanDerWaalsContact O-N 3.16Å
340P98.1Very high98.4Very high20 Ų2039.4 Ų39.413%0.1322%0.224CC..THydrogen-bonded Turntrans-64-23174.1-20.331.9000114.2W186 R329 L343 D344 M345W186-P340 HydrophobicContact CH2-CB 4.15Å; W186-P340 HydrophobicContact CZ2-CB 3.95Å; R329-P340 HydrophobicContact CB-CB 3.69Å; R329-P340 HydrophobicContact CB-CG 3.69Å; R329-P340 HydrophobicContact CG-CB 3.83Å; R329-P340 HydrophobicContact CG-CG 4.38Å; P340-L343 PolarHBondContact O-N 3.38Å; P340-D344 PolarHBondContact O-N 3.12Å; P340-M345 HydrophobicContact CB-CB 4.39Å; P340-M345 HydrophobicContact CB-CG 4.49Å; P340-M345 HydrophobicContact CB-SD 4.23Å; P340-M345 WeakPolarHBondContact O-CB 3.39Å; P340-M345 PolarHBondContact O-N 2.93Å; P340-M345 VanDerWaalsContact O-N 3.08Å
341D97.4Very high98.4Very high105 Ų10535.8 Ų35.856%0.56121%0.207SC*.THydrogen-bonded Turntrans-71.1-45.5174.8-168.569.3000110.5T339 L343 D344T339-D341 PolarHBondContact O-N 2.74Å; D341-L343 PolarHBondContact O-N 3.23Å; D341-D344 WeakPolarHBondContact O-CA 3.23Å; D341-D344 PolarHBondContact O-N 2.96Å
342D98.4Very high98.4Very high91 Ų9135.9 Ų35.949%0.48721%0.207SC..THydrogen-bonded Turntrans-63.5-24.4173.2-63.2-52.6000112.9N130 T338 T339 D344N130-D342 PolarHBondContact ND2-O 3.03Å; T338-D342 VanDerWaalsContact OG1-CB 3.29Å; T338-D342 WeakPolarHBondContact OG1-CB 3.26Å; T338-D342 PolarHBondContact OG1-OD2 2.75Å; T339-D342 WeakPolarHBondContact CB-OD2 3.42Å; T339-D342 PolarHBondContact O-N 3.46Å; T339-D342 PolarHBondContact OG1-N 3.16Å; T339-D342 VanDerWaalsContact OG1-N 3.15Å; T339-D342 PolarHBondContact OG1-OD2 3.45Å; D342-D344 VanDerWaalsContact C-N 3.32Å
343L98.5Very high98.3Very high7 Ų736 Ų364%0.03721%0.208CC..THydrogen-bonded Turntrans-87.4-0173.3-67174000113.3T129 N130 L131 F332 F336 T338 T339 P340 D341 M345T129-L343 VanDerWaalsContact CA-O 3.31Å; T129-L343 WeakPolarHBondContact CA-O 3.48Å; T129-L343 WeakPolarHBondContact CB-O 3.39Å; N130-L343 PolarHBondContact N-O 3.26Å; N130-L343 VanDerWaalsContact OD1-C 3.29Å; N130-L343 VanDerWaalsContact OD1-CA 3.31Å; N130-L343 WeakPolarHBondContact OD1-CA 3.3Å; N130-L343 PolarHBondContact OD1-O 3.21Å; N130-L343 VanDerWaalsContact OD1-O 3.12Å; L131-L343 HydrophobicContact CD1-CD2 4.15Å; L131-L343 HydrophobicContact CD2-CD2 3.93Å; L131-L343 HydrophobicContact CG-CD2 4.14Å; F332-L343 HydrophobicContact CB-CD1 3.96Å; F336-L343 HydrophobicContact CB-CD1 4.31Å; F336-L343 HydrophobicContact CB-CD2 4.25Å; F336-L343 HydrophobicContact CD2-CD1 4.29Å; F336-L343 HydrophobicContact CG-CD2 4.37Å; T338-L343 HydrophobicContact CG2-CD1 3.95Å; T338-L343 HydrophobicContact CG2-CD2 3.56Å; T338-L343 HydrophobicContact CG2-CG 3.53Å; T339-L343 WeakPolarHBondContact O-CG 3.23Å; T339-L343 PolarHBondContact O-N 2.64Å; T339-L343 VanDerWaalsContact O-N 3.16Å; P340-L343 PolarHBondContact O-N 3.38Å; D341-L343 PolarHBondContact O-N 3.23Å; L343-M345 VanDerWaalsContact C-N 3.25Å; L343-M345 HydrophobicContact CB-CG 3.66Å; L343-M345 HydrophobicContact CB-SD 4.23Å; L343-M345 HydrophobicContact CD1-SD 4.2Å; L343-M345 PolarHBondContact O-N 3.42Å
344D98.1Very high98.3Very high48 Ų4835.7 Ų35.726%0.25720%0.204SC..THydrogen-bonded Turntrans57.138.9175.6-157.89.7000112.3R128 N130 P340 D341 D342 H346R128-D344 IonicContact CZ-OD1 3.05Å; R128-D344 VanDerWaalsContact CZ-OD1 3.22Å; R128-D344 IonicContact CZ-OD2 2.65Å; R128-D344 IonicContact NH1-OD1 2.99Å; R128-D344 PolarHBondContact NH1-OD1 3.43Å; R128-D344 IonicContact NH1-OD2 2.77Å; R128-D344 PolarHBondContact NH1-OD2 2.85Å; R128-D344 IonicContact NH2-OD1 3.15Å; R128-D344 PolarHBondContact NH2-OD1 2.83Å; R128-D344 IonicContact NH2-OD2 3.13Å; N130-D344 HydrophobicContact CB-CB 3.75Å; P340-D344 PolarHBondContact O-N 3.12Å; D341-D344 WeakPolarHBondContact O-CA 3.23Å; D341-D344 PolarHBondContact O-N 2.96Å; D342-D344 VanDerWaalsContact C-N 3.32Å; D344-H346 PolarHBondContact O-N 3.27Å; D344-H346 IonicContact OD1-CD2 2.88Å; D344-H346 PolarHBondContact OD1-CD2 3.25Å; D344-H346 IonicContact OD1-NE2 3.65Å; D344-H346 PolarHBondContact OD1-NE2 3.44Å
345M98.6Very high98.3Very high0 Ų029.2 Ų29.20%018%0.176CC..  trans-7956.9-171.2-63.6-16677.300114.3R128 T129 W186 T328 R329 F332 P340 L343R128-M345 VanDerWaalsContact O-CA 3.3Å; R128-M345 WeakPolarHBondContact O-CA 3.36Å; T129-M345 HydrophobicContact CG2-CE 4.25Å; T129-M345 HydrophobicContact CG2-CG 4.11Å; W186-M345 WeakPolarHBondContact CZ3-O 3.38Å; T328-M345 HydrophobicContact CG2-CE 4.04Å; R329-M345 HydrophobicContact CB-SD 4.44Å; R329-M345 HydrophobicContact CG-CB 4.05Å; R329-M345 HydrophobicContact CG-CE 4.4Å; R329-M345 HydrophobicContact CG-SD 4.11Å; R329-M345 PolarHBondContact NE-O 2.98Å; R329-M345 PolarHBondContact NH2-O 2.7Å; F332-M345 HydrophobicContact CB-CE 3.9Å; F332-M345 HydrophobicContact CB-SD 3.56Å; F332-M345 VanDerWaalsContact CB-SD 3.56Å; F332-M345 HydrophobicContact CD1-CE 3.87Å; F332-M345 HydrophobicContact CD1-SD 4.15Å; F332-M345 HydrophobicContact CD2-CE 3.71Å; F332-M345 HydrophobicContact CE1-CE 4.32Å; F332-M345 HydrophobicContact CE2-CE 4.17Å; F332-M345 HydrophobicContact CG-CE 3.54Å; F332-M345 HydrophobicContact CG-SD 3.84Å; F332-M345 HydrophobicContact CZ-CE 4.46Å; P340-M345 HydrophobicContact CB-CB 4.39Å; P340-M345 HydrophobicContact CB-CG 4.49Å; P340-M345 HydrophobicContact CB-SD 4.23Å; P340-M345 WeakPolarHBondContact O-CB 3.39Å; P340-M345 PolarHBondContact O-N 2.93Å; P340-M345 VanDerWaalsContact O-N 3.08Å; L343-M345 VanDerWaalsContact C-N 3.25Å; L343-M345 HydrophobicContact CB-CG 3.66Å; L343-M345 HydrophobicContact CB-SD 4.23Å; L343-M345 HydrophobicContact CD1-SD 4.2Å; L343-M345 PolarHBondContact O-N 3.42Å
346H98.4Very high98.3Very high44 Ų4428.2 Ų28.220%0.20417%0.17CC..  trans-85.3148.4-179.5-65.2-88.1000112.9L127 R128 W186 D344 I348L127-H346 CarbonylContact C-O 3.37Å; L127-H346 VanDerWaalsContact CA-O 3.27Å; L127-H346 WeakPolarHBondContact CA-O 3.28Å; R128-H346 HydrophobicContact CG-CB 4.38Å; R128-H346 PolarHBondContact N-O 3.08Å; R128-H346 PolarHBondContact NH2-CD2 2.89Å; W186-H346 AromaticContact CE3-ND1 3.93Å; W186-H346 AromaticContact CZ3-CE1 3.76Å; W186-H346 AromaticContact CZ3-ND1 3.8Å; D344-H346 PolarHBondContact O-N 3.27Å; D344-H346 IonicContact OD1-CD2 2.88Å; D344-H346 PolarHBondContact OD1-CD2 3.25Å; D344-H346 IonicContact OD1-NE2 3.65Å; D344-H346 PolarHBondContact OD1-NE2 3.44Å; H346-I348 PolarHBondContact O-N 2.81Å
347V98.8Very high98.3Very high6 Ų626 Ų264%0.03616%0.16CC..EExtended strand (participates in β ladder)trans-72.4123.6171.5174.50000109.3R125 L126 L127 D189 H192 T325R125-V347 HydrophobicContact CG-CG1 4.02Å; R125-V347 HydrophobicContact CG-CG2 4.36Å; L126-V347 CarbonylContact O-C 3.47Å; L127-V347 HydrophobicContact CG-CG2 4.3Å; D189-V347 HydrophobicContact CB-CG2 4.19Å; D189-V347 VanDerWaalsContact OD1-CG2 3.3Å; D189-V347 WeakPolarHBondContact OD1-CG2 3.4Å; H192-V347 HydrophobicContact CB-CB 4.36Å; H192-V347 HydrophobicContact CB-CG1 3.97Å; T325-V347 HydrophobicContact CG2-CG2 4.02Å
348I98.7Very high98.3Very high2 Ų225.9 Ų25.91%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-71.1-56.2168.4-69.1-179.1000109L126 R128 H192 M246 I248 H346 Y392L126-I348 HydrophobicContact CB-CB 4.38Å; L126-I348 HydrophobicContact CD2-CB 4.4Å; L126-I348 HydrophobicContact CD2-CD1 3.73Å; L126-I348 HydrophobicContact CG-CB 4.42Å; L126-I348 HydrophobicContact CG-CD1 4.05Å; L126-I348 PolarHBondContact O-N 2.81Å; R128-I348 HydrophobicContact CB-CD1 4.02Å; R128-I348 HydrophobicContact CB-CG1 4.1Å; R128-I348 HydrophobicContact CG-CG1 4.44Å; H192-I348 PolarHBondContact CD2-O 2.98Å; M246-I348 HydrophobicContact CB-CD1 4.26Å; M246-I348 HydrophobicContact CB-CG1 4.41Å; M246-I348 HydrophobicContact CB-CG2 3.83Å; M246-I348 HydrophobicContact CG-CG2 3.86Å; M246-I348 WeakPolarHBondContact O-CG1 3.34Å; M246-I348 HydrophobicContact SD-CG2 4.13Å; I248-I348 HydrophobicContact CD1-CD1 4.07Å; I248-I348 HydrophobicContact CG1-CD1 3.99Å; H346-I348 PolarHBondContact O-N 2.81Å; I348-Y392 WeakPolarHBondContact O-CE2 3.5Å; I348-Y392 PolarHBondContact O-OH 3.33Å
349Y98.8Very high98.4Very high2 Ų224.2 Ų24.21%0.00813%0.134CC..EExtended strand (participates in β ladder)trans-161.6161.7175.6-148.5-124.5000112.1R125 L126 H192 V351 P389 Y392 Q397 P398 L400R125-Y349 WeakPolarHBondContact CA-O 3.3Å; L126-Y349 PolarHBondContact N-O 2.77Å; H192-Y349 HydrophobicContact CB-CD2 4.43Å; H192-Y349 CarbonylContact O-C 3.5Å; H192-Y349 WeakPolarHBondContact O-CA 3.49Å; H192-Y349 WeakPolarHBondContact O-CD2 3.27Å; Y349-V351 HydrophobicContact CD1-CB 4.11Å; Y349-V351 HydrophobicContact CE1-CB 4.24Å; Y349-V351 HydrophobicContact CE1-CG2 4.39Å; Y349-P389 HydrophobicContact CD2-CG 4.28Å; Y349-P389 HydrophobicContact CE2-CG 3.59Å; Y349-Y392 HydrophobicContact CD2-CD2 4.46Å; Y349-Y392 HydrophobicContact CD2-CE2 4.04Å; Y349-Q397 HydrophobicContact CD1-CG 4.47Å; Y349-Q397 HydrophobicContact CE1-CG 3.59Å; Y349-P398 HydrophobicContact CD1-CB 4.15Å; Y349-P398 HydrophobicContact CD1-CG 4.34Å; Y349-P398 VanDerWaalsContact CD1-O 3.23Å; Y349-P398 WeakPolarHBondContact CD1-O 3.4Å; Y349-P398 HydrophobicContact CD2-CG 4.2Å; Y349-P398 HydrophobicContact CG-CB 4.01Å; Y349-P398 HydrophobicContact CG-CG 3.93Å; Y349-L400 VanDerWaalsContact O-CD1 3.27Å; Y349-L400 WeakPolarHBondContact O-CD1 3.26Å
350D98.8Very high98.3Very high0 Ų026.6 Ų26.60%014%0.14CC..EExtended strand (participates in β ladder)trans-132.1122.3168.8-179.5-34.9000109.1V124 R125 H192 C193 E194 W318 R321V124-D350 WeakPolarHBondContact O-CA 3.47Å; R125-D350 HydrophobicContact CB-CB 4.08Å; R125-D350 HydrophobicContact CG-CB 4.07Å; R125-D350 IonicContact CZ-OD2 3.8Å; R125-D350 IonicContact NE-OD2 3.93Å; R125-D350 PolarHBondContact NE-OD2 3.33Å; R125-D350 IonicContact NH2-OD2 3.97Å; R125-D350 PolarHBondContact NH2-OD2 3.06Å; H192-D350 PolarHBondContact O-N 2.9Å; C193-D350 HydrophobicContact CB-CB 4.28Å; E194-D350 VanDerWaalsContact CB-O 3.22Å; E194-D350 WeakPolarHBondContact CB-O 3.41Å; E194-D350 PolarHBondContact N-O 3.37Å; W318-D350 PolarHBondContact NE1-OD1 2.84Å; R321-D350 IonicContact CZ-OD1 3.84Å; R321-D350 IonicContact CZ-OD2 3.78Å; R321-D350 VanDerWaalsContact NE-CG 3.29Å; R321-D350 IonicContact NE-OD1 3.69Å; R321-D350 PolarHBondContact NE-OD1 3.31Å; R321-D350 IonicContact NE-OD2 2.78Å; R321-D350 PolarHBondContact NE-OD2 2.7Å; R321-D350 IonicContact NH2-OD1 2.68Å; R321-D350 PolarHBondContact NH2-OD1 3.12Å; R321-D350 IonicContact NH2-OD2 3.37Å
351V98.1Very high98.3Very high1 Ų125.9 Ų25.91%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-134.5140.8-174.674.10000112.4G123 V124 E194 Y349 T378 L400G123-V351 CarbonylContact C-O 3.51Å; G123-V351 WeakPolarHBondContact CA-O 3.08Å; V124-V351 PolarHBondContact N-O 3.41Å; V124-V351 PolarHBondContact O-N 3.36Å; E194-V351 WeakPolarHBondContact OE2-CG2 3.37Å; Y349-V351 HydrophobicContact CD1-CB 4.11Å; Y349-V351 HydrophobicContact CE1-CB 4.24Å; Y349-V351 HydrophobicContact CE1-CG2 4.39Å; V351-T378 HydrophobicContact CB-CG2 4.07Å; V351-T378 HydrophobicContact CG1-CG2 3.56Å; V351-T378 HydrophobicContact CG2-CG2 3.32Å; V351-L400 HydrophobicContact CG1-CB 4.1Å; V351-L400 HydrophobicContact CG1-CD1 4.46Å; V351-L400 HydrophobicContact CG1-CG 4.23Å
352S97.9Very high98.2Very high1 Ų126.7 Ų26.71%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-84.2149.5175.6-160.30000112.2N121 E194N121-S352 WeakPolarHBondContact CA-OG 3.43Å; N121-S352 WeakPolarHBondContact OD1-CB 3.37Å; N121-S352 PolarHBondContact OD1-OG 3.43Å; E194-S352 VanDerWaalsContact OE2-CB 3.25Å; E194-S352 WeakPolarHBondContact OE2-CB 3.43Å; E194-S352 PolarHBondContact OE2-N 2.8Å
353H98Very high98.1Very high4 Ų422.6 Ų22.62%0.01912%0.115CC..SBendtrans-127.53.916754.3-131.7000115.7C122 H259 K375 G376 S377 H428C122-H353 VanDerWaalsContact C-CD2 3.45Å; C122-H353 VanDerWaalsContact C-NE2 3.31Å; C122-H353 PolarHBondContact O-CD2 2.83Å; C122-H353 PolarHBondContact O-N 2.66Å; C122-H353 PolarHBondContact O-NE2 3.01Å; C122-H353 PolarHBondContact SG-NE2 3.26Å; H259-H353 AromaticContact CD2-CE1 3.83Å; H259-H353 AromaticContact CE1-CE1 3.67Å; H259-H353 AromaticContact NE2-CE1 3.12Å; H259-H353 PolarHBondContact NE2-CE1 3.34Å; H259-H353 AromaticContact NE2-NE2 3.3Å; H259-H353 PolarHBondContact NE2-NE2 3.38Å; H353-K375 CarbonylContact O-C 3.59Å; H353-G376 WeakPolarHBondContact O-CA 3.15Å; H353-G376 PolarHBondContact O-N 3.32Å; H353-S377 CarbonylContact C-O 3.51Å; H353-S377 WeakPolarHBondContact CA-O 3.28Å; H353-S377 PolarHBondContact O-N 3Å; H353-S377 VanDerWaalsContact O-N 3.08Å; H353-H428 HydrophobicContact CB-CB 3.49Å; H353-H428 VanDerWaalsContact CB-CB 3.49Å; H353-H428 AromaticContact CE1-CD2 3.99Å; H353-H428 AromaticContact CG-CD2 3.89Å; H353-H428 AromaticContact ND1-CD2 3.77Å
354N98.5Very high97.7Very high20 Ų2028.5 Ų28.511%0.10715%0.147CC..EExtended strand (participates in β ladder)trans-134.282.1175.1-79.2-15.6000109.5V116 D119 N121 C122 R374 G376V116-N354 WeakPolarHBondContact O-CA 3.3Å; V116-N354 WeakPolarHBondContact O-CB 3.43Å; V116-N354 PolarHBondContact O-OD1 2.63Å; D119-N354 VanDerWaalsContact O-CB 3.23Å; D119-N354 WeakPolarHBondContact O-CB 3.49Å; D119-N354 PolarHBondContact O-ND2 2.83Å; D119-N354 VanDerWaalsContact O-ND2 3.11Å; N121-N354 WeakPolarHBondContact CA-O 3.43Å; N121-N354 PolarHBondContact N-O 3.48Å; C122-N354 HydrophobicContact CB-CB 4.32Å; C122-N354 PolarHBondContact O-N 2.83Å; N354-R374 CarbonylContact C-O 3.53Å; N354-R374 VanDerWaalsContact CA-O 3.27Å; N354-R374 WeakPolarHBondContact CA-O 3.38Å; N354-G376 PolarHBondContact OD1-N 2.93Å
