A0A077Z6G9_TRITR Loading...

BMP binding endothelial regulator protein

AlphaFold DB , UniProt , Accession A0A077Z6G9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 388 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.6Low87.9Confident214 Ų214108.4 Ų108.4100%1.05451%0.506SS*.  0128.30-78.6175.3166.600108.3
2R81.7Confident88.4Confident154 Ų154107.4 Ų107.458%0.58150%0.502SS*.  trans-79.6122.6172.6-73.7-179.1176.6173.9-8.8108.1E29R2-E29 IonicContact CZ-OE1 3.38Å; R2-E29 IonicContact NH1-OE1 2.74Å; R2-E29 PolarHBondContact NH1-OE1 2.78Å; R2-E29 IonicContact NH1-OE2 2.86Å; R2-E29 PolarHBondContact NH1-OE2 3.34Å
3I90Very high88.7Confident90 Ų90104.1 Ų104.146%0.46249%0.489SS..EExtended strand (participates in β ladder)trans-129.9152.6-178.855.6169.6000108.9I10 Y11I3-I10 HydrophobicContact CB-CG2 3.83Å; I3-I10 HydrophobicContact CD1-CG2 3.75Å; I3-I10 HydrophobicContact CG1-CG2 4.34Å; I3-I10 HydrophobicContact CG2-CG2 4Å; I3-Y11 WeakPolarHBondContact CA-O 3.44Å
4C92.5Very high88.8Confident6 Ų6108.4 Ų108.44%0.04151%0.509CS..EExtended strand (participates in β ladder)trans-106.3140.4169.8-56.80000110.4I10 Y11 C27 V32C4-I10 CarbonylContact O-C 3.6Å; C4-I10 WeakPolarHBondContact O-CA 3.18Å; C4-Y11 PolarHBondContact N-O 3.18Å; C4-Y11 PolarHBondContact O-N 3.21Å; C4-C27 HydrophobicContact CB-CB 3.72Å; C4-C27 WeakPolarHBondContact CB-SG 3.49Å; C4-C27 PolarHBondContact N-SG 3.01Å; C4-C27 VanDerWaalsContact N-SG 3.41Å; C4-C27 WeakPolarHBondContact SG-CA 3.35Å; C4-C27 WeakPolarHBondContact SG-CB 3.44Å; C4-C27 CovalentContact SG-SG 2.03Å; C4-C27 PolarHBondContact SG-SG 2.83Å; C4-V32 HydrophobicContact CB-CG2 3.55Å
5F92Very high89.2Confident137 Ų137106.6 Ų106.660%0.60150%0.5SS*.EExtended strand (participates in β ladder)trans-106122.6172.6-166.4-99.1000109.7N8 K9 I10F5-N8 HydrophobicContact CZ-CB 4.47Å; F5-K9 WeakPolarHBondContact CA-O 3.41Å; F5-I10 HydrophobicContact CD2-CG1 4Å; F5-I10 HydrophobicContact CE2-CG1 4.37Å
6F91.9Very high89.4Confident49 Ų49104.9 Ų104.922%0.21550%0.504CS..EExtended strand (participates in β ladder)trans-143123.3177.7-169.2-89.4000110.7N8 K9 Y11 F17 P19 V32F6-N8 PolarHBondContact O-N 3.41Å; F6-K9 PolarHBondContact N-O 2.66Å; F6-K9 PolarHBondContact O-N 2.88Å; F6-Y11 HydrophobicContact CB-CD2 4.08Å; F6-Y11 HydrophobicContact CB-CE2 3.76Å; F6-F17 HydrophobicContact CB-CE2 4.08Å; F6-F17 HydrophobicContact CB-CZ 3.76Å; F6-F17 AromaticContact CD1-CE2 3.46Å; F6-F17 HydrophobicContact CD1-CE2 3.46Å; F6-F17 VanDerWaalsContact CD1-CE2 3.46Å; F6-F17 AromaticContact CD1-CZ 4Å; F6-F17 HydrophobicContact CD1-CZ 4Å; F6-F17 HydrophobicContact CD2-CE2 4.45Å; F6-F17 HydrophobicContact CD2-CZ 4.3Å; F6-F17 AromaticContact CE1-CE2 3.95Å; F6-F17 HydrophobicContact CE1-CE2 3.95Å; F6-F17 AromaticContact CG-CE2 3.74Å; F6-F17 HydrophobicContact CG-CE2 3.74Å; F6-F17 AromaticContact CG-CZ 3.76Å; F6-F17 HydrophobicContact CG-CZ 3.76Å; F6-P19 HydrophobicContact CE1-CB 3.67Å; F6-P19 HydrophobicContact CE1-CG 3.89Å; F6-P19 HydrophobicContact CZ-CB 4.37Å; F6-P19 HydrophobicContact CZ-CG 4.17Å; F6-V32 HydrophobicContact CB-CG2 4.07Å; F6-V32 HydrophobicContact CD2-CB 4.19Å; F6-V32 HydrophobicContact CD2-CG1 3.79Å; F6-V32 HydrophobicContact CD2-CG2 4.15Å; F6-V32 HydrophobicContact CE2-CG1 4.25Å; F6-V32 HydrophobicContact CG-CG1 4.43Å
7Q88.9Confident89.7Confident134 Ų13499.8 Ų99.863%0.62648%0.479SS*.THydrogen-bonded Turntrans46.654.1179-67.5-179.2-23.800113.5K9Q7-K9 PolarHBondContact O-N 2.92Å
8N90.6Very high89.8Confident144 Ų144103.7 Ų103.777%0.7749%0.488SS*.THydrogen-bonded Turntrans6120.3-179.6-61.4-11.6000115.4F5 F6F5-N8 HydrophobicContact CZ-CB 4.47Å; F6-N8 PolarHBondContact O-N 3.41Å
9K91.9Very high90Very high135 Ų135100.6 Ų100.659%0.58748%0.478SS*.EExtended strand (participates in β ladder)trans-122.8146.1173.2-67.3-178.4179.5179.40110.7F5 F6 Q7 Y11F5-K9 WeakPolarHBondContact CA-O 3.41Å; F6-K9 PolarHBondContact N-O 2.66Å; F6-K9 PolarHBondContact O-N 2.88Å; Q7-K9 PolarHBondContact O-N 2.92Å; K9-Y11 HydrophobicContact CB-CD2 4.48Å; K9-Y11 HydrophobicContact CB-CE2 3.63Å
10I92.5Very high90.1Very high104 Ų10498.5 Ų98.553%0.53347%0.469SS..EExtended strand (participates in β ladder)trans-99.6131.4176.9-60.6171.1000108.3I3 C4 F5I3-I10 HydrophobicContact CB-CG2 3.83Å; I3-I10 HydrophobicContact CD1-CG2 3.75Å; I3-I10 HydrophobicContact CG1-CG2 4.34Å; I3-I10 HydrophobicContact CG2-CG2 4Å; C4-I10 CarbonylContact O-C 3.6Å; C4-I10 WeakPolarHBondContact O-CA 3.18Å; F5-I10 HydrophobicContact CD2-CG1 4Å; F5-I10 HydrophobicContact CE2-CG1 4.37Å
11Y92.8Very high90.1Very high25 Ų2596.8 Ų96.810%0.09847%0.467CS..EExtended strand (participates in β ladder)trans-119.7139.2177.7-61-88.4000110I3 C4 F6 K9 Q15 F17I3-Y11 WeakPolarHBondContact CA-O 3.44Å; C4-Y11 PolarHBondContact N-O 3.18Å; C4-Y11 PolarHBondContact O-N 3.21Å; F6-Y11 HydrophobicContact CB-CD2 4.08Å; F6-Y11 HydrophobicContact CB-CE2 3.76Å; K9-Y11 HydrophobicContact CB-CD2 4.48Å; K9-Y11 HydrophobicContact CB-CE2 3.63Å; Y11-Q15 VanDerWaalsContact CA-OE1 3.29Å; Y11-Q15 HydrophobicContact CD1-CG 4.27Å; Y11-F17 HydrophobicContact CD1-CB 3.99Å; Y11-F17 AromaticContact CD1-CD1 3.29Å; Y11-F17 HydrophobicContact CD1-CD1 3.29Å; Y11-F17 HydrophobicContact CD1-CD2 4.45Å; Y11-F17 AromaticContact CD1-CE1 3.77Å; Y11-F17 HydrophobicContact CD1-CE1 3.77Å; Y11-F17 AromaticContact CD1-CG 3.68Å; Y11-F17 HydrophobicContact CD1-CG 3.68Å; Y11-F17 HydrophobicContact CD2-CD1 4.14Å; Y11-F17 AromaticContact CD2-CE1 3.75Å; Y11-F17 HydrophobicContact CD2-CE1 3.75Å; Y11-F17 HydrophobicContact CD2-CE2 4.49Å; Y11-F17 AromaticContact CD2-CZ 3.93Å; Y11-F17 HydrophobicContact CD2-CZ 3.93Å; Y11-F17 HydrophobicContact CE1-CB 3.44Å; Y11-F17 VanDerWaalsContact CE1-CB 3.44Å; Y11-F17 AromaticContact CE1-CD1 3.44Å; Y11-F17 HydrophobicContact CE1-CD1 3.44Å; Y11-F17 VanDerWaalsContact CE1-CD1 3.44Å; Y11-F17 AromaticContact CE1-CD2 3.77Å; Y11-F17 HydrophobicContact CE1-CD2 3.77Å; Y11-F17 HydrophobicContact CE1-CE1 4.04Å; Y11-F17 HydrophobicContact CE1-CE2 4.34Å; Y11-F17 AromaticContact CE1-CG 3.26Å; Y11-F17 HydrophobicContact CE1-CG 3.26Å; Y11-F17 HydrophobicContact CE1-CZ 4.43Å; Y11-F17 HydrophobicContact CE2-CD1 4.25Å; Y11-F17 HydrophobicContact CE2-CD2 4.18Å; Y11-F17 HydrophobicContact CE2-CE1 4.02Å; Y11-F17 AromaticContact CE2-CE2 3.95Å; Y11-F17 HydrophobicContact CE2-CE2 3.95Å; Y11-F17 HydrophobicContact CE2-CG 4.32Å; Y11-F17 AromaticContact CE2-CZ 3.84Å; Y11-F17 HydrophobicContact CE2-CZ 3.84Å; Y11-F17 AromaticContact CG-CD1 3.66Å; Y11-F17 HydrophobicContact CG-CD1 3.66Å; Y11-F17 AromaticContact CG-CE1 3.61Å; Y11-F17 HydrophobicContact CG-CE1 3.61Å; Y11-F17 HydrophobicContact CG-CG 4.34Å; Y11-F17 HydrophobicContact CG-CZ 4.26Å; Y11-F17 AromaticContact CZ-CD1 3.91Å; Y11-F17 AromaticContact CZ-CD2 3.59Å; Y11-F17 AromaticContact CZ-CE2 3.84Å; Y11-F17 AromaticContact CZ-CG 3.61Å
12Q93Very high91.5Very high97 Ų9787.6 Ų87.645%0.45342%0.423SS..EExtended strand (participates in β ladder)trans-75.2155.5175-62.8-61.3-2900110.5E14 Q15 C27Q12-E14 PolarHBondContact O-N 2.05Å; Q12-Q15 HydrophobicContact CB-CB 4.45Å; Q12-Q15 WeakPolarHBondContact O-CB 3.11Å; Q12-Q15 PolarHBondContact O-N 2.03Å; Q12-C27 WeakPolarHBondContact O-CB 3.29Å; Q12-C27 PolarHBondContact O-SG 3.34Å; Q12-C27 VanDerWaalsContact O-SG 3.38Å
13L92.3Very high92.1Very high64 Ų6481 Ų8134%0.33540%0.399SS..THydrogen-bonded Turntrans-52.8139172.4-166.668.1000110.4Q15 Q28 E29L13-Q15 PolarHBondContact O-N 3.38Å; L13-Q28 VanDerWaalsContact CD1-C 3.44Å; L13-E29 HydrophobicContact CD1-CB 4.47Å; L13-E29 HydrophobicContact CD1-CG 3.84Å; L13-E29 HydrophobicContact CD2-CG 4.18Å
14E91.2Very high92.3Very high165 Ų16579.4 Ų79.477%0.77139%0.392SS*.THydrogen-bonded Turntrans67.9-0.8-174.6-49.6-171.8153.700115.9Q12 S16 L26 C27Q12-E14 PolarHBondContact O-N 2.05Å; E14-S16 PolarHBondContact O-N 3.01Å; E14-L26 WeakPolarHBondContact O-CD1 3.28Å; E14-C27 WeakPolarHBondContact CA-O 3.34Å; E14-C27 PolarHBondContact N-O 2.9Å
15Q93.5Very high92.5Very high81 Ų8179.1 Ų79.138%0.37939%0.39SS..  trans-70.8125.7175.9-169.4177.3-0.300110.9Y11 Q12 L13 C27Y11-Q15 VanDerWaalsContact CA-OE1 3.29Å; Y11-Q15 HydrophobicContact CD1-CG 4.27Å; Q12-Q15 HydrophobicContact CB-CB 4.45Å; Q12-Q15 WeakPolarHBondContact O-CB 3.11Å; Q12-Q15 PolarHBondContact O-N 2.03Å; L13-Q15 PolarHBondContact O-N 3.38Å; Q15-C27 PolarHBondContact O-N 2.83Å
16S93.3Very high92.6Very high80 Ų8075.6 Ų75.656%0.55938%0.377SS*.EExtended strand (participates in β ladder)trans-94.5143.3170.369.40000111.4E14 C25E14-S16 PolarHBondContact O-N 3.01Å; S16-C25 CarbonylContact C-O 3.55Å; S16-C25 VanDerWaalsContact CA-O 3.27Å; S16-C25 WeakPolarHBondContact CA-O 3.1Å
17F94.1Very high92.8Very high18 Ų1873.3 Ų73.38%0.07937%0.367CS..EExtended strand (participates in β ladder)trans-151159.4179.362.2-87.3000111.5F6 Y11 C25 V32F6-F17 HydrophobicContact CB-CE2 4.08Å; F6-F17 HydrophobicContact CB-CZ 3.76Å; F6-F17 AromaticContact CD1-CE2 3.46Å; F6-F17 HydrophobicContact CD1-CE2 3.46Å; F6-F17 VanDerWaalsContact CD1-CE2 3.46Å; F6-F17 AromaticContact CD1-CZ 4Å; F6-F17 HydrophobicContact CD1-CZ 4Å; F6-F17 HydrophobicContact CD2-CE2 4.45Å; F6-F17 HydrophobicContact CD2-CZ 4.3Å; F6-F17 AromaticContact CE1-CE2 3.95Å; F6-F17 HydrophobicContact CE1-CE2 3.95Å; F6-F17 AromaticContact CG-CE2 3.74Å; F6-F17 HydrophobicContact CG-CE2 3.74Å; F6-F17 AromaticContact CG-CZ 3.76Å; F6-F17 HydrophobicContact CG-CZ 3.76Å; Y11-F17 HydrophobicContact CD1-CB 3.99Å; Y11-F17 AromaticContact CD1-CD1 3.29Å; Y11-F17 HydrophobicContact CD1-CD1 3.29Å; Y11-F17 HydrophobicContact CD1-CD2 4.45Å; Y11-F17 AromaticContact CD1-CE1 3.77Å; Y11-F17 HydrophobicContact CD1-CE1 3.77Å; Y11-F17 AromaticContact CD1-CG 3.68Å; Y11-F17 HydrophobicContact CD1-CG 3.68Å; Y11-F17 HydrophobicContact CD2-CD1 4.14Å; Y11-F17 AromaticContact CD2-CE1 3.75Å; Y11-F17 HydrophobicContact CD2-CE1 3.75Å; Y11-F17 HydrophobicContact CD2-CE2 4.49Å; Y11-F17 AromaticContact CD2-CZ 3.93Å; Y11-F17 HydrophobicContact CD2-CZ 3.93Å; Y11-F17 HydrophobicContact CE1-CB 3.44Å; Y11-F17 VanDerWaalsContact CE1-CB 3.44Å; Y11-F17 AromaticContact CE1-CD1 3.44Å; Y11-F17 HydrophobicContact CE1-CD1 3.44Å; Y11-F17 VanDerWaalsContact CE1-CD1 3.44Å; Y11-F17 AromaticContact CE1-CD2 3.77Å; Y11-F17 HydrophobicContact CE1-CD2 3.77Å; Y11-F17 HydrophobicContact CE1-CE1 4.04Å; Y11-F17 HydrophobicContact CE1-CE2 4.34Å; Y11-F17 AromaticContact CE1-CG 3.26Å; Y11-F17 HydrophobicContact CE1-CG 3.26Å; Y11-F17 HydrophobicContact CE1-CZ 4.43Å; Y11-F17 HydrophobicContact CE2-CD1 4.25Å; Y11-F17 HydrophobicContact CE2-CD2 4.18Å; Y11-F17 HydrophobicContact CE2-CE1 4.02Å; Y11-F17 AromaticContact CE2-CE2 3.95Å; Y11-F17 HydrophobicContact CE2-CE2 3.95Å; Y11-F17 HydrophobicContact CE2-CG 4.32Å; Y11-F17 AromaticContact CE2-CZ 3.84Å; Y11-F17 HydrophobicContact CE2-CZ 3.84Å; Y11-F17 AromaticContact CG-CD1 3.66Å; Y11-F17 HydrophobicContact CG-CD1 3.66Å; Y11-F17 AromaticContact CG-CE1 3.61Å; Y11-F17 HydrophobicContact CG-CE1 3.61Å; Y11-F17 HydrophobicContact CG-CG 4.34Å; Y11-F17 HydrophobicContact CG-CZ 4.26Å; Y11-F17 AromaticContact CZ-CD1 3.91Å; Y11-F17 AromaticContact CZ-CD2 3.59Å; Y11-F17 AromaticContact CZ-CE2 3.84Å; Y11-F17 AromaticContact CZ-CG 3.61Å; F17-C25 HydrophobicContact CD1-CB 4.15Å; F17-C25 HydrophobicContact CD2-CB 3.87Å; F17-C25 HydrophobicContact CE1-CB 3.76Å; F17-C25 HydrophobicContact CE2-CB 3.43Å; F17-C25 VanDerWaalsContact CE2-CB 3.43Å; F17-C25 HydrophobicContact CG-CB 4.21Å; F17-C25 HydrophobicContact CZ-CB 3.39Å; F17-C25 PolarHBondContact N-O 3.45Å; F17-C25 PolarHBondContact O-N 2.94Å; F17-V32 HydrophobicContact CE1-CG1 4.14Å; F17-V32 HydrophobicContact CZ-CG1 3.58Å; F17-V32 HydrophobicContact CZ-CG2 4.41Å
18R92Very high92.9Very high170 Ų17070.4 Ų70.464%0.64235%0.354SS*.EExtended strand (participates in β ladder)trans-122.2107.9178.2-68-164171.5106.5-0.7110.3D20 T23 L24R18-D20 VanDerWaalsContact C-N 3.29Å; R18-T23 WeakPolarHBondContact CA-O 3.04Å; R18-T23 WeakPolarHBondContact CB-O 3.2Å; R18-T23 WeakPolarHBondContact CG-O 3.33Å; R18-L24 HydrophobicContact CG-CD1 3.92Å
19P92.4Very high92.8Very high45 Ų4569.8 Ų69.829%0.29235%0.346SS..EExtended strand (participates in β ladder)trans-73.4-24.1175.429.1-33.6000112.7F6 T23F6-P19 HydrophobicContact CE1-CB 3.67Å; F6-P19 HydrophobicContact CE1-CG 3.89Å; F6-P19 HydrophobicContact CZ-CB 4.37Å; F6-P19 HydrophobicContact CZ-CG 4.17Å; P19-T23 HydrophobicContact CG-CG2 3.93Å
20D92Very high92.6Very high58 Ų5869.8 Ų69.831%0.3136%0.357SS..EExtended strand (participates in β ladder)trans-148.1164.2172.769.378.7000109.7R18 C22 T23R18-D20 VanDerWaalsContact C-N 3.29Å; D20-C22 PolarHBondContact O-N 3.02Å; D20-C22 VanDerWaalsContact OD1-CA 3.28Å; D20-C22 WeakPolarHBondContact OD1-CA 3.39Å; D20-C22 VanDerWaalsContact OD1-CB 3.31Å; D20-C22 WeakPolarHBondContact OD1-CB 3.43Å; D20-C22 PolarHBondContact OD1-N 3.12Å; D20-T23 VanDerWaalsContact CG-OG1 3.28Å; D20-T23 PolarHBondContact O-N 2.85Å; D20-T23 VanDerWaalsContact O-N 3.15Å; D20-T23 PolarHBondContact OD1-N 3.34Å; D20-T23 VanDerWaalsContact OD1-N 3.13Å; D20-T23 PolarHBondContact OD1-OG1 3.02Å; D20-T23 WeakPolarHBondContact OD2-CB 2.97Å; D20-T23 PolarHBondContact OD2-OG1 3.19Å
21P90.5Very high92.6Very high63 Ų6366.1 Ų66.141%0.40935%0.346SS..THydrogen-bonded Turntrans-56.9-23.9-177.9-28.437.2000115.3L55 C56P21-L55 VanDerWaalsContact CB-C 3.49Å; P21-L55 WeakPolarHBondContact CB-O 3Å; P21-C56 WeakPolarHBondContact O-CB 3.42Å
22C93.2Very high92.7Very high21 Ų2167.1 Ų67.114%0.14235%0.354CS..THydrogen-bonded Turntrans-99-1.1-178.3-70.30000114.7D20 R36 F37 C56D20-C22 PolarHBondContact O-N 3.02Å; D20-C22 VanDerWaalsContact OD1-CA 3.28Å; D20-C22 WeakPolarHBondContact OD1-CA 3.39Å; D20-C22 VanDerWaalsContact OD1-CB 3.31Å; D20-C22 WeakPolarHBondContact OD1-CB 3.43Å; D20-C22 PolarHBondContact OD1-N 3.12Å; C22-R36 CarbonylContact O-C 3.6Å; C22-R36 WeakPolarHBondContact O-CA 3.27Å; C22-F37 WeakPolarHBondContact O-CD2 3.06Å; C22-F37 PolarHBondContact O-N 2.86Å; C22-C56 WeakPolarHBondContact CA-SG 3.36Å; C22-C56 HydrophobicContact CB-CB 3.92Å; C22-C56 WeakPolarHBondContact CB-SG 3.37Å; C22-C56 VanDerWaalsContact SG-C 3.52Å; C22-C56 WeakPolarHBondContact SG-CA 3.27Å; C22-C56 WeakPolarHBondContact SG-CB 3.25Å; C22-C56 PolarHBondContact SG-O 2.85Å; C22-C56 CovalentContact SG-SG 2.03Å; C22-C56 PolarHBondContact SG-SG 3.13Å
23T94.5Very high92.7Very high14 Ų1467.3 Ų67.39%0.08636%0.358CS..EExtended strand (participates in β ladder)trans-123.6127.4-175.6-54.60000110.1R18 P19 D20 C34R18-T23 WeakPolarHBondContact CA-O 3.04Å; R18-T23 WeakPolarHBondContact CB-O 3.2Å; R18-T23 WeakPolarHBondContact CG-O 3.33Å; P19-T23 HydrophobicContact CG-CG2 3.93Å; D20-T23 VanDerWaalsContact CG-OG1 3.28Å; D20-T23 PolarHBondContact O-N 2.85Å; D20-T23 VanDerWaalsContact O-N 3.15Å; D20-T23 PolarHBondContact OD1-N 3.34Å; D20-T23 VanDerWaalsContact OD1-N 3.13Å; D20-T23 PolarHBondContact OD1-OG1 3.02Å; D20-T23 WeakPolarHBondContact OD2-CB 2.97Å; D20-T23 PolarHBondContact OD2-OG1 3.19Å; T23-C34 HydrophobicContact CG2-CB 3.97Å
24L93.5Very high92.9Very high58 Ų5866.8 Ų66.830%0.30436%0.359SS..EExtended strand (participates in β ladder)trans-112.7121.8170.5179.766.6000108.8R18 C34 R35 F37R18-L24 HydrophobicContact CG-CD1 3.92Å; L24-C34 CarbonylContact O-C 3.57Å; L24-C34 WeakPolarHBondContact O-CA 3.38Å; L24-R35 PolarHBondContact N-O 2.99Å; L24-R35 PolarHBondContact O-N 3.06Å; L24-F37 HydrophobicContact CB-CE2 3.89Å
25C96.3Very high93.1Very high0 Ų067.5 Ų67.50%035%0.354CS..EExtended strand (participates in β ladder)trans-112.8148.1177.9-58.80000110.7S16 F17 V32 L33 C34S16-C25 CarbonylContact C-O 3.55Å; S16-C25 VanDerWaalsContact CA-O 3.27Å; S16-C25 WeakPolarHBondContact CA-O 3.1Å; F17-C25 HydrophobicContact CD1-CB 4.15Å; F17-C25 HydrophobicContact CD2-CB 3.87Å; F17-C25 HydrophobicContact CE1-CB 3.76Å; F17-C25 HydrophobicContact CE2-CB 3.43Å; F17-C25 VanDerWaalsContact CE2-CB 3.43Å; F17-C25 HydrophobicContact CG-CB 4.21Å; F17-C25 HydrophobicContact CZ-CB 3.39Å; F17-C25 PolarHBondContact N-O 3.45Å; F17-C25 PolarHBondContact O-N 2.94Å; C25-V32 HydrophobicContact CB-CG1 3.84Å; C25-L33 CarbonylContact C-O 3.58Å; C25-L33 VanDerWaalsContact CA-O 3.29Å; C25-L33 WeakPolarHBondContact CA-O 3.38Å; C25-C34 HydrophobicContact CB-CB 4.13Å; C25-C34 WeakPolarHBondContact CB-SG 3.31Å; C25-C34 WeakPolarHBondContact SG-CB 2.99Å; C25-C34 CovalentContact SG-SG 2.05Å; C25-C34 PolarHBondContact SG-SG 2.8Å
26L95.2Very high93.1Very high63 Ų6372.6 Ų72.633%0.3337%0.37SS..EExtended strand (participates in β ladder)trans-129131176-179.766.8000108.9E14 Q28 L33E14-L26 WeakPolarHBondContact O-CD1 3.28Å; L26-Q28 HydrophobicContact CD2-CG 3.94Å; L26-Q28 HydrophobicContact CG-CG 4.03Å; L26-Q28 PolarHBondContact O-N 2.03Å; L26-L33 PolarHBondContact N-O 3.15Å; L26-L33 PolarHBondContact O-N 2.84Å
27C94.4Very high93Very high1 Ų172.8 Ų72.81%0.00736%0.361CS..EExtended strand (participates in β ladder)trans-78.9116170.3178.40000110.3C4 Q12 E14 Q15C4-C27 HydrophobicContact CB-CB 3.72Å; C4-C27 WeakPolarHBondContact CB-SG 3.49Å; C4-C27 PolarHBondContact N-SG 3.01Å; C4-C27 VanDerWaalsContact N-SG 3.41Å; C4-C27 WeakPolarHBondContact SG-CA 3.35Å; C4-C27 WeakPolarHBondContact SG-CB 3.44Å; C4-C27 CovalentContact SG-SG 2.03Å; C4-C27 PolarHBondContact SG-SG 2.83Å; Q12-C27 WeakPolarHBondContact O-CB 3.29Å; Q12-C27 PolarHBondContact O-SG 3.34Å; Q12-C27 VanDerWaalsContact O-SG 3.38Å; E14-C27 WeakPolarHBondContact CA-O 3.34Å; E14-C27 PolarHBondContact N-O 2.9Å; Q15-C27 PolarHBondContact O-N 2.83Å
28Q92Very high92.8Very high73 Ų7378.5 Ų78.534%0.34140%0.397SS..EExtended strand (participates in β ladder)trans-116.3169.8177.5-62.3-173.1-53.400110.2L13 L26 T30 G31 L33L13-Q28 VanDerWaalsContact CD1-C 3.44Å; L26-Q28 HydrophobicContact CD2-CG 3.94Å; L26-Q28 HydrophobicContact CG-CG 4.03Å; L26-Q28 PolarHBondContact O-N 2.03Å; Q28-T30 PolarHBondContact O-N 3.13Å; Q28-T30 VanDerWaalsContact O-N 3.12Å; Q28-G31 PolarHBondContact N-O 2.8Å; Q28-G31 PolarHBondContact O-N 2.93Å; Q28-L33 VanDerWaalsContact OE1-CD2 3.3Å
29E89Confident92.6Very high131 Ų13172.4 Ų72.461%0.61238%0.38SS*.THydrogen-bonded Turntrans-60.3-25.9180-58.3-160.7135.200113.1R2 L13R2-E29 IonicContact CZ-OE1 3.38Å; R2-E29 IonicContact NH1-OE1 2.74Å; R2-E29 PolarHBondContact NH1-OE1 2.78Å; R2-E29 IonicContact NH1-OE2 2.86Å; R2-E29 PolarHBondContact NH1-OE2 3.34Å; L13-E29 HydrophobicContact CD1-CB 4.47Å; L13-E29 HydrophobicContact CD1-CG 3.84Å; L13-E29 HydrophobicContact CD2-CG 4.18Å
30T87.4Confident92.1Very high134 Ų13475 Ų7582%0.82240%0.397SS*.THydrogen-bonded Turntrans-89.7-1.7179.953.10000113.7Q28Q28-T30 PolarHBondContact O-N 3.13Å; Q28-T30 VanDerWaalsContact O-N 3.12Å
31G91.6Very high91.4Very high28 Ų2881.6 Ų81.629%0.28943%0.426SS..EExtended strand (participates in β ladder)trans121.1-156.8-177.100000113Q28Q28-G31 PolarHBondContact N-O 2.8Å; Q28-G31 PolarHBondContact O-N 2.93Å
32V94.5Very high90.5Very high45 Ų4582 Ų8227%0.27342%0.424SS..EExtended strand (participates in β ladder)trans-90.5117.4-178.1-176.50000109.9C4 F6 F17 C25 C34C4-V32 HydrophobicContact CB-CG2 3.55Å; F6-V32 HydrophobicContact CB-CG2 4.07Å; F6-V32 HydrophobicContact CD2-CB 4.19Å; F6-V32 HydrophobicContact CD2-CG1 3.79Å; F6-V32 HydrophobicContact CD2-CG2 4.15Å; F6-V32 HydrophobicContact CE2-CG1 4.25Å; F6-V32 HydrophobicContact CG-CG1 4.43Å; F17-V32 HydrophobicContact CE1-CG1 4.14Å; F17-V32 HydrophobicContact CZ-CG1 3.58Å; F17-V32 HydrophobicContact CZ-CG2 4.41Å; C25-V32 HydrophobicContact CB-CG1 3.84Å; V32-C34 VanDerWaalsContact CG1-SG 3.55Å
33L94.7Very high89.4Confident102 Ų10285.6 Ų85.653%0.53446%0.455SS..EExtended strand (participates in β ladder)trans-98.9116.4171-177.264.5000109.8C25 L26 Q28C25-L33 CarbonylContact C-O 3.58Å; C25-L33 VanDerWaalsContact CA-O 3.29Å; C25-L33 WeakPolarHBondContact CA-O 3.38Å; L26-L33 PolarHBondContact N-O 3.15Å; L26-L33 PolarHBondContact O-N 2.84Å; Q28-L33 VanDerWaalsContact OE1-CD2 3.3Å
34C95.3Very high88.3Confident53 Ų5386.1 Ų86.136%0.35846%0.459SS..EExtended strand (participates in β ladder)trans-110.9137.4178.2-630000111.7T23 L24 C25 V32T23-C34 HydrophobicContact CG2-CB 3.97Å; L24-C34 CarbonylContact O-C 3.57Å; L24-C34 WeakPolarHBondContact O-CA 3.38Å; C25-C34 HydrophobicContact CB-CB 4.13Å; C25-C34 WeakPolarHBondContact CB-SG 3.31Å; C25-C34 WeakPolarHBondContact SG-CB 2.99Å; C25-C34 CovalentContact SG-SG 2.05Å; C25-C34 PolarHBondContact SG-SG 2.8Å; V32-C34 VanDerWaalsContact CG1-SG 3.55Å
35R95.2Very high87.3Confident179 Ų17988.1 Ų88.168%0.67547%0.469SS*.EExtended strand (participates in β ladder)trans-116.1122.9170.6-176.4177177.3178.80109.3L24L24-R35 PolarHBondContact N-O 2.99Å; L24-R35 PolarHBondContact O-N 3.06Å
36R94.1Very high86.2Confident189 Ų18997 Ų9771%0.71351%0.508SS*.EExtended strand (participates in β ladder)trans-95.1131.7174.3-164.6171.5-173168.93.2110.4C22C22-R36 CarbonylContact O-C 3.6Å; C22-R36 WeakPolarHBondContact O-CA 3.27Å
37F91.3Very high85Confident84 Ų84102.6 Ų102.637%0.36853%0.532SS..PPolyproline II helixtrans-88.4134.4174.9-61.7-81000109.7C22 L24C22-F37 WeakPolarHBondContact O-CD2 3.06Å; C22-F37 PolarHBondContact O-N 2.86Å; L24-F37 HydrophobicContact CB-CE2 3.89Å
38V90.4Very high83.7Confident137 Ų137107.3 Ų107.383%0.8355%0.55SS**PPolyproline II helixtrans-100.4133.2176.5-178.30000108.7
39C86.4Confident82.9Confident42 Ų42106.6 Ų106.628%0.28455%0.548SS..PPolyproline II helixtrans-75139.9-179.5-65.10000112.3C57C39-C57 WeakPolarHBondContact CA-SG 3.34Å; C39-C57 HydrophobicContact CB-CB 3.81Å; C39-C57 WeakPolarHBondContact CB-SG 3.41Å; C39-C57 WeakPolarHBondContact SG-CA 3.02Å; C39-C57 WeakPolarHBondContact SG-CB 3Å; C39-C57 CovalentContact SG-SG 2.05Å; C39-C57 PolarHBondContact SG-SG 2.88Å
40P81.9Confident82.4Confident99 Ų99103.4 Ų103.464%0.64353%0.533SS*.PPolyproline II helixtrans-65.1151.9172.827.6-33.1000111I42P40-I42 PolarHBondContact O-N 2.87Å
41Q77.9Confident82.1Confident197 Ų197104 Ų10492%0.92153%0.525SS*.PPolyproline II helixtrans-68.1123.6174.6-67.9-71.1-31.400109.9
42I72.2Confident81.5Confident73 Ų73105.2 Ų105.237%0.37453%0.527SS..  trans-115.4134.9179.555.8180000111P40 C44 L49 P58P40-I42 PolarHBondContact O-N 2.87Å; I42-C44 PolarHBondContact O-N 3.18Å; I42-L49 HydrophobicContact CD1-CD2 3.59Å; I42-L49 HydrophobicContact CG1-CD2 4.27Å; I42-P58 HydrophobicContact CD1-CB 4.32Å; I42-P58 HydrophobicContact CD1-CG 3.89Å; I42-P58 WeakPolarHBondContact CD1-O 3.47Å
43A70.4Confident80.9Confident95 Ų95108 Ų10879%0.78555%0.554SS**  trans-92.479.8-178.400000111.6Y63A43-Y63 PolarHBondContact O-OH 3.32Å
44C70.1Confident80.3Confident26 Ų26106.1 Ų106.118%0.17656%0.56CS.*  trans-133.9153169.150.10000114.5I42 K46 C60 Y63I42-C44 PolarHBondContact O-N 3.18Å; C44-K46 PolarHBondContact O-N 2.73Å; C44-C60 HydrophobicContact CB-CB 3.63Å; C44-C60 WeakPolarHBondContact CB-SG 3.48Å; C44-C60 WeakPolarHBondContact SG-CB 3.49Å; C44-C60 CovalentContact SG-SG 2.05Å; C44-C60 PolarHBondContact SG-SG 3.46Å; C44-Y63 WeakPolarHBondContact CA-OH 2.95Å; C44-Y63 HydrophobicContact CB-CD2 4.49Å; C44-Y63 HydrophobicContact CB-CE2 3.52Å
45L73.9Confident79.9Confident99 Ų99107.8 Ų107.852%0.51857%0.565SS.*  trans-54.9135.9169.4-76.4161.4000109Q47 R48L45-Q47 PolarHBondContact O-N 3.22Å; L45-R48 HydrophobicContact CB-CG 4.27Å; L45-R48 WeakPolarHBondContact O-CB 3.42Å; L45-R48 PolarHBondContact O-N 3.05Å
46K72.1Confident79.6Confident188 Ų188100.9 Ų100.982%0.81754%0.543SS*.G310 helixtrans-51.1-34.8-177.4-75.5-174.6177.9-179.50113.6C44 R48 L49C44-K46 PolarHBondContact O-N 2.73Å; K46-R48 PolarHBondContact O-N 3.36Å; K46-L49 PolarHBondContact O-N 3.23Å
47Q69.6Low79.2Confident179 Ų17993.6 Ų93.684%0.83652%0.521SS*.G310 helixtrans-66.9-15178.8-64.4158.4-10.700114L45L45-Q47 PolarHBondContact O-N 3.22Å
48R67.6Low78.8Confident101 Ų10190.8 Ų90.838%0.38151%0.511SS..G310 helixtrans-108.21.6-176.2-58.9-172.2-178.4-170.30.1112.9L45 K46 C60 R61L45-R48 HydrophobicContact CB-CG 4.27Å; L45-R48 WeakPolarHBondContact O-CB 3.42Å; L45-R48 PolarHBondContact O-N 3.05Å; K46-R48 PolarHBondContact O-N 3.36Å; R48-C60 CarbonylContact O-C 3.54Å; R48-C60 WeakPolarHBondContact O-CA 3.16Å; R48-R61 PolarHBondContact O-N 2.82Å
49L75.8Confident78.1Confident58 Ų5888.8 Ų88.830%0.30450%0.495SS..EExtended strand (participates in β ladder)trans-70.3127.7170.9-78.1157.3000109.3I42 K46 F51 P58I42-L49 HydrophobicContact CD1-CD2 3.59Å; I42-L49 HydrophobicContact CG1-CD2 4.27Å; K46-L49 PolarHBondContact O-N 3.23Å; L49-F51 HydrophobicContact CB-CE2 4.4Å; L49-P58 HydrophobicContact CD2-CB 3.83Å; L49-P58 HydrophobicContact CD2-CG 3.97Å
50H77.2Confident77.4Confident63 Ų6388.4 Ų88.429%0.29249%0.493SS..EExtended strand (participates in β ladder)trans-124121176.9-175.455.4000110.6P58 L59 R61H50-P58 WeakPolarHBondContact O-CA 3.47Å; H50-L59 PolarHBondContact N-O 3.47Å; H50-L59 PolarHBondContact O-N 2.81Å; H50-R61 HydrophobicContact CB-CB 3.87Å; H50-R61 HydrophobicContact CB-CG 4.35Å; H50-R61 PolarHBondContact CE1-NH1 2.05Å; H50-R61 PolarHBondContact ND1-NH1 3.39Å; H50-R61 PolarHBondContact NE2-NH1 3.02Å
51F82.5Confident76.9Confident147 Ų14791.6 Ų91.665%0.64549%0.492SS*.PPolyproline II helixtrans-93.9116.7174.2-63.7-91.9000108.2L49 P58L49-F51 HydrophobicContact CB-CE2 4.4Å; F51-P58 HydrophobicContact CD1-CB 3.92Å; F51-P58 HydrophobicContact CE1-CB 3.69Å; F51-P58 HydrophobicContact CE1-CG 3.9Å; F51-P58 HydrophobicContact CE2-CB 4.38Å; F51-P58 HydrophobicContact CG-CB 4.37Å; F51-P58 HydrophobicContact CZ-CB 3.93Å; F51-P58 HydrophobicContact CZ-CG 4.2Å
52T78.3Confident76.1Confident54 Ų5484.9 Ų84.933%0.33148%0.476SS..PPolyproline II helixtrans-97.1131.7177.9-47.70000108.4G54 L55T52-G54 PolarHBondContact O-N 3.31Å; T52-L55 HydrophobicContact CG2-CD1 4.35Å; T52-L55 PolarHBondContact O-N 3.38Å; T52-L55 VanDerWaalsContact O-N 3.13Å
53A82.7Confident75.2Confident103 Ų10386.4 Ų86.485%0.85148%0.478SS*.THydrogen-bonded Turntrans-56.3131.4177.900000110.7
54G82.5Confident74.5Confident63 Ų6387.1 Ų87.165%0.64947%0.468SS*.THydrogen-bonded Turntrans88.9-11.5-178.400000115.8T52T52-G54 PolarHBondContact O-N 3.31Å
55L85.1Confident74.1Confident88 Ų8891.3 Ų91.346%0.46148%0.484SS..  trans-94.5140.9173.1-65.9-178000111.4P21 T52 L59P21-L55 VanDerWaalsContact CB-C 3.49Å; P21-L55 WeakPolarHBondContact CB-O 3Å; T52-L55 HydrophobicContact CG2-CD1 4.35Å; T52-L55 PolarHBondContact O-N 3.38Å; T52-L55 VanDerWaalsContact O-N 3.13Å; L55-L59 HydrophobicContact CD1-CD1 3.84Å; L55-L59 HydrophobicContact CD1-CG 4.39Å
56C88.8Confident74.1Confident33 Ų3390.9 Ų90.922%0.22348%0.481CS..SBendtrans-65.7-43.9173.2174.10000112.4P21 C22P21-C56 WeakPolarHBondContact O-CB 3.42Å; C22-C56 WeakPolarHBondContact CA-SG 3.36Å; C22-C56 HydrophobicContact CB-CB 3.92Å; C22-C56 WeakPolarHBondContact CB-SG 3.37Å; C22-C56 VanDerWaalsContact SG-C 3.52Å; C22-C56 WeakPolarHBondContact SG-CA 3.27Å; C22-C56 WeakPolarHBondContact SG-CB 3.25Å; C22-C56 PolarHBondContact SG-O 2.85Å; C22-C56 CovalentContact SG-SG 2.03Å; C22-C56 PolarHBondContact SG-SG 3.13Å
57C87.3Confident74.6Confident37 Ų3785 Ų8525%0.2546%0.462CS..SBendtrans-111.3143-167.8-60.70000112.9C39C39-C57 WeakPolarHBondContact CA-SG 3.34Å; C39-C57 HydrophobicContact CB-CB 3.81Å; C39-C57 WeakPolarHBondContact CB-SG 3.41Å; C39-C57 WeakPolarHBondContact SG-CA 3.02Å; C39-C57 WeakPolarHBondContact SG-CB 3Å; C39-C57 CovalentContact SG-SG 2.05Å; C39-C57 PolarHBondContact SG-SG 2.88Å
58P82.6Confident75.4Confident25 Ų2576.5 Ų76.516%0.16242%0.423CS..  trans-66.1149.1174.626.9-32.4000110.9I42 L49 H50 F51I42-P58 HydrophobicContact CD1-CB 4.32Å; I42-P58 HydrophobicContact CD1-CG 3.89Å; I42-P58 WeakPolarHBondContact CD1-O 3.47Å; L49-P58 HydrophobicContact CD2-CB 3.83Å; L49-P58 HydrophobicContact CD2-CG 3.97Å; H50-P58 WeakPolarHBondContact O-CA 3.47Å; F51-P58 HydrophobicContact CD1-CB 3.92Å; F51-P58 HydrophobicContact CE1-CB 3.69Å; F51-P58 HydrophobicContact CE1-CG 3.9Å; F51-P58 HydrophobicContact CE2-CB 4.38Å; F51-P58 HydrophobicContact CG-CB 4.37Å; F51-P58 HydrophobicContact CZ-CB 3.93Å; F51-P58 HydrophobicContact CZ-CG 4.2Å
59L75.9Confident76.5Confident95 Ų9576 Ų7650%0.49743%0.434SS..EExtended strand (participates in β ladder)trans-108.2143172.1-60175.4000108.6H50 L55 R61H50-L59 PolarHBondContact N-O 3.47Å; H50-L59 PolarHBondContact O-N 2.81Å; L55-L59 HydrophobicContact CD1-CD1 3.84Å; L55-L59 HydrophobicContact CD1-CG 4.39Å; L59-R61 PolarHBondContact O-N 2.05Å
60C71.4Confident77.3Confident34 Ų3475.2 Ų75.223%0.2343%0.428CS..EExtended strand (participates in β ladder)trans-79.4110.2171.3-58.40000108.6C44 R48 Y63C44-C60 HydrophobicContact CB-CB 3.63Å; C44-C60 WeakPolarHBondContact CB-SG 3.48Å; C44-C60 WeakPolarHBondContact SG-CB 3.49Å; C44-C60 CovalentContact SG-SG 2.05Å; C44-C60 PolarHBondContact SG-SG 3.46Å; R48-C60 CarbonylContact O-C 3.54Å; R48-C60 WeakPolarHBondContact O-CA 3.16Å; C60-Y63 HydrophobicContact CB-CD2 3.49Å; C60-Y63 VanDerWaalsContact CB-CD2 3.49Å; C60-Y63 HydrophobicContact CB-CE2 3.8Å; C60-Y63 HydrophobicContact CB-CG 4.25Å
61R70.6Confident77.8Confident165 Ų16579.7 Ų79.762%0.62345%0.449SS*.THydrogen-bonded Turntrans-75.2128.6178.5-147.7175.1-177.5154.1-3.4109.1R48 H50 L59R48-R61 PolarHBondContact O-N 2.82Å; H50-R61 HydrophobicContact CB-CB 3.87Å; H50-R61 HydrophobicContact CB-CG 4.35Å; H50-R61 PolarHBondContact CE1-NH1 2.05Å; H50-R61 PolarHBondContact ND1-NH1 3.39Å; H50-R61 PolarHBondContact NE2-NH1 3.02Å; L59-R61 PolarHBondContact O-N 2.05Å
62G61.9Low78.1Confident57 Ų5776.3 Ų76.359%0.58846%0.455SS*.THydrogen-bonded Turntrans90.824.3175.800000115.9
63Y53.3Low78.7Confident105 Ų10576.6 Ų76.641%0.41246%0.46SS..  trans-103.786.7172.3-86.5-101.4000110.8A43 C44 C60A43-Y63 PolarHBondContact O-OH 3.32Å; C44-Y63 WeakPolarHBondContact CA-OH 2.95Å; C44-Y63 HydrophobicContact CB-CD2 4.49Å; C44-Y63 HydrophobicContact CB-CE2 3.52Å; C60-Y63 HydrophobicContact CB-CD2 3.49Å; C60-Y63 VanDerWaalsContact CB-CD2 3.49Å; C60-Y63 HydrophobicContact CB-CE2 3.8Å; C60-Y63 HydrophobicContact CB-CG 4.25Å
64D54.7Low79Confident110 Ų11077.9 Ų77.959%0.58845%0.451SS*.  trans-133.384.4136.4-73-46.5000103.9L66 N93D64-L66 HydrophobicContact CB-CD1 4.47Å; D64-L66 HydrophobicContact CB-CG 4.49Å; D64-N93 PolarHBondContact O-ND2 2.78Å; D64-N93 PolarHBondContact O-OD1 2.96Å
65F63.3Low79.2Confident114 Ų11476.5 Ų76.550%0.543%0.427SS..  trans-107.773156.1-69.7-65.1000104.9D77F65-D77 HydrophobicContact CB-CB 3.7Å; F65-D77 HydrophobicContact CD1-CB 4.35Å; F65-D77 VanDerWaalsContact CD1-OD2 3.23Å; F65-D77 WeakPolarHBondContact CD1-OD2 3.23Å; F65-D77 HydrophobicContact CG-CB 4.35Å
66L73Confident79.3Confident89 Ų8982 Ų8247%0.46644%0.441SS..PPolyproline II helixtrans-59.8133.5-176.8-75156000108.9D64 N93 G94D64-L66 HydrophobicContact CB-CD1 4.47Å; D64-L66 HydrophobicContact CB-CG 4.49Å; L66-N93 PolarHBondContact N-OD1 3.46Å; L66-G94 WeakPolarHBondContact O-CA 3.11Å; L66-G94 PolarHBondContact O-N 2.89Å
67P81.7Confident79.1Confident65 Ų6583.2 Ų83.242%0.42245%0.446SS..PPolyproline II helixtrans-64.5149.7169.829.7-33.9000109.1L74 Y75P67-L74 HydrophobicContact CB-CD1 3.9Å; P67-L74 HydrophobicContact CB-CD2 4.23Å; P67-L74 HydrophobicContact CB-CG 3.95Å; P67-L74 HydrophobicContact CG-CD1 4.09Å; P67-Y75 CarbonylContact C-O 3.59Å; P67-Y75 VanDerWaalsContact CA-O 3.28Å; P67-Y75 WeakPolarHBondContact CA-O 3.35Å; P67-Y75 WeakPolarHBondContact CB-O 3.37Å
68C86.7Confident79.1Confident0 Ų083.1 Ų83.10%045%0.451CS..EExtended strand (participates in β ladder)trans-92.9135.7173.8-56.30000109.5Y75 C91 K95 V96C68-Y75 PolarHBondContact N-O 2.68Å; C68-Y75 PolarHBondContact O-N 2.98Å; C68-C91 HydrophobicContact CB-CB 3.73Å; C68-C91 WeakPolarHBondContact CB-SG 3.47Å; C68-C91 PolarHBondContact N-SG 2.81Å; C68-C91 WeakPolarHBondContact SG-CA 3.11Å; C68-C91 WeakPolarHBondContact SG-CB 3.49Å; C68-C91 CovalentContact SG-SG 2.03Å; C68-C91 PolarHBondContact SG-SG 2.79Å; C68-K95 VanDerWaalsContact SG-C 3.51Å; C68-K95 PolarHBondContact SG-O 3.4Å; C68-K95 VanDerWaalsContact SG-O 3.33Å; C68-V96 HydrophobicContact CB-CG2 3.65Å
69S92Very high79.6Confident90 Ų9085.7 Ų85.763%0.62946%0.461SS*.EExtended strand (participates in β ladder)trans-95.9124.7165.1-176.50000109
70Y91Very high80.5Confident42 Ų4284.5 Ų84.517%0.16546%0.458CS..EExtended strand (participates in β ladder)trans-137.9114.3176.7-174.2-105.1000110.1G72 S73 Y75 W81 K83 V96Y70-G72 VanDerWaalsContact C-N 3.33Å; Y70-G72 PolarHBondContact O-N 2.96Å; Y70-S73 PolarHBondContact N-O 2.72Å; Y70-S73 PolarHBondContact O-N 2.89Å; Y70-Y75 HydrophobicContact CD1-CE2 4.38Å; Y70-W81 AromaticContact CD1-CE2 3.82Å; Y70-W81 AromaticContact CD1-CZ2 3.79Å; Y70-W81 HydrophobicContact CD1-CZ2 3.79Å; Y70-W81 AromaticContact CD1-NE1 3.33Å; Y70-W81 VanDerWaalsContact CD1-NE1 3.33Å; Y70-W81 HydrophobicContact CD2-CZ2 4.42Å; Y70-W81 AromaticContact CE1-NE1 3.56Å; Y70-W81 AromaticContact CG-CZ2 3.75Å; Y70-W81 HydrophobicContact CG-CZ2 3.75Å; Y70-K83 HydrophobicContact CE1-CG 4.48Å; Y70-K83 WeakPolarHBondContact OH-CD 3.47Å; Y70-K83 WeakPolarHBondContact OH-CE 3.41Å; Y70-V96 HydrophobicContact CD2-CG1 4.08Å; Y70-V96 HydrophobicContact CD2-CG2 4.26Å
71H89.1Confident81.6Confident158 Ų15884.2 Ų84.273%0.73145%0.452SS*.THydrogen-bonded Turntrans48.248.2-175.4-71.1-94000113.7S73H71-S73 PolarHBondContact O-N 3.38Å