355I98.6Very high97.4Very high1 Ų129.3 Ų29.31%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-154.8154.1-173.9-159.464.4000111.3I120 N121 M199 M310 K357 R374I120-I355 HydrophobicContact CG2-CD1 4.2Å; N121-I355 HydrophobicContact CB-CD1 4.31Å; M199-I355 HydrophobicContact SD-CD1 3.96Å; M199-I355 HydrophobicContact SD-CG1 4.27Å; M310-I355 HydrophobicContact CE-CD1 4.29Å; M310-I355 HydrophobicContact CG-CD1 4.31Å; M310-I355 HydrophobicContact SD-CD1 4.32Å; I355-K357 HydrophobicContact CG1-CG 4.17Å; I355-K357 HydrophobicContact CG2-CD 4.28Å; I355-K357 HydrophobicContact CG2-CG 4.13Å; I355-R374 PolarHBondContact N-O 3.48Å; I355-R374 PolarHBondContact O-N 3.45Å
356A98.6Very high97.2Very high1 Ų136.2 Ų36.21%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-111.8136.3162.800000110.2V116 M310 L371 V372V116-A356 HydrophobicContact CG2-CB 3.66Å; M310-A356 HydrophobicContact CE-CB 4.05Å; M310-A356 WeakPolarHBondContact CE-O 3.37Å; M310-A356 HydrophobicContact SD-CB 3.84Å; A356-L371 HydrophobicContact CB-CD1 3.98Å; A356-L371 HydrophobicContact CB-CG 4.37Å; A356-V372 CarbonylContact C-O 3.6Å; A356-V372 WeakPolarHBondContact CA-O 3.07Å
357K98.5Very high97.1Very high6 Ų640.2 Ų40.23%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-135.5143.3-176.5-68.9-171.2174.7-170.10112.4E194 E195 I355 E359 L371 V372E194-K357 IonicContact OE1-NZ 3.16Å; E194-K357 PolarHBondContact OE1-NZ 2.8Å; E194-K357 IonicContact OE2-NZ 3.67Å; E195-K357 VanDerWaalsContact CG-NZ 3.28Å; E195-K357 IonicContact OE1-NZ 3.73Å; E195-K357 PolarHBondContact OE1-NZ 2.85Å; I355-K357 HydrophobicContact CG1-CG 4.17Å; I355-K357 HydrophobicContact CG2-CD 4.28Å; I355-K357 HydrophobicContact CG2-CG 4.13Å; K357-E359 HydrophobicContact CB-CG 3.96Å; K357-L371 CarbonylContact O-C 3.08Å; K357-L371 WeakPolarHBondContact O-CA 3.18Å; K357-V372 PolarHBondContact N-O 2.94Å; K357-V372 PolarHBondContact O-N 2.98Å
358V98.3Very high97Very high73 Ų7343.6 Ų43.644%0.44223%0.227SC..EExtended strand (participates in β ladder)trans-83.7117.8170.5-177.10000107.4M104 T369 L370 L371M104-V358 HydrophobicContact CE-CG2 4.2Å; M104-V358 HydrophobicContact CG-CG1 4.23Å; M104-V358 HydrophobicContact SD-CG2 4.14Å; V358-T369 HydrophobicContact CG1-CG2 3.43Å; V358-T369 VanDerWaalsContact CG1-CG2 3.43Å; V358-L370 CarbonylContact C-O 3.48Å; V358-L370 VanDerWaalsContact CA-O 3.3Å; V358-L370 WeakPolarHBondContact CA-O 3.39Å; V358-L371 HydrophobicContact CG2-CD1 4.09Å
359E98.3Very high97Very high12 Ų1245.7 Ų45.76%0.05624%0.24CC..EExtended strand (participates in β ladder)trans-137.6152.2-174.1-63.7179.2-177.800110.5K357 H361 L370 V372 R374 F381K357-E359 HydrophobicContact CB-CG 3.96Å; E359-H361 WeakPolarHBondContact CB-NE2 3.18Å; E359-H361 IonicContact OE2-CE1 2.7Å; E359-H361 IonicContact OE2-NE2 2.63Å; E359-H361 PolarHBondContact OE2-NE2 3.24Å; E359-L370 PolarHBondContact N-O 2.68Å; E359-L370 PolarHBondContact O-N 2.71Å; E359-V372 HydrophobicContact CB-CG2 4.21Å; E359-V372 HydrophobicContact CG-CG2 4.48Å; E359-R374 IonicContact OE1-CZ 2.75Å; E359-R374 IonicContact OE1-NH1 2.68Å; E359-R374 PolarHBondContact OE1-NH1 2.99Å; E359-R374 IonicContact OE1-NH2 3.42Å; E359-R374 PolarHBondContact OE1-NH2 3.1Å; E359-R374 VanDerWaalsContact OE1-NH2 3.15Å; E359-R374 IonicContact OE2-CZ 2.87Å; E359-R374 IonicContact OE2-NH1 2.77Å; E359-R374 IonicContact OE2-NH2 3.24Å; E359-R374 PolarHBondContact OE2-NH2 2.82Å; E359-F381 HydrophobicContact CG-CZ 4.33Å
360E97.7Very high97Very high115 Ų11545.6 Ų45.654%0.53724%0.24SC..EExtended strand (participates in β ladder)trans-94.3128.2173.8-62.6-169.3146.900110.4Q367 R368E360-Q367 PolarHBondContact OE2-NE2 3.15Å; E360-R368 WeakPolarHBondContact CA-O 3.46Å
361H97.9Very high97Very high4 Ų445.6 Ų45.62%0.01924%0.24CC..EExtended strand (participates in β ladder)trans-137.9149.6-178.6-73.1-81.8000110.9E359 R368 L370 M419 F423E359-H361 WeakPolarHBondContact CB-NE2 3.18Å; E359-H361 IonicContact OE2-CE1 2.7Å; E359-H361 IonicContact OE2-NE2 2.63Å; E359-H361 PolarHBondContact OE2-NE2 3.24Å; H361-R368 PolarHBondContact N-O 3.06Å; H361-R368 PolarHBondContact O-N 3.45Å; H361-L370 HydrophobicContact CB-CD1 3.8Å; H361-L370 HydrophobicContact CB-CG 4.45Å; H361-M419 WeakPolarHBondContact ND1-CE 3.23Å; H361-F423 HydrophobicContact CB-CD1 3.84Å; H361-F423 HydrophobicContact CB-CE1 4.22Å; H361-F423 PolarHBondContact CE1-O 3.14Å; H361-F423 AromaticContact CG-CD1 3.66Å; H361-F423 AromaticContact ND1-CD1 3.73Å
362M95.8Very high97Very high122 Ų12245.6 Ų45.660%0.60124%0.24SC*.EExtended strand (participates in β ladder)trans-86.3119.8172-71.9-63.7-7200109.9G365 K366 Q367M362-G365 VanDerWaalsContact CE-O 3.28Å; M362-G365 WeakPolarHBondContact CE-O 3.38Å; M362-K366 WeakPolarHBondContact CA-O 3.19Å; M362-Q367 HydrophobicContact SD-CB 3.88Å; M362-Q367 PolarHBondContact SD-N 2.77Å; M362-Q367 VanDerWaalsContact SD-N 3.38Å
363V94.6Very high97.1Very high5 Ų545.5 Ų45.53%0.0324%0.239CC..EExtended strand (participates in β ladder)trans-128.3121.1177.9-176.60000108.8V79 G365 K366 R368 L370 F423V79-V363 HydrophobicContact CG1-CB 4.36Å; V79-V363 HydrophobicContact CG1-CG1 3.69Å; V79-V363 HydrophobicContact CG1-CG2 3.94Å; V363-G365 PolarHBondContact O-N 3.5Å; V363-K366 PolarHBondContact N-O 3.28Å; V363-K366 PolarHBondContact O-N 2.93Å; V363-R368 HydrophobicContact CB-CG 4.3Å; V363-L370 HydrophobicContact CG2-CD1 4.04Å; V363-F423 HydrophobicContact CG2-CE1 3.83Å; V363-F423 HydrophobicContact CG2-CZ 4.42Å
364D90.4Very high97.1Very high131 Ų13145.4 Ų45.470%0.70124%0.239SC*.THydrogen-bonded Turntrans5241-176.8-52.4-42.4000112.7K366D364-K366 VanDerWaalsContact C-N 3.26Å; D364-K366 PolarHBondContact O-N 2.98Å
365G91.9Very high97.1Very high65 Ų6544.9 Ų44.967%0.6724%0.236SC*.THydrogen-bonded Turntrans749.5-179.300000115.1M362 V363M362-G365 VanDerWaalsContact CE-O 3.28Å; M362-G365 WeakPolarHBondContact CE-O 3.38Å; V363-G365 PolarHBondContact O-N 3.5Å
366K95.1Very high97.1Very high146 Ų14644.9 Ų44.964%0.63524%0.236SC*.EExtended strand (participates in β ladder)trans-120.2137.5177-63.6-177.9-179.1-1800111.3M362 V363 D364 R368M362-K366 WeakPolarHBondContact CA-O 3.19Å; V363-K366 PolarHBondContact N-O 3.28Å; V363-K366 PolarHBondContact O-N 2.93Å; D364-K366 VanDerWaalsContact C-N 3.26Å; D364-K366 PolarHBondContact O-N 2.98Å; K366-R368 PolarHBondContact O-N 3.17Å
367Q96.3Very high97Very high128 Ų12844.9 Ų44.960%0.59824%0.236SC*.EExtended strand (participates in β ladder)trans-67.8131.8171-167.8177.723.100109.2E360 M362E360-Q367 PolarHBondContact OE2-NE2 3.15Å; M362-Q367 HydrophobicContact SD-CB 3.88Å; M362-Q367 PolarHBondContact SD-N 2.77Å; M362-Q367 VanDerWaalsContact SD-N 3.38Å
368R97.2Very high97Very high76 Ų7644.6 Ų44.629%0.28724%0.235SC..EExtended strand (participates in β ladder)trans-133.3144.3175.8-60.8-167.2-174.2-14810.6110D103 E360 H361 V363 K366 L370D103-R368 WeakPolarHBondContact OD2-CD 3.36Å; D103-R368 IonicContact OD2-CZ 3.88Å; D103-R368 IonicContact OD2-NH1 3.85Å; D103-R368 PolarHBondContact OD2-NH1 3.27Å; E360-R368 WeakPolarHBondContact CA-O 3.46Å; H361-R368 PolarHBondContact N-O 3.06Å; H361-R368 PolarHBondContact O-N 3.45Å; V363-R368 HydrophobicContact CB-CG 4.3Å; K366-R368 PolarHBondContact O-N 3.17Å; R368-L370 HydrophobicContact CB-CD2 3.79Å; R368-L370 HydrophobicContact CB-CG 4.22Å
369T98.3Very high97Very high46 Ų4641.2 Ų41.228%0.28221%0.214SC..EExtended strand (participates in β ladder)trans-90.7115.6170.5-48.40000108.4M104 V358M104-T369 HydrophobicContact CB-CG2 4.29Å; M104-T369 WeakPolarHBondContact CB-O 3.43Å; M104-T369 HydrophobicContact CG-CG2 4.02Å; M104-T369 WeakPolarHBondContact CG-O 3.23Å; M104-T369 PolarHBondContact N-O 3.07Å; V358-T369 HydrophobicContact CG1-CG2 3.43Å; V358-T369 VanDerWaalsContact CG1-CG2 3.43Å
370L98.6Very high97Very high0 Ų040.7 Ų40.70%021%0.211CC..EExtended strand (participates in β ladder)trans-118.4143.1-172.6-54.7-177.2000111.2V79 A101 F102 D103 V358 E359 H361 V363 R368 V372 F423V79-L370 HydrophobicContact CB-CD2 4.37Å; V79-L370 HydrophobicContact CG1-CD1 4.47Å; V79-L370 HydrophobicContact CG1-CD2 4.36Å; V79-L370 HydrophobicContact CG2-CD2 3.95Å; A101-L370 HydrophobicContact CB-CB 4.18Å; A101-L370 HydrophobicContact CB-CD1 3.81Å; F102-L370 CarbonylContact O-C 3.55Å; F102-L370 VanDerWaalsContact O-CA 3.25Å; F102-L370 WeakPolarHBondContact O-CA 3.29Å; D103-L370 HydrophobicContact CB-CD2 4.29Å; V358-L370 CarbonylContact C-O 3.48Å; V358-L370 VanDerWaalsContact CA-O 3.3Å; V358-L370 WeakPolarHBondContact CA-O 3.39Å; E359-L370 PolarHBondContact N-O 2.68Å; E359-L370 PolarHBondContact O-N 2.71Å; H361-L370 HydrophobicContact CB-CD1 3.8Å; H361-L370 HydrophobicContact CB-CG 4.45Å; V363-L370 HydrophobicContact CG2-CD1 4.04Å; R368-L370 HydrophobicContact CB-CD2 3.79Å; R368-L370 HydrophobicContact CB-CG 4.22Å; L370-V372 HydrophobicContact CB-CG2 4.24Å; L370-V372 PolarHBondContact O-N 3.12Å; L370-F423 HydrophobicContact CD1-CD1 3.93Å; L370-F423 HydrophobicContact CD1-CE1 3.52Å; L370-F423 HydrophobicContact CD1-CZ 4.13Å
371L98.8Very high97.1Very high1 Ų135.3 Ų35.31%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-88.398.3163.3-175.765.3000109.5F102 M104 V111 I298 L307 A356 K357 V358 H373F102-L371 PolarHBondContact N-O 2.78Å; F102-L371 PolarHBondContact O-N 3.24Å; M104-L371 HydrophobicContact SD-CB 3.76Å; V111-L371 HydrophobicContact CB-CD2 3.77Å; V111-L371 HydrophobicContact CG2-CD2 3.92Å; I298-L371 HydrophobicContact CD1-CB 3.9Å; I298-L371 HydrophobicContact CD1-CD2 3.68Å; I298-L371 HydrophobicContact CD1-CG 4.46Å; I298-L371 HydrophobicContact CG1-CD2 3.84Å; L307-L371 HydrophobicContact CD1-CD2 4.39Å; L307-L371 HydrophobicContact CD2-CD1 3.95Å; L307-L371 HydrophobicContact CD2-CD2 4.09Å; A356-L371 HydrophobicContact CB-CD1 3.98Å; A356-L371 HydrophobicContact CB-CG 4.37Å; K357-L371 CarbonylContact O-C 3.08Å; K357-L371 WeakPolarHBondContact O-CA 3.18Å; V358-L371 HydrophobicContact CG2-CD1 4.09Å; L371-H373 PolarHBondContact O-ND1 3.19Å
372V98.8Very high97.1Very high0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-86.1112.4-179.4-172.40000109.5M99 A101 A356 K357 E359 L370 R374M99-V372 HydrophobicContact CG-CG1 3.86Å; M99-V372 HydrophobicContact SD-CG1 3.97Å; A101-V372 HydrophobicContact CB-CG2 4.16Å; A356-V372 CarbonylContact C-O 3.6Å; A356-V372 WeakPolarHBondContact CA-O 3.07Å; K357-V372 PolarHBondContact N-O 2.94Å; K357-V372 PolarHBondContact O-N 2.98Å; E359-V372 HydrophobicContact CB-CG2 4.21Å; E359-V372 HydrophobicContact CG-CG2 4.48Å; L370-V372 HydrophobicContact CB-CG2 4.24Å; L370-V372 PolarHBondContact O-N 3.12Å; V372-R374 HydrophobicContact CG1-CG 4.14Å
373H98.9Very high97.3Very high0 Ų031.1 Ų31.10%017%0.168CC..EExtended strand (participates in β ladder)trans-88.3125.1172.3-70.869.6000109.8F94 M99 A100 F102 S112 L371F94-H373 HydrophobicContact CE1-CB 4.46Å; M99-H373 VanDerWaalsContact CA-O 3.26Å; M99-H373 WeakPolarHBondContact CA-O 3.4Å; M99-H373 WeakPolarHBondContact CG-O 3.29Å; A100-H373 PolarHBondContact N-O 2.98Å; A100-H373 VanDerWaalsContact N-O 3.14Å; A100-H373 PolarHBondContact O-N 3.01Å; F102-H373 AromaticContact CD2-CE1 3.82Å; F102-H373 AromaticContact CD2-ND1 3.54Å; F102-H373 AromaticContact CE2-ND1 3.75Å; S112-H373 PolarHBondContact N-NE2 2.81Å; S112-H373 PolarHBondContact O-CD2 3Å; L371-H373 PolarHBondContact O-ND1 3.19Å
374R98.8Very high97.4Very high1 Ų136.9 Ų36.90%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-123.1119.1175.1-63-171.2-177.490.41.1109.3M99 N354 I355 E359 V372 S377 F423 T425M99-R374 HydrophobicContact CG-CG 4.09Å; N354-R374 CarbonylContact C-O 3.53Å; N354-R374 VanDerWaalsContact CA-O 3.27Å; N354-R374 WeakPolarHBondContact CA-O 3.38Å; I355-R374 PolarHBondContact N-O 3.48Å; I355-R374 PolarHBondContact O-N 3.45Å; E359-R374 IonicContact OE1-CZ 2.75Å; E359-R374 IonicContact OE1-NH1 2.68Å; E359-R374 PolarHBondContact OE1-NH1 2.99Å; E359-R374 IonicContact OE1-NH2 3.42Å; E359-R374 PolarHBondContact OE1-NH2 3.1Å; E359-R374 VanDerWaalsContact OE1-NH2 3.15Å; E359-R374 IonicContact OE2-CZ 2.87Å; E359-R374 IonicContact OE2-NH1 2.77Å; E359-R374 IonicContact OE2-NH2 3.24Å; E359-R374 PolarHBondContact OE2-NH2 2.82Å; V372-R374 HydrophobicContact CG1-CG 4.14Å; R374-S377 WeakPolarHBondContact CA-OG 3.46Å; R374-S377 WeakPolarHBondContact CB-O 3.34Å; R374-S377 WeakPolarHBondContact CB-OG 3.39Å; R374-F423 PolarHBondContact NH2-O 2.99Å; R374-T425 HydrophobicContact CG-CG2 4.16Å; R374-T425 PolarHBondContact NE-OG1 2.91Å; R374-T425 PolarHBondContact NH2-OG1 3.25Å
375K98.2Very high97.8Very high10 Ų1032 Ų324%0.04317%0.168CC..EExtended strand (participates in β ladder)trans-125.1117.1172.9178.5-178.4-176.9-178.60110.2Y92 F94 I96 G97 N98 G114 G115 H353 S377Y92-K375 PolarHBondContact O-NZ 3.23Å; F94-K375 HydrophobicContact CB-CD 4.01Å; F94-K375 PolarHBondContact O-NZ 3.43Å; I96-K375 HydrophobicContact CG1-CG 4.5Å; G97-K375 WeakPolarHBondContact CA-O 3.16Å; G97-K375 PolarHBondContact N-O 3.43Å; N98-K375 PolarHBondContact N-O 2.89Å; N98-K375 PolarHBondContact O-N 3.1Å; G114-K375 WeakPolarHBondContact O-CD 3.42Å; G114-K375 WeakPolarHBondContact O-CE 3.33Å; G114-K375 PolarHBondContact O-NZ 2.97Å; G115-K375 WeakPolarHBondContact O-CB 3.48Å; H353-K375 CarbonylContact O-C 3.59Å; K375-S377 PolarHBondContact N-OG 3.17Å; K375-S377 PolarHBondContact O-N 3.01Å
376G97.2Very high98Very high1 Ų133.8 Ų33.81%0.0117%0.168CC..SBendtrans53.140.2-166.100000111.9G97 H353 N354 H428G97-G376 VanDerWaalsContact CA-O 3.23Å; G97-G376 WeakPolarHBondContact CA-O 3.35Å; G97-G376 PolarHBondContact N-O 3.39Å; H353-G376 WeakPolarHBondContact O-CA 3.15Å; H353-G376 PolarHBondContact O-N 3.32Å; N354-G376 PolarHBondContact OD1-N 2.93Å; G376-H428 VanDerWaalsContact C-CG 3.45Å; G376-H428 VanDerWaalsContact C-ND1 3.27Å; G376-H428 WeakPolarHBondContact CA-ND1 3.33Å; G376-H428 PolarHBondContact O-ND1 3.45Å