72G88Confident82.7Confident76 Ų7684 Ų8478%0.78446%0.455SS*.THydrogen-bonded Turntrans76.1-5.5179.100000115.1Y70Y70-G72 VanDerWaalsContact C-N 3.33Å; Y70-G72 PolarHBondContact O-N 2.96Å
73S91.3Very high84.2Confident60 Ų6086.9 Ų86.942%0.4245%0.452SS..EExtended strand (participates in β ladder)trans-96137.5174.1-62.40000111.1Y70 H71 Y75Y70-S73 PolarHBondContact N-O 2.72Å; Y70-S73 PolarHBondContact O-N 2.89Å; H71-S73 PolarHBondContact O-N 3.38Å; S73-Y75 WeakPolarHBondContact O-CD2 3.31Å; S73-Y75 WeakPolarHBondContact O-CE2 3.13Å
74L88Confident86.1Confident129 Ų12984.8 Ų84.868%0.67545%0.448SS*.EExtended strand (participates in β ladder)trans-92.5127.2177.3-163.483.2000110.3P67P67-L74 HydrophobicContact CB-CD1 3.9Å; P67-L74 HydrophobicContact CB-CD2 4.23Å; P67-L74 HydrophobicContact CB-CG 3.95Å; P67-L74 HydrophobicContact CG-CD1 4.09Å
75Y87.4Confident87.9Confident35 Ų3582.5 Ų82.514%0.13744%0.44CS..EExtended strand (participates in β ladder)trans-115.8130.8179-64.1-92.9000110.2P67 C68 Y70 S73 Q79 W81P67-Y75 CarbonylContact C-O 3.59Å; P67-Y75 VanDerWaalsContact CA-O 3.28Å; P67-Y75 WeakPolarHBondContact CA-O 3.35Å; P67-Y75 WeakPolarHBondContact CB-O 3.37Å; C68-Y75 PolarHBondContact N-O 2.68Å; C68-Y75 PolarHBondContact O-N 2.98Å; Y70-Y75 HydrophobicContact CD1-CE2 4.38Å; S73-Y75 WeakPolarHBondContact O-CD2 3.31Å; S73-Y75 WeakPolarHBondContact O-CE2 3.13Å; Y75-Q79 VanDerWaalsContact CA-OE1 3.32Å; Y75-Q79 HydrophobicContact CD1-CG 4.07Å; Y75-W81 AromaticContact CD1-CD2 3.63Å; Y75-W81 HydrophobicContact CD1-CD2 3.63Å; Y75-W81 AromaticContact CD1-CE3 3.25Å; Y75-W81 HydrophobicContact CD1-CE3 3.25Å; Y75-W81 HydrophobicContact CD1-CG 4.22Å; Y75-W81 HydrophobicContact CD1-CH2 4.24Å; Y75-W81 AromaticContact CD1-CZ3 3.59Å; Y75-W81 HydrophobicContact CD1-CZ3 3.59Å; Y75-W81 HydrophobicContact CD2-CE3 4.49Å; Y75-W81 HydrophobicContact CD2-CH2 4.09Å; Y75-W81 HydrophobicContact CD2-CZ2 4.2Å; Y75-W81 HydrophobicContact CD2-CZ3 4.23Å; Y75-W81 HydrophobicContact CE1-CB 3.83Å; Y75-W81 AromaticContact CE1-CD2 3.36Å; Y75-W81 HydrophobicContact CE1-CD2 3.36Å; Y75-W81 AromaticContact CE1-CE2 3.92Å; Y75-W81 AromaticContact CE1-CE3 3.54Å; Y75-W81 HydrophobicContact CE1-CE3 3.54Å; Y75-W81 AromaticContact CE1-CG 3.52Å; Y75-W81 HydrophobicContact CE1-CG 3.52Å; Y75-W81 HydrophobicContact CE1-CZ3 4.21Å; Y75-W81 HydrophobicContact CE2-CD2 4.4Å; Y75-W81 HydrophobicContact CE2-CZ2 4.23Å; Y75-W81 HydrophobicContact CG-CD2 4.25Å; Y75-W81 AromaticContact CG-CE3 3.79Å; Y75-W81 HydrophobicContact CG-CE3 3.79Å; Y75-W81 AromaticContact CG-CH2 3.92Å; Y75-W81 HydrophobicContact CG-CH2 3.92Å; Y75-W81 HydrophobicContact CG-CZ2 4.37Å; Y75-W81 AromaticContact CG-CZ3 3.61Å; Y75-W81 HydrophobicContact CG-CZ3 3.61Å; Y75-W81 AromaticContact CZ-CD2 3.79Å; Y75-W81 AromaticContact CZ-CE2 3.85Å; Y75-W81 AromaticContact CZ-CG 3.92Å; Y75-W81 AromaticContact CZ-NE1 4Å
76R87.5Confident89.4Confident202 Ų20278.1 Ų78.176%0.76242%0.424SS*.  trans-68.7151.5175.6-61.8-178-176.2-175.90.7110G78 Q79 C91R76-G78 PolarHBondContact O-N 3.34Å; R76-Q79 HydrophobicContact CB-CB 4.46Å; R76-Q79 WeakPolarHBondContact O-CB 3.02Å; R76-Q79 PolarHBondContact O-N 3.33Å; R76-C91 VanDerWaalsContact O-CB 3.3Å; R76-C91 WeakPolarHBondContact O-CB 3.48Å
77D84.6Confident90.4Very high59 Ų5974.4 Ų74.432%0.31641%0.405SS..THydrogen-bonded Turntrans-52.2136.3169.3-177.968.7000110.9F65 Q79 S92 N93F65-D77 HydrophobicContact CB-CB 3.7Å; F65-D77 HydrophobicContact CD1-CB 4.35Å; F65-D77 VanDerWaalsContact CD1-OD2 3.23Å; F65-D77 WeakPolarHBondContact CD1-OD2 3.23Å; F65-D77 HydrophobicContact CG-CB 4.35Å; D77-Q79 PolarHBondContact O-N 3.06Å; D77-S92 WeakPolarHBondContact OD1-CA 3.35Å; D77-N93 PolarHBondContact OD1-N 3.47Å
78G88.3Confident91.1Very high36 Ų3677.1 Ų77.137%0.37141%0.41SS..THydrogen-bonded Turntrans81.9-16.7-174.200000115.4R76 C91R76-G78 PolarHBondContact O-N 3.34Å; G78-C91 WeakPolarHBondContact CA-O 3.5Å; G78-C91 PolarHBondContact N-O 2.89Å
79Q91.4Very high91.6Very high79 Ų7977.2 Ų77.237%0.36941%0.41SS..  trans-65.2136.4-178.6-171.2175.2-8.300111.2Y75 R76 D77 W81 K90 C91Y75-Q79 VanDerWaalsContact CA-OE1 3.32Å; Y75-Q79 HydrophobicContact CD1-CG 4.07Å; R76-Q79 HydrophobicContact CB-CB 4.46Å; R76-Q79 WeakPolarHBondContact O-CB 3.02Å; R76-Q79 PolarHBondContact O-N 3.33Å; D77-Q79 PolarHBondContact O-N 3.06Å; Q79-W81 WeakPolarHBondContact O-CZ3 3Å; Q79-K90 CarbonylContact O-C 3.58Å; Q79-K90 VanDerWaalsContact O-CA 3.31Å; Q79-K90 WeakPolarHBondContact O-CA 3.4Å; Q79-C91 PolarHBondContact O-N 2.78Å
80T95.7Very high91.8Very high69 Ų6977.8 Ų77.842%0.42340%0.401SS..EExtended strand (participates in β ladder)trans-117143.2175.771.30000111.8C89 K90T80-C89 CarbonylContact C-O 3.6Å; T80-C89 WeakPolarHBondContact CA-O 3.3Å; T80-C89 WeakPolarHBondContact CB-O 3.34Å; T80-K90 HydrophobicContact CG2-CB 3.94Å; T80-K90 HydrophobicContact CG2-CD 4.19Å; T80-K90 HydrophobicContact CG2-CG 3.92Å
81W94.4Very high91.9Very high28 Ų2875.8 Ų75.811%0.10639%0.394CS..EExtended strand (participates in β ladder)trans-142.5161.7176.866.1103.5000111.2Y70 Y75 Q79 C89 C91 V96Y70-W81 AromaticContact CD1-CE2 3.82Å; Y70-W81 AromaticContact CD1-CZ2 3.79Å; Y70-W81 HydrophobicContact CD1-CZ2 3.79Å; Y70-W81 AromaticContact CD1-NE1 3.33Å; Y70-W81 VanDerWaalsContact CD1-NE1 3.33Å; Y70-W81 HydrophobicContact CD2-CZ2 4.42Å; Y70-W81 AromaticContact CE1-NE1 3.56Å; Y70-W81 AromaticContact CG-CZ2 3.75Å; Y70-W81 HydrophobicContact CG-CZ2 3.75Å; Y75-W81 AromaticContact CD1-CD2 3.63Å; Y75-W81 HydrophobicContact CD1-CD2 3.63Å; Y75-W81 AromaticContact CD1-CE3 3.25Å; Y75-W81 HydrophobicContact CD1-CE3 3.25Å; Y75-W81 HydrophobicContact CD1-CG 4.22Å; Y75-W81 HydrophobicContact CD1-CH2 4.24Å; Y75-W81 AromaticContact CD1-CZ3 3.59Å; Y75-W81 HydrophobicContact CD1-CZ3 3.59Å; Y75-W81 HydrophobicContact CD2-CE3 4.49Å; Y75-W81 HydrophobicContact CD2-CH2 4.09Å; Y75-W81 HydrophobicContact CD2-CZ2 4.2Å; Y75-W81 HydrophobicContact CD2-CZ3 4.23Å; Y75-W81 HydrophobicContact CE1-CB 3.83Å; Y75-W81 AromaticContact CE1-CD2 3.36Å; Y75-W81 HydrophobicContact CE1-CD2 3.36Å; Y75-W81 AromaticContact CE1-CE2 3.92Å; Y75-W81 AromaticContact CE1-CE3 3.54Å; Y75-W81 HydrophobicContact CE1-CE3 3.54Å; Y75-W81 AromaticContact CE1-CG 3.52Å; Y75-W81 HydrophobicContact CE1-CG 3.52Å; Y75-W81 HydrophobicContact CE1-CZ3 4.21Å; Y75-W81 HydrophobicContact CE2-CD2 4.4Å; Y75-W81 HydrophobicContact CE2-CZ2 4.23Å; Y75-W81 HydrophobicContact CG-CD2 4.25Å; Y75-W81 AromaticContact CG-CE3 3.79Å; Y75-W81 HydrophobicContact CG-CE3 3.79Å; Y75-W81 AromaticContact CG-CH2 3.92Å; Y75-W81 HydrophobicContact CG-CH2 3.92Å; Y75-W81 HydrophobicContact CG-CZ2 4.37Å; Y75-W81 AromaticContact CG-CZ3 3.61Å; Y75-W81 HydrophobicContact CG-CZ3 3.61Å; Y75-W81 AromaticContact CZ-CD2 3.79Å; Y75-W81 AromaticContact CZ-CE2 3.85Å; Y75-W81 AromaticContact CZ-CG 3.92Å; Y75-W81 AromaticContact CZ-NE1 4Å; Q79-W81 WeakPolarHBondContact O-CZ3 3Å; W81-C89 HydrophobicContact CD2-CB 3.73Å; W81-C89 HydrophobicContact CE3-CB 4.2Å; W81-C89 HydrophobicContact CG-CB 4.28Å; W81-C89 HydrophobicContact CH2-CB 4Å; W81-C89 HydrophobicContact CZ2-CB 3.48Å; W81-C89 VanDerWaalsContact CZ2-CB 3.48Å; W81-C89 HydrophobicContact CZ3-CB 4.33Å; W81-C89 PolarHBondContact N-O 2.81Å; W81-C89 PolarHBondContact O-N 3.44Å; W81-C91 HydrophobicContact CH2-CB 4.48Å; W81-C91 HydrophobicContact CZ3-CB 4.09Å; W81-V96 HydrophobicContact CH2-CB 4.4Å; W81-V96 HydrophobicContact CH2-CG1 3.71Å; W81-V96 HydrophobicContact CH2-CG2 4.05Å; W81-V96 HydrophobicContact CZ2-CG1 3.57Å; W81-V96 HydrophobicContact CZ2-CG2 4.3Å
82K94.3Very high92Very high161 Ų16170.7 Ų70.770%0.738%0.376SS*.EExtended strand (participates in β ladder)trans-94.3123.4170.3-70-174.4177.4-177.40108.6T87K82-T87 WeakPolarHBondContact CA-O 3.1Å
83K93Very high91.8Very high118 Ų11870.2 Ų70.251%0.51336%0.355SS..SBendtrans-77-39.7170.5174.2-171.6-179.3174.90110.6Y70 T87Y70-K83 HydrophobicContact CE1-CG 4.48Å; Y70-K83 WeakPolarHBondContact OH-CD 3.47Å; Y70-K83 WeakPolarHBondContact OH-CE 3.41Å; K83-T87 HydrophobicContact CB-CG2 4.15Å; K83-T87 HydrophobicContact CD-CG2 4.13Å; K83-T87 PolarHBondContact N-O 3.21Å
84D93.2Very high91.4Very high60 Ų6068.9 Ų68.932%0.32135%0.351SS..SBendtrans-154.6-176.8177.857.956.5000109C86 T87D84-C86 PolarHBondContact O-N 3.09Å; D84-C86 VanDerWaalsContact O-N 3.11Å; D84-C86 VanDerWaalsContact OD1-CA 3.31Å; D84-C86 WeakPolarHBondContact OD1-CA 3.08Å; D84-C86 WeakPolarHBondContact OD1-CB 3.44Å; D84-C86 PolarHBondContact OD1-N 2.95Å; D84-T87 PolarHBondContact O-N 3.3Å; D84-T87 WeakPolarHBondContact OD1-CB 3.47Å; D84-T87 PolarHBondContact OD1-N 2.03Å; D84-T87 PolarHBondContact OD1-OG1 2.75Å; D84-T87 WeakPolarHBondContact OD2-CB 3.26Å; D84-T87 PolarHBondContact OD2-OG1 2.86Å
85S92.6Very high91.5Very high62 Ų6269.8 Ų69.843%0.43435%0.35SS..SBendtrans-59.8-21.5-179.8-54.80000114.1Q121 C122S85-Q121 VanDerWaalsContact CB-O 3.29Å; S85-Q121 WeakPolarHBondContact CB-O 3.02Å; S85-C122 WeakPolarHBondContact O-CA 3.38Å; S85-C122 VanDerWaalsContact O-CB 3.27Å; S85-C122 WeakPolarHBondContact O-CB 3.34Å; S85-C122 PolarHBondContact O-N 2.9Å
86C93.9Very high91.9Very high23 Ų2370.5 Ų70.516%0.15536%0.358CS..SBendtrans-108-17.6-177.5-74.70000114.8D84 R100 Q101 C122D84-C86 PolarHBondContact O-N 3.09Å; D84-C86 VanDerWaalsContact O-N 3.11Å; D84-C86 VanDerWaalsContact OD1-CA 3.31Å; D84-C86 WeakPolarHBondContact OD1-CA 3.08Å; D84-C86 WeakPolarHBondContact OD1-CB 3.44Å; D84-C86 PolarHBondContact OD1-N 2.95Å; C86-R100 HydrophobicContact CB-CG 4.11Å; C86-R100 CarbonylContact O-C 3.54Å; C86-R100 WeakPolarHBondContact O-CA 2.99Å; C86-Q101 PolarHBondContact O-N 3.42Å; C86-C122 WeakPolarHBondContact CA-SG 3.26Å; C86-C122 HydrophobicContact CB-CB 3.88Å; C86-C122 WeakPolarHBondContact CB-SG 3.24Å; C86-C122 WeakPolarHBondContact SG-CA 3.28Å; C86-C122 WeakPolarHBondContact SG-CB 3.2Å; C86-C122 PolarHBondContact SG-O 3.01Å; C86-C122 VanDerWaalsContact SG-O 3.33Å; C86-C122 CovalentContact SG-SG 2.04Å; C86-C122 PolarHBondContact SG-SG 2.95Å
87T95.4Very high92.3Very high11 Ų1165.5 Ų65.57%0.06734%0.343CS..EExtended strand (participates in β ladder)trans-117.3114.7-167.3-51.10000110.9K82 K83 D84 C98K82-T87 WeakPolarHBondContact CA-O 3.1Å; K83-T87 HydrophobicContact CB-CG2 4.15Å; K83-T87 HydrophobicContact CD-CG2 4.13Å; K83-T87 PolarHBondContact N-O 3.21Å; D84-T87 PolarHBondContact O-N 3.3Å; D84-T87 WeakPolarHBondContact OD1-CB 3.47Å; D84-T87 PolarHBondContact OD1-N 2.03Å; D84-T87 PolarHBondContact OD1-OG1 2.75Å; D84-T87 WeakPolarHBondContact OD2-CB 3.26Å; D84-T87 PolarHBondContact OD2-OG1 2.86Å; T87-C98 HydrophobicContact CG2-CB 3.82Å
88K96.1Very high92.9Very high122 Ų12265.5 Ų65.553%0.5335%0.347SS..EExtended strand (participates in β ladder)trans-102.4125.4172.2-171.1178.8-177.8-179.30109.2C98 V99K88-C98 WeakPolarHBondContact O-CA 3.47Å; K88-V99 PolarHBondContact N-O 3.18Å; K88-V99 PolarHBondContact O-N 2.8Å
89C97.2Very high93.2Very high1 Ų169 Ų691%0.00736%0.36CS..EExtended strand (participates in β ladder)trans-108.4152.5178.8-58.60000110.9T80 W81 V96 H97 C98T80-C89 CarbonylContact C-O 3.6Å; T80-C89 WeakPolarHBondContact CA-O 3.3Å; T80-C89 WeakPolarHBondContact CB-O 3.34Å; W81-C89 HydrophobicContact CD2-CB 3.73Å; W81-C89 HydrophobicContact CE3-CB 4.2Å; W81-C89 HydrophobicContact CG-CB 4.28Å; W81-C89 HydrophobicContact CH2-CB 4Å; W81-C89 HydrophobicContact CZ2-CB 3.48Å; W81-C89 VanDerWaalsContact CZ2-CB 3.48Å; W81-C89 HydrophobicContact CZ3-CB 4.33Å; W81-C89 PolarHBondContact N-O 2.81Å; W81-C89 PolarHBondContact O-N 3.44Å; C89-V96 HydrophobicContact CB-CG1 4.31Å; C89-H97 CarbonylContact C-O 3.52Å; C89-H97 VanDerWaalsContact CA-O 3.26Å; C89-H97 WeakPolarHBondContact CA-O 3.19Å; C89-C98 HydrophobicContact CB-CB 4.13Å; C89-C98 WeakPolarHBondContact CB-SG 3.38Å; C89-C98 WeakPolarHBondContact SG-CB 3.35Å; C89-C98 CovalentContact SG-SG 2.05Å; C89-C98 PolarHBondContact SG-SG 3.35Å
90K96.4Very high93.4Very high102 Ų10273.3 Ų73.344%0.44337%0.373SS..EExtended strand (participates in β ladder)trans-136.8138175.4178.7173.2176.8-173.50109.4Q79 T80 H97Q79-K90 CarbonylContact O-C 3.58Å; Q79-K90 VanDerWaalsContact O-CA 3.31Å; Q79-K90 WeakPolarHBondContact O-CA 3.4Å; T80-K90 HydrophobicContact CG2-CB 3.94Å; T80-K90 HydrophobicContact CG2-CD 4.19Å; T80-K90 HydrophobicContact CG2-CG 3.92Å; K90-H97 PolarHBondContact N-O 2.05Å; K90-H97 PolarHBondContact O-N 3.11Å
91C92.1Very high93.2Very high0 Ų075.5 Ų75.50%038%0.379CS..EExtended strand (participates in β ladder)trans-83.5129.3167.6-177.60000109.9C68 R76 G78 Q79 W81C68-C91 HydrophobicContact CB-CB 3.73Å; C68-C91 WeakPolarHBondContact CB-SG 3.47Å; C68-C91 PolarHBondContact N-SG 2.81Å; C68-C91 WeakPolarHBondContact SG-CA 3.11Å; C68-C91 WeakPolarHBondContact SG-CB 3.49Å; C68-C91 CovalentContact SG-SG 2.03Å; C68-C91 PolarHBondContact SG-SG 2.79Å; R76-C91 VanDerWaalsContact O-CB 3.3Å; R76-C91 WeakPolarHBondContact O-CB 3.48Å; G78-C91 WeakPolarHBondContact CA-O 3.5Å; G78-C91 PolarHBondContact N-O 2.89Å; Q79-C91 PolarHBondContact O-N 2.78Å; W81-C91 HydrophobicContact CH2-CB 4.48Å; W81-C91 HydrophobicContact CZ3-CB 4.09Å
92S90.7Very high93Very high51 Ų5185.3 Ų85.336%0.35742%0.416SS..EExtended strand (participates in β ladder)trans-137.4104.3173.8-160.40000108.8D77 G94 K95 H97D77-S92 WeakPolarHBondContact OD1-CA 3.35Å; S92-G94 PolarHBondContact O-N 2.92Å; S92-K95 PolarHBondContact N-O 2.77Å; S92-K95 PolarHBondContact O-N 2.91Å; S92-H97 VanDerWaalsContact CB-CD2 3.41Å; S92-H97 WeakPolarHBondContact CB-CD2 3Å
93N84.9Confident92.6Very high66 Ų6680 Ų8035%0.35340%0.398SS..THydrogen-bonded Turntrans42.765.6179.4-170.613.7000113.8D64 L66 D77 K95D64-N93 PolarHBondContact O-ND2 2.78Å; D64-N93 PolarHBondContact O-OD1 2.96Å; L66-N93 PolarHBondContact N-OD1 3.46Å; D77-N93 PolarHBondContact OD1-N 3.47Å; N93-K95 PolarHBondContact O-N 3.29Å; N93-K95 VanDerWaalsContact O-N 3.09Å
94G82.3Confident91.9Very high33 Ų3378.1 Ų78.134%0.3441%0.405SS..THydrogen-bonded Turntrans76.7-10.8177.700000114.7L66 S92L66-G94 WeakPolarHBondContact O-CA 3.11Å; L66-G94 PolarHBondContact O-N 2.89Å; S92-G94 PolarHBondContact O-N 2.92Å
95K90.7Very high90.5Very high148 Ų14878.3 Ų78.364%0.64342%0.421SS*.EExtended strand (participates in β ladder)trans-103.8129.6179-63.9-177.5-177.2177.40111.4C68 S92 N93 H97C68-K95 VanDerWaalsContact SG-C 3.51Å; C68-K95 PolarHBondContact SG-O 3.4Å; C68-K95 VanDerWaalsContact SG-O 3.33Å; S92-K95 PolarHBondContact N-O 2.77Å; S92-K95 PolarHBondContact O-N 2.91Å; N93-K95 PolarHBondContact O-N 3.29Å; N93-K95 VanDerWaalsContact O-N 3.09Å; K95-H97 PolarHBondContact O-CD2 3.06Å
96V95.1Very high89Confident49 Ų4983 Ų8330%0.29744%0.441SS..EExtended strand (participates in β ladder)trans-83.3119.1173.7178.40000109.1C68 Y70 W81 C89C68-V96 HydrophobicContact CB-CG2 3.65Å; Y70-V96 HydrophobicContact CD2-CG1 4.08Å; Y70-V96 HydrophobicContact CD2-CG2 4.26Å; W81-V96 HydrophobicContact CH2-CB 4.4Å; W81-V96 HydrophobicContact CH2-CG1 3.71Å; W81-V96 HydrophobicContact CH2-CG2 4.05Å; W81-V96 HydrophobicContact CZ2-CG1 3.57Å; W81-V96 HydrophobicContact CZ2-CG2 4.3Å; C89-V96 HydrophobicContact CB-CG1 4.31Å
97H96.5Very high87.7Confident98 Ų9890.2 Ų90.245%0.45447%0.47SS..EExtended strand (participates in β ladder)trans-108.2108.7174.7-63.8-83.1000110.1C89 K90 S92 K95C89-H97 CarbonylContact C-O 3.52Å; C89-H97 VanDerWaalsContact CA-O 3.26Å; C89-H97 WeakPolarHBondContact CA-O 3.19Å; K90-H97 PolarHBondContact N-O 2.05Å; K90-H97 PolarHBondContact O-N 3.11Å; S92-H97 VanDerWaalsContact CB-CD2 3.41Å; S92-H97 WeakPolarHBondContact CB-CD2 3Å; K95-H97 PolarHBondContact O-CD2 3.06Å
98C96.8Very high87.2Confident58 Ų5899.2 Ų99.239%0.39251%0.508SS..EExtended strand (participates in β ladder)trans-105.9128177.2-63.30000111.1T87 K88 C89T87-C98 HydrophobicContact CG2-CB 3.82Å; K88-C98 WeakPolarHBondContact O-CA 3.47Å; C89-C98 HydrophobicContact CB-CB 4.13Å; C89-C98 WeakPolarHBondContact CB-SG 3.38Å; C89-C98 WeakPolarHBondContact SG-CB 3.35Å; C89-C98 CovalentContact SG-SG 2.05Å; C89-C98 PolarHBondContact SG-SG 3.35Å
99V95.7Very high86.9Confident109 Ų10994.7 Ų94.766%0.66149%0.492SS*.EExtended strand (participates in β ladder)trans-110.7120.3173.7-177.10000108.2K88K88-V99 PolarHBondContact N-O 3.18Å; K88-V99 PolarHBondContact O-N 2.8Å
100R94.5Very high86.6Confident171 Ų17198.6 Ų98.665%0.64552%0.517SS*.EExtended strand (participates in β ladder)trans-91.3122.3173.6-170.6177.3-177.3124.7-2.7109.4C86 R102C86-R100 HydrophobicContact CB-CG 4.11Å; C86-R100 CarbonylContact O-C 3.54Å; C86-R100 WeakPolarHBondContact O-CA 2.99Å; R100-R102 PolarHBondContact O-N 2.84Å