377S98.1Very high98Very high0 Ų030.9 Ų30.90%016%0.158CC..EExtended strand (participates in β ladder)trans-148.4148.5176.951.30000110.1H353 R374 K375H353-S377 CarbonylContact C-O 3.51Å; H353-S377 WeakPolarHBondContact CA-O 3.28Å; H353-S377 PolarHBondContact O-N 3Å; H353-S377 VanDerWaalsContact O-N 3.08Å; R374-S377 WeakPolarHBondContact CA-OG 3.46Å; R374-S377 WeakPolarHBondContact CB-O 3.34Å; R374-S377 WeakPolarHBondContact CB-OG 3.39Å; K375-S377 PolarHBondContact N-OG 3.17Å; K375-S377 PolarHBondContact O-N 3.01Å
378T98.2Very high98Very high1 Ų124.9 Ų24.91%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-118.8141-162.8-44.30000110V351 V399 T425 T426 C427 H428V351-T378 HydrophobicContact CB-CG2 4.07Å; V351-T378 HydrophobicContact CG1-CG2 3.56Å; V351-T378 HydrophobicContact CG2-CG2 3.32Å; T378-V399 HydrophobicContact CG2-CG1 3.63Å; T378-T425 CarbonylContact O-C 3.48Å; T378-T425 VanDerWaalsContact O-CA 3.28Å; T378-T425 WeakPolarHBondContact O-CA 3.4Å; T378-T425 WeakPolarHBondContact O-CG2 3.39Å; T378-T426 PolarHBondContact N-O 3.35Å; T378-T426 PolarHBondContact O-N 2.89Å; T378-C427 WeakPolarHBondContact CB-O 3.42Å; T378-C427 PolarHBondContact OG1-O 3.23Å; T378-H428 VanDerWaalsContact OG1-CA 3.31Å; T378-H428 WeakPolarHBondContact OG1-CA 3.35Å; T378-H428 WeakPolarHBondContact OG1-CB 3.5Å
379R98.6Very high98Very high2 Ų221.7 Ų21.71%0.00812%0.119CC..EExtended strand (participates in β ladder)trans-64.6139.8170.5-165.4174.484.1-177.8-2.4110.3E194 E195 F381 Q397 G424E194-R379 WeakPolarHBondContact OE1-CB 2.92Å; E194-R379 WeakPolarHBondContact OE1-CD 3.45Å; E194-R379 IonicContact OE1-CZ 3.07Å; E194-R379 IonicContact OE1-NE 3.06Å; E194-R379 PolarHBondContact OE1-NE 3.13Å; E194-R379 IonicContact OE1-NH1 3.37Å; E194-R379 IonicContact OE1-NH2 3.83Å; E195-R379 IonicContact OE1-CZ 3.47Å; E195-R379 IonicContact OE1-NH1 2.73Å; E195-R379 PolarHBondContact OE1-NH1 3.37Å; R379-F381 VanDerWaalsContact CD-CZ 3.44Å; R379-F381 HydrophobicContact CG-CD1 3.9Å; R379-F381 HydrophobicContact CG-CD2 4.17Å; R379-F381 HydrophobicContact CG-CE1 3.86Å; R379-F381 HydrophobicContact CG-CE2 4.15Å; R379-F381 HydrophobicContact CG-CG 4.08Å; R379-F381 HydrophobicContact CG-CZ 4.01Å; R379-F381 VanDerWaalsContact CZ-CE2 3.44Å; R379-F381 VanDerWaalsContact NE-CE2 3.28Å; R379-Q397 PolarHBondContact O-NE2 3.22Å; R379-G424 CarbonylContact C-O 3.58Å; R379-G424 WeakPolarHBondContact CA-O 3.3Å
380A98.6Very high97.9Very high0 Ų025.4 Ų25.40%014%0.142CC..  trans-144.760-173.200000110V399 G414 G424 T426A380-V399 HydrophobicContact CB-CG2 3.7Å; A380-G414 WeakPolarHBondContact O-CA 3.17Å; A380-G424 PolarHBondContact N-O 2.93Å; A380-T426 HydrophobicContact CB-CG2 3.75Å
381F98.8Very high97.8Very high3 Ų329.3 Ų29.31%0.01316%0.163CC..PPolyproline II helixtrans-64.3143.7-177.7-74.9-24000113.3E359 R379 H385 L387 I388 Q397 G414 M419E359-F381 HydrophobicContact CG-CZ 4.33Å; R379-F381 VanDerWaalsContact CD-CZ 3.44Å; R379-F381 HydrophobicContact CG-CD1 3.9Å; R379-F381 HydrophobicContact CG-CD2 4.17Å; R379-F381 HydrophobicContact CG-CE1 3.86Å; R379-F381 HydrophobicContact CG-CE2 4.15Å; R379-F381 HydrophobicContact CG-CG 4.08Å; R379-F381 HydrophobicContact CG-CZ 4.01Å; R379-F381 VanDerWaalsContact CZ-CE2 3.44Å; R379-F381 VanDerWaalsContact NE-CE2 3.28Å; F381-H385 HydrophobicContact CB-CB 3.95Å; F381-H385 AromaticContact CD2-CE1 3.38Å; F381-H385 WeakPolarHBondContact CD2-CE1 3.48Å; F381-H385 AromaticContact CD2-CG 3.81Å; F381-H385 AromaticContact CD2-ND1 3.28Å; F381-H385 VanDerWaalsContact CD2-ND1 3.28Å; F381-H385 WeakPolarHBondContact CD2-ND1 3.45Å; F381-H385 AromaticContact CD2-NE2 3.92Å; F381-H385 AromaticContact CE2-CE1 3.26Å; F381-H385 WeakPolarHBondContact CE2-CE1 3.42Å; F381-H385 AromaticContact CE2-ND1 3.67Å; F381-H385 AromaticContact CE2-NE2 3.83Å; F381-H385 AromaticContact CG-CD2 3.96Å; F381-H385 AromaticContact CG-CE1 3.94Å; F381-H385 AromaticContact CG-CG 3.82Å; F381-H385 AromaticContact CG-ND1 3.79Å; F381-H385 AromaticContact CZ-CE1 3.74Å; F381-H385 AromaticContact CZ-NE2 3.88Å; F381-L387 HydrophobicContact CD2-CB 4.32Å; F381-L387 HydrophobicContact CE2-CB 4.1Å; F381-L387 HydrophobicContact CE2-CD1 4.03Å; F381-I388 HydrophobicContact CB-CG2 3.75Å; F381-I388 HydrophobicContact CD2-CG2 4.33Å; F381-Q397 HydrophobicContact CB-CB 4.22Å; F381-Q397 WeakPolarHBondContact O-CB 3.47Å; F381-Q397 PolarHBondContact O-N 2.81Å; F381-G414 WeakPolarHBondContact O-CA 3.39Å; F381-M419 HydrophobicContact CD1-SD 4.05Å; F381-M419 HydrophobicContact CE1-SD 4.3Å
382P98.7Very high97.8Very high5 Ų529.5 Ų29.53%0.03216%0.163CC..PPolyproline II helixtrans-68.8168.7-175.930.6-36.3000112.2H385 I388 E416 M419P382-H385 HydrophobicContact CG-CB 4.3Å; P382-H385 WeakPolarHBondContact O-CB 3.37Å; P382-H385 PolarHBondContact O-N 3.32Å; P382-I388 WeakPolarHBondContact O-CD1 3.24Å; P382-E416 HydrophobicContact CB-CG 4.15Å; P382-M419 HydrophobicContact CG-CB 4.02Å; P382-M419 HydrophobicContact CG-CG 4.15Å; P382-M419 HydrophobicContact CG-SD 4.49Å
383P98.6Very high97.7Very high32 Ų3231.6 Ų31.621%0.20817%0.173CC..THydrogen-bonded Turntrans-47.3150.2162.1-24.633.8000111.7H385 Q393P383-H385 PolarHBondContact O-N 3.19Å; P383-H385 VanDerWaalsContact O-N 3.12Å; P383-Q393 CarbonylContact C-O 3.57Å; P383-Q393 WeakPolarHBondContact CA-O 3.37Å; P383-Q393 WeakPolarHBondContact CB-O 3Å
384H98.1Very high97.7Very high126 Ų12636.4 Ų36.458%0.58320%0.198SC*.THydrogen-bonded Turntrans66.73.5178-49.6-69.9000116.1Q393 L394H384-Q393 PolarHBondContact N-O 3.5Å; H384-L394 WeakPolarHBondContact CE1-CD2 3.05Å
385H98.1Very high97.6Very high29 Ų2936.8 Ų36.813%0.13420%0.201CC..  trans-67.5132177-168.9-79.9000110.6F381 P382 P383 L387 I388 Q393F381-H385 HydrophobicContact CB-CB 3.95Å; F381-H385 AromaticContact CD2-CE1 3.38Å; F381-H385 WeakPolarHBondContact CD2-CE1 3.48Å; F381-H385 AromaticContact CD2-CG 3.81Å; F381-H385 AromaticContact CD2-ND1 3.28Å; F381-H385 VanDerWaalsContact CD2-ND1 3.28Å; F381-H385 WeakPolarHBondContact CD2-ND1 3.45Å; F381-H385 AromaticContact CD2-NE2 3.92Å; F381-H385 AromaticContact CE2-CE1 3.26Å; F381-H385 WeakPolarHBondContact CE2-CE1 3.42Å; F381-H385 AromaticContact CE2-ND1 3.67Å; F381-H385 AromaticContact CE2-NE2 3.83Å; F381-H385 AromaticContact CG-CD2 3.96Å; F381-H385 AromaticContact CG-CE1 3.94Å; F381-H385 AromaticContact CG-CG 3.82Å; F381-H385 AromaticContact CG-ND1 3.79Å; F381-H385 AromaticContact CZ-CE1 3.74Å; F381-H385 AromaticContact CZ-NE2 3.88Å; P382-H385 HydrophobicContact CG-CB 4.3Å; P382-H385 WeakPolarHBondContact O-CB 3.37Å; P382-H385 PolarHBondContact O-N 3.32Å; P383-H385 PolarHBondContact O-N 3.19Å; P383-H385 VanDerWaalsContact O-N 3.12Å; H385-L387 PolarHBondContact ND1-N 2.93Å; H385-L387 PolarHBondContact O-N 2.89Å; H385-L387 VanDerWaalsContact O-N 3.08Å; H385-I388 HydrophobicContact CB-CG2 4.16Å; H385-I388 WeakPolarHBondContact O-CG1 3.36Å; H385-I388 PolarHBondContact O-N 3.47Å; H385-Q393 PolarHBondContact O-NE2 3.07Å
386P95.9Very high97.7Very high103 Ų10336.3 Ų36.367%0.66920%0.199SC*.THydrogen-bonded Turntrans-65.8-20.8-171.725.1-35.8000114.4
387L95.3Very high97.7Very high84 Ų8436.2 Ų36.244%0.4420%0.198SC..THydrogen-bonded Turntrans-90.85.3-179.7-57.3-177.3000114.7F381 H385F381-L387 HydrophobicContact CD2-CB 4.32Å; F381-L387 HydrophobicContact CE2-CB 4.1Å; F381-L387 HydrophobicContact CE2-CD1 4.03Å; H385-L387 PolarHBondContact ND1-N 2.93Å; H385-L387 PolarHBondContact O-N 2.89Å; H385-L387 VanDerWaalsContact O-N 3.08Å
388I96.3Very high97.8Very high3 Ų336.2 Ų36.22%0.01520%0.198CC..SBendtrans-98.5149.217476.9-176.5000110.5F381 P382 H385 Y392 Q393 Q397F381-I388 HydrophobicContact CB-CG2 3.75Å; F381-I388 HydrophobicContact CD2-CG2 4.33Å; P382-I388 WeakPolarHBondContact O-CD1 3.24Å; H385-I388 HydrophobicContact CB-CG2 4.16Å; H385-I388 WeakPolarHBondContact O-CG1 3.36Å; H385-I388 PolarHBondContact O-N 3.47Å; I388-Y392 VanDerWaalsContact CD1-O 3.27Å; I388-Y392 WeakPolarHBondContact CD1-O 3.28Å; I388-Q393 HydrophobicContact CG1-CG 4.49Å; I388-Q393 VanDerWaalsContact CG1-NE2 3.27Å; I388-Q393 PolarHBondContact O-NE2 3.41Å; I388-Q397 HydrophobicContact CG2-CB 3.75Å; I388-Q397 HydrophobicContact CG2-CG 4.11Å
389P96.8Very high97.8Very high8 Ų836.2 Ų36.25%0.05220%0.198CC..  trans-55.7149.7179.4-24.133.3000112.4E191 Y349 D391 Y392 Q393E191-P389 VanDerWaalsContact O-CG 3.25Å; E191-P389 WeakPolarHBondContact O-CG 3.14Å; Y349-P389 HydrophobicContact CD2-CG 4.28Å; Y349-P389 HydrophobicContact CE2-CG 3.59Å; P389-D391 PolarHBondContact O-N 2.78Å; P389-Y392 HydrophobicContact CB-CD2 3.92Å; P389-Y392 HydrophobicContact CB-CE2 4.42Å; P389-Y392 HydrophobicContact CG-CD2 3.79Å; P389-Y392 HydrophobicContact CG-CE2 4.24Å; P389-Y392 PolarHBondContact O-N 3.4Å; P389-Q393 PolarHBondContact O-N 3.1Å
390V96.3Very high97.8Very high124 Ų12436.1 Ų36.175%0.75220%0.197SC*.G310 helixtrans-52.9-42.1-177.1168.50000111.8Y392 Q393V390-Y392 PolarHBondContact O-N 3.2Å; V390-Q393 WeakPolarHBondContact O-CB 3.44Å; V390-Q393 VanDerWaalsContact O-CG 3.31Å; V390-Q393 WeakPolarHBondContact O-CG 3.3Å; V390-Q393 PolarHBondContact O-N 3.22Å
391D96.8Very high97.8Very high83 Ų8336.1 Ų36.144%0.44420%0.197SC..G310 helixtrans-66.2-21.6-177.1-60.7-35.4000113.4H192 P389H192-D391 IonicContact NE2-OD2 3.7Å; P389-D391 PolarHBondContact O-N 2.78Å
392Y98.3Very high97.5Very high4 Ų436.1 Ų36.12%0.01620%0.199CC..G310 helixtrans-104.73.1-177.5-54.5-34.4000113.8H192 K245 M246 I348 Y349 I388 P389 V390 L394 T395 G396 P398H192-Y392 AromaticContact CD2-CE2 3.62Å; H192-Y392 AromaticContact CD2-CZ 3.83Å; K245-Y392 HydrophobicContact CB-CD1 4.37Å; K245-Y392 HydrophobicContact CB-CE1 4.45Å; M246-Y392 HydrophobicContact CB-CE1 4.48Å; M246-Y392 HydrophobicContact CG-CD1 4.48Å; M246-Y392 HydrophobicContact CG-CE1 3.7Å; I348-Y392 WeakPolarHBondContact O-CE2 3.5Å; I348-Y392 PolarHBondContact O-OH 3.33Å; Y349-Y392 HydrophobicContact CD2-CD2 4.46Å; Y349-Y392 HydrophobicContact CD2-CE2 4.04Å; I388-Y392 VanDerWaalsContact CD1-O 3.27Å; I388-Y392 WeakPolarHBondContact CD1-O 3.28Å; P389-Y392 HydrophobicContact CB-CD2 3.92Å; P389-Y392 HydrophobicContact CB-CE2 4.42Å; P389-Y392 HydrophobicContact CG-CD2 3.79Å; P389-Y392 HydrophobicContact CG-CE2 4.24Å; P389-Y392 PolarHBondContact O-N 3.4Å; V390-Y392 PolarHBondContact O-N 3.2Å; Y392-L394 PolarHBondContact O-N 3.45Å; Y392-L394 VanDerWaalsContact O-N 3.08Å; Y392-T395 WeakPolarHBondContact CA-OG1 3.37Å; Y392-T395 PolarHBondContact O-N 3.02Å; Y392-T395 PolarHBondContact O-OG1 3.47Å; Y392-T395 VanDerWaalsContact O-OG1 3.07Å; Y392-G396 PolarHBondContact O-N 2.95Å; Y392-P398 HydrophobicContact CD1-CG 4.32Å; Y392-P398 HydrophobicContact CD2-CG 3.33Å; Y392-P398 HydrophobicContact CE1-CG 4.32Å; Y392-P398 HydrophobicContact CE2-CG 3.3Å; Y392-P398 HydrophobicContact CG-CG 3.87Å
393Q98Very high97.1Very high45 Ų4536.4 Ų36.421%0.2120%0.202CC..THydrogen-bonded Turntrans-54.6-31.1179.6-74.4-69.3-34.500113.1P383 H384 H385 I388 P389 V390P383-Q393 CarbonylContact C-O 3.57Å; P383-Q393 WeakPolarHBondContact CA-O 3.37Å; P383-Q393 WeakPolarHBondContact CB-O 3Å; H384-Q393 PolarHBondContact N-O 3.5Å; H385-Q393 PolarHBondContact O-NE2 3.07Å; I388-Q393 HydrophobicContact CG1-CG 4.49Å; I388-Q393 VanDerWaalsContact CG1-NE2 3.27Å; I388-Q393 PolarHBondContact O-NE2 3.41Å; P389-Q393 PolarHBondContact O-N 3.1Å; V390-Q393 WeakPolarHBondContact O-CB 3.44Å; V390-Q393 VanDerWaalsContact O-CG 3.31Å; V390-Q393 WeakPolarHBondContact O-CG 3.3Å; V390-Q393 PolarHBondContact O-N 3.22Å
394L97.9Very high96.6Very high100 Ų10035.1 Ų35.152%0.52419%0.194SC..THydrogen-bonded Turntrans-95-10.4-179.9-61.7-176.3000114Y241 H384 Y392Y241-L394 HydrophobicContact CE1-CB 3.88Å; Y241-L394 VanDerWaalsContact OH-CD1 3.25Å; Y241-L394 WeakPolarHBondContact OH-CD1 3.38Å; H384-L394 WeakPolarHBondContact CE1-CD2 3.05Å; Y392-L394 PolarHBondContact O-N 3.45Å; Y392-L394 VanDerWaalsContact O-N 3.08Å
395T98.1Very high96.1Very high9 Ų929.4 Ų29.46%0.05517%0.167CC..THydrogen-bonded Turntrans-106.6-24.5-174.758.30000112.4Y241 A242 K245 Y392 T413Y241-T395 HydrophobicContact CD1-CG2 3.73Å; Y241-T395 HydrophobicContact CE1-CG2 3.64Å; A242-T395 HydrophobicContact CB-CG2 3.89Å; K245-T395 HydrophobicContact CB-CG2 4.34Å; K245-T395 HydrophobicContact CG-CG2 4.24Å; Y392-T395 WeakPolarHBondContact CA-OG1 3.37Å; Y392-T395 PolarHBondContact O-N 3.02Å; Y392-T395 PolarHBondContact O-OG1 3.47Å; Y392-T395 VanDerWaalsContact O-OG1 3.07Å; T395-T413 WeakPolarHBondContact O-CB 3.48Å; T395-T413 PolarHBondContact O-OG1 3.29Å
396G98.4Very high95.6Very high0 Ų028.2 Ų28.20%016%0.163CC..  trans86.8167-164.600000111.5Y392Y392-G396 PolarHBondContact O-N 2.95Å
397Q98.8Very high95.5Very high0 Ų025.4 Ų25.40%014%0.144CC..  trans-59.5130.5-177.9-164.8-174.2-52.100110.7Y349 R379 F381 I388 T413 G414Y349-Q397 HydrophobicContact CD1-CG 4.47Å; Y349-Q397 HydrophobicContact CE1-CG 3.59Å; R379-Q397 PolarHBondContact O-NE2 3.22Å; F381-Q397 HydrophobicContact CB-CB 4.22Å; F381-Q397 WeakPolarHBondContact O-CB 3.47Å; F381-Q397 PolarHBondContact O-N 2.81Å; I388-Q397 HydrophobicContact CG2-CB 3.75Å; I388-Q397 HydrophobicContact CG2-CG 4.11Å; Q397-T413 CarbonylContact O-C 3.54Å; Q397-T413 VanDerWaalsContact O-CA 3.28Å; Q397-T413 WeakPolarHBondContact O-CA 3.47Å; Q397-G414 PolarHBondContact O-N 3.11Å
398P98.8Very high95.6Very high0 Ų022.3 Ų22.30%013%0.13CC..EExtended strand (participates in β ladder)trans-61.8137.5167.4-13.924.5000110.8M246 Y349 Y392 V411 L412M246-P398 HydrophobicContact CE-CB 3.89Å; M246-P398 HydrophobicContact CE-CG 3.96Å; M246-P398 HydrophobicContact SD-CB 4.43Å; Y349-P398 HydrophobicContact CD1-CB 4.15Å; Y349-P398 HydrophobicContact CD1-CG 4.34Å; Y349-P398 VanDerWaalsContact CD1-O 3.23Å; Y349-P398 WeakPolarHBondContact CD1-O 3.4Å; Y349-P398 HydrophobicContact CD2-CG 4.2Å; Y349-P398 HydrophobicContact CG-CB 4.01Å; Y349-P398 HydrophobicContact CG-CG 3.93Å; Y392-P398 HydrophobicContact CD1-CG 4.32Å; Y392-P398 HydrophobicContact CD2-CG 3.33Å; Y392-P398 HydrophobicContact CE1-CG 4.32Å; Y392-P398 HydrophobicContact CE2-CG 3.3Å; Y392-P398 HydrophobicContact CG-CG 3.87Å; P398-V411 HydrophobicContact CB-CG1 4.36Å; P398-L412 CarbonylContact C-O 3.58Å; P398-L412 WeakPolarHBondContact CA-O 3.4Å
399V98.4Very high95.7Very high0 Ų022.2 Ų22.20%013%0.129CC..EExtended strand (participates in β ladder)trans-125.3122.8177.8-172.80000108.2T378 A380 I401 V411 L412 T426T378-V399 HydrophobicContact CG2-CG1 3.63Å; A380-V399 HydrophobicContact CB-CG2 3.7Å; V399-I401 HydrophobicContact CG1-CD1 3.68Å; V399-I401 HydrophobicContact CG1-CG1 4.46Å; V399-V411 CarbonylContact O-C 3.42Å; V399-V411 WeakPolarHBondContact O-CA 3.49Å; V399-L412 HydrophobicContact CB-CB 4.11Å; V399-L412 PolarHBondContact N-O 2.68Å; V399-L412 PolarHBondContact O-N 3.19Å; V399-T426 HydrophobicContact CB-CG2 4.27Å; V399-T426 HydrophobicContact CG1-CG2 3.45Å; V399-T426 VanDerWaalsContact CG1-CG2 3.45Å; V399-T426 HydrophobicContact CG2-CG2 4.15Å
400L98.6Very high95.8Very high0 Ų021.9 Ų21.90%013%0.127CC..EExtended strand (participates in β ladder)trans-100.1115-174-53.9179.1000109.7V124 L126 Y349 V351 V411V124-L400 HydrophobicContact CB-CB 3.93Å; V124-L400 HydrophobicContact CB-CD1 4.33Å; V124-L400 HydrophobicContact CG1-CB 3.8Å; V124-L400 HydrophobicContact CG1-CD1 4.08Å; V124-L400 WeakPolarHBondContact O-CD1 3.48Å; L126-L400 HydrophobicContact CB-CD1 3.71Å; L126-L400 HydrophobicContact CB-CD2 3.79Å; L126-L400 HydrophobicContact CB-CG 4.39Å; L126-L400 HydrophobicContact CD2-CD2 3.84Å; L126-L400 HydrophobicContact CG-CD2 4.48Å; Y349-L400 VanDerWaalsContact O-CD1 3.27Å; Y349-L400 WeakPolarHBondContact O-CD1 3.26Å; V351-L400 HydrophobicContact CG1-CB 4.1Å; V351-L400 HydrophobicContact CG1-CD1 4.46Å; V351-L400 HydrophobicContact CG1-CG 4.23Å; L400-V411 HydrophobicContact CD2-CG1 4.13Å; L400-V411 HydrophobicContact CD2-CG2 3.98Å
401I98.3Very high95.9Very high0 Ų016 Ų160%09%0.091CC..EExtended strand (participates in β ladder)trans-110.2107.8-176.6-52.2-54.9000109V399 S409 Y410 L412 C427 V478 V482V399-I401 HydrophobicContact CG1-CD1 3.68Å; V399-I401 HydrophobicContact CG1-CG1 4.46Å; I401-S409 CarbonylContact O-C 3.59Å; I401-S409 VanDerWaalsContact O-CA 3.31Å; I401-S409 WeakPolarHBondContact O-CA 3.13Å; I401-S409 VanDerWaalsContact O-CB 3.27Å; I401-S409 WeakPolarHBondContact O-CB 3.35Å; I401-Y410 PolarHBondContact N-O 3.34Å; I401-Y410 PolarHBondContact O-N 3.22Å; I401-L412 HydrophobicContact CD1-CD1 4.2Å; I401-L412 HydrophobicContact CG1-CD1 3.65Å; I401-L412 HydrophobicContact CG1-CG 3.81Å; I401-C427 WeakPolarHBondContact CD1-O 3.45Å; I401-V478 HydrophobicContact CG2-CG2 3.95Å; I401-V482 HydrophobicContact CB-CG2 4.39Å; I401-V482 HydrophobicContact CG1-CG2 4.47Å; I401-V482 HydrophobicContact CG2-CG2 3.87Å
402G93.3Very high96Very high4 Ų412.1 Ų12.14%0.0417%0.07CC..BIsolated β-bridgetrans-75.2131.617700000112.5Y228 H428 G429 A430Y228-G402 WeakPolarHBondContact OH-CA 3.49Å; G402-H428 PolarHBondContact N-O 3.3Å; G402-G429 WeakPolarHBondContact O-CA 3.29Å; G402-A430 PolarHBondContact O-N 2.77Å
403G89.5Confident96Very high10 Ų1012 Ų1210%0.1037%0.07CC..  trans-78.9-128.5166.900000112.2C408 S409G403-C408 WeakPolarHBondContact CA-O 3.41Å; G403-S409 PolarHBondContact N-OG 2.88Å; G403-S409 VanDerWaalsContact N-OG 3.16Å
404T88.4Confident96Very high6 Ų610 Ų104%0.0376%0.061CC..  trans-133.4174.6173.869.20000107.9G406 T407 A430 Y475T404-G406 PolarHBondContact O-N 3.31Å; T404-G406 PolarHBondContact OG1-N 3.17Å; T404-T407 PolarHBondContact N-OG1 3Å; T404-T407 PolarHBondContact O-N 3.03Å; T404-T407 WeakPolarHBondContact OG1-CG2 3.22Å; T404-T407 PolarHBondContact OG1-N 3.27Å; T404-T407 PolarHBondContact OG1-OG1 3.37Å; T404-A430 HydrophobicContact CG2-CB 4.47Å; T404-Y475 HydrophobicContact CG2-CD1 4.18Å; T404-Y475 HydrophobicContact CG2-CD2 3.4Å; T404-Y475 VanDerWaalsContact CG2-CD2 3.4Å; T404-Y475 HydrophobicContact CG2-CE2 4.13Å; T404-Y475 HydrophobicContact CG2-CG 3.44Å; T404-Y475 VanDerWaalsContact CG2-CG 3.44Å
405M87.3Confident96.1Very high5 Ų55.7 Ų5.73%0.0254%0.039CC..THydrogen-bonded Turntrans-57.3-11.1179.770.8-179.5106.900115.6L452 I459 V467 E470 V502 K504M405-L452 HydrophobicContact CG-CD1 3.93Å; M405-L452 HydrophobicContact CG-CD2 4.28Å; M405-L452 WeakPolarHBondContact O-CD2 3.35Å; M405-L452 HydrophobicContact SD-CD1 3.72Å; M405-I459 HydrophobicContact SD-CD1 3.62Å; M405-V467 HydrophobicContact CE-CG1 4.31Å; M405-V467 VanDerWaalsContact CE-O 3.29Å; M405-V467 WeakPolarHBondContact CE-O 3.23Å; M405-V467 HydrophobicContact SD-CG1 4.23Å; M405-E470 HydrophobicContact CE-CB 3.58Å; M405-E470 WeakPolarHBondContact CE-O 3.49Å; M405-V502 HydrophobicContact CB-CB 4.49Å; M405-V502 HydrophobicContact CB-CG1 3.99Å; M405-V502 HydrophobicContact CB-CG2 4.21Å; M405-V502 WeakPolarHBondContact O-CG2 3.42Å; M405-K504 HydrophobicContact CE-CD 4.46Å
406G88.8Confident96.1Very high5 Ų510.5 Ų10.55%0.0526%0.061CC..THydrogen-bonded Turntrans-132.715.3178.100000114.4T404 L452 M455T404-G406 PolarHBondContact O-N 3.31Å; T404-G406 PolarHBondContact OG1-N 3.17Å; G406-L452 VanDerWaalsContact CA-CD2 3.5Å; G406-M455 WeakPolarHBondContact O-CE 3.36Å
407T93.5Very high96Very high44 Ų4414.7 Ų14.727%0.278%0.08SC..SBendtrans-128.3163.5178.859.10000111T404 P472 P499T404-T407 PolarHBondContact N-OG1 3Å; T404-T407 PolarHBondContact O-N 3.03Å; T404-T407 WeakPolarHBondContact OG1-CG2 3.22Å; T404-T407 PolarHBondContact OG1-N 3.27Å; T404-T407 PolarHBondContact OG1-OG1 3.37Å; T407-P472 HydrophobicContact CG2-CB 4.05Å; T407-P499 VanDerWaalsContact O-CD 3.25Å; T407-P499 WeakPolarHBondContact O-CD 3.26Å; T407-P499 WeakPolarHBondContact O-CG 3.21Å
408C96.8Very high96Very high19 Ų1914.7 Ų14.713%0.1288%0.08CC..  trans-65.8152.3-179.157.10000112.6G403 Y410 V478 K496 L497G403-C408 WeakPolarHBondContact CA-O 3.41Å; C408-Y410 WeakPolarHBondContact SG-CE2 3.34Å; C408-V478 VanDerWaalsContact O-CG1 3.24Å; C408-V478 WeakPolarHBondContact O-CG1 3.33Å; C408-K496 HydrophobicContact CB-CG 4.05Å; C408-L497 CarbonylContact C-O 3.57Å; C408-L497 WeakPolarHBondContact CA-O 3.48Å; C408-L497 WeakPolarHBondContact CB-O 3.11Å
409S98.4Very high96Very high0 Ų016.3 Ų16.30%09%0.089CC..EExtended strand (participates in β ladder)trans-104.2165.9163.7-70.80000109.9Q232 I401 G403 L497Q232-S409 PolarHBondContact NE2-OG 3.45Å; I401-S409 CarbonylContact O-C 3.59Å; I401-S409 VanDerWaalsContact O-CA 3.31Å; I401-S409 WeakPolarHBondContact O-CA 3.13Å; I401-S409 VanDerWaalsContact O-CB 3.27Å; I401-S409 WeakPolarHBondContact O-CB 3.35Å; G403-S409 PolarHBondContact N-OG 2.88Å; G403-S409 VanDerWaalsContact N-OG 3.16Å; S409-L497 PolarHBondContact N-O 3.45Å; S409-L497 PolarHBondContact O-N 2.87Å
410Y98.8Very high95.9Very high2 Ų221.4 Ų21.41%0.00812%0.12CC..EExtended strand (participates in β ladder)trans-132.9150.8176.3-69.2-95.2000111.7Y238 I401 C408 V478 T479 V482 I495 K496Y238-Y410 HydrophobicContact CE2-CD1 4.18Å; Y238-Y410 AromaticContact CE2-CE1 3.93Å; Y238-Y410 HydrophobicContact CE2-CE1 3.93Å; I401-Y410 PolarHBondContact N-O 3.34Å; I401-Y410 PolarHBondContact O-N 3.22Å; C408-Y410 WeakPolarHBondContact SG-CE2 3.34Å; Y410-V478 HydrophobicContact CD2-CG2 4.35Å; Y410-V478 HydrophobicContact CE2-CG1 4.33Å; Y410-T479 WeakPolarHBondContact OH-CG2 3.26Å; Y410-T479 PolarHBondContact OH-OG1 3.4Å; Y410-V482 HydrophobicContact CD1-CG1 4.07Å; Y410-V482 HydrophobicContact CD2-CB 4.22Å; Y410-V482 HydrophobicContact CD2-CG1 4.34Å; Y410-V482 HydrophobicContact CD2-CG2 3.67Å; Y410-V482 HydrophobicContact CE1-CG1 4.36Å; Y410-V482 HydrophobicContact CE2-CB 4.37Å; Y410-V482 HydrophobicContact CE2-CG2 4.22Å; Y410-V482 HydrophobicContact CG-CB 4.42Å; Y410-V482 HydrophobicContact CG-CG1 4.06Å; Y410-V482 HydrophobicContact CG-CG2 3.98Å; Y410-I495 CarbonylContact C-O 2.95Å; Y410-I495 WeakPolarHBondContact CA-O 3.44Å; Y410-K496 HydrophobicContact CD1-CB 3.96Å; Y410-K496 HydrophobicContact CD1-CG 4.13Å; Y410-K496 HydrophobicContact CE1-CB 3.75Å; Y410-K496 HydrophobicContact CE1-CD 3.84Å; Y410-K496 HydrophobicContact CE1-CG 3.62Å
411V98.8Very high95.7Very high0 Ų024.6 Ų24.60%014%0.135CC..EExtended strand (participates in β ladder)trans-107.4124.7158.7-172.20000107.7L126 M246 P398 V399 L400 A494 I495 L497L126-V411 HydrophobicContact CD2-CG2 3.49Å; L126-V411 VanDerWaalsContact CD2-CG2 3.49Å; M246-V411 HydrophobicContact CE-CG1 4.07Å; M246-V411 HydrophobicContact SD-CG1 3.62Å; P398-V411 HydrophobicContact CB-CG1 4.36Å; V399-V411 CarbonylContact O-C 3.42Å; V399-V411 WeakPolarHBondContact O-CA 3.49Å; L400-V411 HydrophobicContact CD2-CG1 4.13Å; L400-V411 HydrophobicContact CD2-CG2 3.98Å; V411-A494 WeakPolarHBondContact O-CA 3.38Å; V411-A494 WeakPolarHBondContact O-CB 3.26Å; V411-A494 PolarHBondContact O-N 3.16Å; V411-I495 HydrophobicContact CB-CB 4.03Å; V411-I495 HydrophobicContact CB-CD1 4.22Å; V411-I495 HydrophobicContact CG2-CB 4.22Å; V411-I495 HydrophobicContact CG2-CD1 4.28Å; V411-I495 PolarHBondContact N-O 2.8Å; V411-I495 PolarHBondContact O-N 2.91Å; V411-L497 HydrophobicContact CG2-CD1 4.11Å
412L98.8Very high95.7Very high1 Ų124.6 Ų24.61%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-110.8171.5173.9-40.2179.4000110P398 V399 I401 V482 S491 K492 K493P398-L412 CarbonylContact C-O 3.58Å; P398-L412 WeakPolarHBondContact CA-O 3.4Å; V399-L412 HydrophobicContact CB-CB 4.11Å; V399-L412 PolarHBondContact N-O 2.68Å; V399-L412 PolarHBondContact O-N 3.19Å; I401-L412 HydrophobicContact CD1-CD1 4.2Å; I401-L412 HydrophobicContact CG1-CD1 3.65Å; I401-L412 HydrophobicContact CG1-CG 3.81Å; L412-V482 HydrophobicContact CD1-CG1 4.42Å; L412-V482 HydrophobicContact CD1-CG2 4.49Å; L412-V482 HydrophobicContact CD2-CG1 3.56Å; L412-V482 HydrophobicContact CD2-CG2 4.48Å; L412-S491 WeakPolarHBondContact CD1-OG 3.5Å; L412-K492 CarbonylContact C-O 3.59Å; L412-K492 WeakPolarHBondContact CA-O 3.5Å; L412-K492 VanDerWaalsContact CB-O 3.27Å; L412-K492 WeakPolarHBondContact CB-O 3.26Å; L412-K493 HydrophobicContact CD2-CB 4.4Å; L412-K493 HydrophobicContact CD2-CG 4.04Å
413T98.8Very high96Very high3 Ų324.7 Ų24.72%0.01813%0.134CC..EExtended strand (participates in β ladder)trans-123.8148.5167650000112.2A242 M246 T395 Q397 S491 K492 A494A242-T413 HydrophobicContact CB-CG2 4.23Å; M246-T413 HydrophobicContact CE-CG2 3.69Å; T395-T413 WeakPolarHBondContact O-CB 3.48Å; T395-T413 PolarHBondContact O-OG1 3.29Å; Q397-T413 CarbonylContact O-C 3.54Å; Q397-T413 VanDerWaalsContact O-CA 3.28Å; Q397-T413 WeakPolarHBondContact O-CA 3.47Å; T413-S491 CarbonylContact O-C 3.5Å; T413-S491 VanDerWaalsContact O-CA 3.31Å; T413-S491 WeakPolarHBondContact O-CA 3.03Å; T413-S491 WeakPolarHBondContact O-CB 3.36Å; T413-K492 PolarHBondContact N-O 3.47Å; T413-K492 PolarHBondContact O-N 2.96Å; T413-A494 HydrophobicContact CG2-CB 4.25Å
414G98.6Very high96.4Very high2 Ų224.2 Ų24.22%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-66.2162.2174.400000113.9A380 F381 Q397A380-G414 WeakPolarHBondContact O-CA 3.17Å; F381-G414 WeakPolarHBondContact O-CA 3.39Å; Q397-G414 PolarHBondContact O-N 3.11Å
415T98.7Very high96.9Very high9 Ų924 Ų246%0.05513%0.127CC..  trans-144.9156.3-170.661.50000112.2Q417 G418 M419 G489 I490 K492T415-Q417 VanDerWaalsContact C-N 3.31Å; T415-Q417 PolarHBondContact O-N 3.27Å; T415-G418 PolarHBondContact O-N 3.21Å; T415-G418 PolarHBondContact OG1-N 2.92Å; T415-M419 PolarHBondContact O-N 2.83Å; T415-G489 WeakPolarHBondContact CB-O 3.5Å; T415-G489 PolarHBondContact OG1-O 2.93Å; T415-I490 PolarHBondContact OG1-O 3.37Å; T415-K492 HydrophobicContact CG2-CB 4.42Å; T415-K492 HydrophobicContact CG2-CD 4.11Å; T415-K492 HydrophobicContact CG2-CG 3.74Å
416E98.2Very high97.4Very high110 Ų11023.7 Ų23.751%0.51413%0.126SC..Hα-helixtrans-63.5-37.6175.4-66.4-63.416900112.6P382 M419 T420P382-E416 HydrophobicContact CB-CG 4.15Å; E416-M419 WeakPolarHBondContact O-CB 3.35Å; E416-M419 PolarHBondContact O-N 3.45Å; E416-T420 PolarHBondContact O-N 2.86Å; E416-T420 PolarHBondContact O-OG1 2.85Å; E416-T420 VanDerWaalsContact O-OG1 3.08Å
417Q97.6Very high97.9Very high88 Ų8823.5 Ų23.541%0.41112%0.124SC..Hα-helixtrans-65.3-43.1175.5-175.5173.8-3.400110.7T415 M419 T420 E421 A488T415-Q417 VanDerWaalsContact C-N 3.31Å; T415-Q417 PolarHBondContact O-N 3.27Å; Q417-M419 VanDerWaalsContact C-N 3.32Å; Q417-M419 PolarHBondContact O-N 2.74Å; Q417-T420 PolarHBondContact O-N 2.85Å; Q417-T420 VanDerWaalsContact O-N 3.16Å; Q417-E421 HydrophobicContact CG-CG 4.07Å; Q417-E421 WeakPolarHBondContact CG-OE1 3.36Å; Q417-E421 PolarHBondContact NE2-OE1 3.18Å; Q417-E421 WeakPolarHBondContact O-CB 3.33Å; Q417-E421 WeakPolarHBondContact O-CG 3.37Å; Q417-E421 PolarHBondContact O-N 3.03Å; Q417-A488 PolarHBondContact NE2-O 3.26Å
418G97.8Very high98Very high0 Ų022.3 Ų22.30%012%0.115CC..Hα-helixtrans-60.7-38.4171.300000113.2T415 T420 T422 F423 G424T415-G418 PolarHBondContact O-N 3.21Å; T415-G418 PolarHBondContact OG1-N 2.92Å; G418-T420 VanDerWaalsContact C-N 3.26Å; G418-T420 PolarHBondContact O-N 2.82Å; G418-T422 CarbonylContact O-C 3.6Å; G418-T422 PolarHBondContact O-N 3.37Å; G418-T422 PolarHBondContact O-OG1 3.25Å; G418-F423 PolarHBondContact O-N 3.2Å; G418-G424 WeakPolarHBondContact O-CA 3.39Å; G418-G424 PolarHBondContact O-N 3.32Å
419M97.9Very high97.9Very high35 Ų3521.6 Ų21.617%0.17211%0.111CC..Hα-helixtrans-57.4-42.6173.9-167.561.3-177.300111.6H361 F381 P382 T415 E416 Q417 F423H361-M419 WeakPolarHBondContact ND1-CE 3.23Å; F381-M419 HydrophobicContact CD1-SD 4.05Å; F381-M419 HydrophobicContact CE1-SD 4.3Å; P382-M419 HydrophobicContact CG-CB 4.02Å; P382-M419 HydrophobicContact CG-CG 4.15Å; P382-M419 HydrophobicContact CG-SD 4.49Å; T415-M419 PolarHBondContact O-N 2.83Å; E416-M419 WeakPolarHBondContact O-CB 3.35Å; E416-M419 PolarHBondContact O-N 3.45Å; Q417-M419 VanDerWaalsContact C-N 3.32Å; Q417-M419 PolarHBondContact O-N 2.74Å; M419-F423 WeakPolarHBondContact O-CA 3.23Å; M419-F423 PolarHBondContact O-N 2.77Å