101Q92.2Very high86.1Confident115 Ų115101.8 Ų101.854%0.53753%0.534SS..PPolyproline II helixtrans-61.2122.6169.3177.3176.1-19.100108.7C86 C122C86-Q101 PolarHBondContact O-N 3.42Å; Q101-C122 HydrophobicContact CG-CB 4.48Å
102R88.7Confident85.9Confident233 Ų233105.9 Ų105.988%0.87956%0.555SS**PPolyproline II helixtrans-85.5122.7167.7-66.2-177.5-178161.30.2107.5R100R100-R102 PolarHBondContact O-N 2.84Å
103C86.6Confident85.9Confident50 Ų50107.8 Ų107.834%0.33856%0.555SS.*PPolyproline II helixtrans-66.8140166.3-57.70000107.8G105 C122 C123C103-G105 PolarHBondContact O-N 2.04Å; C103-C122 VanDerWaalsContact SG-SG 3.65Å; C103-C123 WeakPolarHBondContact CA-SG 3.26Å; C103-C123 HydrophobicContact CB-CB 3.81Å; C103-C123 WeakPolarHBondContact CB-SG 2.98Å; C103-C123 WeakPolarHBondContact SG-CA 3.41Å; C103-C123 WeakPolarHBondContact SG-CB 3.1Å; C103-C123 CovalentContact SG-SG 2.04Å; C103-C123 PolarHBondContact SG-SG 3.34Å
104A78.7Confident86.2Confident79 Ų79106.3 Ų106.365%0.65355%0.55SS**  trans-52.2109172.100000107.2D106A104-D106 PolarHBondContact O-N 2.04Å
105G62.9Low86.7Confident64 Ų64108.2 Ų108.266%0.6656%0.558SS**THydrogen-bonded Turntrans-52.4129.9-166.300000110.7C103 K107C103-G105 PolarHBondContact O-N 2.04Å; G105-K107 PolarHBondContact O-N 2.97Å
106D60.9Low86.6Confident159 Ų159105.5 Ų105.585%0.8555%0.546SS*.THydrogen-bonded Turntrans34.747.7163-55.7-30.6000116.2A104 K108A104-D106 PolarHBondContact O-N 2.04Å; D106-K108 PolarHBondContact O-N 3.33Å
107K67.7Low86.4Confident175 Ų175108.6 Ų108.676%0.76157%0.568SS**  trans-61.497.2159.6-75.1-165.7-179.9-174.40105.8G105 C109G105-K107 PolarHBondContact O-N 2.97Å; K107-C109 PolarHBondContact O-N 2.98Å
108K85Confident86Confident201 Ų201106.1 Ų106.187%0.87456%0.559SS**PPolyproline II helixtrans-49119.3171.5-73.7-175.7-179177.60105.3D106D106-K108 PolarHBondContact O-N 3.33Å
109C89.7Confident85.7Confident27 Ų27109.4 Ų109.418%0.18258%0.58CS.*PPolyproline II helixtrans-54.5148.1177.4-67.40000108.8K107 S115 C126K107-C109 PolarHBondContact O-N 2.98Å; C109-S115 PolarHBondContact SG-N 3.06Å; C109-S115 VanDerWaalsContact SG-N 3.41Å; C109-C126 WeakPolarHBondContact CA-SG 3.39Å; C109-C126 HydrophobicContact CB-CB 3.74Å; C109-C126 WeakPolarHBondContact CB-SG 2.95Å; C109-C126 WeakPolarHBondContact SG-CA 3.38Å; C109-C126 WeakPolarHBondContact SG-CB 3.04Å; C109-C126 CovalentContact SG-SG 2.04Å; C109-C126 PolarHBondContact SG-SG 3.24Å
110P90.2Very high85.4Confident83 Ų83107.1 Ų107.154%0.53958%0.578SS.*PPolyproline II helixtrans-49159.7173.2-2634.1000111.3D112 Y113P110-D112 PolarHBondContact O-N 3.38Å; P110-Y113 HydrophobicContact CB-CD2 4.05Å; P110-Y113 WeakPolarHBondContact O-CB 3.41Å; P110-Y113 PolarHBondContact O-N 2.79Å
111Q86.9Confident85.2Confident169 Ų169104.1 Ų104.179%0.7957%0.572SS**THydrogen-bonded Turntrans-50.2139.2171.3-174.1173.7-21.700109.8Y113Q111-Y113 WeakPolarHBondContact O-CD2 3.31Å; Q111-Y113 PolarHBondContact O-N 3.3Å
112D86.4Confident85.2Confident86 Ų8699.8 Ų99.846%0.4655%0.554SS.*THydrogen-bonded Turntrans68.57.3-174.4-49.7-38.2000116.8P110 K129P110-D112 PolarHBondContact O-N 3.38Å; D112-K129 WeakPolarHBondContact O-CB 3.27Å; D112-K129 VanDerWaalsContact O-CG 3.31Å; D112-K129 WeakPolarHBondContact O-CG 3.25Å; D112-K129 PolarHBondContact O-N 2.96Å
113Y92.4Very high85.2Confident91 Ų9190 Ų9036%0.35752%0.521SS..EExtended strand (participates in β ladder)trans-110.7151.8170.4-70.8-111000111.5P110 Q111 C126 V127 E128 K129P110-Y113 HydrophobicContact CB-CD2 4.05Å; P110-Y113 WeakPolarHBondContact O-CB 3.41Å; P110-Y113 PolarHBondContact O-N 2.79Å; Q111-Y113 WeakPolarHBondContact O-CD2 3.31Å; Q111-Y113 PolarHBondContact O-N 3.3Å; Y113-C126 HydrophobicContact CD1-CB 4.35Å; Y113-V127 CarbonylContact C-O 3.57Å; Y113-V127 VanDerWaalsContact CA-O 3.28Å; Y113-V127 WeakPolarHBondContact CA-O 3.41Å; Y113-E128 HydrophobicContact CD1-CB 4.12Å; Y113-E128 HydrophobicContact CE1-CB 3.78Å; Y113-E128 HydrophobicContact CE2-CB 4.47Å; Y113-E128 HydrophobicContact CE2-CG 4.49Å; Y113-K129 WeakPolarHBondContact O-CE 3.29Å
114S90.8Very high85.4Confident35 Ų3590.4 Ų90.425%0.24552%0.524CS..EExtended strand (participates in β ladder)trans-129.3141.5175.861.10000110.6K116 V127S114-K116 PolarHBondContact O-N 2.86Å; S114-V127 PolarHBondContact N-O 3.29Å; S114-V127 PolarHBondContact O-N 2.98Å
115S91.5Very high86Confident73 Ų7389.4 Ų89.451%0.5151%0.51SS..EExtended strand (participates in β ladder)trans-66.9120172.7-169.90000109.6C109 S124C109-S115 PolarHBondContact SG-N 3.06Å; C109-S115 VanDerWaalsContact SG-N 3.41Å; S115-S124 WeakPolarHBondContact OG-CB 3.04Å; S115-S124 PolarHBondContact OG-OG 2.89Å
116K90.3Very high87.4Confident90 Ų9089.1 Ų89.139%0.39150%0.497SS..EExtended strand (participates in β ladder)trans-122.1135.4173.5-75.3-161.2-163.6173.50111.8S114 S124 V125 V127S114-K116 PolarHBondContact O-N 2.86Å; K116-S124 VanDerWaalsContact O-CA 3.24Å; K116-S124 WeakPolarHBondContact O-CA 3.43Å; K116-S124 VanDerWaalsContact O-CB 3.26Å; K116-S124 WeakPolarHBondContact O-CB 3.45Å; K116-V125 PolarHBondContact N-O 2.7Å; K116-V125 PolarHBondContact O-N 2.98Å; K116-V127 HydrophobicContact CB-CG1 4.44Å; K116-V127 HydrophobicContact CB-CG2 3.94Å; K116-V127 HydrophobicContact CD-CG2 3.47Å; K116-V127 VanDerWaalsContact CD-CG2 3.47Å; K116-V127 HydrophobicContact CG-CG2 3.51Å
117P89.2Confident88.9Confident114 Ų11483.7 Ų83.774%0.7447%0.469SS*.  trans-68140.5172.129.4-33.5000110.1
118V88.8Confident90.1Very high46 Ų4677.2 Ų77.228%0.27944%0.442SS..  trans-108.4125.2174.5-176.50000108.3G120 Q121 V125V118-G120 PolarHBondContact O-N 2.73Å; V118-Q121 HydrophobicContact CB-CB 4.13Å; V118-Q121 HydrophobicContact CB-CG 4.04Å; V118-Q121 HydrophobicContact CG1-CG 3.98Å; V118-Q121 PolarHBondContact O-N 3.31Å; V118-V125 HydrophobicContact CG2-CB 4.44Å; V118-V125 HydrophobicContact CG2-CG1 4.12Å; V118-V125 HydrophobicContact CG2-CG2 3.54Å
119P91.1Very high90.6Very high127 Ų12772.5 Ų72.583%0.82542%0.422SS*.THydrogen-bonded Turntrans-51.7131177.3-27.935.5000112Q121P119-Q121 VanDerWaalsContact C-N 3.29Å; P119-Q121 PolarHBondContact O-N 2.04Å
120G89.5Confident90.9Very high61 Ų6174.7 Ų74.763%0.62943%0.429SS*.THydrogen-bonded Turntrans79.8-3.9-179.800000116.1V118V118-G120 PolarHBondContact O-N 2.73Å
121Q90.2Very high91.2Very high108 Ų10871.3 Ų71.351%0.50541%0.408SS..  trans-104149.7175.2-59.1-168.911.300111.7S85 V118 P119S85-Q121 VanDerWaalsContact CB-O 3.29Å; S85-Q121 WeakPolarHBondContact CB-O 3.02Å; V118-Q121 HydrophobicContact CB-CB 4.13Å; V118-Q121 HydrophobicContact CB-CG 4.04Å; V118-Q121 HydrophobicContact CG1-CG 3.98Å; V118-Q121 PolarHBondContact O-N 3.31Å; P119-Q121 VanDerWaalsContact C-N 3.29Å; P119-Q121 PolarHBondContact O-N 2.04Å
122C91Very high91.7Very high24 Ų2466.1 Ų66.116%0.16239%0.388CS..SBendtrans-68.8-47.5175.1177.80000111.8S85 C86 Q101 C103S85-C122 WeakPolarHBondContact O-CA 3.38Å; S85-C122 VanDerWaalsContact O-CB 3.27Å; S85-C122 WeakPolarHBondContact O-CB 3.34Å; S85-C122 PolarHBondContact O-N 2.9Å; C86-C122 WeakPolarHBondContact CA-SG 3.26Å; C86-C122 HydrophobicContact CB-CB 3.88Å; C86-C122 WeakPolarHBondContact CB-SG 3.24Å; C86-C122 WeakPolarHBondContact SG-CA 3.28Å; C86-C122 WeakPolarHBondContact SG-CB 3.2Å; C86-C122 PolarHBondContact SG-O 3.01Å; C86-C122 VanDerWaalsContact SG-O 3.33Å; C86-C122 CovalentContact SG-SG 2.04Å; C86-C122 PolarHBondContact SG-SG 2.95Å; Q101-C122 HydrophobicContact CG-CB 4.48Å; C103-C122 VanDerWaalsContact SG-SG 3.65Å
123C89.9Confident92.3Very high27 Ų2762 Ų6218%0.18237%0.366CS..SBendtrans-103.3142.5-168.2-57.40000111.2C103C103-C123 WeakPolarHBondContact CA-SG 3.26Å; C103-C123 HydrophobicContact CB-CB 3.81Å; C103-C123 WeakPolarHBondContact CB-SG 2.98Å; C103-C123 WeakPolarHBondContact SG-CA 3.41Å; C103-C123 WeakPolarHBondContact SG-CB 3.1Å; C103-C123 CovalentContact SG-SG 2.04Å; C103-C123 PolarHBondContact SG-SG 3.34Å
124S90.9Very high92.6Very high59 Ų5959.2 Ų59.241%0.41336%0.36SS..  trans-68.8155.816954.50000110.7S115 K116S115-S124 WeakPolarHBondContact OG-CB 3.04Å; S115-S124 PolarHBondContact OG-OG 2.89Å; K116-S124 VanDerWaalsContact O-CA 3.24Å; K116-S124 WeakPolarHBondContact O-CA 3.43Å; K116-S124 VanDerWaalsContact O-CB 3.26Å; K116-S124 WeakPolarHBondContact O-CB 3.45Å
125V91.1Very high93Very high59 Ų5957.7 Ų57.736%0.35835%0.349SS..EExtended strand (participates in β ladder)trans-116.3149.3175.5-58.90000109.5K116 V118 V127K116-V125 PolarHBondContact N-O 2.7Å; K116-V125 PolarHBondContact O-N 2.98Å; V118-V125 HydrophobicContact CG2-CB 4.44Å; V118-V125 HydrophobicContact CG2-CG1 4.12Å; V118-V125 HydrophobicContact CG2-CG2 3.54Å; V125-V127 HydrophobicContact CG2-CG1 3.85Å; V125-V127 PolarHBondContact O-N 3.44Å
126C91.9Very high93.1Very high57 Ų5756 Ų5639%0.38534%0.338SS..EExtended strand (participates in β ladder)trans-76.5114.7172.1-67.50000109.2C109 Y113C109-C126 WeakPolarHBondContact CA-SG 3.39Å; C109-C126 HydrophobicContact CB-CB 3.74Å; C109-C126 WeakPolarHBondContact CB-SG 2.95Å; C109-C126 WeakPolarHBondContact SG-CA 3.38Å; C109-C126 WeakPolarHBondContact SG-CB 3.04Å; C109-C126 CovalentContact SG-SG 2.04Å; C109-C126 PolarHBondContact SG-SG 3.24Å; Y113-C126 HydrophobicContact CD1-CB 4.35Å
127V92.2Very high92.8Very high45 Ų4556.1 Ų56.127%0.27334%0.342SS..EExtended strand (participates in β ladder)trans-111.9146.3172.1-55.20000109.7Y113 S114 K116 V125Y113-V127 CarbonylContact C-O 3.57Å; Y113-V127 VanDerWaalsContact CA-O 3.28Å; Y113-V127 WeakPolarHBondContact CA-O 3.41Å; S114-V127 PolarHBondContact N-O 3.29Å; S114-V127 PolarHBondContact O-N 2.98Å; K116-V127 HydrophobicContact CB-CG1 4.44Å; K116-V127 HydrophobicContact CB-CG2 3.94Å; K116-V127 HydrophobicContact CD-CG2 3.47Å; K116-V127 VanDerWaalsContact CD-CG2 3.47Å; K116-V127 HydrophobicContact CG-CG2 3.51Å; V125-V127 HydrophobicContact CG2-CG1 3.85Å; V125-V127 PolarHBondContact O-N 3.44Å
128E93.4Very high92.8Very high39 Ų3954.8 Ų54.818%0.18233%0.329CS..EExtended strand (participates in β ladder)trans-61.6138.8175.6-172.3176.6177.100110.2Y113 P264 K267Y113-E128 HydrophobicContact CD1-CB 4.12Å; Y113-E128 HydrophobicContact CE1-CB 3.78Å; Y113-E128 HydrophobicContact CE2-CB 4.47Å; Y113-E128 HydrophobicContact CE2-CG 4.49Å; E128-P264 HydrophobicContact CB-CB 4.09Å; E128-P264 HydrophobicContact CB-CG 3.61Å; E128-P264 HydrophobicContact CG-CB 4.15Å; E128-P264 HydrophobicContact CG-CG 3.79Å; E128-P264 WeakPolarHBondContact O-CG 3.28Å; E128-K267 WeakPolarHBondContact OE1-CD 3.4Å; E128-K267 WeakPolarHBondContact OE1-CE 3.27Å; E128-K267 IonicContact OE1-NZ 3.92Å; E128-K267 PolarHBondContact OE1-NZ 3.38Å
129K94.4Very high93Very high103 Ų10352.6 Ų52.645%0.44832%0.315SS..PPolyproline II helixtrans-69.1155.4-178.6-69.9176.8-170.6175.30110.6D112 Y113D112-K129 WeakPolarHBondContact O-CB 3.27Å; D112-K129 VanDerWaalsContact O-CG 3.31Å; D112-K129 WeakPolarHBondContact O-CG 3.25Å; D112-K129 PolarHBondContact O-N 2.96Å; Y113-K129 WeakPolarHBondContact O-CE 3.29Å
130E95.9Very high93.2Very high73 Ų7349 Ų4934%0.34129%0.288SS..PPolyproline II helixtrans-68.3144.6166.8-60.8-175.9166.400109.1K249 T261 V262 T263E130-K249 IonicContact OE1-NZ 2.64Å; E130-K249 PolarHBondContact OE1-NZ 3.18Å; E130-K249 IonicContact OE2-NZ 3.64Å; E130-K249 PolarHBondContact OE2-NZ 2.82Å; E130-T261 HydrophobicContact CB-CG2 3.65Å; E130-T261 HydrophobicContact CG-CG2 4.44Å; E130-T261 VanDerWaalsContact OE2-CG2 3.32Å; E130-T261 WeakPolarHBondContact OE2-CG2 3.19Å; E130-V262 WeakPolarHBondContact CA-O 3.38Å; E130-V262 WeakPolarHBondContact CB-O 3.44Å; E130-T263 HydrophobicContact CG-CG2 4.39Å
131A97.3Very high93.6Very high12 Ų1246.2 Ų46.210%0.09926%0.258CS..EExtended strand (participates in β ladder)trans-102.7140.3175.700000110.5F144 T261 V262 Y277A131-F144 HydrophobicContact CB-CB 4.21Å; A131-F144 HydrophobicContact CB-CD1 4.16Å; A131-T261 CarbonylContact O-C 3.49Å; A131-T261 WeakPolarHBondContact O-CA 3.31Å; A131-V262 HydrophobicContact CB-CG2 4.29Å; A131-V262 PolarHBondContact N-O 2.99Å; A131-V262 PolarHBondContact O-N 3.38Å; A131-Y277 HydrophobicContact CB-CD2 3.84Å; A131-Y277 HydrophobicContact CB-CE1 4.28Å; A131-Y277 HydrophobicContact CB-CE2 3.21Å; A131-Y277 VanDerWaalsContact CB-CZ 3.46Å
132T98.4Very high94Very high59 Ų5944.8 Ų44.836%0.36225%0.25SS..EExtended strand (participates in β ladder)trans-121.7123.8-178.1-62.80000110.4E259 V260 T261T132-E259 HydrophobicContact CG2-CB 4.15Å; T132-V260 CarbonylContact C-O 3.58Å; T132-V260 WeakPolarHBondContact CA-O 3.35Å; T132-T261 PolarHBondContact OG1-OG1 3.41Å
133C98.7Very high94.4Very high1 Ų143.7 Ų43.71%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-93.2141.51641720000109.2K142 F144 E259 V260 C274C133-K142 CarbonylContact C-O 3.34Å; C133-K142 VanDerWaalsContact CA-O 3.25Å; C133-K142 WeakPolarHBondContact CA-O 3.42Å; C133-K142 PolarHBondContact SG-O 2.99Å; C133-F144 HydrophobicContact CB-CD1 3.69Å; C133-F144 HydrophobicContact CB-CD2 4.38Å; C133-F144 HydrophobicContact CB-CE1 3.47Å; C133-F144 VanDerWaalsContact CB-CE1 3.47Å; C133-F144 HydrophobicContact CB-CE2 4.2Å; C133-F144 HydrophobicContact CB-CG 4.14Å; C133-F144 HydrophobicContact CB-CZ 3.75Å; C133-E259 CarbonylContact O-C 3.52Å; C133-E259 WeakPolarHBondContact O-CA 3.28Å; C133-V260 PolarHBondContact N-O 2.66Å; C133-V260 PolarHBondContact O-N 2.84Å; C133-C274 HydrophobicContact CB-CB 3.53Å; C133-C274 WeakPolarHBondContact CB-SG 3.04Å; C133-C274 VanDerWaalsContact SG-CA 3.59Å; C133-C274 WeakPolarHBondContact SG-CB 3.45Å; C133-C274 CovalentContact SG-SG 2.02Å; C133-C274 PolarHBondContact SG-SG 2.95Å
134S98.5Very high94.8Very high32 Ų3243.1 Ų43.122%0.22424%0.237CC..EExtended strand (participates in β ladder)trans-132.7147.7178.461.20000112.9Y141 K142 V258S134-Y141 CarbonylContact O-C 3.58Å; S134-Y141 WeakPolarHBondContact O-CA 3.32Å; S134-K142 PolarHBondContact N-O 3.2Å; S134-K142 PolarHBondContact O-N 3.12Å; S134-K142 WeakPolarHBondContact OG-CB 3.27Å; S134-V258 CarbonylContact C-O 3.52Å; S134-V258 VanDerWaalsContact CA-O 3.27Å; S134-V258 WeakPolarHBondContact CA-O 3.22Å
135V98.1Very high95.1Very high2 Ų241.6 Ų41.61%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-119.3115.1166.4-168.80000106.5L139 H140 Y141 L159 Q257 V258V135-L139 HydrophobicContact CG1-CD2 4.21Å; V135-H140 CarbonylContact C-O 3.49Å; V135-H140 WeakPolarHBondContact CA-O 3.1Å; V135-Y141 HydrophobicContact CB-CD1 4.38Å; V135-Y141 HydrophobicContact CB-CE1 4.21Å; V135-Y141 HydrophobicContact CG1-CD1 4.2Å; V135-Y141 HydrophobicContact CG1-CE1 3.79Å; V135-Y141 HydrophobicContact CG1-CE2 4.4Å; V135-Y141 HydrophobicContact CG2-CD1 3.6Å; V135-Y141 HydrophobicContact CG2-CE1 3.41Å; V135-Y141 VanDerWaalsContact CG2-CE1 3.41Å; V135-L159 HydrophobicContact CG2-CD1 3.64Å; V135-L159 HydrophobicContact CG2-CD2 4.25Å; V135-Q257 CarbonylContact O-C 3.57Å; V135-Q257 VanDerWaalsContact O-CA 3.24Å; V135-Q257 WeakPolarHBondContact O-CA 3.23Å; V135-V258 HydrophobicContact CB-CB 4.24Å; V135-V258 HydrophobicContact CB-CG2 4.19Å; V135-V258 HydrophobicContact CG2-CB 4.27Å; V135-V258 HydrophobicContact CG2-CG2 4.34Å; V135-V258 PolarHBondContact N-O 2.8Å; V135-V258 PolarHBondContact O-N 2.79Å
136S94.4Very high95.4Very high39 Ų3940.5 Ų40.527%0.27323%0.225SC..  trans-101.7-171.5177.959.30000111.3L139 H140S136-L139 PolarHBondContact O-N 2.98Å; S136-H140 PolarHBondContact N-O 2.98Å; S136-H140 WeakPolarHBondContact OG-CB 3.38Å; S136-H140 PolarHBondContact OG-O 2.99Å
137N84.5Confident95.7Very high92 Ų9240.6 Ų40.649%0.49222%0.218SC..G310 helixtrans-56.9149.5-179-65.4-18.6000111L139N137-L139 PolarHBondContact O-N 2.72Å; N137-L139 VanDerWaalsContact O-N 3.14Å
138D88.5Confident96Very high85 Ų8543.7 Ų43.746%0.45523%0.229SC..G310 helixtrans58.722-177-62.6-44000115.5H140 S189 Y190D138-H140 VanDerWaalsContact C-N 3.33Å; D138-H140 PolarHBondContact O-N 3.3Å; D138-S189 VanDerWaalsContact OD1-CA 3.24Å; D138-S189 WeakPolarHBondContact OD1-CA 3.36Å; D138-S189 WeakPolarHBondContact OD1-CB 3.22Å; D138-S189 PolarHBondContact OD1-OG 3.3Å; D138-Y190 VanDerWaalsContact CA-O 3.23Å; D138-Y190 WeakPolarHBondContact CA-O 3.49Å; D138-Y190 PolarHBondContact N-O 3.36Å; D138-Y190 VanDerWaalsContact N-O 3.1Å; D138-Y190 PolarHBondContact OD1-N 2.9Å
139L92.5Very high96.2Very high0 Ų042.5 Ų42.50%022%0.223CC..G310 helixtrans60.941.3175.8-53.8176.9000112.9V135 S136 N137 Y141 F151 N181 Y190V135-L139 HydrophobicContact CG1-CD2 4.21Å; S136-L139 PolarHBondContact O-N 2.98Å; N137-L139 PolarHBondContact O-N 2.72Å; N137-L139 VanDerWaalsContact O-N 3.14Å; L139-Y141 HydrophobicContact CB-CE2 3.94Å; L139-Y141 WeakPolarHBondContact O-CD2 3.27Å; L139-Y141 WeakPolarHBondContact O-CE2 3.38Å; L139-F151 WeakPolarHBondContact CB-O 3.32Å; L139-F151 WeakPolarHBondContact CD1-O 3.39Å; L139-F151 PolarHBondContact O-N 2.87Å; L139-F151 VanDerWaalsContact O-N 3.15Å; L139-N181 HydrophobicContact CD1-CB 3.8Å; L139-N181 WeakPolarHBondContact CD1-ND2 3.14Å; L139-N181 HydrophobicContact CD2-CB 4.2Å; L139-Y190 VanDerWaalsContact CD1-CB 3.41Å; L139-Y190 HydrophobicContact CD1-CD1 4.03Å; L139-Y190 HydrophobicContact CD1-CG 4Å