420T96.3Very high97.4Very high106 Ų10621.7 Ų21.765%0.6511%0.112SC*.Hα-helixtrans-80.3-44.5-176.6-54.50000113.2E416 Q417 G418E416-T420 PolarHBondContact O-N 2.86Å; E416-T420 PolarHBondContact O-OG1 2.85Å; E416-T420 VanDerWaalsContact O-OG1 3.08Å; Q417-T420 PolarHBondContact O-N 2.85Å; Q417-T420 VanDerWaalsContact O-N 3.16Å; G418-T420 VanDerWaalsContact C-N 3.26Å; G418-T420 PolarHBondContact O-N 2.82Å
421E95.9Very high96.9Very high68 Ų6821.8 Ų21.832%0.31811%0.113SC..Hα-helixtrans-86.9-28.6-170.8-67.4-172.9-176.600113.4Y37 I83 Q417Y37-E421 PolarHBondContact OH-OE2 2.96Å; I83-E421 WeakPolarHBondContact CD1-O 3.34Å; Q417-E421 HydrophobicContact CG-CG 4.07Å; Q417-E421 WeakPolarHBondContact CG-OE1 3.36Å; Q417-E421 PolarHBondContact NE2-OE1 3.18Å; Q417-E421 WeakPolarHBondContact O-CB 3.33Å; Q417-E421 WeakPolarHBondContact O-CG 3.37Å; Q417-E421 PolarHBondContact O-N 3.03Å
422T97.9Very high96.5Very high0 Ų023.2 Ų23.20%012%0.119CC..Hα-helixtrans-135.725-171.562.60000113.3Y37 I83 M99 G418 G424 T425 I490Y37-T422 HydrophobicContact CE2-CG2 3.73Å; I83-T422 HydrophobicContact CD1-CG2 4.45Å; I83-T422 HydrophobicContact CG2-CG2 4.18Å; M99-T422 VanDerWaalsContact CE-C 3.49Å; M99-T422 WeakPolarHBondContact CE-O 3.13Å; G418-T422 CarbonylContact O-C 3.6Å; G418-T422 PolarHBondContact O-N 3.37Å; G418-T422 PolarHBondContact O-OG1 3.25Å; T422-G424 PolarHBondContact O-N 3.07Å; T422-G424 VanDerWaalsContact O-N 3.16Å; T422-T425 WeakPolarHBondContact CB-O 3.34Å; T422-T425 WeakPolarHBondContact O-CB 3.37Å; T422-T425 PolarHBondContact O-N 3.12Å; T422-T425 PolarHBondContact O-OG1 3.43Å; T422-T425 PolarHBondContact OG1-N 3.37Å; T422-T425 PolarHBondContact OG1-O 2.78Å; T422-I490 HydrophobicContact CG2-CG2 3.83Å
423F98.3Very high95.9Very high6 Ų625.3 Ų25.33%0.02614%0.137CC..SBendtrans51.141.4179.8-59.5-69.2000111.8V79 H80 M99 A101 H361 V363 L370 R374 G418 M419 T425V79-F423 HydrophobicContact CG1-CZ 4.45Å; H80-F423 HydrophobicContact CB-CE2 4.27Å; H80-F423 HydrophobicContact CB-CZ 3.74Å; M99-F423 HydrophobicContact CE-CB 4.21Å; M99-F423 HydrophobicContact CE-CD2 3.79Å; M99-F423 HydrophobicContact CE-CG 4.49Å; M99-F423 HydrophobicContact SD-CB 4.32Å; M99-F423 HydrophobicContact SD-CD2 3.74Å; M99-F423 HydrophobicContact SD-CG 4.49Å; A101-F423 HydrophobicContact CB-CD2 3.9Å; A101-F423 HydrophobicContact CB-CE1 4.44Å; A101-F423 HydrophobicContact CB-CE2 3.77Å; A101-F423 HydrophobicContact CB-CG 4.3Å; A101-F423 HydrophobicContact CB-CZ 4.04Å; H361-F423 HydrophobicContact CB-CD1 3.84Å; H361-F423 HydrophobicContact CB-CE1 4.22Å; H361-F423 PolarHBondContact CE1-O 3.14Å; H361-F423 AromaticContact CG-CD1 3.66Å; H361-F423 AromaticContact ND1-CD1 3.73Å; V363-F423 HydrophobicContact CG2-CE1 3.83Å; V363-F423 HydrophobicContact CG2-CZ 4.42Å; L370-F423 HydrophobicContact CD1-CD1 3.93Å; L370-F423 HydrophobicContact CD1-CE1 3.52Å; L370-F423 HydrophobicContact CD1-CZ 4.13Å; R374-F423 PolarHBondContact NH2-O 2.99Å; G418-F423 PolarHBondContact O-N 3.2Å; M419-F423 WeakPolarHBondContact O-CA 3.23Å; M419-F423 PolarHBondContact O-N 2.77Å; F423-T425 PolarHBondContact O-N 3.46Å; F423-T425 PolarHBondContact O-OG1 2.87Å
424G98.3Very high95.2Very high0 Ų027.2 Ų27.20%015%0.146CC..SBendtrans60.546.9-177.900000112.2R379 A380 G418 T422R379-G424 CarbonylContact C-O 3.58Å; R379-G424 WeakPolarHBondContact CA-O 3.3Å; A380-G424 PolarHBondContact N-O 2.93Å; G418-G424 WeakPolarHBondContact O-CA 3.39Å; G418-G424 PolarHBondContact O-N 3.32Å; T422-G424 PolarHBondContact O-N 3.07Å; T422-G424 VanDerWaalsContact O-N 3.16Å
425T98.8Very high94.5Very high0 Ų030.4 Ų30.40%017%0.168CC..EExtended strand (participates in β ladder)trans-130.2138.8-176.2-51.80000111.4L85 M99 R374 T378 T422 F423L85-T425 HydrophobicContact CD1-CG2 3.93Å; M99-T425 HydrophobicContact CB-CG2 3.99Å; M99-T425 HydrophobicContact CG-CG2 3.92Å; R374-T425 HydrophobicContact CG-CG2 4.16Å; R374-T425 PolarHBondContact NE-OG1 2.91Å; R374-T425 PolarHBondContact NH2-OG1 3.25Å; T378-T425 CarbonylContact O-C 3.48Å; T378-T425 VanDerWaalsContact O-CA 3.28Å; T378-T425 WeakPolarHBondContact O-CA 3.4Å; T378-T425 WeakPolarHBondContact O-CG2 3.39Å; T422-T425 WeakPolarHBondContact CB-O 3.34Å; T422-T425 WeakPolarHBondContact O-CB 3.37Å; T422-T425 PolarHBondContact O-N 3.12Å; T422-T425 PolarHBondContact O-OG1 3.43Å; T422-T425 PolarHBondContact OG1-N 3.37Å; T422-T425 PolarHBondContact OG1-O 2.78Å; F423-T425 PolarHBondContact O-N 3.46Å; F423-T425 PolarHBondContact O-OG1 2.87Å
426T98.8Very high93.8Very high0 Ų034.6 Ų34.60%018%0.183CC..EExtended strand (participates in β ladder)trans-134.2-177.8173.1-165.10000111.3L85 T378 A380 V399 C485 S491L85-T426 WeakPolarHBondContact CD1-O 3.42Å; T378-T426 PolarHBondContact N-O 3.35Å; T378-T426 PolarHBondContact O-N 2.89Å; A380-T426 HydrophobicContact CB-CG2 3.75Å; V399-T426 HydrophobicContact CB-CG2 4.27Å; V399-T426 HydrophobicContact CG1-CG2 3.45Å; V399-T426 VanDerWaalsContact CG1-CG2 3.45Å; V399-T426 HydrophobicContact CG2-CG2 4.15Å; T426-C485 PolarHBondContact OG1-SG 3.16Å; T426-S491 PolarHBondContact OG1-OG 3.24Å
427C98.2Very high93Very high0 Ų031.2 Ų31.20%017%0.174CC..EExtended strand (participates in β ladder)trans-57.5169.5178.361.60000113.3D87 T378 I401 V481 C485D87-C427 WeakPolarHBondContact OD2-CB 3.38Å; T378-C427 WeakPolarHBondContact CB-O 3.42Å; T378-C427 PolarHBondContact OG1-O 3.23Å; I401-C427 WeakPolarHBondContact CD1-O 3.45Å; C427-V481 HydrophobicContact CB-CG1 3.66Å; C427-C485 PolarHBondContact SG-SG 3.32Å
428H96.4Very high92.3Very high19 Ų1931.7 Ų31.79%0.08817%0.174CC..  trans-118.2-23.3176.279.8-63.6000114.3D87 H353 G376 T378 G402D87-H428 IonicContact OD2-CE1 2.83Å; D87-H428 PolarHBondContact OD2-CE1 2.93Å; D87-H428 IonicContact OD2-CG 3.72Å; D87-H428 PolarHBondContact OD2-N 3.06Å; D87-H428 IonicContact OD2-ND1 2.7Å; D87-H428 PolarHBondContact OD2-ND1 2.78Å; H353-H428 HydrophobicContact CB-CB 3.49Å; H353-H428 VanDerWaalsContact CB-CB 3.49Å; H353-H428 AromaticContact CE1-CD2 3.99Å; H353-H428 AromaticContact CG-CD2 3.89Å; H353-H428 AromaticContact ND1-CD2 3.77Å; G376-H428 VanDerWaalsContact C-CG 3.45Å; G376-H428 VanDerWaalsContact C-ND1 3.27Å; G376-H428 WeakPolarHBondContact CA-ND1 3.33Å; G376-H428 PolarHBondContact O-ND1 3.45Å; T378-H428 VanDerWaalsContact OG1-CA 3.31Å; T378-H428 WeakPolarHBondContact OG1-CA 3.35Å; T378-H428 WeakPolarHBondContact OG1-CB 3.5Å; G402-H428 PolarHBondContact N-O 3.3Å
429G93.8Very high91.7Very high4 Ų431.7 Ų31.74%0.04117%0.174CC..BIsolated β-bridgetrans-178.1-161.4-175.400000112.2D87 G402 G431D87-G429 VanDerWaalsContact CB-O 3.25Å; D87-G429 WeakPolarHBondContact CB-O 3.43Å; D87-G429 PolarHBondContact OD2-N 3.44Å; G402-G429 WeakPolarHBondContact O-CA 3.29Å; G429-G431 PolarHBondContact O-N 3.46Å
430A88.8Confident91Very high2 Ų235.4 Ų35.42%0.01719%0.186CC..  trans-65.7-36.9178.900000113.4G402 T404 Y475 K476 V478G402-A430 PolarHBondContact O-N 2.77Å; T404-A430 HydrophobicContact CG2-CB 4.47Å; A430-Y475 HydrophobicContact CB-CD1 4.01Å; A430-Y475 HydrophobicContact CB-CG 4.34Å; A430-K476 WeakPolarHBondContact CB-O 3.45Å; A430-K476 VanDerWaalsContact O-CB 3.32Å; A430-K476 WeakPolarHBondContact O-CB 3.5Å; A430-K476 WeakPolarHBondContact O-CD 3.44Å; A430-V478 HydrophobicContact CB-CB 3.99Å; A430-V478 HydrophobicContact CB-CG2 4.48Å
431G88.2Confident90.4Very high4 Ų439.4 Ų39.44%0.04119%0.19CC..  trans70.1147.5-170.100000112.8G429 Y475 K476G429-G431 PolarHBondContact O-N 3.46Å; G431-Y475 WeakPolarHBondContact O-CA 3.49Å; G431-Y475 WeakPolarHBondContact O-CD1 3.33Å; G431-K476 PolarHBondContact O-N 3.5Å
432R89.8Confident89.9Confident30 Ų3041.1 Ų41.111%0.11320%0.201CC..BIsolated β-bridgetrans-78134.4-174.6-65.5-166.768.3940.6111.4H89 L434 S439 E469 E470 Y475H89-R432 PolarHBondContact CE1-N 3.3Å; R432-L434 PolarHBondContact NE-O 3.43Å; R432-L434 PolarHBondContact NH2-O 3.26Å; R432-L434 VanDerWaalsContact NH2-O 3.09Å; R432-S439 PolarHBondContact NH2-OG 2.74Å; R432-E469 VanDerWaalsContact CZ-O 3.27Å; R432-E469 PolarHBondContact NH1-O 3.1Å; R432-E469 PolarHBondContact NH2-O 3.22Å; R432-E470 IonicContact NH1-OE1 2.81Å; R432-E470 IonicContact NH1-OE2 3.23Å; R432-E470 PolarHBondContact NH1-OE2 3.1Å; R432-E470 VanDerWaalsContact NH1-OE2 3.16Å; R432-Y475 HydrophobicContact CG-CD1 4.07Å; R432-Y475 HydrophobicContact CG-CE1 3.58Å; R432-Y475 PolarHBondContact NH1-OH 3.31Å; R432-Y475 VanDerWaalsContact NH1-OH 3.15Å
433A87.1Confident89.4Confident46 Ų4642.8 Ų42.838%0.3821%0.21SC..SBendtrans-93.2-29.7167.700000111.4S474 K476A433-S474 PolarHBondContact N-O 2.94Å; A433-K476 HydrophobicContact CB-CG 4.17Å
434L82.9Confident88.9Confident42 Ų4246.3 Ų46.322%0.2223%0.229CC..SBendtrans-122.6142.8-179.5-55.4178.5000111.5R432 K438 S474R432-L434 PolarHBondContact NE-O 3.43Å; R432-L434 PolarHBondContact NH2-O 3.26Å; R432-L434 VanDerWaalsContact NH2-O 3.09Å; L434-K438 HydrophobicContact CD2-CD 3.87Å; L434-S474 PolarHBondContact N-O 3.46Å
435S83.9Confident88.4Confident69 Ų6948.3 Ų48.348%0.48324%0.238SC..  trans-66.3149.3170.5740000110.6A437 K438 S439S435-A437 PolarHBondContact O-N 3.44Å; S435-A437 VanDerWaalsContact O-N 3.16Å; S435-K438 WeakPolarHBondContact O-CA 3.37Å; S435-K438 WeakPolarHBondContact O-CB 3.19Å; S435-K438 PolarHBondContact O-N 3.48Å; S435-K438 WeakPolarHBondContact OG-CB 3.3Å; S435-K438 PolarHBondContact OG-N 3.14Å; S435-S439 PolarHBondContact O-N 3.38Å; S435-S439 PolarHBondContact O-OG 3.16Å
436R84.3Confident88Confident98 Ų9852.9 Ų52.937%0.3726%0.259SS..Hα-helixtrans-53.3-38.8177.6-70.9178.4168.7114.54.7112.8K438 S439 R440 E469 E470R436-K438 VanDerWaalsContact C-N 3.31Å; R436-K438 PolarHBondContact O-N 3.17Å; R436-S439 PolarHBondContact O-N 2.83Å; R436-R440 WeakPolarHBondContact O-CG 3.25Å; R436-R440 PolarHBondContact O-N 3.04Å; R436-E469 HydrophobicContact CB-CG 4.21Å; R436-E469 WeakPolarHBondContact CD-OE2 3.19Å; R436-E469 HydrophobicContact CG-CB 4.29Å; R436-E469 HydrophobicContact CG-CG 4.44Å; R436-E469 IonicContact NE-OE2 2.71Å; R436-E470 IonicContact CZ-OE1 3.35Å; R436-E470 IonicContact NE-OE1 3.73Å; R436-E470 PolarHBondContact NE-OE1 2.81Å; R436-E470 IonicContact NH2-OE1 3.22Å; R436-E470 PolarHBondContact NH2-OE1 3.29Å
437A82.9Confident87.6Confident38 Ų3857.2 Ų57.231%0.31428%0.282SS..Hα-helixtrans-68.6-27.8176.900000113.4S435 R441S435-A437 PolarHBondContact O-N 3.44Å; S435-A437 VanDerWaalsContact O-N 3.16Å; A437-R441 WeakPolarHBondContact O-CG 3.36Å; A437-R441 PolarHBondContact O-NE 3.49Å
438K83.2Confident87.2Confident98 Ų9857.4 Ų57.443%0.42628%0.283SS..Hα-helixtrans-78.3-41.4173.4-171.3170.8175.7-171.50110.5L434 S435 R436 R440 R441 N442L434-K438 HydrophobicContact CD2-CD 3.87Å; S435-K438 WeakPolarHBondContact O-CA 3.37Å; S435-K438 WeakPolarHBondContact O-CB 3.19Å; S435-K438 PolarHBondContact O-N 3.48Å; S435-K438 WeakPolarHBondContact OG-CB 3.3Å; S435-K438 PolarHBondContact OG-N 3.14Å; R436-K438 VanDerWaalsContact C-N 3.31Å; R436-K438 PolarHBondContact O-N 3.17Å; K438-R440 PolarHBondContact O-N 3.39Å; K438-R441 PolarHBondContact O-N 2.98Å; K438-R441 VanDerWaalsContact O-N 3.15Å; K438-N442 PolarHBondContact O-N 3.27Å
439S84.6Confident86.9Confident0 Ų058.2 Ų58.20%029%0.288CS..Hα-helixtrans-56.7-50.7174.5-53.50000112.2R432 S435 R436 R441 N442 L443 M468 S474R432-S439 PolarHBondContact NH2-OG 2.74Å; S435-S439 PolarHBondContact O-N 3.38Å; S435-S439 PolarHBondContact O-OG 3.16Å; R436-S439 PolarHBondContact O-N 2.83Å; S439-R441 PolarHBondContact O-N 2.63Å; S439-R441 VanDerWaalsContact O-N 3.09Å; S439-N442 PolarHBondContact O-N 3.45Å; S439-N442 VanDerWaalsContact O-N 3.09Å; S439-L443 WeakPolarHBondContact O-CB 3.19Å; S439-L443 PolarHBondContact O-N 3.26Å; S439-M468 WeakPolarHBondContact CB-O 3.36Å; S439-S474 VanDerWaalsContact CB-OG 3.25Å; S439-S474 WeakPolarHBondContact CB-OG 3.38Å; S439-S474 WeakPolarHBondContact OG-CB 3.24Å; S439-S474 PolarHBondContact OG-OG 3.17Å
440R82.4Confident86.9Confident113 Ų11361.5 Ų61.543%0.42631%0.305SS..Hα-helixtrans-60.1-21.7177.5-72.7-170.7-61-101.61115.2R436 K438 E469R436-R440 WeakPolarHBondContact O-CG 3.25Å; R436-R440 PolarHBondContact O-N 3.04Å; K438-R440 PolarHBondContact O-N 3.39Å; R440-E469 WeakPolarHBondContact CD-OE1 3.24Å; R440-E469 HydrophobicContact CG-CG 3.62Å; R440-E469 IonicContact CZ-OE1 3.65Å; R440-E469 IonicContact NE-OE1 3.37Å; R440-E469 IonicContact NH1-OE1 2.72Å; R440-E469 PolarHBondContact NH1-OE1 2.97Å; R440-E469 IonicContact NH1-OE2 3.94Å
441R84.6Confident87.1Confident190 Ų19066.3 Ų66.372%0.71733%0.325SS*.Hα-helixtrans-88.8-25179.3-80.4-176.4-80175.2-4.9112.6A437 K438 S439A437-R441 WeakPolarHBondContact O-CG 3.36Å; A437-R441 PolarHBondContact O-NE 3.49Å; K438-R441 PolarHBondContact O-N 2.98Å; K438-R441 VanDerWaalsContact O-N 3.15Å; S439-R441 PolarHBondContact O-N 2.63Å; S439-R441 VanDerWaalsContact O-N 3.09Å
442N85.8Confident87.3Confident105 Ų10566.2 Ų66.256%0.56132%0.324SS*.Hα-helixtrans-112.3-16.8-167.2-69.19.1000113.6K438 S439K438-N442 PolarHBondContact O-N 3.27Å; S439-N442 PolarHBondContact O-N 3.45Å; S439-N442 VanDerWaalsContact O-N 3.09Å
443L86.4Confident87.5Confident34 Ų3468 Ų6818%0.17835%0.345CS..  trans-117.5137.3-174.4-57.8178.2000109.8S439 A471 E473S439-L443 WeakPolarHBondContact O-CB 3.19Å; S439-L443 PolarHBondContact O-N 3.26Å; L443-A471 HydrophobicContact CD1-CB 3.56Å; L443-E473 HydrophobicContact CD2-CB 4.48Å
444D88.3Confident87.9Confident80 Ų8072.6 Ų72.643%0.42836%0.363SS..  trans-91.4146.2170.9-172.4-93.1000110.8Q446 D447 V448D444-Q446 WeakPolarHBondContact OD1-CB 3.31Å; D444-Q446 PolarHBondContact OD1-N 3.26Å; D444-D447 HydrophobicContact CB-CB 4.17Å; D444-D447 PolarHBondContact OD1-N 3Å; D444-V448 VanDerWaalsContact O-CG2 3.3Å; D444-V448 WeakPolarHBondContact O-CG2 3.47Å; D444-V448 PolarHBondContact O-N 3.44Å
445F87.9Confident88.5Confident43 Ų4376 Ų7619%0.18938%0.379CS..Hα-helixtrans-68.3-44.2-179169.2-103.6000112.8V448 L449 P464 V467 M468F445-V448 PolarHBondContact O-N 3.42Å; F445-L449 HydrophobicContact CD1-CD1 4.21Å; F445-L449 HydrophobicContact CE1-CD1 3.38Å; F445-L449 HydrophobicContact CE1-CG 4.13Å; F445-L449 HydrophobicContact CE2-CD1 3.99Å; F445-L449 HydrophobicContact CE2-CD2 4.28Å; F445-L449 HydrophobicContact CE2-CG 4.04Å; F445-L449 HydrophobicContact CZ-CD1 3.28Å; F445-L449 HydrophobicContact CZ-CD2 4.29Å; F445-L449 HydrophobicContact CZ-CG 3.85Å; F445-L449 PolarHBondContact O-N 3.01Å; F445-L449 VanDerWaalsContact O-N 3.14Å; F445-P464 HydrophobicContact CD1-CB 4.25Å; F445-P464 HydrophobicContact CD2-CB 3.88Å; F445-P464 WeakPolarHBondContact CD2-O 3.44Å; F445-P464 HydrophobicContact CE1-CB 3.99Å; F445-P464 HydrophobicContact CE1-CG 4.48Å; F445-P464 HydrophobicContact CE2-CB 3.6Å; F445-P464 HydrophobicContact CE2-CG 4.44Å; F445-P464 HydrophobicContact CG-CB 4.17Å; F445-P464 HydrophobicContact CZ-CB 3.63Å; F445-P464 HydrophobicContact CZ-CG 4.09Å; F445-V467 HydrophobicContact CD2-CB 3.63Å; F445-V467 HydrophobicContact CD2-CG1 3.87Å; F445-V467 HydrophobicContact CD2-CG2 4.22Å; F445-V467 HydrophobicContact CE2-CB 3.58Å; F445-V467 HydrophobicContact CE2-CG1 3.93Å; F445-V467 HydrophobicContact CE2-CG2 3.64Å; F445-M468 HydrophobicContact CB-CG 3.97Å; F445-M468 HydrophobicContact CB-SD 4.14Å
446Q89.3Confident89Confident95 Ų9574.2 Ų74.244%0.44437%0.372SS..Hα-helixtrans-68.1-42.7-176.2-169.461.653.500109.9D444 V448 L449 D450D444-Q446 WeakPolarHBondContact OD1-CB 3.31Å; D444-Q446 PolarHBondContact OD1-N 3.26Å; Q446-V448 PolarHBondContact O-N 3.45Å; Q446-L449 PolarHBondContact O-N 3.41Å; Q446-L449 VanDerWaalsContact O-N 3.08Å; Q446-D450 PolarHBondContact NE2-OD1 3.16Å; Q446-D450 WeakPolarHBondContact O-CB 3.35Å; Q446-D450 VanDerWaalsContact O-CG 3.24Å; Q446-D450 PolarHBondContact O-N 3.45Å
447D90.8Very high89.6Confident92 Ų9270 Ų7049%0.49236%0.356SS..Hα-helixtrans-56.6-38.8175.3-69-11.5000112.3D444 K451D444-D447 HydrophobicContact CB-CB 4.17Å; D444-D447 PolarHBondContact OD1-N 3Å; D447-K451 WeakPolarHBondContact O-CB 3.18Å; D447-K451 WeakPolarHBondContact O-CG 3.49Å; D447-K451 PolarHBondContact O-N 3.06Å; D447-K451 VanDerWaalsContact O-N 3.1Å
448V89.8Confident90.3Very high4 Ų468.3 Ų68.32%0.02434%0.342CS..Hα-helixtrans-69.3-42.2177.7174.90000110.8D444 F445 Q446 L452 V467 A471D444-V448 VanDerWaalsContact O-CG2 3.3Å; D444-V448 WeakPolarHBondContact O-CG2 3.47Å; D444-V448 PolarHBondContact O-N 3.44Å; F445-V448 PolarHBondContact O-N 3.42Å; Q446-V448 PolarHBondContact O-N 3.45Å; V448-L452 HydrophobicContact CG1-CD1 4.23Å; V448-L452 VanDerWaalsContact O-CG 3.28Å; V448-L452 WeakPolarHBondContact O-CG 3.29Å; V448-L452 PolarHBondContact O-N 3.37Å; V448-L452 VanDerWaalsContact O-N 3.12Å; V448-V467 HydrophobicContact CB-CG1 4.04Å; V448-V467 HydrophobicContact CG1-CG1 3.54Å; V448-A471 HydrophobicContact CG1-CB 4.12Å; V448-A471 HydrophobicContact CG2-CB 3.77Å
449L91Very high90.8Very high35 Ų3565 Ų6518%0.18333%0.329CS..Hα-helixtrans-65.1-43.7177-70.5-171.3000112.2F445 Q446 K451 L452 A453 I459 V467F445-L449 HydrophobicContact CD1-CD1 4.21Å; F445-L449 HydrophobicContact CE1-CD1 3.38Å; F445-L449 HydrophobicContact CE1-CG 4.13Å; F445-L449 HydrophobicContact CE2-CD1 3.99Å; F445-L449 HydrophobicContact CE2-CD2 4.28Å; F445-L449 HydrophobicContact CE2-CG 4.04Å; F445-L449 HydrophobicContact CZ-CD1 3.28Å; F445-L449 HydrophobicContact CZ-CD2 4.29Å; F445-L449 HydrophobicContact CZ-CG 3.85Å; F445-L449 PolarHBondContact O-N 3.01Å; F445-L449 VanDerWaalsContact O-N 3.14Å; Q446-L449 PolarHBondContact O-N 3.41Å; Q446-L449 VanDerWaalsContact O-N 3.08Å; L449-K451 VanDerWaalsContact C-N 3.35Å; L449-K451 PolarHBondContact O-N 3.43Å; L449-L452 PolarHBondContact O-N 3.4Å; L449-A453 WeakPolarHBondContact O-CB 3.3Å; L449-A453 PolarHBondContact O-N 2.79Å; L449-I459 HydrophobicContact CD2-CD1 4.34Å; L449-I459 HydrophobicContact CD2-CG2 3.66Å; L449-V467 HydrophobicContact CD2-CG1 4.28Å
450D92.6Very high91.3Very high74 Ų7467.4 Ų67.440%0.39634%0.338SS..Hα-helixtrans-63.2-43.3-179.4-67.1-10.4000110.2Q446 L452 A453 D454Q446-D450 PolarHBondContact NE2-OD1 3.16Å; Q446-D450 WeakPolarHBondContact O-CB 3.35Å; Q446-D450 VanDerWaalsContact O-CG 3.24Å; Q446-D450 PolarHBondContact O-N 3.45Å; D450-L452 VanDerWaalsContact C-N 3.35Å; D450-L452 PolarHBondContact O-N 2.96Å; D450-A453 WeakPolarHBondContact O-CB 3.41Å; D450-A453 PolarHBondContact O-N 3.06Å; D450-D454 VanDerWaalsContact O-CG 3.3Å; D450-D454 PolarHBondContact O-N 2.87Å
451K93.4Very high91.6Very high102 Ų10263.8 Ų63.844%0.44333%0.328SS..Hα-helixtrans-59.6-42.1173-74176.4-166.2-174.90112.9D447 L449 A453 D454 M455 E473D447-K451 WeakPolarHBondContact O-CB 3.18Å; D447-K451 WeakPolarHBondContact O-CG 3.49Å; D447-K451 PolarHBondContact O-N 3.06Å; D447-K451 VanDerWaalsContact O-N 3.1Å; L449-K451 VanDerWaalsContact C-N 3.35Å; L449-K451 PolarHBondContact O-N 3.43Å; K451-A453 VanDerWaalsContact C-N 3.33Å; K451-D454 PolarHBondContact O-N 2.77Å; K451-M455 WeakPolarHBondContact O-CG 3.34Å; K451-M455 PolarHBondContact O-N 2.85Å; K451-E473 IonicContact NZ-OE1 2.81Å; K451-E473 PolarHBondContact NZ-OE1 3.45Å
452L93.6Very high91.6Very high3 Ų357.1 Ų57.12%0.01631%0.313CS..Hα-helixtrans-66.8-38.2177.6-69.2172.1000111.4M405 G406 V448 L449 D450 M455 G456 I457 I459M405-L452 HydrophobicContact CG-CD1 3.93Å; M405-L452 HydrophobicContact CG-CD2 4.28Å; M405-L452 WeakPolarHBondContact O-CD2 3.35Å; M405-L452 HydrophobicContact SD-CD1 3.72Å; G406-L452 VanDerWaalsContact CA-CD2 3.5Å; V448-L452 HydrophobicContact CG1-CD1 4.23Å; V448-L452 VanDerWaalsContact O-CG 3.28Å; V448-L452 WeakPolarHBondContact O-CG 3.29Å; V448-L452 PolarHBondContact O-N 3.37Å; V448-L452 VanDerWaalsContact O-N 3.12Å; L449-L452 PolarHBondContact O-N 3.4Å; D450-L452 VanDerWaalsContact C-N 3.35Å; D450-L452 PolarHBondContact O-N 2.96Å; L452-M455 CarbonylContact O-C 3.58Å; L452-M455 WeakPolarHBondContact O-CB 3.42Å; L452-M455 PolarHBondContact O-N 3.17Å; L452-G456 PolarHBondContact O-N 3.18Å; L452-I457 HydrophobicContact CB-CB 4.4Å; L452-I457 HydrophobicContact CD2-CD1 3.96Å; L452-I457 WeakPolarHBondContact O-CB 3.2Å; L452-I457 PolarHBondContact O-N 3.3Å; L452-I459 HydrophobicContact CD1-CD1 3.62Å
453A93.4Very high91.4Very high66 Ų6653.9 Ų53.955%0.54530%0.299SS..Hα-helixtrans-65-41.4174.700000111.8L449 D450 K451 M455 G456L449-A453 WeakPolarHBondContact O-CB 3.3Å; L449-A453 PolarHBondContact O-N 2.79Å; D450-A453 WeakPolarHBondContact O-CB 3.41Å; D450-A453 PolarHBondContact O-N 3.06Å; K451-A453 VanDerWaalsContact C-N 3.33Å; A453-M455 PolarHBondContact O-N 2.73Å; A453-G456 WeakPolarHBondContact O-CA 3.21Å; A453-G456 PolarHBondContact O-N 3.09Å
454D95.7Very high90.8Very high143 Ų14355.7 Ų55.777%0.76531%0.313SS*.Hα-helixtrans-61.8-31.8174-72.6-17.8000112.1D450 K451 G456D450-D454 VanDerWaalsContact O-CG 3.3Å; D450-D454 PolarHBondContact O-N 2.87Å; K451-D454 PolarHBondContact O-N 2.77Å; D454-G456 PolarHBondContact O-N 3.4Å
455M94.6Very high90.1Very high115 Ų11559 Ų5957%0.56732%0.324SS*.THydrogen-bonded Turntrans-78.8-2.8172.1-65.6176.169.300113.3G406 K451 L452 A453 I457G406-M455 WeakPolarHBondContact O-CE 3.36Å; K451-M455 WeakPolarHBondContact O-CG 3.34Å; K451-M455 PolarHBondContact O-N 2.85Å; L452-M455 CarbonylContact O-C 3.58Å; L452-M455 WeakPolarHBondContact O-CB 3.42Å; L452-M455 PolarHBondContact O-N 3.17Å; A453-M455 PolarHBondContact O-N 2.73Å; M455-I457 VanDerWaalsContact C-N 3.35Å; M455-I457 HydrophobicContact CB-CD1 3.95Å; M455-I457 HydrophobicContact CB-CG1 4.05Å; M455-I457 HydrophobicContact CE-CD1 4.11Å; M455-I457 HydrophobicContact SD-CD1 4.48Å
456G95.3Very high89.5Confident31 Ų3158.2 Ų58.232%0.3232%0.321SS..THydrogen-bonded Turntrans73.522.5-178.700000114.2K140 L452 A453 D454K140-G456 PolarHBondContact NZ-O 3.29Å; L452-G456 PolarHBondContact O-N 3.18Å; A453-G456 WeakPolarHBondContact O-CA 3.21Å; A453-G456 PolarHBondContact O-N 3.09Å; D454-G456 PolarHBondContact O-N 3.4Å
457I96.8Very high89.1Confident10 Ų1053.7 Ų53.75%0.05130%0.3CS..  trans-94.3118.5-177.2-58.1172.4000110.1L452 M455 P499 I500 V502L452-I457 HydrophobicContact CB-CB 4.4Å; L452-I457 HydrophobicContact CD2-CD1 3.96Å; L452-I457 WeakPolarHBondContact O-CB 3.2Å; L452-I457 PolarHBondContact O-N 3.3Å; M455-I457 VanDerWaalsContact C-N 3.35Å; M455-I457 HydrophobicContact CB-CD1 3.95Å; M455-I457 HydrophobicContact CB-CG1 4.05Å; M455-I457 HydrophobicContact CE-CD1 4.11Å; M455-I457 HydrophobicContact SD-CD1 4.48Å; I457-P499 HydrophobicContact CD1-CG 3.98Å; I457-I500 WeakPolarHBondContact CA-O 3.48Å; I457-V502 HydrophobicContact CG2-CG2 3.89Å
458A96.3Very high88.8Confident1 Ų150.9 Ų50.91%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-74.4131.5171.700000110K140 E141 A144 I500 A501 V502K140-A458 HydrophobicContact CD-CB 4.32Å; K140-A458 HydrophobicContact CG-CB 4.02Å; E141-A458 VanDerWaalsContact OE1-CB 3.24Å; E141-A458 WeakPolarHBondContact OE1-CB 3.23Å; A144-A458 HydrophobicContact CB-CB 4.16Å; A458-I500 PolarHBondContact N-O 2.83Å; A458-A501 HydrophobicContact CB-CB 3.96Å; A458-A501 CarbonylContact O-C 3.56Å; A458-A501 WeakPolarHBondContact O-CA 3.05Å; A458-V502 PolarHBondContact O-N 3.16Å
459I94.4Very high88.5Confident29 Ų2951.8 Ų51.815%0.14929%0.288CS..EExtended strand (participates in β ladder)trans-126.9138.8-179.3-173.1164000112.1M405 L449 L452 V461 V502M405-I459 HydrophobicContact SD-CD1 3.62Å; L449-I459 HydrophobicContact CD2-CD1 4.34Å; L449-I459 HydrophobicContact CD2-CG2 3.66Å; L452-I459 HydrophobicContact CD1-CD1 3.62Å; I459-V461 HydrophobicContact CD1-CG1 3.73Å; I459-V461 HydrophobicContact CG1-CG1 3.68Å; I459-V502 CarbonylContact C-O 3.45Å; I459-V502 WeakPolarHBondContact CA-O 3.25Å
460R94.1Very high88.4Confident50 Ų5050.4 Ų50.419%0.18928%0.281CS..EExtended strand (participates in β ladder)trans-127.4122.9168.7-59.2-65-179-84.1-5.1109.6E141 A144 F148 V502 I503 K504E141-R460 PolarHBondContact O-NH2 3.45Å; E141-R460 IonicContact OE2-CZ 2.72Å; E141-R460 VanDerWaalsContact OE2-CZ 3.23Å; E141-R460 IonicContact OE2-NH1 2.92Å; E141-R460 PolarHBondContact OE2-NH1 3Å; E141-R460 IonicContact OE2-NH2 2.7Å; E141-R460 PolarHBondContact OE2-NH2 3.4Å; A144-R460 HydrophobicContact CB-CG 4.3Å; F148-R460 HydrophobicContact CB-CB 3.93Å; F148-R460 HydrophobicContact CB-CG 4.1Å; F148-R460 HydrophobicContact CD2-CB 3.39Å; F148-R460 HydrophobicContact CD2-CG 4.41Å; F148-R460 HydrophobicContact CE2-CB 3.93Å; F148-R460 HydrophobicContact CG-CB 3.75Å; F148-R460 HydrophobicContact CG-CG 4.31Å; R460-V502 PolarHBondContact N-O 3.13Å; R460-I503 HydrophobicContact CB-CG2 4.11Å; R460-I503 HydrophobicContact CG-CG2 4.46Å; R460-I503 CarbonylContact O-C 3.53Å; R460-I503 WeakPolarHBondContact O-CA 3.25Å; R460-K504 PolarHBondContact O-N 3.45Å
461V90.1Very high88.2Confident38 Ų3846.9 Ų46.923%0.2326%0.262CS..EExtended strand (participates in β ladder)trans-128.5135-173.9-71.40000110.7I459 S463 V467 K504I459-V461 HydrophobicContact CD1-CG1 3.73Å; I459-V461 HydrophobicContact CG1-CG1 3.68Å; V461-S463 VanDerWaalsContact C-N 3.32Å; V461-V467 HydrophobicContact CB-CG2 3.86Å; V461-V467 HydrophobicContact CG1-CG2 3.31Å; V461-V467 HydrophobicContact CG2-CG2 3.9Å; V461-K504 WeakPolarHBondContact CA-O 3.34Å; V461-K504 HydrophobicContact CG1-CB 4.11Å
462A84.5Confident88Confident49 Ų4943.5 Ų43.541%0.40525%0.251SS..SBendtrans-70.5-30.2175.200000112.7V153 K504V153-A462 HydrophobicContact CG2-CB 3.79Å; A462-K504 PolarHBondContact N-O 3.06Å
463S80.5Confident87.8Confident38 Ų3846.9 Ų46.927%0.26627%0.266SS..  trans-144.7128.6-178.5-171.30000112.2V461 K465 L466V461-S463 VanDerWaalsContact C-N 3.32Å; S463-K465 PolarHBondContact O-N 3.48Å; S463-L466 PolarHBondContact O-N 2.89Å; S463-L466 VanDerWaalsContact O-N 3.12Å
464P75.1Confident87.6Confident71 Ų7143.7 Ų43.746%0.46124%0.24SC..THydrogen-bonded Turntrans-55.6-35.3174.3-29.336.4000113.9F445 L466 V467F445-P464 HydrophobicContact CD1-CB 4.25Å; F445-P464 HydrophobicContact CD2-CB 3.88Å; F445-P464 WeakPolarHBondContact CD2-O 3.44Å; F445-P464 HydrophobicContact CE1-CB 3.99Å; F445-P464 HydrophobicContact CE1-CG 4.48Å; F445-P464 HydrophobicContact CE2-CB 3.6Å; F445-P464 HydrophobicContact CE2-CG 4.44Å; F445-P464 HydrophobicContact CG-CB 4.17Å; F445-P464 HydrophobicContact CZ-CB 3.63Å; F445-P464 HydrophobicContact CZ-CG 4.09Å; P464-L466 PolarHBondContact O-N 2.93Å; P464-L466 VanDerWaalsContact O-N 3.17Å; P464-V467 PolarHBondContact O-N 3Å; P464-V467 VanDerWaalsContact O-N 3.12Å
465K72.8Confident87.5Confident150 Ų15038.4 Ų38.465%0.65221%0.21SC*.Hα-helixtrans-59.1-32.3-179.5-68-177.6179.5177.30112.7S463 V467S463-K465 PolarHBondContact O-N 3.48Å; K465-V467 VanDerWaalsContact C-N 3.32Å
466L74.8Confident87.5Confident26 Ų2633.7 Ų33.714%0.13619%0.186CC..Hα-helixtrans-82.4-9.7-175.9-66.3172.5000113.2A224 S463 P464 E470 K504 G505A224-L466 HydrophobicContact CB-CD1 4.21Å; S463-L466 PolarHBondContact O-N 2.89Å; S463-L466 VanDerWaalsContact O-N 3.12Å; P464-L466 PolarHBondContact O-N 2.93Å; P464-L466 VanDerWaalsContact O-N 3.17Å; L466-E470 WeakPolarHBondContact O-CB 3.47Å; L466-E470 VanDerWaalsContact O-CG 3.28Å; L466-E470 WeakPolarHBondContact O-CG 3.1Å; L466-K504 PolarHBondContact O-NZ 3.15Å; L466-G505 VanDerWaalsContact CD1-C 3.43Å; L466-G505 WeakPolarHBondContact CD1-O 3.18Å; L466-G505 WeakPolarHBondContact CD1-OXT 3.4Å