140H96.6Very high96.3Very high53 Ų5342 Ų4225%0.24523%0.225CC..EExtended strand (participates in β ladder)trans-78.1126.8163.2-179.484.7000109.6V135 S136 D138 E148 D150V135-H140 CarbonylContact C-O 3.49Å; V135-H140 WeakPolarHBondContact CA-O 3.1Å; S136-H140 PolarHBondContact N-O 2.98Å; S136-H140 WeakPolarHBondContact OG-CB 3.38Å; S136-H140 PolarHBondContact OG-O 2.99Å; D138-H140 VanDerWaalsContact C-N 3.33Å; D138-H140 PolarHBondContact O-N 3.3Å; H140-E148 IonicContact NE2-OE2 3.93Å; H140-D150 WeakPolarHBondContact CA-OD1 3.44Å; H140-D150 WeakPolarHBondContact CB-OD1 3.33Å; H140-D150 IonicContact CE1-OD1 2.79Å; H140-D150 IonicContact CG-OD1 2.73Å; H140-D150 IonicContact ND1-OD1 3.67Å; H140-D150 PolarHBondContact ND1-OD1 3.26Å
141Y98.4Very high96.2Very high1 Ų138.8 Ų38.80%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-111.9142.6-176-69.5-95.8000110.5S134 V135 L139 E148 Y149 F151 L159 N181 L273S134-Y141 CarbonylContact O-C 3.58Å; S134-Y141 WeakPolarHBondContact O-CA 3.32Å; V135-Y141 HydrophobicContact CB-CD1 4.38Å; V135-Y141 HydrophobicContact CB-CE1 4.21Å; V135-Y141 HydrophobicContact CG1-CD1 4.2Å; V135-Y141 HydrophobicContact CG1-CE1 3.79Å; V135-Y141 HydrophobicContact CG1-CE2 4.4Å; V135-Y141 HydrophobicContact CG2-CD1 3.6Å; V135-Y141 HydrophobicContact CG2-CE1 3.41Å; V135-Y141 VanDerWaalsContact CG2-CE1 3.41Å; L139-Y141 HydrophobicContact CB-CE2 3.94Å; L139-Y141 WeakPolarHBondContact O-CD2 3.27Å; L139-Y141 WeakPolarHBondContact O-CE2 3.38Å; Y141-E148 CarbonylContact O-C 3.6Å; Y141-E148 VanDerWaalsContact O-CA 3.27Å; Y141-E148 WeakPolarHBondContact O-CA 3.06Å; Y141-Y149 VanDerWaalsContact CB-CE1 3.41Å; Y141-Y149 WeakPolarHBondContact CB-OH 3.11Å; Y141-Y149 WeakPolarHBondContact CD1-OH 3.35Å; Y141-Y149 HydrophobicContact CD2-CD2 4.3Å; Y141-Y149 AromaticContact CD2-CE2 3.62Å; Y141-Y149 HydrophobicContact CD2-CE2 3.62Å; Y141-Y149 AromaticContact CD2-CZ 3.91Å; Y141-Y149 HydrophobicContact CE2-CE2 4.45Å; Y141-Y149 HydrophobicContact CG-CE1 4.2Å; Y141-Y149 AromaticContact CG-CE2 3.76Å; Y141-Y149 HydrophobicContact CG-CE2 3.76Å; Y141-Y149 AromaticContact CG-CZ 3.52Å; Y141-Y149 VanDerWaalsContact CG-OH 3.28Å; Y141-Y149 PolarHBondContact N-O 2.86Å; Y141-Y149 PolarHBondContact O-N 2.85Å; Y141-F151 HydrophobicContact CD2-CB 4.13Å; Y141-F151 HydrophobicContact CE2-CB 3.88Å; Y141-F151 HydrophobicContact CE2-CD1 4.27Å; Y141-L159 HydrophobicContact CD1-CD1 4.28Å; Y141-L159 HydrophobicContact CE1-CD1 3.98Å; Y141-N181 PolarHBondContact OH-ND2 3.22Å; Y141-L273 HydrophobicContact CD1-CB 4.36Å; Y141-L273 HydrophobicContact CE1-CB 4.25Å; Y141-L273 HydrophobicContact CE1-CD1 3.7Å
142K98.6Very high95.8Very high78 Ų7841 Ų4134%0.33922%0.224SC..EExtended strand (participates in β ladder)trans-123.9122.4164.9-173.7171.2-170.91410109.1C133 S134 R147 E148C133-K142 CarbonylContact C-O 3.34Å; C133-K142 VanDerWaalsContact CA-O 3.25Å; C133-K142 WeakPolarHBondContact CA-O 3.42Å; C133-K142 PolarHBondContact SG-O 2.99Å; S134-K142 PolarHBondContact N-O 3.2Å; S134-K142 PolarHBondContact O-N 3.12Å; S134-K142 WeakPolarHBondContact OG-CB 3.27Å; K142-R147 CarbonylContact C-O 3.4Å; K142-R147 WeakPolarHBondContact CA-O 3.34Å; K142-E148 HydrophobicContact CB-CG 4.15Å; K142-E148 HydrophobicContact CD-CG 4.16Å; K142-E148 WeakPolarHBondContact CE-OE1 3.49Å; K142-E148 HydrophobicContact CG-CG 3.92Å; K142-E148 IonicContact NZ-OE1 2.78Å; K142-E148 PolarHBondContact NZ-OE1 2.94Å
143T98.6Very high95.4Very high1 Ų138.2 Ų38.21%0.00621%0.207CC..  trans-74.2170.4179.664.70000111.7D145 G146 R147 Y149 C274 D284T143-D145 PolarHBondContact O-N 2.64Å; T143-G146 PolarHBondContact O-N 2.7Å; T143-G146 VanDerWaalsContact O-N 3.12Å; T143-G146 PolarHBondContact OG1-N 3.26Å; T143-R147 HydrophobicContact CG2-CB 4.06Å; T143-R147 PolarHBondContact N-O 2.8Å; T143-R147 WeakPolarHBondContact OG1-CB 3.45Å; T143-R147 PolarHBondContact OG1-N 3.38Å; T143-R147 PolarHBondContact OG1-O 2.81Å; T143-Y149 HydrophobicContact CG2-CD1 4.44Å; T143-Y149 HydrophobicContact CG2-CE1 3.88Å; T143-C274 WeakPolarHBondContact CB-O 3.23Å; T143-D284 VanDerWaalsContact CB-OD2 3.25Å; T143-D284 WeakPolarHBondContact CB-OD2 3.41Å; T143-D284 HydrophobicContact CG2-CB 4.04Å; T143-D284 PolarHBondContact OG1-OD2 2.75Å
144F98.4Very high95.1Very high15 Ų1538.2 Ų38.27%0.06621%0.207CC..THydrogen-bonded Turntrans-61-30.7175.5-65.2-64.3000113.1A131 C133 G146 A160 V260 V262 L270 C274 Y277A131-F144 HydrophobicContact CB-CB 4.21Å; A131-F144 HydrophobicContact CB-CD1 4.16Å; C133-F144 HydrophobicContact CB-CD1 3.69Å; C133-F144 HydrophobicContact CB-CD2 4.38Å; C133-F144 HydrophobicContact CB-CE1 3.47Å; C133-F144 VanDerWaalsContact CB-CE1 3.47Å; C133-F144 HydrophobicContact CB-CE2 4.2Å; C133-F144 HydrophobicContact CB-CG 4.14Å; C133-F144 HydrophobicContact CB-CZ 3.75Å; F144-G146 VanDerWaalsContact C-N 3.32Å; F144-A160 HydrophobicContact CE2-CB 4.24Å; F144-A160 HydrophobicContact CZ-CB 4.28Å; F144-V260 HydrophobicContact CE1-CG1 4.4Å; F144-V260 WeakPolarHBondContact CE1-O 3.34Å; F144-V260 HydrophobicContact CZ-CB 4.48Å; F144-V260 HydrophobicContact CZ-CG1 4.09Å; F144-V262 HydrophobicContact CD1-CG2 3.83Å; F144-V262 HydrophobicContact CE1-CG1 4.17Å; F144-V262 HydrophobicContact CE1-CG2 3.65Å; F144-V262 HydrophobicContact CG-CG2 4.48Å; F144-V262 HydrophobicContact CZ-CG1 4.14Å; F144-V262 HydrophobicContact CZ-CG2 4.17Å; F144-L270 HydrophobicContact CD2-CD1 3.93Å; F144-L270 HydrophobicContact CE2-CD1 3.46Å; F144-L270 VanDerWaalsContact CE2-CD1 3.46Å; F144-L270 HydrophobicContact CZ-CD1 3.9Å; F144-C274 HydrophobicContact CD2-CB 3.66Å; F144-C274 WeakPolarHBondContact CD2-O 3.15Å; F144-C274 HydrophobicContact CE2-CB 3.3Å; F144-C274 HydrophobicContact CZ-CB 3.9Å; F144-C274 PolarHBondContact N-O 2.87Å; F144-C274 VanDerWaalsContact N-O 3.13Å; F144-Y277 HydrophobicContact CB-CD2 3.65Å; F144-Y277 HydrophobicContact CB-CG 3.85Å; F144-Y277 HydrophobicContact CG-CD2 4.45Å; F144-Y277 HydrophobicContact CG-CG 4.24Å
145D97.7Very high94.9Very high28 Ų2837 Ų3715%0.1520%0.198CC..THydrogen-bonded Turntrans-91.65.3179.9-59.2-37.3000112.7T143 N276 Y277 N278 S279 A281T143-D145 PolarHBondContact O-N 2.64Å; D145-N276 PolarHBondContact OD2-OD1 3.47Å; D145-Y277 WeakPolarHBondContact OD2-CA 3.26Å; D145-Y277 PolarHBondContact OD2-N 2.73Å; D145-N278 PolarHBondContact OD1-N 2.93Å; D145-N278 PolarHBondContact OD2-N 3.42Å; D145-N278 PolarHBondContact OD2-OD1 3.18Å; D145-S279 VanDerWaalsContact CG-N 3.27Å; D145-S279 VanDerWaalsContact OD1-CA 3.23Å; D145-S279 WeakPolarHBondContact OD1-CA 3.25Å; D145-S279 PolarHBondContact OD1-N 3.15Å; D145-S279 PolarHBondContact OD2-N 3.33Å; D145-A281 HydrophobicContact CB-CB 4.39Å
146G97.4Very high94.8Very high36 Ų3639.9 Ų39.937%0.37121%0.209SC..  trans91.27.117100000115.7T143 F144 E148T143-G146 PolarHBondContact O-N 2.7Å; T143-G146 VanDerWaalsContact O-N 3.12Å; T143-G146 PolarHBondContact OG1-N 3.26Å; F144-G146 VanDerWaalsContact C-N 3.32Å; G146-E148 PolarHBondContact O-N 3.05Å
147R98Very high95Very high59 Ų5938.1 Ų38.122%0.22320%0.196CC..  trans-70.3127.3173.6-170.5-175.5-169.6136-6.2110.5K142 T143 A281 K282 D284 F285K142-R147 CarbonylContact C-O 3.4Å; K142-R147 WeakPolarHBondContact CA-O 3.34Å; T143-R147 HydrophobicContact CG2-CB 4.06Å; T143-R147 PolarHBondContact N-O 2.8Å; T143-R147 WeakPolarHBondContact OG1-CB 3.45Å; T143-R147 PolarHBondContact OG1-N 3.38Å; T143-R147 PolarHBondContact OG1-O 2.81Å; R147-A281 HydrophobicContact CB-CB 4.05Å; R147-A281 WeakPolarHBondContact CD-O 3.46Å; R147-A281 PolarHBondContact NH1-O 2.82Å; R147-K282 PolarHBondContact NH1-O 2.88Å; R147-D284 HydrophobicContact CB-CB 4.37Å; R147-D284 WeakPolarHBondContact CB-OD2 3.43Å; R147-F285 VanDerWaalsContact NH2-CE2 3.33Å
148E98.2Very high95.6Very high109 Ų10934 Ų3451%0.50917%0.174SC..EExtended strand (participates in β ladder)trans-103.1139.5177.2-68.5176.7-169.500111.3H140 Y141 K142 G146H140-E148 IonicContact NE2-OE2 3.93Å; Y141-E148 CarbonylContact O-C 3.6Å; Y141-E148 VanDerWaalsContact O-CA 3.27Å; Y141-E148 WeakPolarHBondContact O-CA 3.06Å; K142-E148 HydrophobicContact CB-CG 4.15Å; K142-E148 HydrophobicContact CD-CG 4.16Å; K142-E148 WeakPolarHBondContact CE-OE1 3.49Å; K142-E148 HydrophobicContact CG-CG 3.92Å; K142-E148 IonicContact NZ-OE1 2.78Å; K142-E148 PolarHBondContact NZ-OE1 2.94Å; G146-E148 PolarHBondContact O-N 3.05Å
149Y98Very high96.1Very high15 Ų1530 Ų306%0.05915%0.152CC..EExtended strand (participates in β ladder)trans-164.9155.6178.670.4-86.1000113.6Y141 T143 F151 L273 F285 A296 F299Y141-Y149 VanDerWaalsContact CB-CE1 3.41Å; Y141-Y149 WeakPolarHBondContact CB-OH 3.11Å; Y141-Y149 WeakPolarHBondContact CD1-OH 3.35Å; Y141-Y149 HydrophobicContact CD2-CD2 4.3Å; Y141-Y149 AromaticContact CD2-CE2 3.62Å; Y141-Y149 HydrophobicContact CD2-CE2 3.62Å; Y141-Y149 AromaticContact CD2-CZ 3.91Å; Y141-Y149 HydrophobicContact CE2-CE2 4.45Å; Y141-Y149 HydrophobicContact CG-CE1 4.2Å; Y141-Y149 AromaticContact CG-CE2 3.76Å; Y141-Y149 HydrophobicContact CG-CE2 3.76Å; Y141-Y149 AromaticContact CG-CZ 3.52Å; Y141-Y149 VanDerWaalsContact CG-OH 3.28Å; Y141-Y149 PolarHBondContact N-O 2.86Å; Y141-Y149 PolarHBondContact O-N 2.85Å; T143-Y149 HydrophobicContact CG2-CD1 4.44Å; T143-Y149 HydrophobicContact CG2-CE1 3.88Å; Y149-F151 HydrophobicContact CD2-CB 4.18Å; Y149-F151 HydrophobicContact CE2-CB 3.87Å; Y149-L273 WeakPolarHBondContact OH-CB 3.4Å; Y149-L273 PolarHBondContact OH-O 2.84Å; Y149-F285 AromaticContact CD1-CE1 3.54Å; Y149-F285 HydrophobicContact CD1-CE1 3.54Å; Y149-F285 AromaticContact CD1-CZ 3.84Å; Y149-F285 HydrophobicContact CD1-CZ 3.84Å; Y149-F285 HydrophobicContact CD2-CE1 4.33Å; Y149-F285 HydrophobicContact CD2-CZ 4.13Å; Y149-F285 AromaticContact CE1-CE1 3.88Å; Y149-F285 HydrophobicContact CE1-CE1 3.88Å; Y149-F285 AromaticContact CG-CE1 3.79Å; Y149-F285 HydrophobicContact CG-CE1 3.79Å; Y149-F285 AromaticContact CG-CZ 3.61Å; Y149-F285 HydrophobicContact CG-CZ 3.61Å; Y149-A296 HydrophobicContact CD2-CB 3.94Å; Y149-A296 HydrophobicContact CG-CB 4.41Å; Y149-F299 HydrophobicContact CE1-CE1 4.03Å; Y149-F299 HydrophobicContact CE2-CD1 4.26Å; Y149-F299 HydrophobicContact CE2-CE1 4.18Å; Y149-F299 AromaticContact CZ-CE1 3.64Å
150D95.8Very high96.3Very high93 Ų9330 Ų3050%0.49715%0.153SC..EExtended strand (participates in β ladder)trans-102.1136.5175.8-57-39.2000112.3H140H140-D150 WeakPolarHBondContact CA-OD1 3.44Å; H140-D150 WeakPolarHBondContact CB-OD1 3.33Å; H140-D150 IonicContact CE1-OD1 2.79Å; H140-D150 IonicContact CG-OD1 2.73Å; H140-D150 IonicContact ND1-OD1 3.67Å; H140-D150 PolarHBondContact ND1-OD1 3.26Å
151F94Very high96.2Very high4 Ų429.2 Ų29.22%0.01815%0.149CC..  trans-143.594175.5175.1-118.6000112.4L139 Y141 Y149 G153 Y157 L273 R301L139-F151 WeakPolarHBondContact CB-O 3.32Å; L139-F151 WeakPolarHBondContact CD1-O 3.39Å; L139-F151 PolarHBondContact O-N 2.87Å; L139-F151 VanDerWaalsContact O-N 3.15Å; Y141-F151 HydrophobicContact CD2-CB 4.13Å; Y141-F151 HydrophobicContact CE2-CB 3.88Å; Y141-F151 HydrophobicContact CE2-CD1 4.27Å; Y149-F151 HydrophobicContact CD2-CB 4.18Å; Y149-F151 HydrophobicContact CE2-CB 3.87Å; F151-G153 PolarHBondContact O-N 3.44Å; F151-Y157 AromaticContact CE1-CD1 3.86Å; F151-Y157 HydrophobicContact CE1-CD1 3.86Å; F151-Y157 HydrophobicContact CE1-CD2 4.06Å; F151-Y157 AromaticContact CE1-CE1 3.57Å; F151-Y157 HydrophobicContact CE1-CE1 3.57Å; F151-Y157 AromaticContact CE1-CE2 3.75Å; F151-Y157 HydrophobicContact CE1-CE2 3.75Å; F151-Y157 HydrophobicContact CE1-CG 4.12Å; F151-Y157 AromaticContact CE1-CZ 3.5Å; F151-Y157 VanDerWaalsContact CE1-CZ 3.5Å; F151-Y157 HydrophobicContact CZ-CD1 4.29Å; F151-Y157 AromaticContact CZ-CE1 3.58Å; F151-Y157 HydrophobicContact CZ-CE1 3.58Å; F151-Y157 HydrophobicContact CZ-CE2 4.21Å; F151-Y157 AromaticContact CZ-CZ 3.53Å; F151-L273 HydrophobicContact CD1-CD2 4.44Å; F151-R301 HydrophobicContact CE2-CG 4.02Å; F151-R301 HydrophobicContact CZ-CG 4.17Å
152P89.1Confident95.9Very high59 Ų5929.8 Ų29.838%0.38315%0.152SC..  trans-80.248.3-177.233.1-36.4000113.3Y190P152-Y190 HydrophobicContact CB-CD1 4.32Å; P152-Y190 HydrophobicContact CB-CD2 3.78Å; P152-Y190 HydrophobicContact CB-CE1 4.25Å; P152-Y190 HydrophobicContact CB-CE2 3.73Å; P152-Y190 HydrophobicContact CB-CG 4.1Å; P152-Y190 WeakPolarHBondContact O-CE1 3.26Å
153G89.8Confident95.3Very high1 Ų127.6 Ų27.61%0.0115%0.146CC..  trans-76.5142.8179.200000112.5F151 Y157 N181F151-G153 PolarHBondContact O-N 3.44Å; G153-Y157 WeakPolarHBondContact CA-OH 3.43Å; G153-N181 WeakPolarHBondContact O-CB 3.47Å
154S92.2Very high94Very high1 Ų130.9 Ų30.91%0.00716%0.163CC..  trans-110.630.2-173.872.20000115.1N181 C311 K312 T313 D316S154-N181 CarbonylContact C-O 3.6Å; S154-N181 WeakPolarHBondContact CA-O 3.35Å; S154-C311 WeakPolarHBondContact O-CA 3.42Å; S154-K312 PolarHBondContact O-N 2.83Å; S154-K312 VanDerWaalsContact O-N 3.12Å; S154-K312 PolarHBondContact OG-N 3.44Å; S154-K312 VanDerWaalsContact OG-N 3.14Å; S154-T313 PolarHBondContact OG-N 3.3Å; S154-T313 PolarHBondContact OG-OG1 2.93Å; S154-D316 WeakPolarHBondContact CB-OD2 2.98Å; S154-D316 PolarHBondContact N-OD2 3.24Å; S154-D316 PolarHBondContact OG-OD2 2.74Å
155C94.3Very high92.1Very high5 Ų534.7 Ų34.73%0.03419%0.189CC..SBendtrans-124.3-163-172.9-42.20000111.1Y157 N181 R304 C311C155-Y157 HydrophobicContact CB-CE1 4.27Å; C155-Y157 HydrophobicContact CB-CE2 3.76Å; C155-Y157 WeakPolarHBondContact CB-OH 3.4Å; C155-Y157 PolarHBondContact SG-OH 3.45Å; C155-N181 PolarHBondContact O-N 2.81Å; C155-R304 HydrophobicContact CB-CG 3.94Å; C155-C311 HydrophobicContact CB-CB 4.14Å; C155-C311 WeakPolarHBondContact CB-SG 3.35Å; C155-C311 WeakPolarHBondContact SG-CB 3.42Å; C155-C311 CovalentContact SG-SG 2.02Å; C155-C311 PolarHBondContact SG-SG 3.21Å
156R96.6Very high90.1Very high64 Ų6440.8 Ų40.824%0.24222%0.222CC..EExtended strand (participates in β ladder)trans-98.3133.7167.8-63.3174.567.71770.9109.7V178 V179 R180 R304 V305R156-V178 HydrophobicContact CB-CG1 4.01Å; R156-V179 CarbonylContact C-O 3.52Å; R156-V179 VanDerWaalsContact CA-O 3.23Å; R156-V179 WeakPolarHBondContact CA-O 3.37Å; R156-R180 HydrophobicContact CG-CB 4.07Å; R156-R180 HydrophobicContact CG-CG 4.08Å; R156-R304 CarbonylContact O-C 3.57Å; R156-R304 WeakPolarHBondContact O-CA 3.36Å; R156-V305 HydrophobicContact CB-CG2 3.54Å; R156-V305 WeakPolarHBondContact O-CG2 3.39Å; R156-V305 PolarHBondContact O-N 2.88Å
157Y97.4Very high88Confident1 Ų141.5 Ų41.50%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-133.1144.8-176.8-58.2-80.6000111.3F151 G153 C155 L159 V178 V179 L273 G300 W303 R304F151-Y157 AromaticContact CE1-CD1 3.86Å; F151-Y157 HydrophobicContact CE1-CD1 3.86Å; F151-Y157 HydrophobicContact CE1-CD2 4.06Å; F151-Y157 AromaticContact CE1-CE1 3.57Å; F151-Y157 HydrophobicContact CE1-CE1 3.57Å; F151-Y157 AromaticContact CE1-CE2 3.75Å; F151-Y157 HydrophobicContact CE1-CE2 3.75Å; F151-Y157 HydrophobicContact CE1-CG 4.12Å; F151-Y157 AromaticContact CE1-CZ 3.5Å; F151-Y157 VanDerWaalsContact CE1-CZ 3.5Å; F151-Y157 HydrophobicContact CZ-CD1 4.29Å; F151-Y157 AromaticContact CZ-CE1 3.58Å; F151-Y157 HydrophobicContact CZ-CE1 3.58Å; F151-Y157 HydrophobicContact CZ-CE2 4.21Å; F151-Y157 AromaticContact CZ-CZ 3.53Å; G153-Y157 WeakPolarHBondContact CA-OH 3.43Å; C155-Y157 HydrophobicContact CB-CE1 4.27Å; C155-Y157 HydrophobicContact CB-CE2 3.76Å; C155-Y157 WeakPolarHBondContact CB-OH 3.4Å; C155-Y157 PolarHBondContact SG-OH 3.45Å; Y157-L159 PolarHBondContact O-N 3.46Å; Y157-V178 CarbonylContact O-C 3.57Å; Y157-V178 VanDerWaalsContact O-CA 3.29Å; Y157-V178 WeakPolarHBondContact O-CA 3.28Å; Y157-V178 WeakPolarHBondContact O-CG1 3.37Å; Y157-V179 PolarHBondContact N-O 3.13Å; Y157-V179 PolarHBondContact O-N 3.43Å; Y157-L273 HydrophobicContact CG-CD1 4.22Å; Y157-G300 WeakPolarHBondContact CD1-O 3.41Å; Y157-W303 WeakPolarHBondContact CA-O 3.41Å; Y157-R304 HydrophobicContact CD1-CB 3.97Å; Y157-R304 HydrophobicContact CD1-CG 4.43Å; Y157-R304 HydrophobicContact CE1-CB 3.76Å; Y157-R304 HydrophobicContact CE1-CG 4.02Å
158I97.6Very high85.9Confident5 Ų545.8 Ų45.83%0.02625%0.254CS..EExtended strand (participates in β ladder)trans-72.3113.1171.2-60.8176000107.3Q161 L176 L273 W303 V305I158-Q161 HydrophobicContact CG2-CB 4.26Å; I158-Q161 HydrophobicContact CG2-CG 3.95Å; I158-L176 HydrophobicContact CD1-CD1 4.44Å; I158-L176 HydrophobicContact CG1-CD1 4.09Å; I158-L176 HydrophobicContact CG2-CD1 3.91Å; I158-L273 WeakPolarHBondContact O-CG 3.4Å; I158-L273 PolarHBondContact O-N 2.76Å; I158-W303 HydrophobicContact CB-CE3 4.15Å; I158-W303 HydrophobicContact CD1-CE3 4.27Å; I158-W303 HydrophobicContact CG2-CE3 4.46Å; I158-W303 PolarHBondContact N-O 2.69Å; I158-V305 HydrophobicContact CD1-CG1 3.71Å; I158-V305 HydrophobicContact CG1-CG1 3.45Å; I158-V305 VanDerWaalsContact CG1-CG1 3.45Å
159L98.4Very high83.9Confident1 Ų150.6 Ų50.61%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-77.1-54.7176-176.162.2000109.7V135 Y141 Y157 I177 V179 V258 V260 G272 L273 C274V135-L159 HydrophobicContact CG2-CD1 3.64Å; V135-L159 HydrophobicContact CG2-CD2 4.25Å; Y141-L159 HydrophobicContact CD1-CD1 4.28Å; Y141-L159 HydrophobicContact CE1-CD1 3.98Å; Y157-L159 PolarHBondContact O-N 3.46Å; L159-I177 HydrophobicContact CB-CB 4.43Å; L159-I177 HydrophobicContact CB-CG2 4.05Å; L159-I177 HydrophobicContact CD2-CG2 4.05Å; L159-I177 PolarHBondContact N-O 2.78Å; L159-V179 HydrophobicContact CB-CG1 4.05Å; L159-V179 HydrophobicContact CB-CG2 4.37Å; L159-V179 HydrophobicContact CD2-CG1 3.76Å; L159-V179 HydrophobicContact CG-CG1 4.35Å; L159-V258 HydrophobicContact CD2-CB 4.46Å; L159-V258 HydrophobicContact CD2-CG1 4.01Å; L159-V260 HydrophobicContact CD2-CG2 3.66Å; L159-V260 HydrophobicContact CG-CG2 4.47Å; L159-G272 CarbonylContact O-C 3.56Å; L159-L273 HydrophobicContact CD1-CB 4.18Å; L159-L273 PolarHBondContact O-N 2.85Å; L159-L273 VanDerWaalsContact O-N 3.08Å; L159-C274 WeakPolarHBondContact CD1-SG 3.37Å; L159-C274 VanDerWaalsContact CG-SG 3.55Å; L159-C274 WeakPolarHBondContact O-CB 3.41Å; L159-C274 PolarHBondContact O-N 2.85Å; L159-C274 PolarHBondContact O-SG 2.78Å
160A97.8Very high81.8Confident1 Ų156 Ų561%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-152.1142.7175.100000110.3F144 F175 I177 C274F144-A160 HydrophobicContact CE2-CB 4.24Å; F144-A160 HydrophobicContact CZ-CB 4.28Å; A160-F175 HydrophobicContact CB-CE2 4.35Å; A160-I177 PolarHBondContact O-N 3.22Å; A160-C274 HydrophobicContact CB-CB 4.39Å
161Q94.9Very high80.1Confident37 Ų3761.2 Ų61.217%0.17332%0.317CS..EExtended strand (participates in β ladder)trans-149.8164.6167.168.1175.311.400108.4I158 C163 P173 L176 L270 C271I158-Q161 HydrophobicContact CG2-CB 4.26Å; I158-Q161 HydrophobicContact CG2-CG 3.95Å; Q161-C163 WeakPolarHBondContact CG-SG 2.94Å; Q161-C163 PolarHBondContact NE2-SG 3.41Å; Q161-P173 HydrophobicContact CB-CB 4.33Å; Q161-P173 HydrophobicContact CB-CG 4.46Å; Q161-L176 HydrophobicContact CB-CB 4.46Å; Q161-L176 HydrophobicContact CB-CD1 3.96Å; Q161-L270 WeakPolarHBondContact O-CA 3.16Å; Q161-C271 PolarHBondContact N-O 2.8Å; Q161-C271 PolarHBondContact O-N 2.89Å
162E91.1Very high78.8Confident12 Ų1269.7 Ų69.76%0.05635%0.349CS..EExtended strand (participates in β ladder)trans-77.6133.6169.7-165.8173.517300110.9L164 P173 N174 R269E162-L164 HydrophobicContact CG-CD2 4.4Å; E162-L164 HydrophobicContact CG-CG 4.47Å; E162-P173 HydrophobicContact CB-CB 4.27Å; E162-N174 PolarHBondContact OE2-ND2 3.38Å; E162-R269 CarbonylContact C-O 3.44Å; E162-R269 WeakPolarHBondContact CA-O 3.45Å; E162-R269 HydrophobicContact CG-CB 4.48Å; E162-R269 WeakPolarHBondContact CG-O 3.27Å; E162-R269 IonicContact OE1-CZ 2.73Å; E162-R269 IonicContact OE1-NE 3.15Å; E162-R269 IonicContact OE1-NH1 2.66Å; E162-R269 IonicContact OE1-NH2 3.79Å; E162-R269 PolarHBondContact OE1-NH2 2.84Å
163C86.5Confident78Confident32 Ų3268.7 Ų68.722%0.21634%0.342CS..  trans-130.693.9-175.7-52.80000107.7Q161 P165 R269 C271Q161-C163 WeakPolarHBondContact CG-SG 2.94Å; Q161-C163 PolarHBondContact NE2-SG 3.41Å; C163-P165 WeakPolarHBondContact O-CD 3.13Å; C163-R269 PolarHBondContact N-O 3.28Å; C163-C271 HydrophobicContact CB-CB 3.73Å; C163-C271 WeakPolarHBondContact CB-SG 3.48Å; C163-C271 WeakPolarHBondContact SG-CB 3.36Å; C163-C271 PolarHBondContact SG-N 3.02Å; C163-C271 CovalentContact SG-SG 2Å; C163-C271 PolarHBondContact SG-SG 2Å
164L70.7Confident77.8Confident70 Ų7071.6 Ų71.637%0.36636%0.357SS..  trans-80.1120-178.8-64.7170.8000109.7E162 S167E162-L164 HydrophobicContact CG-CD2 4.4Å; E162-L164 HydrophobicContact CG-CG 4.47Å; L164-S167 WeakPolarHBondContact CB-OG 3.3Å; L164-S167 WeakPolarHBondContact CD1-OG 3.39Å
165P58.9Low77.9Confident95 Ų9571.5 Ų71.562%0.61736%0.357SS*.THydrogen-bonded Turntrans-61.6138.9165-1024.9000108.5C163 S167C163-P165 WeakPolarHBondContact O-CD 3.13Å; P165-S167 PolarHBondContact O-N 3.35Å
166N55.3Low77.9Confident157 Ų15772.6 Ų72.684%0.8436%0.362SS*.THydrogen-bonded Turntrans6619.8169.1-53.2-23.8000117.8V168N166-V168 PolarHBondContact O-N 2.78Å
167S53.7Low78Confident51 Ų5169.5 Ų69.536%0.35735%0.351SS..  trans-71.3101.5169.9-66.10000110.6L164 P165 R169L164-S167 WeakPolarHBondContact CB-OG 3.3Å; L164-S167 WeakPolarHBondContact CD1-OG 3.39Å; P165-S167 PolarHBondContact O-N 3.35Å; S167-R169 WeakPolarHBondContact CB-O 3.25Å; S167-R169 CarbonylContact O-C 3.52Å; S167-R169 PolarHBondContact O-N 3.48Å
168V54Low78Confident149 Ų14969.6 Ų69.690%0.90335%0.351SS*.SBendtrans-53.1-17.1177.6-1800000113N166N166-V168 PolarHBondContact O-N 2.78Å
169R55.2Low78Confident209 Ų20969.4 Ų69.479%0.78935%0.35SS*.SBendtrans-127.1137159.6-58-171.8-159.5-162.75.6108.4S167 R171S167-R169 WeakPolarHBondContact CB-O 3.25Å; S167-R169 CarbonylContact O-C 3.52Å; S167-R169 PolarHBondContact O-N 3.48Å; R169-R171 PolarHBondContact O-N 2.78Å
170P53.5Low77.9Confident129 Ų12972 Ų7284%0.83836%0.36SS*.  trans-65.986.7171.827-31.7000108.5R172P170-R172 PolarHBondContact O-N 2.98Å
171R60.6Low77.8Confident203 Ų20372 Ų7277%0.76636%0.36SS*.PPolyproline II helixtrans-57.2127.8163.8-88.9-172166.7159.1-2.6105.8R169R169-R171 PolarHBondContact O-N 2.78Å
172R67.7Low77.6Confident181 Ų18171.5 Ų71.568%0.68336%0.357SS*.PPolyproline II helixtrans-54.5135.6172.4-70.4-171.1179-156.10.4107.3P170 N174 Q200P170-R172 PolarHBondContact O-N 2.98Å; R172-N174 PolarHBondContact O-N 2.79Å; R172-Q200 HydrophobicContact CB-CG 4.43Å; R172-Q200 PolarHBondContact O-NE2 2.84Å
173P72.9Confident77.6Confident38 Ų3872.9 Ų72.925%0.24737%0.367CS..PPolyproline II helixtrans-59.4143.4-178.529.1-36.8000109Q161 E162 F175 L176 Q200Q161-P173 HydrophobicContact CB-CB 4.33Å; Q161-P173 HydrophobicContact CB-CG 4.46Å; E162-P173 HydrophobicContact CB-CB 4.27Å; P173-F175 WeakPolarHBondContact CB-O 3.49Å; P173-F175 PolarHBondContact O-N 3.49Å; P173-F175 VanDerWaalsContact O-N 3.16Å; P173-L176 HydrophobicContact CG-CB 4.22Å; P173-Q200 WeakPolarHBondContact O-CG 3.39Å
174N85.5Confident77.5Confident62 Ų6277.3 Ų77.333%0.33238%0.38SS..SBendtrans-52.6-38.3179.3-72.8-35000110.9E162 R172 Q200E162-N174 PolarHBondContact OE2-ND2 3.38Å; R172-N174 PolarHBondContact O-N 2.79Å; N174-Q200 VanDerWaalsContact OD1-CD 3.26Å; N174-Q200 PolarHBondContact OD1-NE2 3.13Å; N174-Q200 PolarHBondContact OD1-OE1 3.18Å
175F93.5Very high78Confident0 Ų079.2 Ų79.20%039%0.39CS..EExtended strand (participates in β ladder)trans-138.7152.2171.167.7-87.7000111.3A160 P173 I177 R198 L199 L244 P248 Y266 L270A160-F175 HydrophobicContact CB-CE2 4.35Å; P173-F175 WeakPolarHBondContact CB-O 3.49Å; P173-F175 PolarHBondContact O-N 3.49Å; P173-F175 VanDerWaalsContact O-N 3.16Å; F175-I177 HydrophobicContact CD2-CD1 4.11Å; F175-I177 HydrophobicContact CD2-CG1 4.04Å; F175-I177 HydrophobicContact CE2-CD1 4.22Å; F175-R198 CarbonylContact C-O 3.58Å; F175-R198 WeakPolarHBondContact CA-O 3.46Å; F175-L199 HydrophobicContact CB-CD2 4.21Å; F175-L244 HydrophobicContact CB-CD1 3.99Å; F175-P248 HydrophobicContact CD1-CG 4.14Å; F175-P248 HydrophobicContact CD2-CG 3.67Å; F175-P248 VanDerWaalsContact CE1-CD 3.42Å; F175-P248 HydrophobicContact CE1-CG 4.19Å; F175-P248 HydrophobicContact CE2-CG 3.71Å; F175-P248 HydrophobicContact CG-CG 3.88Å; F175-P248 HydrophobicContact CZ-CG 3.96Å; F175-Y266 HydrophobicContact CE1-CD1 4.23Å; F175-Y266 AromaticContact CE1-CE1 3.73Å; F175-Y266 HydrophobicContact CE1-CE1 3.73Å; F175-L270 HydrophobicContact CE1-CD2 4.36Å; F175-L270 HydrophobicContact CZ-CD2 3.71Å
176L95Very high78.7Confident27 Ų2783.4 Ų83.414%0.14141%0.407CS..EExtended strand (participates in β ladder)trans-135116.8169.5162.261.8000108.7I158 Q161 P173 V178 R198I158-L176 HydrophobicContact CD1-CD1 4.44Å; I158-L176 HydrophobicContact CG1-CD1 4.09Å; I158-L176 HydrophobicContact CG2-CD1 3.91Å; Q161-L176 HydrophobicContact CB-CB 4.46Å; Q161-L176 HydrophobicContact CB-CD1 3.96Å; P173-L176 HydrophobicContact CG-CB 4.22Å; L176-V178 HydrophobicContact CD1-CG2 3.74Å; L176-V178 HydrophobicContact CD2-CG2 4.24Å; L176-V178 HydrophobicContact CG-CG2 3.86Å; L176-R198 HydrophobicContact CB-CB 4.25Å; L176-R198 PolarHBondContact N-O 3.43Å; L176-R198 PolarHBondContact O-N 3.3Å
177I98Very high79.6Confident0 Ų077.3 Ų77.30%038%0.382CS..EExtended strand (participates in β ladder)trans-102120.8176.4-56.9168.1000108.7L159 A160 F175 V195 I197 P248 V250 V260L159-I177 HydrophobicContact CB-CB 4.43Å; L159-I177 HydrophobicContact CB-CG2 4.05Å; L159-I177 HydrophobicContact CD2-CG2 4.05Å; L159-I177 PolarHBondContact N-O 2.78Å; A160-I177 PolarHBondContact O-N 3.22Å; F175-I177 HydrophobicContact CD2-CD1 4.11Å; F175-I177 HydrophobicContact CD2-CG1 4.04Å; F175-I177 HydrophobicContact CE2-CD1 4.22Å; I177-V195 HydrophobicContact CG2-CG1 3.97Å; I177-I197 HydrophobicContact CG1-CG1 4.36Å; I177-I197 HydrophobicContact CG1-CG2 4.41Å; I177-P248 HydrophobicContact CD1-CB 4.35Å; I177-P248 HydrophobicContact CD1-CG 3.77Å; I177-V250 HydrophobicContact CD1-CG2 3.67Å; I177-V250 HydrophobicContact CG1-CG2 4.46Å; I177-V260 HydrophobicContact CD1-CG1 3.67Å; I177-V260 HydrophobicContact CD1-CG2 3.97Å
178V98Very high80.7Confident3 Ų380.4 Ų80.42%0.01840%0.399CS..EExtended strand (participates in β ladder)trans-120.9125.5178.8175.80000109.2R156 Y157 L176 S196 V305R156-V178 HydrophobicContact CB-CG1 4.01Å; Y157-V178 CarbonylContact O-C 3.57Å; Y157-V178 VanDerWaalsContact O-CA 3.29Å; Y157-V178 WeakPolarHBondContact O-CA 3.28Å; Y157-V178 WeakPolarHBondContact O-CG1 3.37Å; L176-V178 HydrophobicContact CD1-CG2 3.74Å; L176-V178 HydrophobicContact CD2-CG2 4.24Å; L176-V178 HydrophobicContact CG-CG2 3.86Å; V178-S196 PolarHBondContact N-O 3.46Å; V178-S196 PolarHBondContact O-N 3.16Å; V178-V305 HydrophobicContact CG1-CG2 3.76Å; V178-V305 HydrophobicContact CG2-CG2 4.47Å
179V97.8Very high82.2Confident0 Ų074.6 Ų74.60%037%0.365CS..EExtended strand (participates in β ladder)trans-95.6143.9171.2-68.10000110.3R156 Y157 L159 T192 H194 V195 V258 L273R156-V179 CarbonylContact C-O 3.52Å; R156-V179 VanDerWaalsContact CA-O 3.23Å; R156-V179 WeakPolarHBondContact CA-O 3.37Å; Y157-V179 PolarHBondContact N-O 3.13Å; Y157-V179 PolarHBondContact O-N 3.43Å; L159-V179 HydrophobicContact CB-CG1 4.05Å; L159-V179 HydrophobicContact CB-CG2 4.37Å; L159-V179 HydrophobicContact CD2-CG1 3.76Å; L159-V179 HydrophobicContact CG-CG1 4.35Å; V179-T192 HydrophobicContact CB-CG2 3.93Å; V179-T192 HydrophobicContact CG1-CG2 3.91Å; V179-H194 CarbonylContact C-O 3.51Å; V179-H194 WeakPolarHBondContact CA-O 3.4Å; V179-V195 HydrophobicContact CG1-CG2 4.46Å; V179-V258 HydrophobicContact CG1-CG2 4.22Å; V179-L273 HydrophobicContact CG2-CD1 4.47Å
180R96.1Very high84Confident56 Ų5666.6 Ų66.621%0.21134%0.335CS..EExtended strand (participates in β ladder)trans-111.9116.4167.7-179.9-175.9177.187.210.4107.9R156 E182 R193 H194R156-R180 HydrophobicContact CG-CB 4.07Å; R156-R180 HydrophobicContact CG-CG 4.08Å; R180-E182 IonicContact CZ-OE1 3.3Å; R180-E182 IonicContact NE-OE1 2.87Å; R180-E182 PolarHBondContact NE-OE1 2.9Å; R180-E182 IonicContact NH2-OE1 3.88Å; R180-E182 PolarHBondContact NH2-OE1 3.13Å; R180-R193 PolarHBondContact O-N 2.97Å; R180-H194 HydrophobicContact CB-CB 4.05Å; R180-H194 PolarHBondContact N-O 3.14Å; R180-H194 PolarHBondContact O-N 3.27Å
181N95.1Very high85.9Confident0 Ų062.1 Ų62.10%030%0.301CS..EExtended strand (participates in β ladder)trans-102.9139.8-178-65.72000109.8L139 Y141 G153 S154 C155 W191L139-N181 HydrophobicContact CD1-CB 3.8Å; L139-N181 WeakPolarHBondContact CD1-ND2 3.14Å; L139-N181 HydrophobicContact CD2-CB 4.2Å; Y141-N181 PolarHBondContact OH-ND2 3.22Å; G153-N181 WeakPolarHBondContact O-CB 3.47Å; S154-N181 CarbonylContact C-O 3.6Å; S154-N181 WeakPolarHBondContact CA-O 3.35Å; C155-N181 PolarHBondContact O-N 2.81Å; N181-W191 WeakPolarHBondContact CA-O 3.26Å
182E91.3Very high87.5Confident27 Ų2752.5 Ų52.513%0.12627%0.265CS..EExtended strand (participates in β ladder)trans-138.8150.3177.5-65.6-168168.700111R180 W191 R193 K312R180-E182 IonicContact CZ-OE1 3.3Å; R180-E182 IonicContact NE-OE1 2.87Å; R180-E182 PolarHBondContact NE-OE1 2.9Å; R180-E182 IonicContact NH2-OE1 3.88Å; R180-E182 PolarHBondContact NH2-OE1 3.13Å; E182-W191 PolarHBondContact N-O 2.83Å; E182-W191 VanDerWaalsContact O-CD1 3.23Å; E182-W191 PolarHBondContact O-N 2.97Å; E182-W191 VanDerWaalsContact O-N 3.11Å; E182-R193 VanDerWaalsContact CD-CD 3.45Å; E182-R193 HydrophobicContact CG-CB 4.37Å; E182-R193 WeakPolarHBondContact OE2-CD 3.34Å; E182-R193 IonicContact OE2-NE 3.6Å; E182-K312 HydrophobicContact CG-CG 4.35Å
183P89.7Confident88.8Confident41 Ų4149 Ų4927%0.26625%0.252SS..EExtended strand (participates in β ladder)trans-64147.3167.225.6-31.5000110.9S189 Y190 K312 T313P183-S189 CarbonylContact C-O 3.55Å; P183-S189 WeakPolarHBondContact CA-O 3.33Å; P183-Y190 HydrophobicContact CB-CD1 4.39Å; P183-Y190 HydrophobicContact CB-CE1 4.12Å; P183-K312 HydrophobicContact CG-CB 4.33Å; P183-T313 HydrophobicContact CG-CG2 4.29Å
184R85.9Confident89.9Confident126 Ų12648.4 Ų48.448%0.47525%0.245SC..EExtended strand (participates in β ladder)trans-111.1156.2169.8-161.3177.6178.9165.3-0.6108.7N186 G187 T188 S189R184-N186 PolarHBondContact O-N 3.19Å; R184-G187 WeakPolarHBondContact O-CA 3.34Å; R184-G187 PolarHBondContact O-N 3.47Å; R184-T188 PolarHBondContact O-N 3.31Å; R184-S189 PolarHBondContact N-O 3.05Å
185N80.2Confident90.6Very high109 Ų10945.4 Ų45.458%0.58323%0.23SC*.G310 helixtrans48.359.7170-57.3-18.7000113.5G187 T188N185-G187 PolarHBondContact O-N 2.95Å; N185-T188 WeakPolarHBondContact CB-OG1 3.33Å; N185-T188 PolarHBondContact O-N 3.39Å; N185-T188 PolarHBondContact O-OG1 3.08Å; N185-T188 VanDerWaalsContact O-OG1 3.04Å
186N74.3Confident90.8Very high183 Ų18345.5 Ų45.598%0.97923%0.23SC*.G310 helixtrans57.419.1-176.4-69.9-7.2000115.8R184R184-N186 PolarHBondContact O-N 3.19Å
187G73.2Confident90.9Very high30 Ų3044.2 Ų44.231%0.30922%0.223SC..G310 helixtrans98.49.1175.100000115.5R184 N185R184-G187 WeakPolarHBondContact O-CA 3.34Å; R184-G187 PolarHBondContact O-N 3.47Å; N185-G187 PolarHBondContact O-N 2.95Å
188T76.6Confident90.8Very high116 Ų11648.8 Ų48.871%0.71224%0.241SC*.THydrogen-bonded Turntrans-75.7-24.9176.156.60000113.3R184 N185R184-T188 PolarHBondContact O-N 3.31Å; N185-T188 WeakPolarHBondContact CB-OG1 3.33Å; N185-T188 PolarHBondContact O-N 3.39Å; N185-T188 PolarHBondContact O-OG1 3.08Å; N185-T188 VanDerWaalsContact O-OG1 3.04Å
189S86.3Confident90.6Very high26 Ų2649.8 Ų49.818%0.18225%0.246CC..EExtended strand (participates in β ladder)trans-134.3161-179.9164.20000109.9D138 P183 R184D138-S189 VanDerWaalsContact OD1-CA 3.24Å; D138-S189 WeakPolarHBondContact OD1-CA 3.36Å; D138-S189 WeakPolarHBondContact OD1-CB 3.22Å; D138-S189 PolarHBondContact OD1-OG 3.3Å; P183-S189 CarbonylContact C-O 3.55Å; P183-S189 WeakPolarHBondContact CA-O 3.33Å; R184-S189 PolarHBondContact N-O 3.05Å
190Y92Very high89.8Confident41 Ų4153.8 Ų53.816%0.16127%0.265CS..EExtended strand (participates in β ladder)trans-128151.2175.6-67.7-100.7000111.6D138 L139 P152 P183 T313D138-Y190 VanDerWaalsContact CA-O 3.23Å; D138-Y190 WeakPolarHBondContact CA-O 3.49Å; D138-Y190 PolarHBondContact N-O 3.36Å; D138-Y190 VanDerWaalsContact N-O 3.1Å; D138-Y190 PolarHBondContact OD1-N 2.9Å; L139-Y190 VanDerWaalsContact CD1-CB 3.41Å; L139-Y190 HydrophobicContact CD1-CD1 4.03Å; L139-Y190 HydrophobicContact CD1-CG 4Å; P152-Y190 HydrophobicContact CB-CD1 4.32Å; P152-Y190 HydrophobicContact CB-CD2 3.78Å; P152-Y190 HydrophobicContact CB-CE1 4.25Å; P152-Y190 HydrophobicContact CB-CE2 3.73Å; P152-Y190 HydrophobicContact CB-CG 4.1Å; P152-Y190 WeakPolarHBondContact O-CE1 3.26Å; P183-Y190 HydrophobicContact CB-CD1 4.39Å; P183-Y190 HydrophobicContact CB-CE1 4.12Å; Y190-T313 HydrophobicContact CE1-CG2 4.2Å