467V81.6Confident87.5Confident0 Ų036.3 Ų36.30%019%0.193CC..Hα-helixtrans-77.5-46.5176169.70000110.5M405 F445 V448 L449 V461 P464 K465 E469 E470 A471M405-V467 HydrophobicContact CE-CG1 4.31Å; M405-V467 VanDerWaalsContact CE-O 3.29Å; M405-V467 WeakPolarHBondContact CE-O 3.23Å; M405-V467 HydrophobicContact SD-CG1 4.23Å; F445-V467 HydrophobicContact CD2-CB 3.63Å; F445-V467 HydrophobicContact CD2-CG1 3.87Å; F445-V467 HydrophobicContact CD2-CG2 4.22Å; F445-V467 HydrophobicContact CE2-CB 3.58Å; F445-V467 HydrophobicContact CE2-CG1 3.93Å; F445-V467 HydrophobicContact CE2-CG2 3.64Å; V448-V467 HydrophobicContact CB-CG1 4.04Å; V448-V467 HydrophobicContact CG1-CG1 3.54Å; L449-V467 HydrophobicContact CD2-CG1 4.28Å; V461-V467 HydrophobicContact CB-CG2 3.86Å; V461-V467 HydrophobicContact CG1-CG2 3.31Å; V461-V467 HydrophobicContact CG2-CG2 3.9Å; P464-V467 PolarHBondContact O-N 3Å; P464-V467 VanDerWaalsContact O-N 3.12Å; K465-V467 VanDerWaalsContact C-N 3.32Å; V467-E469 VanDerWaalsContact C-N 3.29Å; V467-E469 PolarHBondContact O-N 3.08Å; V467-E470 CarbonylContact O-C 3.5Å; V467-E470 PolarHBondContact O-N 3.14Å; V467-E470 VanDerWaalsContact O-N 3.1Å; V467-A471 PolarHBondContact O-N 3.02Å
468M83.9Confident87.5Confident33 Ų3336 Ų3616%0.16319%0.191CC..Hα-helixtrans-60.3-38.4176.8-65.6175.9-7300112.6S439 F445 E470S439-M468 WeakPolarHBondContact CB-O 3.36Å; F445-M468 HydrophobicContact CB-CG 3.97Å; F445-M468 HydrophobicContact CB-SD 4.14Å; M468-E470 PolarHBondContact O-N 2.9Å
469E85.3Confident87.6Confident24 Ų2437.7 Ų37.711%0.11220%0.202CC..Hα-helixtrans-65-27.3179.3-72.2-178.1-15900113.1R432 R436 R440 V467R432-E469 VanDerWaalsContact CZ-O 3.27Å; R432-E469 PolarHBondContact NH1-O 3.1Å; R432-E469 PolarHBondContact NH2-O 3.22Å; R436-E469 HydrophobicContact CB-CG 4.21Å; R436-E469 WeakPolarHBondContact CD-OE2 3.19Å; R436-E469 HydrophobicContact CG-CB 4.29Å; R436-E469 HydrophobicContact CG-CG 4.44Å; R436-E469 IonicContact NE-OE2 2.71Å; R440-E469 WeakPolarHBondContact CD-OE1 3.24Å; R440-E469 HydrophobicContact CG-CG 3.62Å; R440-E469 IonicContact CZ-OE1 3.65Å; R440-E469 IonicContact NE-OE1 3.37Å; R440-E469 IonicContact NH1-OE1 2.72Å; R440-E469 PolarHBondContact NH1-OE1 2.97Å; R440-E469 IonicContact NH1-OE2 3.94Å; V467-E469 VanDerWaalsContact C-N 3.29Å; V467-E469 PolarHBondContact O-N 3.08Å
470E87.8Confident87.7Confident6 Ų638 Ų383%0.02820%0.203CC..Hα-helixtrans-115.88.9-169.5-55-61.2164.600112.3G225 M405 R432 R436 L466 V467 M468 Y475 K504G225-E470 VanDerWaalsContact C-OE1 3.29Å; G225-E470 WeakPolarHBondContact CA-OE1 3.5Å; G225-E470 WeakPolarHBondContact O-CG 3.25Å; M405-E470 HydrophobicContact CE-CB 3.58Å; M405-E470 WeakPolarHBondContact CE-O 3.49Å; R432-E470 IonicContact NH1-OE1 2.81Å; R432-E470 IonicContact NH1-OE2 3.23Å; R432-E470 PolarHBondContact NH1-OE2 3.1Å; R432-E470 VanDerWaalsContact NH1-OE2 3.16Å; R436-E470 IonicContact CZ-OE1 3.35Å; R436-E470 IonicContact NE-OE1 3.73Å; R436-E470 PolarHBondContact NE-OE1 2.81Å; R436-E470 IonicContact NH2-OE1 3.22Å; R436-E470 PolarHBondContact NH2-OE1 3.29Å; L466-E470 WeakPolarHBondContact O-CB 3.47Å; L466-E470 VanDerWaalsContact O-CG 3.28Å; L466-E470 WeakPolarHBondContact O-CG 3.1Å; V467-E470 CarbonylContact O-C 3.5Å; V467-E470 PolarHBondContact O-N 3.14Å; V467-E470 VanDerWaalsContact O-N 3.1Å; M468-E470 PolarHBondContact O-N 2.9Å; E470-Y475 WeakPolarHBondContact OE2-CE2 3.45Å; E470-Y475 PolarHBondContact OE2-OH 2.78Å; E470-K504 HydrophobicContact CB-CD 4.45Å
471A87.8Confident87.9Confident0 Ų035.6 Ų35.60%019%0.194CC..  trans-56.3145.7178.500000111.7L443 V448 V467 E473 S474L443-A471 HydrophobicContact CD1-CB 3.56Å; V448-A471 HydrophobicContact CG1-CB 4.12Å; V448-A471 HydrophobicContact CG2-CB 3.77Å; V467-A471 PolarHBondContact O-N 3.02Å; A471-E473 PolarHBondContact O-N 2.91Å; A471-E473 VanDerWaalsContact O-N 3.1Å; A471-S474 WeakPolarHBondContact O-CB 3.3Å; A471-S474 PolarHBondContact O-N 3Å; A471-S474 PolarHBondContact O-OG 3.32Å
472P89.1Confident88.3Confident31 Ų3133.8 Ų33.820%0.20118%0.183CC..G310 helixtrans-47.6-40.6-179.8-3137.1000114.8T407 S474 Y475T407-P472 HydrophobicContact CG2-CB 4.05Å; P472-S474 PolarHBondContact O-N 3.36Å; P472-S474 VanDerWaalsContact O-N 3.15Å; P472-Y475 PolarHBondContact O-N 2.64Å
473E89.6Confident89Confident73 Ų7333.5 Ų33.534%0.34118%0.175SC..G310 helixtrans-67.5-13.5-178.9-5793.1146.700113.6L443 K451 A471 Y475L443-E473 HydrophobicContact CD2-CB 4.48Å; K451-E473 IonicContact NZ-OE1 2.81Å; K451-E473 PolarHBondContact NZ-OE1 3.45Å; A471-E473 PolarHBondContact O-N 2.91Å; A471-E473 VanDerWaalsContact O-N 3.1Å; E473-Y475 VanDerWaalsContact C-N 3.26Å
474S89.9Confident89.8Confident0 Ų031.7 Ų31.70%016%0.162CC..G310 helixtrans-79.9-11.4174.6-60.70000113.4A433 L434 S439 A471 P472A433-S474 PolarHBondContact N-O 2.94Å; L434-S474 PolarHBondContact N-O 3.46Å; S439-S474 VanDerWaalsContact CB-OG 3.25Å; S439-S474 WeakPolarHBondContact CB-OG 3.38Å; S439-S474 WeakPolarHBondContact OG-CB 3.24Å; S439-S474 PolarHBondContact OG-OG 3.17Å; A471-S474 WeakPolarHBondContact O-CB 3.3Å; A471-S474 PolarHBondContact O-N 3Å; A471-S474 PolarHBondContact O-OG 3.32Å; P472-S474 PolarHBondContact O-N 3.36Å; P472-S474 VanDerWaalsContact O-N 3.15Å
475Y92.6Very high91Very high31 Ų3128.3 Ų28.312%0.12214%0.141CC..BIsolated β-bridgetrans-113160.2-174.6-73.1-90000111.3T404 A430 G431 R432 E470 P472 E473T404-Y475 HydrophobicContact CG2-CD1 4.18Å; T404-Y475 HydrophobicContact CG2-CD2 3.4Å; T404-Y475 VanDerWaalsContact CG2-CD2 3.4Å; T404-Y475 HydrophobicContact CG2-CE2 4.13Å; T404-Y475 HydrophobicContact CG2-CG 3.44Å; T404-Y475 VanDerWaalsContact CG2-CG 3.44Å; A430-Y475 HydrophobicContact CB-CD1 4.01Å; A430-Y475 HydrophobicContact CB-CG 4.34Å; G431-Y475 WeakPolarHBondContact O-CA 3.49Å; G431-Y475 WeakPolarHBondContact O-CD1 3.33Å; R432-Y475 HydrophobicContact CG-CD1 4.07Å; R432-Y475 HydrophobicContact CG-CE1 3.58Å; R432-Y475 PolarHBondContact NH1-OH 3.31Å; R432-Y475 VanDerWaalsContact NH1-OH 3.15Å; E470-Y475 WeakPolarHBondContact OE2-CE2 3.45Å; E470-Y475 PolarHBondContact OE2-OH 2.78Å; P472-Y475 PolarHBondContact O-N 2.64Å; E473-Y475 VanDerWaalsContact C-N 3.26Å
476K94.5Very high92.2Very high17 Ų1724.5 Ų24.57%0.07413%0.125CC..  trans-69.8166.3168-53.6164.3164.4-178.40109.1L42 L45 P86 D87 V88 A430 G431 A433 V478L42-K476 HydrophobicContact CD2-CB 4.07Å; L42-K476 HydrophobicContact CD2-CD 3.99Å; L42-K476 HydrophobicContact CD2-CG 4.3Å; L45-K476 HydrophobicContact CD1-CG 3.95Å; P86-K476 PolarHBondContact O-NZ 3.07Å; D87-K476 PolarHBondContact O-NZ 3.03Å; V88-K476 PolarHBondContact O-NZ 3.38Å; A430-K476 WeakPolarHBondContact CB-O 3.45Å; A430-K476 VanDerWaalsContact O-CB 3.32Å; A430-K476 WeakPolarHBondContact O-CB 3.5Å; A430-K476 WeakPolarHBondContact O-CD 3.44Å; G431-K476 PolarHBondContact O-N 3.5Å; A433-K476 HydrophobicContact CB-CG 4.17Å; K476-V478 PolarHBondContact O-N 3.31Å
477N95.9Very high93.3Very high86 Ų8628.2 Ų28.246%0.4615%0.145SC..  trans-71.2114171.6-171.9-28.4000109.9T479 D480 V481N477-T479 PolarHBondContact O-N 3.33Å; N477-T479 VanDerWaalsContact OD1-CB 3.28Å; N477-T479 WeakPolarHBondContact OD1-CB 3.45Å; N477-T479 PolarHBondContact OD1-N 3.32Å; N477-D480 HydrophobicContact CB-CB 4.16Å; N477-D480 WeakPolarHBondContact O-CB 3.48Å; N477-D480 PolarHBondContact O-N 3.04Å; N477-D480 VanDerWaalsContact O-N 3.09Å; N477-V481 PolarHBondContact O-N 3.08Å
478V96.8Very high94.1Very high2 Ų228.5 Ų28.51%0.01215%0.147CC..Hα-helixtrans-59.8-30.7178.8650000112.9I401 C408 Y410 A430 K476 V481 V482I401-V478 HydrophobicContact CG2-CG2 3.95Å; C408-V478 VanDerWaalsContact O-CG1 3.24Å; C408-V478 WeakPolarHBondContact O-CG1 3.33Å; Y410-V478 HydrophobicContact CD2-CG2 4.35Å; Y410-V478 HydrophobicContact CE2-CG1 4.33Å; A430-V478 HydrophobicContact CB-CB 3.99Å; A430-V478 HydrophobicContact CB-CG2 4.48Å; K476-V478 PolarHBondContact O-N 3.31Å; V478-V481 PolarHBondContact O-N 3.46Å; V478-V482 HydrophobicContact CG2-CG2 4.42Å; V478-V482 WeakPolarHBondContact O-CB 3.45Å; V478-V482 WeakPolarHBondContact O-CG2 3.37Å; V478-V482 PolarHBondContact O-N 3.46Å
479T97.8Very high94.8Very high38 Ų3827.5 Ų27.523%0.23315%0.146CC..Hα-helixtrans-68.3-38176-59.60000111.2Y410 N477 V481 V482 N483Y410-T479 WeakPolarHBondContact OH-CG2 3.26Å; Y410-T479 PolarHBondContact OH-OG1 3.4Å; N477-T479 PolarHBondContact O-N 3.33Å; N477-T479 VanDerWaalsContact OD1-CB 3.28Å; N477-T479 WeakPolarHBondContact OD1-CB 3.45Å; N477-T479 PolarHBondContact OD1-N 3.32Å; T479-V481 VanDerWaalsContact C-N 3.34Å; T479-V482 PolarHBondContact O-N 2.98Å; T479-N483 WeakPolarHBondContact CG2-ND2 3.49Å; T479-N483 VanDerWaalsContact O-CB 3.25Å; T479-N483 WeakPolarHBondContact O-CB 2.98Å; T479-N483 PolarHBondContact O-N 2.95Å; T479-N483 PolarHBondContact O-ND2 3.32Å
480D97.8Very high95.4Very high35 Ų3526.4 Ų26.419%0.18714%0.14CC..Hα-helixtrans-64.2-41.6174.4-73.3-17.7000111S41 L42 N477 T484S41-D480 WeakPolarHBondContact CB-OD2 3.28Å; S41-D480 PolarHBondContact OG-OD2 3.39Å; L42-D480 HydrophobicContact CD1-CB 4.27Å; L42-D480 HydrophobicContact CD2-CB 4.35Å; L42-D480 HydrophobicContact CG-CB 4.18Å; N477-D480 HydrophobicContact CB-CB 4.16Å; N477-D480 WeakPolarHBondContact O-CB 3.48Å; N477-D480 PolarHBondContact O-N 3.04Å; N477-D480 VanDerWaalsContact O-N 3.09Å; D480-T484 WeakPolarHBondContact O-CB 3.29Å; D480-T484 PolarHBondContact O-N 3.08Å; D480-T484 PolarHBondContact O-OG1 2.96Å
481V98.4Very high95.9Very high0 Ų026.1 Ų26.10%014%0.139CC..Hα-helixtrans-60.9-52.5176.5171.90000110.6L42 P86 D87 C427 N477 V478 T479 T484 C485L42-V481 HydrophobicContact CD1-CG2 4.08Å; L42-V481 HydrophobicContact CD2-CG2 4.46Å; P86-V481 HydrophobicContact CB-CB 4.37Å; P86-V481 HydrophobicContact CB-CG1 4.05Å; P86-V481 HydrophobicContact CB-CG2 4.5Å; D87-V481 HydrophobicContact CB-CG1 3.95Å; D87-V481 HydrophobicContact CB-CG2 4.24Å; C427-V481 HydrophobicContact CB-CG1 3.66Å; N477-V481 PolarHBondContact O-N 3.08Å; V478-V481 PolarHBondContact O-N 3.46Å; T479-V481 VanDerWaalsContact C-N 3.34Å; V481-T484 WeakPolarHBondContact O-CB 3.31Å; V481-T484 PolarHBondContact O-N 2.96Å; V481-C485 PolarHBondContact O-N 3.12Å; V481-C485 PolarHBondContact O-SG 3.29Å
482V98.5Very high96.4Very high0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-65.1-43-177.6167.20000111.8I401 Y410 L412 V478 T479 T484 C485 H486 K493I401-V482 HydrophobicContact CB-CG2 4.39Å; I401-V482 HydrophobicContact CG1-CG2 4.47Å; I401-V482 HydrophobicContact CG2-CG2 3.87Å; Y410-V482 HydrophobicContact CD1-CG1 4.07Å; Y410-V482 HydrophobicContact CD2-CB 4.22Å; Y410-V482 HydrophobicContact CD2-CG1 4.34Å; Y410-V482 HydrophobicContact CD2-CG2 3.67Å; Y410-V482 HydrophobicContact CE1-CG1 4.36Å; Y410-V482 HydrophobicContact CE2-CB 4.37Å; Y410-V482 HydrophobicContact CE2-CG2 4.22Å; Y410-V482 HydrophobicContact CG-CB 4.42Å; Y410-V482 HydrophobicContact CG-CG1 4.06Å; Y410-V482 HydrophobicContact CG-CG2 3.98Å; L412-V482 HydrophobicContact CD1-CG1 4.42Å; L412-V482 HydrophobicContact CD1-CG2 4.49Å; L412-V482 HydrophobicContact CD2-CG1 3.56Å; L412-V482 HydrophobicContact CD2-CG2 4.48Å; V478-V482 HydrophobicContact CG2-CG2 4.42Å; V478-V482 WeakPolarHBondContact O-CB 3.45Å; V478-V482 WeakPolarHBondContact O-CG2 3.37Å; V478-V482 PolarHBondContact O-N 3.46Å; T479-V482 PolarHBondContact O-N 2.98Å; V482-T484 VanDerWaalsContact C-N 3.31Å; V482-T484 PolarHBondContact O-N 2.85Å; V482-C485 PolarHBondContact O-N 3.21Å; V482-H486 WeakPolarHBondContact O-CB 3.38Å; V482-H486 PolarHBondContact O-N 2.95Å; V482-K493 HydrophobicContact CG1-CD 3.84Å; V482-K493 HydrophobicContact CG1-CG 3.64Å
483N98.5Very high96.9Very high43 Ų4332 Ų3223%0.2316%0.162CC..Hα-helixtrans-62.3-40.7175.8-74-22.6000111T479 C485 H486 D487 K493T479-N483 WeakPolarHBondContact CG2-ND2 3.49Å; T479-N483 VanDerWaalsContact O-CB 3.25Å; T479-N483 WeakPolarHBondContact O-CB 2.98Å; T479-N483 PolarHBondContact O-N 2.95Å; T479-N483 PolarHBondContact O-ND2 3.32Å; N483-C485 VanDerWaalsContact C-N 3.34Å; N483-C485 PolarHBondContact O-N 3.02Å; N483-H486 WeakPolarHBondContact O-CB 3.19Å; N483-H486 PolarHBondContact O-N 3.26Å; N483-H486 VanDerWaalsContact O-N 3.12Å; N483-D487 WeakPolarHBondContact O-CB 3.36Å; N483-D487 PolarHBondContact O-N 3.19Å; N483-K493 PolarHBondContact OD1-NZ 2.87Å
484T98.6Very high97.3Very high0 Ų028.5 Ų28.50%015%0.145CC..Hα-helixtrans-59.7-44.1175.4-54.80000111.5T18 N39 P86 D480 V481 V482 H486 A488T18-T484 HydrophobicContact CG2-CG2 4.2Å; N39-T484 WeakPolarHBondContact CB-OG1 3.28Å; N39-T484 PolarHBondContact N-OG1 3.03Å; P86-T484 HydrophobicContact CB-CG2 3.89Å; P86-T484 HydrophobicContact CG-CG2 3.48Å; P86-T484 VanDerWaalsContact CG-CG2 3.48Å; D480-T484 WeakPolarHBondContact O-CB 3.29Å; D480-T484 PolarHBondContact O-N 3.08Å; D480-T484 PolarHBondContact O-OG1 2.96Å; V481-T484 WeakPolarHBondContact O-CB 3.31Å; V481-T484 PolarHBondContact O-N 2.96Å; V482-T484 VanDerWaalsContact C-N 3.31Å; V482-T484 PolarHBondContact O-N 2.85Å; T484-H486 VanDerWaalsContact C-N 3.33Å; T484-H486 PolarHBondContact O-N 2.71Å; T484-A488 WeakPolarHBondContact O-CB 3.31Å; T484-A488 PolarHBondContact O-N 3.36Å
485C98.5Very high97.7Very high0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-64.8-36.1175.6-67.20000112.8P86 T426 C427 V481 V482 N483 G489 I490 S491P86-C485 VanDerWaalsContact CD-SG 3.53Å; P86-C485 VanDerWaalsContact CG-SG 3.59Å; T426-C485 PolarHBondContact OG1-SG 3.16Å; C427-C485 PolarHBondContact SG-SG 3.32Å; V481-C485 PolarHBondContact O-N 3.12Å; V481-C485 PolarHBondContact O-SG 3.29Å; V482-C485 PolarHBondContact O-N 3.21Å; N483-C485 VanDerWaalsContact C-N 3.34Å; N483-C485 PolarHBondContact O-N 3.02Å; C485-G489 PolarHBondContact O-N 2.58Å; C485-I490 HydrophobicContact CB-CD1 4.13Å; C485-I490 HydrophobicContact CB-CG1 3.95Å; C485-I490 VanDerWaalsContact O-CG1 3.29Å; C485-I490 WeakPolarHBondContact O-CG1 3.31Å; C485-I490 PolarHBondContact O-N 2.83Å; C485-S491 WeakPolarHBondContact CB-OG 3.5Å; C485-S491 PolarHBondContact O-N 3.38Å