191W93.5Very high89.1Confident36 Ų3656.6 Ų56.614%0.13628%0.283CS..EExtended strand (participates in β ladder)trans-150.3156.8177.270.5-56.4000111.7N181 E182 R193 P209 S255N181-W191 WeakPolarHBondContact CA-O 3.26Å; E182-W191 PolarHBondContact N-O 2.83Å; E182-W191 VanDerWaalsContact O-CD1 3.23Å; E182-W191 PolarHBondContact O-N 2.97Å; E182-W191 VanDerWaalsContact O-N 3.11Å; W191-R193 HydrophobicContact CD2-CB 4.44Å; W191-R193 HydrophobicContact CH2-CB 4.3Å; W191-R193 HydrophobicContact CH2-CG 3.97Å; W191-R193 HydrophobicContact CZ2-CB 4Å; W191-R193 HydrophobicContact CZ2-CG 3.79Å; W191-R193 PolarHBondContact O-N 2.85Å; W191-P209 HydrophobicContact CH2-CB 3.86Å; W191-P209 HydrophobicContact CH2-CG 3.63Å; W191-P209 HydrophobicContact CZ3-CB 4.29Å; W191-P209 HydrophobicContact CZ3-CG 4.17Å; W191-S255 VanDerWaalsContact CE3-O 3.26Å
192T95.7Very high88.7Confident0 Ų064.8 Ų64.80%032%0.319CS..EExtended strand (participates in β ladder)trans-75.1112.3167.1-58.60000107.9V179 V195 W252 G256 V258V179-T192 HydrophobicContact CB-CG2 3.93Å; V179-T192 HydrophobicContact CG1-CG2 3.91Å; T192-V195 HydrophobicContact CG2-CG2 3.92Å; T192-W252 HydrophobicContact CG2-CH2 3.76Å; T192-W252 HydrophobicContact CG2-CZ3 3.83Å; T192-W252 WeakPolarHBondContact O-CH2 3.36Å; T192-W252 VanDerWaalsContact O-CZ2 3.32Å; T192-W252 WeakPolarHBondContact O-CZ2 3.49Å; T192-G256 WeakPolarHBondContact CB-O 3.35Å; T192-V258 HydrophobicContact CG2-CG2 3.85Å
193R94.9Very high88.8Confident108 Ų10864.7 Ų64.741%0.40832%0.319SS..EExtended strand (participates in β ladder)trans-84.6-31.3179.2-178.6177.2174.492.4-0.7112.2R180 E182 W191 P209R180-R193 PolarHBondContact O-N 2.97Å; E182-R193 VanDerWaalsContact CD-CD 3.45Å; E182-R193 HydrophobicContact CG-CB 4.37Å; E182-R193 WeakPolarHBondContact OE2-CD 3.34Å; E182-R193 IonicContact OE2-NE 3.6Å; W191-R193 HydrophobicContact CD2-CB 4.44Å; W191-R193 HydrophobicContact CH2-CB 4.3Å; W191-R193 HydrophobicContact CH2-CG 3.97Å; W191-R193 HydrophobicContact CZ2-CB 4Å; W191-R193 HydrophobicContact CZ2-CG 3.79Å; W191-R193 PolarHBondContact O-N 2.85Å; R193-P209 HydrophobicContact CG-CG 3.75Å; R193-P209 VanDerWaalsContact O-CD 3.22Å; R193-P209 WeakPolarHBondContact O-CD 3.24Å; R193-P209 WeakPolarHBondContact O-CG 3.41Å
194H96.4Very high89.1Confident25 Ų2566.5 Ų66.512%0.11632%0.321CS..EExtended strand (participates in β ladder)trans-149.6129.6-172.4166.8-152000110.9V179 R180 S206 L207 L208V179-H194 CarbonylContact C-O 3.51Å; V179-H194 WeakPolarHBondContact CA-O 3.4Å; R180-H194 HydrophobicContact CB-CB 4.05Å; R180-H194 PolarHBondContact N-O 3.14Å; R180-H194 PolarHBondContact O-N 3.27Å; H194-S206 VanDerWaalsContact NE2-CB 3.27Å; H194-S206 WeakPolarHBondContact NE2-CB 3.3Å; H194-S206 PolarHBondContact NE2-OG 2.89Å; H194-L207 WeakPolarHBondContact CA-O 3.08Å; H194-L207 PolarHBondContact CD2-O 3.18Å; H194-L207 VanDerWaalsContact CD2-O 3.3Å; H194-L208 HydrophobicContact CB-CD2 4.29Å
195V98.4Very high89.7Confident0 Ų060.5 Ų60.50%030%0.298CS..EExtended strand (participates in β ladder)trans-105.7125.3169.8-1720000108.7I177 V179 T192 I197 S206 L207 V250 W252 V258I177-V195 HydrophobicContact CG2-CG1 3.97Å; V179-V195 HydrophobicContact CG1-CG2 4.46Å; T192-V195 HydrophobicContact CG2-CG2 3.92Å; V195-I197 HydrophobicContact CG1-CG1 4.47Å; V195-S206 WeakPolarHBondContact O-CA 3.37Å; V195-L207 HydrophobicContact CB-CB 4.14Å; V195-L207 HydrophobicContact CB-CD1 4.25Å; V195-L207 HydrophobicContact CB-CG 4.35Å; V195-L207 PolarHBondContact N-O 2.54Å; V195-L207 PolarHBondContact O-N 2.87Å; V195-V250 HydrophobicContact CG1-CG1 4.38Å; V195-W252 HydrophobicContact CG2-CD2 3.83Å; V195-W252 HydrophobicContact CG2-CE3 3.58Å; V195-W252 HydrophobicContact CG2-CG 4.42Å; V195-W252 HydrophobicContact CG2-CZ3 3.97Å; V195-V258 HydrophobicContact CG1-CG1 4.48Å; V195-V258 HydrophobicContact CG2-CG1 4.18Å; V195-V258 HydrophobicContact CG2-CG2 3.73Å
196S98.1Very high90.6Very high1 Ų155.7 Ų55.71%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-117.2118.1177.2-171.50000109.8V178 R204 I205V178-S196 PolarHBondContact N-O 3.46Å; V178-S196 PolarHBondContact O-N 3.16Å; S196-R204 PolarHBondContact OG-NE 3.12Å; S196-I205 CarbonylContact C-O 3.53Å; S196-I205 WeakPolarHBondContact CA-O 3.36Å
197I98Very high91.7Very high0 Ų047 Ų470%023%0.227CC..EExtended strand (participates in β ladder)trans-103.7124.8175.2-50.7164.5000107.2I177 V195 L199 R204 I205 V242 L244 V250I177-I197 HydrophobicContact CG1-CG1 4.36Å; I177-I197 HydrophobicContact CG1-CG2 4.41Å; V195-I197 HydrophobicContact CG1-CG1 4.47Å; I197-L199 HydrophobicContact CG2-CD2 4.12Å; I197-R204 CarbonylContact O-C 3.6Å; I197-R204 WeakPolarHBondContact O-CA 3.5Å; I197-I205 HydrophobicContact CB-CB 4.2Å; I197-I205 PolarHBondContact N-O 3.01Å; I197-I205 PolarHBondContact O-N 3.34Å; I197-V242 HydrophobicContact CD1-CB 3.94Å; I197-V242 HydrophobicContact CD1-CG1 3.81Å; I197-V242 HydrophobicContact CD1-CG2 3.88Å; I197-L244 HydrophobicContact CG2-CD1 4.23Å; I197-V250 HydrophobicContact CD1-CB 3.93Å; I197-V250 HydrophobicContact CD1-CG1 4.2Å; I197-V250 HydrophobicContact CD1-CG2 3.82Å; I197-V250 HydrophobicContact CG1-CG2 4.4Å
198R95.4Very high92.9Very high97 Ų9748 Ų4837%0.36622%0.224SC..EExtended strand (participates in β ladder)trans-116.5130.9178.1-66.8174.9174.6179.7-7.6109.3F175 L176 I203 R204F175-R198 CarbonylContact C-O 3.58Å; F175-R198 WeakPolarHBondContact CA-O 3.46Å; L176-R198 HydrophobicContact CB-CB 4.25Å; L176-R198 PolarHBondContact N-O 3.43Å; L176-R198 PolarHBondContact O-N 3.3Å; R198-I203 WeakPolarHBondContact CA-O 3.32Å; R198-R204 HydrophobicContact CG-CG 4.26Å
199L93.2Very high93.8Very high24 Ų2443.9 Ų43.913%0.12620%0.2CC..EExtended strand (participates in β ladder)trans-107.5165.9178.4-51.9-179.4000110.5F175 I197 N201 K202 I203 V229 F230 L244F175-L199 HydrophobicContact CB-CD2 4.21Å; I197-L199 HydrophobicContact CG2-CD2 4.12Å; L199-N201 PolarHBondContact O-N 2.99Å; L199-K202 PolarHBondContact O-N 3.22Å; L199-I203 HydrophobicContact CB-CB 4.4Å; L199-I203 HydrophobicContact CD1-CB 4.36Å; L199-I203 HydrophobicContact CD1-CG2 4.37Å; L199-I203 PolarHBondContact N-O 3.27Å; L199-V229 HydrophobicContact CD1-CG1 3.91Å; L199-F230 HydrophobicContact CD1-CD1 3.9Å; L199-F230 HydrophobicContact CD1-CE1 4.49Å; L199-L244 HydrophobicContact CD1-CD2 4.05Å; L199-L244 HydrophobicContact CD2-CD1 3.6Å; L199-L244 HydrophobicContact CD2-CD2 3.8Å; L199-L244 HydrophobicContact CD2-CG 4.34Å
200Q82.3Confident94.2Very high84 Ų8446.4 Ų46.439%0.39322%0.222SC..THydrogen-bonded Turntrans-57.3-35.7178.6-80.3177.7-11.800113.4R172 P173 N174 K202R172-Q200 HydrophobicContact CB-CG 4.43Å; R172-Q200 PolarHBondContact O-NE2 2.84Å; P173-Q200 WeakPolarHBondContact O-CG 3.39Å; N174-Q200 VanDerWaalsContact OD1-CD 3.26Å; N174-Q200 PolarHBondContact OD1-NE2 3.13Å; N174-Q200 PolarHBondContact OD1-OE1 3.18Å; Q200-K202 PolarHBondContact O-N 3.09Å
201N81.8Confident94.4Very high114 Ų11448.1 Ų48.161%0.6123%0.231SC*.THydrogen-bonded Turntrans-76.625.4-177.7-63.7-0.2000113.7L199 I203L199-N201 PolarHBondContact O-N 2.99Å; N201-I203 HydrophobicContact CB-CD1 4.27Å; N201-I203 HydrophobicContact CB-CG1 4.28Å; N201-I203 PolarHBondContact O-N 3.26Å
202K85.8Confident94.6Very high173 Ų17352 Ų5275%0.75225%0.248SC*.SBendtrans60.13.9-175.4-55.3176.7-177.3172.30115L199 Q200 R204L199-K202 PolarHBondContact O-N 3.22Å; Q200-K202 PolarHBondContact O-N 3.09Å; K202-R204 PolarHBondContact O-N 3.13Å
203I93.3Very high94.7Very high25 Ų2552.3 Ų52.313%0.12825%0.25CS..  trans-65.7131.1175.1-60.1173.9000109.4R198 L199 N201 I205 V229 F230R198-I203 WeakPolarHBondContact CA-O 3.32Å; L199-I203 HydrophobicContact CB-CB 4.4Å; L199-I203 HydrophobicContact CD1-CB 4.36Å; L199-I203 HydrophobicContact CD1-CG2 4.37Å; L199-I203 PolarHBondContact N-O 3.27Å; N201-I203 HydrophobicContact CB-CD1 4.27Å; N201-I203 HydrophobicContact CB-CG1 4.28Å; N201-I203 PolarHBondContact O-N 3.26Å; I203-I205 HydrophobicContact CG2-CG1 4.32Å; I203-V229 HydrophobicContact CD1-CG1 4.26Å; I203-F230 HydrophobicContact CD1-CE1 4.11Å; I203-F230 HydrophobicContact CG2-CE1 3.76Å; I203-F230 HydrophobicContact CG2-CZ 4.18Å
204R96.8Very high94.9Very high79 Ų7947.7 Ų47.730%0.29823%0.234SC..EExtended strand (participates in β ladder)trans-123.9109.1175.8-176-177.9-178-161.9-7.8110.5S196 I197 R198 K202 L215 N216S196-R204 PolarHBondContact OG-NE 3.12Å; I197-R204 CarbonylContact O-C 3.6Å; I197-R204 WeakPolarHBondContact O-CA 3.5Å; R198-R204 HydrophobicContact CG-CG 4.26Å; K202-R204 PolarHBondContact O-N 3.13Å; R204-L215 WeakPolarHBondContact O-CA 3.19Å; R204-N216 PolarHBondContact N-OD1 2.92Å; R204-N216 PolarHBondContact O-N 2.91Å
205I98.2Very high94.9Very high0 Ų047.2 Ų47.20%023%0.233CC..EExtended strand (participates in β ladder)trans-88.5129170.9-46.5170.7000107.8S196 I197 I203 L207 V213 L215 F230 V232 V242 L244S196-I205 CarbonylContact C-O 3.53Å; S196-I205 WeakPolarHBondContact CA-O 3.36Å; I197-I205 HydrophobicContact CB-CB 4.2Å; I197-I205 PolarHBondContact N-O 3.01Å; I197-I205 PolarHBondContact O-N 3.34Å; I203-I205 HydrophobicContact CG2-CG1 4.32Å; I205-L207 HydrophobicContact CG2-CD2 3.97Å; I205-V213 HydrophobicContact CG2-CG1 4.37Å; I205-L215 HydrophobicContact CB-CD2 4.05Å; I205-L215 HydrophobicContact CG1-CD2 3.73Å; I205-L215 HydrophobicContact CG2-CD2 3.92Å; I205-F230 HydrophobicContact CD1-CD1 4.21Å; I205-F230 HydrophobicContact CD1-CD2 3.57Å; I205-F230 HydrophobicContact CD1-CE1 4.37Å; I205-F230 HydrophobicContact CD1-CE2 3.73Å; I205-F230 HydrophobicContact CD1-CG 3.84Å; I205-F230 HydrophobicContact CD1-CZ 4.15Å; I205-F230 HydrophobicContact CG1-CD2 4.46Å; I205-F230 HydrophobicContact CG1-CE2 4.13Å; I205-F230 HydrophobicContact CG1-CZ 4.25Å; I205-V232 HydrophobicContact CG2-CG2 4.36Å; I205-V242 HydrophobicContact CD1-CG1 3.78Å; I205-V242 HydrophobicContact CG2-CG2 4.37Å; I205-L244 HydrophobicContact CD1-CD2 4.3Å
206S98.5Very high94.8Very high8 Ų852.4 Ų52.46%0.05626%0.26CS..EExtended strand (participates in β ladder)trans-123.2118.2178.8-68.70000110.2H194 V195 V213 S214H194-S206 VanDerWaalsContact NE2-CB 3.27Å; H194-S206 WeakPolarHBondContact NE2-CB 3.3Å; H194-S206 PolarHBondContact NE2-OG 2.89Å; V195-S206 WeakPolarHBondContact O-CA 3.37Å; S206-V213 WeakPolarHBondContact O-CA 3.38Å; S206-S214 WeakPolarHBondContact CB-OG 3.34Å; S206-S214 PolarHBondContact N-O 3.45Å; S206-S214 PolarHBondContact O-N 2.89Å
207L98.4Very high94.6Very high0 Ų055.2 Ų55.20%029%0.29CS..EExtended strand (participates in β ladder)trans-100.5114.9176.2-44.6-177000108.4H194 V195 I205 V213 I240 V242 V250 W252H194-L207 WeakPolarHBondContact CA-O 3.08Å; H194-L207 PolarHBondContact CD2-O 3.18Å; H194-L207 VanDerWaalsContact CD2-O 3.3Å; V195-L207 HydrophobicContact CB-CB 4.14Å; V195-L207 HydrophobicContact CB-CD1 4.25Å; V195-L207 HydrophobicContact CB-CG 4.35Å; V195-L207 PolarHBondContact N-O 2.54Å; V195-L207 PolarHBondContact O-N 2.87Å; I205-L207 HydrophobicContact CG2-CD2 3.97Å; L207-V213 HydrophobicContact CD2-CG1 4.19Å; L207-V213 HydrophobicContact CD2-CG2 4.07Å; L207-I240 HydrophobicContact CD1-CG2 4.47Å; L207-I240 HydrophobicContact CD2-CG2 4.01Å; L207-V242 HydrophobicContact CD1-CG2 3.99Å; L207-V242 HydrophobicContact CD2-CG2 3.93Å; L207-V242 HydrophobicContact CG-CG2 4.5Å; L207-V250 HydrophobicContact CD1-CG1 4.44Å; L207-W252 HydrophobicContact CB-CB 4.46Å; L207-W252 HydrophobicContact CB-CG 4.05Å; L207-W252 HydrophobicContact CD1-CB 3.61Å; L207-W252 HydrophobicContact CD1-CG 4.08Å
208L97.5Very high94.6Very high50 Ų5058.1 Ų58.126%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-112.7167.6-168.6-63.4168.8000110.5H194 K211 K212H194-L208 HydrophobicContact CB-CD2 4.29Å; L208-K211 PolarHBondContact O-N 3.08Å; L208-K212 HydrophobicContact CB-CB 3.97Å; L208-K212 WeakPolarHBondContact CB-O 3.34Å; L208-K212 PolarHBondContact N-O 3.43Å; L208-K212 PolarHBondContact O-N 3.29Å
209P95.5Very high94.7Very high31 Ų3161.6 Ų61.620%0.20133%0.332CS..THydrogen-bonded Turntrans-56.4153.3178.1-27.237.8000112.8W191 R193 K211W191-P209 HydrophobicContact CH2-CB 3.86Å; W191-P209 HydrophobicContact CH2-CG 3.63Å; W191-P209 HydrophobicContact CZ3-CB 4.29Å; W191-P209 HydrophobicContact CZ3-CG 4.17Å; R193-P209 HydrophobicContact CG-CG 3.75Å; R193-P209 VanDerWaalsContact O-CD 3.22Å; R193-P209 WeakPolarHBondContact O-CD 3.24Å; R193-P209 WeakPolarHBondContact O-CG 3.41Å; P209-K211 VanDerWaalsContact C-N 3.25Å; P209-K211 PolarHBondContact O-N 3.3Å
210A94.3Very high94.9Very high79 Ų7962.1 Ų62.165%0.65334%0.336SS*.THydrogen-bonded Turntrans57.239.1-176.400000112.7K212 G254A210-K212 PolarHBondContact O-N 3.44Å; A210-K212 VanDerWaalsContact O-N 3.13Å; A210-G254 PolarHBondContact N-O 2.94Å
211K96.3Very high95.6Very high76 Ų7662.9 Ų62.933%0.3335%0.351SS..THydrogen-bonded Turntrans55.431.4175-56.1177-173.9177.70114.2L208 P209 Y234 S238 I240 D253L208-K211 PolarHBondContact O-N 3.08Å; P209-K211 VanDerWaalsContact C-N 3.25Å; P209-K211 PolarHBondContact O-N 3.3Å; K211-Y234 HydrophobicContact CB-CE1 4.45Å; K211-Y234 HydrophobicContact CD-CE1 4.13Å; K211-S238 VanDerWaalsContact CE-O 3.31Å; K211-S238 WeakPolarHBondContact CE-O 3.21Å; K211-S238 PolarHBondContact NZ-O 2.91Å; K211-I240 HydrophobicContact CB-CD1 3.82Å; K211-I240 HydrophobicContact CB-CG1 4.18Å; K211-I240 HydrophobicContact CG-CD1 4.41Å; K211-D253 WeakPolarHBondContact CE-O 3.49Å
212K97.4Very high96.3Very high118 Ų11859.1 Ų59.151%0.51333%0.33SS..EExtended strand (participates in β ladder)trans-81.3136.7174.8-67.8174.2-174.2174.40110.1L208 A210L208-K212 HydrophobicContact CB-CB 3.97Å; L208-K212 WeakPolarHBondContact CB-O 3.34Å; L208-K212 PolarHBondContact N-O 3.43Å; L208-K212 PolarHBondContact O-N 3.29Å; A210-K212 PolarHBondContact O-N 3.44Å; A210-K212 VanDerWaalsContact O-N 3.13Å
213V98.5Very high96.9Very high6 Ų655.8 Ų55.84%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-119.4136.6177.6-176.40000109.8I205 S206 L207 K219 V220 L222 V232 I240I205-V213 HydrophobicContact CG2-CG1 4.37Å; S206-V213 WeakPolarHBondContact O-CA 3.38Å; L207-V213 HydrophobicContact CD2-CG1 4.19Å; L207-V213 HydrophobicContact CD2-CG2 4.07Å; V213-K219 WeakPolarHBondContact O-CA 3.48Å; V213-V220 HydrophobicContact CB-CG2 4Å; V213-V220 HydrophobicContact CG1-CG2 3.71Å; V213-V220 PolarHBondContact O-N 3.32Å; V213-L222 HydrophobicContact CB-CD2 4.36Å; V213-L222 HydrophobicContact CG2-CD1 4.01Å; V213-L222 HydrophobicContact CG2-CD2 4.15Å; V213-L222 HydrophobicContact CG2-CG 4.32Å; V213-V232 HydrophobicContact CG1-CG1 4.27Å; V213-V232 HydrophobicContact CG2-CG1 4.28Å; V213-I240 HydrophobicContact CG2-CD1 3.65Å; V213-I240 HydrophobicContact CG2-CG1 4.38Å; V213-I240 HydrophobicContact CG2-CG2 4.23Å
214S97.9Very high97.1Very high11 Ų1158.1 Ų58.18%0.07733%0.334CS..EExtended strand (participates in β ladder)trans-132.2143.7168.166.90000113.1S206 A218S206-S214 WeakPolarHBondContact CB-OG 3.34Å; S206-S214 PolarHBondContact N-O 3.45Å; S206-S214 PolarHBondContact O-N 2.89Å; S214-A218 CarbonylContact C-O 3.17Å; S214-A218 WeakPolarHBondContact CA-O 3.47Å; S214-A218 WeakPolarHBondContact CB-O 3.35Å
215L97.3Very high97.1Very high15 Ų1558.4 Ų58.48%0.07934%0.344CS..EExtended strand (participates in β ladder)trans-111.7119.7175-59.9-177.1000108.4R204 I205 G217 A218 V220 Y224 F230R204-L215 WeakPolarHBondContact O-CA 3.19Å; I205-L215 HydrophobicContact CB-CD2 4.05Å; I205-L215 HydrophobicContact CG1-CD2 3.73Å; I205-L215 HydrophobicContact CG2-CD2 3.92Å; L215-G217 PolarHBondContact O-N 2.88Å; L215-A218 PolarHBondContact N-O 3.01Å; L215-A218 PolarHBondContact O-N 2.85Å; L215-V220 HydrophobicContact CB-CG1 4.25Å; L215-V220 HydrophobicContact CD1-CG1 3.86Å; L215-V220 HydrophobicContact CD1-CG2 4.31Å; L215-V220 HydrophobicContact CG-CG1 3.89Å; L215-V220 HydrophobicContact CG-CG2 4.03Å; L215-Y224 HydrophobicContact CD1-CD1 3.55Å; L215-Y224 HydrophobicContact CD1-CD2 4.11Å; L215-Y224 HydrophobicContact CD1-CE1 3.16Å; L215-Y224 HydrophobicContact CD1-CE2 3.77Å; L215-Y224 HydrophobicContact CD1-CG 4Å; L215-F230 HydrophobicContact CD1-CE2 4.33Å; L215-F230 HydrophobicContact CD1-CZ 4.04Å; L215-F230 HydrophobicContact CD2-CE2 4.03Å; L215-F230 HydrophobicContact CD2-CZ 3.95Å
216N95.8Very high97Very high109 Ų10962 Ų6258%0.58336%0.361SS*.THydrogen-bonded Turntrans51.824.3-177.3-61.8-25.4000114.4R204R204-N216 PolarHBondContact N-OD1 2.92Å; R204-N216 PolarHBondContact O-N 2.91Å
217G95.3Very high96.7Very high61 Ų6168.9 Ų68.963%0.62940%0.397SS*.THydrogen-bonded Turntrans100.8-22.5-17800000114.5L215L215-G217 PolarHBondContact O-N 2.88Å
218A97.3Very high96.4Very high61 Ų6171.9 Ų71.950%0.50443%0.428SS..EExtended strand (participates in β ladder)trans-78.5128.7175.400000110.6S214 L215S214-A218 CarbonylContact C-O 3.17Å; S214-A218 WeakPolarHBondContact CA-O 3.47Å; S214-A218 WeakPolarHBondContact CB-O 3.35Å; L215-A218 PolarHBondContact N-O 3.01Å; L215-A218 PolarHBondContact O-N 2.85Å