486H98.6Very high98Very high69 Ų6928.7 Ų28.732%0.31915%0.147SC..Hα-helixtrans-67.1-48.9177.1-175.967.7000112.3V482 N483 T484 A488 G489 S491 K493V482-H486 WeakPolarHBondContact O-CB 3.38Å; V482-H486 PolarHBondContact O-N 2.95Å; N483-H486 WeakPolarHBondContact O-CB 3.19Å; N483-H486 PolarHBondContact O-N 3.26Å; N483-H486 VanDerWaalsContact O-N 3.12Å; T484-H486 VanDerWaalsContact C-N 3.33Å; T484-H486 PolarHBondContact O-N 2.71Å; H486-A488 VanDerWaalsContact C-N 3.33Å; H486-G489 WeakPolarHBondContact O-CA 3.41Å; H486-G489 PolarHBondContact O-N 3.19Å; H486-S491 VanDerWaalsContact CA-O 3.31Å; H486-S491 WeakPolarHBondContact CA-O 3.05Å; H486-K493 HydrophobicContact CB-CG 4.3Å; H486-K493 PolarHBondContact ND1-N 2.92Å
487D98.3Very high98.2Very high104 Ų10427.9 Ų27.956%0.55614%0.143SC*.Hα-helixtrans-71.4-31.1-177.3-62.6-15.8000111.4T18 N483 G489T18-D487 HydrophobicContact CG2-CB 3.91Å; N483-D487 WeakPolarHBondContact O-CB 3.36Å; N483-D487 PolarHBondContact O-N 3.19Å; D487-G489 PolarHBondContact O-N 2.92Å
488A97.9Very high98.3Very high6 Ų627.5 Ų27.55%0.0514%0.136CC..THydrogen-bonded Turntrans-70.5-10.7168.300000113Y37 Q417 T484 H486 I490Y37-A488 HydrophobicContact CD1-CB 3.77Å; Y37-A488 HydrophobicContact CE1-CB 4.02Å; Q417-A488 PolarHBondContact NE2-O 3.26Å; T484-A488 WeakPolarHBondContact O-CB 3.31Å; T484-A488 PolarHBondContact O-N 3.36Å; H486-A488 VanDerWaalsContact C-N 3.33Å; A488-I490 HydrophobicContact CB-CG1 4.33Å; A488-I490 HydrophobicContact CB-CG2 4.35Å; A488-I490 PolarHBondContact O-N 3.19Å
489G98.2Very high98.3Very high13 Ų1328 Ų2813%0.13414%0.138CC..THydrogen-bonded Turntrans742.8179.800000115T415 C485 H486 D487 S491T415-G489 WeakPolarHBondContact CB-O 3.5Å; T415-G489 PolarHBondContact OG1-O 2.93Å; C485-G489 PolarHBondContact O-N 2.58Å; H486-G489 WeakPolarHBondContact O-CA 3.41Å; H486-G489 PolarHBondContact O-N 3.19Å; D487-G489 PolarHBondContact O-N 2.92Å; G489-S491 VanDerWaalsContact C-N 3.31Å; G489-S491 PolarHBondContact O-N 3.49Å
490I98.2Very high98.3Very high0 Ų026.2 Ų26.20%013%0.128CC..SBendtrans-75-19.4-177.262172.4000113.2L85 T415 T422 C485 A488L85-I490 HydrophobicContact CD2-CD1 3.58Å; T415-I490 PolarHBondContact OG1-O 3.37Å; T422-I490 HydrophobicContact CG2-CG2 3.83Å; C485-I490 HydrophobicContact CB-CD1 4.13Å; C485-I490 HydrophobicContact CB-CG1 3.95Å; C485-I490 VanDerWaalsContact O-CG1 3.29Å; C485-I490 WeakPolarHBondContact O-CG1 3.31Å; C485-I490 PolarHBondContact O-N 2.83Å; A488-I490 HydrophobicContact CB-CG1 4.33Å; A488-I490 HydrophobicContact CB-CG2 4.35Å; A488-I490 PolarHBondContact O-N 3.19Å
491S98.5Very high98.3Very high1 Ų124.7 Ų24.71%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-155.7159.4170.853.90000110.4L412 T413 T426 C485 H486 G489L412-S491 WeakPolarHBondContact CD1-OG 3.5Å; T413-S491 CarbonylContact O-C 3.5Å; T413-S491 VanDerWaalsContact O-CA 3.31Å; T413-S491 WeakPolarHBondContact O-CA 3.03Å; T413-S491 WeakPolarHBondContact O-CB 3.36Å; T426-S491 PolarHBondContact OG1-OG 3.24Å; C485-S491 WeakPolarHBondContact CB-OG 3.5Å; C485-S491 PolarHBondContact O-N 3.38Å; H486-S491 VanDerWaalsContact CA-O 3.31Å; H486-S491 WeakPolarHBondContact CA-O 3.05Å; G489-S491 VanDerWaalsContact C-N 3.31Å; G489-S491 PolarHBondContact O-N 3.49Å
492K98.6Very high98.2Very high116 Ų11624.7 Ų24.750%0.50412%0.12SC..EExtended strand (participates in β ladder)trans-114.7137.6179.5-74.4178.6-179.2-178.10111.9L412 T413 T415 A494L412-K492 CarbonylContact C-O 3.59Å; L412-K492 WeakPolarHBondContact CA-O 3.5Å; L412-K492 VanDerWaalsContact CB-O 3.27Å; L412-K492 WeakPolarHBondContact CB-O 3.26Å; T413-K492 PolarHBondContact N-O 3.47Å; T413-K492 PolarHBondContact O-N 2.96Å; T415-K492 HydrophobicContact CG2-CB 4.42Å; T415-K492 HydrophobicContact CG2-CD 4.11Å; T415-K492 HydrophobicContact CG2-CG 3.74Å; K492-A494 PolarHBondContact O-N 2.88Å
493K98.7Very high98Very high38 Ų3824.8 Ų24.817%0.16512%0.12CC..EExtended strand (participates in β ladder)trans-63.2134.7172.6-67.1-174.5-70.2-1690110.2Y238 L412 V482 N483 H486Y238-K493 HydrophobicContact CD2-CB 3.58Å; Y238-K493 HydrophobicContact CD2-CD 4.33Å; Y238-K493 HydrophobicContact CD2-CG 4.48Å; Y238-K493 HydrophobicContact CE2-CB 4.15Å; Y238-K493 HydrophobicContact CE2-CD 4.09Å; Y238-K493 HydrophobicContact CG-CB 3.85Å; L412-K493 HydrophobicContact CD2-CB 4.4Å; L412-K493 HydrophobicContact CD2-CG 4.04Å; V482-K493 HydrophobicContact CG1-CD 3.84Å; V482-K493 HydrophobicContact CG1-CG 3.64Å; N483-K493 PolarHBondContact OD1-NZ 2.87Å; H486-K493 HydrophobicContact CB-CG 4.3Å; H486-K493 PolarHBondContact ND1-N 2.92Å
494A98.6Very high97.6Very high0 Ų023 Ų230%011%0.11CC..EExtended strand (participates in β ladder)trans-119.3-53.4173.600000111.4Y238 N239 A242 V411 T413 K492Y238-A494 PolarHBondContact N-O 3.28Å; N239-A494 HydrophobicContact CB-CB 4.43Å; N239-A494 PolarHBondContact N-O 3.31Å; A242-A494 HydrophobicContact CB-CB 4.22Å; V411-A494 WeakPolarHBondContact O-CA 3.38Å; V411-A494 WeakPolarHBondContact O-CB 3.26Å; V411-A494 PolarHBondContact O-N 3.16Å; T413-A494 HydrophobicContact CG2-CB 4.25Å; K492-A494 PolarHBondContact O-N 2.88Å
495I98.8Very high96.5Very high1 Ų123 Ų231%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-136.8142.6-176.2-56.5156.2000109.4V234 E236 A243 M246 I248 Y410 V411 L497V234-I495 HydrophobicContact CG1-CG2 3.96Å; V234-I495 HydrophobicContact CG2-CG2 4.25Å; E236-I495 WeakPolarHBondContact O-CA 3.29Å; A243-I495 HydrophobicContact CB-CD1 4.13Å; A243-I495 HydrophobicContact CB-CG1 3.95Å; M246-I495 HydrophobicContact SD-CD1 4.01Å; I248-I495 HydrophobicContact CB-CD1 4.07Å; I248-I495 HydrophobicContact CG1-CD1 3.84Å; I248-I495 HydrophobicContact CG2-CD1 4.31Å; Y410-I495 CarbonylContact C-O 2.95Å; Y410-I495 WeakPolarHBondContact CA-O 3.44Å; V411-I495 HydrophobicContact CB-CB 4.03Å; V411-I495 HydrophobicContact CB-CD1 4.22Å; V411-I495 HydrophobicContact CG2-CB 4.22Å; V411-I495 HydrophobicContact CG2-CD1 4.28Å; V411-I495 PolarHBondContact N-O 2.8Å; V411-I495 PolarHBondContact O-N 2.91Å; I495-L497 HydrophobicContact CG2-CD2 4.1Å; I495-L497 HydrophobicContact CG2-CG 4.18Å
496K98.8Very high96.4Very high33 Ų3324.2 Ų24.214%0.14312%0.117CC..EExtended strand (participates in β ladder)trans-110134.8165.1-175177.9167.3-144.70109.3D235 E236 Y238 C408 Y410D235-K496 HydrophobicContact CB-CG 4.39Å; D235-K496 PolarHBondContact N-O 3.26Å; D235-K496 WeakPolarHBondContact OD2-CE 3.08Å; D235-K496 IonicContact OD2-NZ 2.8Å; D235-K496 PolarHBondContact OD2-NZ 2.72Å; E236-K496 HydrophobicContact CB-CB 3.94Å; E236-K496 HydrophobicContact CB-CD 4.38Å; E236-K496 HydrophobicContact CG-CD 4.25Å; E236-K496 PolarHBondContact N-O 3.09Å; E236-K496 PolarHBondContact O-N 3.45Å; E236-K496 IonicContact OE1-NZ 3.18Å; E236-K496 PolarHBondContact OE1-NZ 2.66Å; Y238-K496 HydrophobicContact CE2-CB 3.85Å; Y238-K496 WeakPolarHBondContact OH-CD 3.37Å; C408-K496 HydrophobicContact CB-CG 4.05Å; Y410-K496 HydrophobicContact CD1-CB 3.96Å; Y410-K496 HydrophobicContact CD1-CG 4.13Å; Y410-K496 HydrophobicContact CE1-CB 3.75Å; Y410-K496 HydrophobicContact CE1-CD 3.84Å; Y410-K496 HydrophobicContact CE1-CG 3.62Å
497L98.7Very high96.2Very high1 Ų121.8 Ų21.81%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-118.6140.2-178.4-63.6163.3000108.6L126 Q232 V233 V234 C255 M257 C408 S409 V411 I495L126-L497 HydrophobicContact CD1-CD1 4.05Å; L126-L497 HydrophobicContact CD2-CD1 3.99Å; Q232-L497 HydrophobicContact CB-CB 4.07Å; Q232-L497 VanDerWaalsContact OE1-CB 3.32Å; Q232-L497 VanDerWaalsContact OE1-CD1 3.29Å; V233-L497 CarbonylContact O-C 3.55Å; V233-L497 VanDerWaalsContact O-CA 3.31Å; V233-L497 WeakPolarHBondContact O-CA 3.49Å; V234-L497 HydrophobicContact CB-CD2 4.48Å; V234-L497 HydrophobicContact CG2-CD2 3.76Å; C255-L497 HydrophobicContact CB-CD2 4.16Å; M257-L497 HydrophobicContact CE-CD1 3.98Å; C408-L497 CarbonylContact C-O 3.57Å; C408-L497 WeakPolarHBondContact CA-O 3.48Å; C408-L497 WeakPolarHBondContact CB-O 3.11Å; S409-L497 PolarHBondContact N-O 3.45Å; S409-L497 PolarHBondContact O-N 2.87Å; V411-L497 HydrophobicContact CG2-CD1 4.11Å; I495-L497 HydrophobicContact CG2-CD2 4.1Å; I495-L497 HydrophobicContact CG2-CG 4.18Å
498R97.6Very high96.1Very high78 Ų7817.3 Ų17.329%0.2948%0.081SC..EExtended strand (participates in β ladder)trans-114.5135.9169.667.4174.316981.5-2.6111.1E133 Q232 V233 D235 I500E133-R498 IonicContact OE1-CZ 2.63Å; E133-R498 VanDerWaalsContact OE1-CZ 3.27Å; E133-R498 IonicContact OE1-NH1 3.69Å; E133-R498 PolarHBondContact OE1-NH1 2.99Å; E133-R498 IonicContact OE1-NH2 3.85Å; E133-R498 PolarHBondContact OE1-NH2 2.92Å; E133-R498 IonicContact OE2-CZ 3.81Å; E133-R498 IonicContact OE2-NH1 3.8Å; E133-R498 IonicContact OE2-NH2 2.86Å; E133-R498 PolarHBondContact OE2-NH2 2.91Å; Q232-R498 CarbonylContact C-O 3.6Å; Q232-R498 WeakPolarHBondContact CA-O 3.41Å; V233-R498 HydrophobicContact CB-CG 4.25Å; V233-R498 PolarHBondContact N-O 3.34Å; V233-R498 PolarHBondContact O-N 3.48Å; D235-R498 HydrophobicContact CB-CB 4.44Å; D235-R498 HydrophobicContact CB-CG 4.3Å; D235-R498 IonicContact OD1-NE 2.94Å; R498-I500 VanDerWaalsContact NH1-CG2 3.31Å
499P97.7Very high96Very high11 Ų1117.9 Ų17.97%0.0718%0.083CC..EExtended strand (participates in β ladder)trans-69.5142.2176.929.2-34.2000110.8T407 I457 V502T407-P499 VanDerWaalsContact O-CD 3.25Å; T407-P499 WeakPolarHBondContact O-CD 3.26Å; T407-P499 WeakPolarHBondContact O-CG 3.21Å; I457-P499 HydrophobicContact CD1-CG 3.98Å; P499-V502 HydrophobicContact CB-CG2 4.21Å
500I98.1Very high95.9Very high2 Ų218.3 Ų18.31%0.018%0.08CC..EExtended strand (participates in β ladder)trans-120.3-23.2168.159.2165.9000111.5V136 K140 I231 V233 I457 A458 R498V136-I500 HydrophobicContact CB-CD1 4.25Å; V136-I500 HydrophobicContact CG1-CD1 3.69Å; K140-I500 HydrophobicContact CD-CB 4.26Å; K140-I500 WeakPolarHBondContact CD-O 3.4Å; I231-I500 HydrophobicContact CB-CG1 4.18Å; I231-I500 HydrophobicContact CG2-CD1 3.97Å; I231-I500 HydrophobicContact CG2-CG1 3.95Å; I231-I500 WeakPolarHBondContact O-CG1 3.37Å; I231-I500 PolarHBondContact O-N 3.48Å; V233-I500 HydrophobicContact CG2-CD1 3.8Å; V233-I500 HydrophobicContact CG2-CG1 4.16Å; V233-I500 HydrophobicContact CG2-CG2 3.73Å; I457-I500 WeakPolarHBondContact CA-O 3.48Å; A458-I500 PolarHBondContact N-O 2.83Å; R498-I500 VanDerWaalsContact NH1-CG2 3.31Å
501A97.7Very high95.7Very high2 Ų219.5 Ų19.52%0.0179%0.085CC..EExtended strand (participates in β ladder)trans-146.3142170.700000111.5K140 A144 E230 I231 A458K140-A501 HydrophobicContact CG-CB 4.32Å; A144-A501 HydrophobicContact CB-CB 3.98Å; E230-A501 CarbonylContact C-O 3.37Å; E230-A501 VanDerWaalsContact CA-O 3.3Å; E230-A501 WeakPolarHBondContact CA-O 3.47Å; I231-A501 HydrophobicContact CB-CB 4.08Å; I231-A501 HydrophobicContact CD1-CB 4.01Å; I231-A501 HydrophobicContact CG1-CB 4.15Å; I231-A501 PolarHBondContact N-O 2.84Å; I231-A501 PolarHBondContact O-N 3.41Å; A458-A501 HydrophobicContact CB-CB 3.96Å; A458-A501 CarbonylContact O-C 3.56Å; A458-A501 WeakPolarHBondContact O-CA 3.05Å
502V95.9Very high95.5Very high0 Ų020.8 Ų20.80%09%0.091CC..EExtended strand (participates in β ladder)trans-131.5128.1-178.1-176.90000109.9E230 M405 I457 A458 I459 R460 P499E230-V502 HydrophobicContact CG-CB 4Å; E230-V502 HydrophobicContact CG-CG1 3.77Å; E230-V502 HydrophobicContact CG-CG2 3.61Å; M405-V502 HydrophobicContact CB-CB 4.49Å; M405-V502 HydrophobicContact CB-CG1 3.99Å; M405-V502 HydrophobicContact CB-CG2 4.21Å; M405-V502 WeakPolarHBondContact O-CG2 3.42Å; I457-V502 HydrophobicContact CG2-CG2 3.89Å; A458-V502 PolarHBondContact O-N 3.16Å; I459-V502 CarbonylContact C-O 3.45Å; I459-V502 WeakPolarHBondContact CA-O 3.25Å; R460-V502 PolarHBondContact N-O 3.13Å; P499-V502 HydrophobicContact CB-CG2 4.21Å
503I94.4Very high95.3Very high2 Ų213.5 Ų13.51%0.016%0.059CC..EExtended strand (participates in β ladder)trans-106.2134.3163.269.5157.7000109.8A144 L147 F148 I151 V153 L222 Y228 A229 R460A144-I503 WeakPolarHBondContact O-CG2 3.19Å; L147-I503 HydrophobicContact CB-CD1 4.09Å; L147-I503 HydrophobicContact CB-CG2 4.05Å; F148-I503 HydrophobicContact CB-CG2 4.08Å; F148-I503 HydrophobicContact CD2-CB 4.36Å; I151-I503 HydrophobicContact CB-CD1 4Å; I151-I503 HydrophobicContact CD1-CD1 4Å; I151-I503 HydrophobicContact CG2-CD1 4.29Å; V153-I503 HydrophobicContact CG1-CD1 4.25Å; L222-I503 HydrophobicContact CD2-CG1 4.43Å; Y228-I503 VanDerWaalsContact CA-O 3.28Å; Y228-I503 WeakPolarHBondContact CA-O 3.46Å; A229-I503 HydrophobicContact CB-CD1 3.94Å; A229-I503 HydrophobicContact CB-CG1 3.63Å; A229-I503 PolarHBondContact N-O 3.25Å; A229-I503 WeakPolarHBondContact O-CG1 3.42Å; A229-I503 PolarHBondContact O-N 3.32Å; R460-I503 HydrophobicContact CB-CG2 4.11Å; R460-I503 HydrophobicContact CG-CG2 4.46Å; R460-I503 CarbonylContact O-C 3.53Å; R460-I503 WeakPolarHBondContact O-CA 3.25Å
504K89.7Confident95Very high5 Ų511.4 Ų11.42%0.0225%0.05CC..EExtended strand (participates in β ladder)trans-139.7143.5-177.3-138.3173.766.461.60110.8G225 H227 M405 R460 V461 A462 L466 E470G225-K504 PolarHBondContact O-NZ 2.7Å; H227-K504 VanDerWaalsContact O-CG 3.24Å; H227-K504 WeakPolarHBondContact O-CG 3.48Å; M405-K504 HydrophobicContact CE-CD 4.46Å; R460-K504 PolarHBondContact O-N 3.45Å; V461-K504 WeakPolarHBondContact CA-O 3.34Å; V461-K504 HydrophobicContact CG1-CB 4.11Å; A462-K504 PolarHBondContact N-O 3.06Å; L466-K504 PolarHBondContact O-NZ 3.15Å; E470-K504 HydrophobicContact CB-CD 4.45Å
505G74.4Confident94.7Very high2 Ų212.5 Ų12.52%0.0215%0.054CC..  trans-95.70171.800000114.8G154 G223 L466G154-G505 VanDerWaalsContact CA-OXT 3.23Å; G154-G505 WeakPolarHBondContact CA-OXT 3.5Å; G223-G505 WeakPolarHBondContact O-CA 3.41Å; L466-G505 VanDerWaalsContact CD1-C 3.43Å; L466-G505 WeakPolarHBondContact CD1-O 3.18Å; L466-G505 WeakPolarHBondContact CD1-OXT 3.4Å

Retrieved 505 of 505 residues in 220.6 ms (Link to these results)

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