219K97.3Very high96.2Very high169 Ų16971.3 Ų71.374%0.73543%0.426SS*.EExtended strand (participates in β ladder)trans-69.1142.1175.1-66.4178.6-174.1165.90109.6V213V213-K219 WeakPolarHBondContact O-CA 3.48Å
220V97.6Very high96.3Very high35 Ų3570 Ų7021%0.21242%0.417CS..EExtended strand (participates in β ladder)trans-127.3148.9178.4-61.90000110.8V213 L215 Y224V213-V220 HydrophobicContact CB-CG2 4Å; V213-V220 HydrophobicContact CG1-CG2 3.71Å; V213-V220 PolarHBondContact O-N 3.32Å; L215-V220 HydrophobicContact CB-CG1 4.25Å; L215-V220 HydrophobicContact CD1-CG1 3.86Å; L215-V220 HydrophobicContact CD1-CG2 4.31Å; L215-V220 HydrophobicContact CG-CG1 3.89Å; L215-V220 HydrophobicContact CG-CG2 4.03Å; V220-Y224 HydrophobicContact CB-CD2 4.02Å; V220-Y224 HydrophobicContact CG1-CD2 4.08Å; V220-Y224 HydrophobicContact CG1-CE2 4.09Å; V220-Y224 HydrophobicContact CG2-CD2 4.43Å
221S96.5Very high96.5Very high101 Ų10167 Ų6771%0.70639%0.391SS*.  trans-81154.8166.6490000110.3
222L96.7Very high96.6Very high35 Ų3563.4 Ų63.418%0.18338%0.376CS..SBendtrans-107.4145.2174.5-58.4-173.4000109.7V213 V232 Y234 I240V213-L222 HydrophobicContact CB-CD2 4.36Å; V213-L222 HydrophobicContact CG2-CD1 4.01Å; V213-L222 HydrophobicContact CG2-CD2 4.15Å; V213-L222 HydrophobicContact CG2-CG 4.32Å; L222-V232 HydrophobicContact CD1-CG1 4.06Å; L222-V232 HydrophobicContact CD2-CB 3.71Å; L222-V232 HydrophobicContact CD2-CG1 3.42Å; L222-V232 VanDerWaalsContact CD2-CG1 3.42Å; L222-V232 HydrophobicContact CG-CG1 4.4Å; L222-Y234 HydrophobicContact CB-CD2 4.43Å; L222-Y234 HydrophobicContact CB-CE2 4.05Å; L222-Y234 HydrophobicContact CD1-CD2 4.49Å; L222-Y234 HydrophobicContact CD1-CE1 4.18Å; L222-Y234 HydrophobicContact CD1-CE2 4.1Å; L222-I240 HydrophobicContact CD1-CG1 4.19Å; L222-I240 HydrophobicContact CD1-CG2 4.32Å
223P97.8Very high96.6Very high103 Ų10360.3 Ų60.367%0.66936%0.364SS*.SBendcis-73.1148.50.931.7-35.5000113V232 M233P223-V232 CarbonylContact C-O 3.58Å; P223-V232 WeakPolarHBondContact CA-O 3.34Å; P223-M233 HydrophobicContact CB-CB 4.34Å
224Y97.9Very high96.6Very high74 Ų7465.5 Ų65.529%0.2938%0.383SS..EExtended strand (participates in β ladder)trans-126.4132.4173-173.2-81.5000109.5L215 V220 E226 F230 S231 V232L215-Y224 HydrophobicContact CD1-CD1 3.55Å; L215-Y224 HydrophobicContact CD1-CD2 4.11Å; L215-Y224 HydrophobicContact CD1-CE1 3.16Å; L215-Y224 HydrophobicContact CD1-CE2 3.77Å; L215-Y224 HydrophobicContact CD1-CG 4Å; V220-Y224 HydrophobicContact CB-CD2 4.02Å; V220-Y224 HydrophobicContact CG1-CD2 4.08Å; V220-Y224 HydrophobicContact CG1-CE2 4.09Å; V220-Y224 HydrophobicContact CG2-CD2 4.43Å; Y224-E226 HydrophobicContact CE1-CB 4.32Å; Y224-F230 AromaticContact CD1-CE2 3.97Å; Y224-F230 HydrophobicContact CD1-CE2 3.97Å; Y224-F230 HydrophobicContact CD1-CZ 4.32Å; Y224-F230 HydrophobicContact CE1-CE2 4.16Å; Y224-F230 HydrophobicContact CE1-CZ 4.03Å; Y224-S231 CarbonylContact O-C 3.59Å; Y224-S231 WeakPolarHBondContact O-CA 3.36Å; Y224-V232 PolarHBondContact N-O 2.87Å; Y224-V232 PolarHBondContact O-N 3.35Å
225V97.2Very high96.5Very high84 Ų8466.4 Ų66.451%0.50939%0.388SS..EExtended strand (participates in β ladder)trans-131.4124.6-179.5-1770000109.5L227V225-L227 HydrophobicContact CG1-CD2 4.24Å
226E94.8Very high96.5Very high75 Ų7576.2 Ų76.235%0.3543%0.43SS..EExtended strand (participates in β ladder)trans-102.4105.1166.6-174.569.2-12000107.3Y224 G228 V229 F230Y224-E226 HydrophobicContact CE1-CB 4.32Å; E226-G228 PolarHBondContact O-N 3.45Å; E226-V229 HydrophobicContact CB-CB 4.17Å; E226-V229 HydrophobicContact CG-CB 3.76Å; E226-V229 HydrophobicContact CG-CG2 3.72Å; E226-V229 PolarHBondContact O-N 2.84Å; E226-F230 HydrophobicContact CB-CD1 3.81Å; E226-F230 HydrophobicContact CB-CE1 3.5Å; E226-F230 VanDerWaalsContact CB-CE1 3.5Å; E226-F230 HydrophobicContact CB-CE2 4.4Å; E226-F230 HydrophobicContact CB-CG 4.36Å; E226-F230 HydrophobicContact CB-CZ 3.83Å; E226-F230 HydrophobicContact CG-CD1 4.35Å; E226-F230 HydrophobicContact CG-CE1 3.92Å; E226-F230 PolarHBondContact N-O 2.96Å; E226-F230 PolarHBondContact O-N 2.98Å; E226-F230 VanDerWaalsContact O-N 3.13Å
227L93.9Very high96.5Very high154 Ų15474 Ų7481%0.80643%0.427SS*.THydrogen-bonded Turntrans-54.7129.8-171.8-69.3176.6000111.2V225 V229V225-L227 HydrophobicContact CG1-CD2 4.24Å; L227-V229 PolarHBondContact O-N 2.87Å
228G91.6Very high96.6Very high63 Ų6374.5 Ų74.565%0.64942%0.421SS*.THydrogen-bonded Turntrans76.7-10-17900000115.3E226 N245E226-G228 PolarHBondContact O-N 3.45Å; G228-N245 VanDerWaalsContact CA-ND2 3.27Å; G228-N245 WeakPolarHBondContact CA-ND2 3.47Å; G228-N245 PolarHBondContact O-ND2 3.14Å
229V93.6Very high96.6Very high38 Ų3874.5 Ų74.523%0.2341%0.408CS..THydrogen-bonded Turntrans-113.6-63.4-174.6-1640000112.8L199 I203 E226 L227 N245L199-V229 HydrophobicContact CD1-CG1 3.91Å; I203-V229 HydrophobicContact CD1-CG1 4.26Å; E226-V229 HydrophobicContact CB-CB 4.17Å; E226-V229 HydrophobicContact CG-CB 3.76Å; E226-V229 HydrophobicContact CG-CG2 3.72Å; E226-V229 PolarHBondContact O-N 2.84Å; L227-V229 PolarHBondContact O-N 2.87Å; V229-N245 PolarHBondContact N-ND2 2.86Å; V229-N245 PolarHBondContact O-N 2.9Å
230F96.8Very high96.7Very high2 Ų266.5 Ų66.51%0.00937%0.373CS..EExtended strand (participates in β ladder)trans-158.8164.1-177.968.1-86.7000112.8L199 I203 I205 L215 Y224 E226 V232 R243 L244L199-F230 HydrophobicContact CD1-CD1 3.9Å; L199-F230 HydrophobicContact CD1-CE1 4.49Å; I203-F230 HydrophobicContact CD1-CE1 4.11Å; I203-F230 HydrophobicContact CG2-CE1 3.76Å; I203-F230 HydrophobicContact CG2-CZ 4.18Å; I205-F230 HydrophobicContact CD1-CD1 4.21Å; I205-F230 HydrophobicContact CD1-CD2 3.57Å; I205-F230 HydrophobicContact CD1-CE1 4.37Å; I205-F230 HydrophobicContact CD1-CE2 3.73Å; I205-F230 HydrophobicContact CD1-CG 3.84Å; I205-F230 HydrophobicContact CD1-CZ 4.15Å; I205-F230 HydrophobicContact CG1-CD2 4.46Å; I205-F230 HydrophobicContact CG1-CE2 4.13Å; I205-F230 HydrophobicContact CG1-CZ 4.25Å; L215-F230 HydrophobicContact CD1-CE2 4.33Å; L215-F230 HydrophobicContact CD1-CZ 4.04Å; L215-F230 HydrophobicContact CD2-CE2 4.03Å; L215-F230 HydrophobicContact CD2-CZ 3.95Å; Y224-F230 AromaticContact CD1-CE2 3.97Å; Y224-F230 HydrophobicContact CD1-CE2 3.97Å; Y224-F230 HydrophobicContact CD1-CZ 4.32Å; Y224-F230 HydrophobicContact CE1-CE2 4.16Å; Y224-F230 HydrophobicContact CE1-CZ 4.03Å; E226-F230 HydrophobicContact CB-CD1 3.81Å; E226-F230 HydrophobicContact CB-CE1 3.5Å; E226-F230 VanDerWaalsContact CB-CE1 3.5Å; E226-F230 HydrophobicContact CB-CE2 4.4Å; E226-F230 HydrophobicContact CB-CG 4.36Å; E226-F230 HydrophobicContact CB-CZ 3.83Å; E226-F230 HydrophobicContact CG-CD1 4.35Å; E226-F230 HydrophobicContact CG-CE1 3.92Å; E226-F230 PolarHBondContact N-O 2.96Å; E226-F230 PolarHBondContact O-N 2.98Å; E226-F230 VanDerWaalsContact O-N 3.13Å; F230-V232 HydrophobicContact CD2-CG2 3.82Å; F230-V232 HydrophobicContact CE2-CG2 3.84Å; F230-R243 CarbonylContact C-O 3.51Å; F230-R243 WeakPolarHBondContact CA-O 3.46Å; F230-R243 WeakPolarHBondContact CB-O 3Å; F230-L244 HydrophobicContact CB-CD2 3.61Å; F230-L244 HydrophobicContact CG-CD2 4.41Å
231S97.9Very high96.7Very high17 Ų1765.4 Ų65.412%0.11937%0.366CS..EExtended strand (participates in β ladder)trans-129.8148.6166.853.20000111.1Y224 V242 R243Y224-S231 CarbonylContact O-C 3.59Å; Y224-S231 WeakPolarHBondContact O-CA 3.36Å; S231-V242 CarbonylContact O-C 3.56Å; S231-V242 WeakPolarHBondContact O-CA 3.27Å; S231-R243 PolarHBondContact N-O 2.02Å; S231-R243 PolarHBondContact O-N 3.44Å
232V98.3Very high96.8Very high0 Ų060.6 Ų60.60%033%0.332CS..EExtended strand (participates in β ladder)trans-125.6124.3172-1680000108.3I205 V213 L222 P223 Y224 F230 I240 L241 V242I205-V232 HydrophobicContact CG2-CG2 4.36Å; V213-V232 HydrophobicContact CG1-CG1 4.27Å; V213-V232 HydrophobicContact CG2-CG1 4.28Å; L222-V232 HydrophobicContact CD1-CG1 4.06Å; L222-V232 HydrophobicContact CD2-CB 3.71Å; L222-V232 HydrophobicContact CD2-CG1 3.42Å; L222-V232 VanDerWaalsContact CD2-CG1 3.42Å; L222-V232 HydrophobicContact CG-CG1 4.4Å; P223-V232 CarbonylContact C-O 3.58Å; P223-V232 WeakPolarHBondContact CA-O 3.34Å; Y224-V232 PolarHBondContact N-O 2.87Å; Y224-V232 PolarHBondContact O-N 3.35Å; F230-V232 HydrophobicContact CD2-CG2 3.82Å; F230-V232 HydrophobicContact CE2-CG2 3.84Å; V232-I240 HydrophobicContact CG1-CG2 3.65Å; V232-L241 WeakPolarHBondContact CA-O 3Å; V232-V242 HydrophobicContact CG1-CG2 4.09Å; V232-V242 HydrophobicContact CG2-CG1 4.38Å; V232-V242 HydrophobicContact CG2-CG2 4.15Å
233M98.3Very high96.9Very high54 Ų5464.2 Ų64.227%0.26634%0.343SS..EExtended strand (participates in β ladder)trans-151.6176.9-176.454.9-176.551.100110.5P223 L241P223-M233 HydrophobicContact CB-CB 4.34Å; M233-L241 HydrophobicContact CG-CB 4.41Å; M233-L241 HydrophobicContact CG-CD2 4.43Å; M233-L241 PolarHBondContact N-O 3.32Å; M233-L241 PolarHBondContact O-N 3.03Å
234Y98.3Very high96.8Very high114 Ų11460 Ų6045%0.44732%0.315SS..EExtended strand (participates in β ladder)trans-86.6140.5167.5-67.9-68.2000110.6K211 L222 R239 I240K211-Y234 HydrophobicContact CB-CE1 4.45Å; K211-Y234 HydrophobicContact CD-CE1 4.13Å; L222-Y234 HydrophobicContact CB-CD2 4.43Å; L222-Y234 HydrophobicContact CB-CE2 4.05Å; L222-Y234 HydrophobicContact CD1-CD2 4.49Å; L222-Y234 HydrophobicContact CD1-CE1 4.18Å; L222-Y234 HydrophobicContact CD1-CE2 4.1Å; Y234-R239 CarbonylContact C-O 3.58Å; Y234-R239 VanDerWaalsContact CA-O 3.26Å; Y234-R239 WeakPolarHBondContact CA-O 3.45Å; Y234-I240 HydrophobicContact CE1-CG1 4.09Å
235D96.9Very high96.5Very high31 Ų3161.5 Ų61.517%0.16633%0.328CS..  trans-78.6179.316679.6-5.6000111.1A237 S238 R239 L241D235-A237 PolarHBondContact O-N 2.92Å; D235-A237 VanDerWaalsContact O-N 3.15Å; D235-A237 VanDerWaalsContact OD1-C 3.27Å; D235-A237 WeakPolarHBondContact OD1-CA 3.42Å; D235-A237 PolarHBondContact OD1-N 2.76Å; D235-S238 PolarHBondContact O-N 3.33Å; D235-S238 PolarHBondContact OD1-N 3.44Å; D235-S238 VanDerWaalsContact OD1-N 3.14Å; D235-R239 PolarHBondContact N-O 3.46Å; D235-R239 WeakPolarHBondContact OD1-CB 3.47Å; D235-R239 PolarHBondContact OD1-N 3.39Å; D235-R239 IonicContact OD1-NE 3.76Å; D235-R239 IonicContact OD2-CZ 2.76Å; D235-R239 VanDerWaalsContact OD2-CZ 3.3Å; D235-R239 IonicContact OD2-NE 3.88Å; D235-R239 PolarHBondContact OD2-NE 3.41Å; D235-R239 IonicContact OD2-NH2 3.93Å; D235-R239 PolarHBondContact OD2-NH2 2.68Å; D235-L241 HydrophobicContact CB-CB 4.23Å; D235-L241 HydrophobicContact CB-CD2 4.36Å
236K96.6Very high96Very high220 Ų22061 Ų6196%0.95733%0.333SS*.THydrogen-bonded Turntrans-62.4-20179.3-64.9-173.9178-174.80113.6
237A96.7Very high95.8Very high64 Ų6458.1 Ų58.153%0.52932%0.323SS..THydrogen-bonded Turntrans-97.716177.900000112.1D235 R239D235-A237 PolarHBondContact O-N 2.92Å; D235-A237 VanDerWaalsContact O-N 3.15Å; D235-A237 VanDerWaalsContact OD1-C 3.27Å; D235-A237 WeakPolarHBondContact OD1-CA 3.42Å; D235-A237 PolarHBondContact OD1-N 2.76Å; A237-R239 HydrophobicContact CB-CG 4.24Å; A237-R239 PolarHBondContact O-N 3.09Å
238S96.7Very high95.9Very high71 Ų7150.8 Ų50.850%0.49728%0.284SS..SBendtrans59.525-177.8-61.20000114K211 D235K211-S238 VanDerWaalsContact CE-O 3.31Å; K211-S238 WeakPolarHBondContact CE-O 3.21Å; K211-S238 PolarHBondContact NZ-O 2.91Å; D235-S238 PolarHBondContact O-N 3.33Å; D235-S238 PolarHBondContact OD1-N 3.44Å; D235-S238 VanDerWaalsContact OD1-N 3.14Å
239R97.8Very high96.3Very high61 Ų6151.2 Ų51.223%0.2327%0.268CS..  trans-90.9154.4172.4-54.6-179.5-63.5169.34.9109.6Y234 D235 A237 L241 V251 D253 E259Y234-R239 CarbonylContact C-O 3.58Å; Y234-R239 VanDerWaalsContact CA-O 3.26Å; Y234-R239 WeakPolarHBondContact CA-O 3.45Å; D235-R239 PolarHBondContact N-O 3.46Å; D235-R239 WeakPolarHBondContact OD1-CB 3.47Å; D235-R239 PolarHBondContact OD1-N 3.39Å; D235-R239 IonicContact OD1-NE 3.76Å; D235-R239 IonicContact OD2-CZ 2.76Å; D235-R239 VanDerWaalsContact OD2-CZ 3.3Å; D235-R239 IonicContact OD2-NE 3.88Å; D235-R239 PolarHBondContact OD2-NE 3.41Å; D235-R239 IonicContact OD2-NH2 3.93Å; D235-R239 PolarHBondContact OD2-NH2 2.68Å; A237-R239 HydrophobicContact CB-CG 4.24Å; A237-R239 PolarHBondContact O-N 3.09Å; R239-L241 PolarHBondContact O-N 3.35Å; R239-V251 HydrophobicContact CB-CG1 3.8Å; R239-D253 HydrophobicContact CG-CB 4.46Å; R239-E259 IonicContact CZ-OE1 3.16Å; R239-E259 IonicContact NH1-OE1 2.75Å; R239-E259 PolarHBondContact NH1-OE1 3.4Å; R239-E259 IonicContact NH1-OE2 3.98Å; R239-E259 IonicContact NH2-OE2 3.41Å
240I98.5Very high96.5Very high0 Ų049.4 Ų49.40%026%0.257CS..EExtended strand (participates in β ladder)trans-73.9125.9176.1-61.3166.1000108.8L207 K211 V213 L222 V232 Y234 V242 V251 W252L207-I240 HydrophobicContact CD1-CG2 4.47Å; L207-I240 HydrophobicContact CD2-CG2 4.01Å; K211-I240 HydrophobicContact CB-CD1 3.82Å; K211-I240 HydrophobicContact CB-CG1 4.18Å; K211-I240 HydrophobicContact CG-CD1 4.41Å; V213-I240 HydrophobicContact CG2-CD1 3.65Å; V213-I240 HydrophobicContact CG2-CG1 4.38Å; V213-I240 HydrophobicContact CG2-CG2 4.23Å; L222-I240 HydrophobicContact CD1-CG1 4.19Å; L222-I240 HydrophobicContact CD1-CG2 4.32Å; V232-I240 HydrophobicContact CG1-CG2 3.65Å; Y234-I240 HydrophobicContact CE1-CG1 4.09Å; I240-V242 HydrophobicContact CG2-CG2 4.4Å; I240-V251 CarbonylContact O-C 3.42Å; I240-V251 VanDerWaalsContact O-CA 3.28Å; I240-V251 WeakPolarHBondContact O-CA 3.31Å; I240-W252 HydrophobicContact CB-CB 4.44Å; I240-W252 PolarHBondContact N-O 2.92Å; I240-W252 PolarHBondContact O-N 3.35Å
241L98.6Very high96.6Very high13 Ų1350 Ų507%0.06826%0.261CS..EExtended strand (participates in β ladder)trans-113.8115.6174.3170.961000109.7V232 M233 D235 R239 R243 K249 V251V232-L241 WeakPolarHBondContact CA-O 3Å; M233-L241 HydrophobicContact CG-CB 4.41Å; M233-L241 HydrophobicContact CG-CD2 4.43Å; M233-L241 PolarHBondContact N-O 3.32Å; M233-L241 PolarHBondContact O-N 3.03Å; D235-L241 HydrophobicContact CB-CB 4.23Å; D235-L241 HydrophobicContact CB-CD2 4.36Å; R239-L241 PolarHBondContact O-N 3.35Å; L241-R243 HydrophobicContact CD1-CG 3.98Å; L241-R243 HydrophobicContact CD2-CG 4.28Å; L241-R243 VanDerWaalsContact CD2-CZ 3.48Å; L241-R243 HydrophobicContact CG-CG 3.99Å; L241-K249 HydrophobicContact CD1-CB 4.42Å; L241-V251 HydrophobicContact CD1-CG2 3.74Å
242V98.6Very high96.6Very high0 Ų049.1 Ų49.10%026%0.255CS..EExtended strand (participates in β ladder)trans-98.5121.8168.1-176.40000108.3I197 I205 L207 S231 V232 I240 L244 K249 V250I197-V242 HydrophobicContact CD1-CB 3.94Å; I197-V242 HydrophobicContact CD1-CG1 3.81Å; I197-V242 HydrophobicContact CD1-CG2 3.88Å; I205-V242 HydrophobicContact CD1-CG1 3.78Å; I205-V242 HydrophobicContact CG2-CG2 4.37Å; L207-V242 HydrophobicContact CD1-CG2 3.99Å; L207-V242 HydrophobicContact CD2-CG2 3.93Å; L207-V242 HydrophobicContact CG-CG2 4.5Å; S231-V242 CarbonylContact O-C 3.56Å; S231-V242 WeakPolarHBondContact O-CA 3.27Å; V232-V242 HydrophobicContact CG1-CG2 4.09Å; V232-V242 HydrophobicContact CG2-CG1 4.38Å; V232-V242 HydrophobicContact CG2-CG2 4.15Å; I240-V242 HydrophobicContact CG2-CG2 4.4Å; V242-L244 HydrophobicContact CG1-CD2 4.08Å; V242-K249 CarbonylContact O-C 3.6Å; V242-K249 WeakPolarHBondContact O-CA 3.27Å; V242-V250 HydrophobicContact CB-CB 4.29Å; V242-V250 PolarHBondContact N-O 3.19Å; V242-V250 PolarHBondContact O-N 2.87Å
243R98.1Very high96.5Very high111 Ų11150 Ų5042%0.41926%0.26SS..EExtended strand (participates in β ladder)trans-112.1115.3171.7-66.5-179.7174.5145.4-0.7109.1F230 S231 L241 K249F230-R243 CarbonylContact C-O 3.51Å; F230-R243 WeakPolarHBondContact CA-O 3.46Å; F230-R243 WeakPolarHBondContact CB-O 3Å; S231-R243 PolarHBondContact N-O 2.02Å; S231-R243 PolarHBondContact O-N 3.44Å; L241-R243 HydrophobicContact CD1-CG 3.98Å; L241-R243 HydrophobicContact CD2-CG 4.28Å; L241-R243 VanDerWaalsContact CD2-CZ 3.48Å; L241-R243 HydrophobicContact CG-CG 3.99Å; R243-K249 HydrophobicContact CG-CG 4.35Å
244L96.2Very high96.4Very high14 Ų1447.8 Ų47.87%0.07325%0.251CS..EExtended strand (participates in β ladder)trans-84.7137168.6-55.1-176.8000108.7F175 I197 L199 I205 F230 V242 A246 P248F175-L244 HydrophobicContact CB-CD1 3.99Å; I197-L244 HydrophobicContact CG2-CD1 4.23Å; L199-L244 HydrophobicContact CD1-CD2 4.05Å; L199-L244 HydrophobicContact CD2-CD1 3.6Å; L199-L244 HydrophobicContact CD2-CD2 3.8Å; L199-L244 HydrophobicContact CD2-CG 4.34Å; I205-L244 HydrophobicContact CD1-CD2 4.3Å; F230-L244 HydrophobicContact CB-CD2 3.61Å; F230-L244 HydrophobicContact CG-CD2 4.41Å; V242-L244 HydrophobicContact CG1-CD2 4.08Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-A246 PolarHBondContact O-N 2.97Å; L244-P248 HydrophobicContact CD1-CG 4.06Å; L244-P248 WeakPolarHBondContact CG-O 3.25Å; L244-P248 PolarHBondContact N-O 2.99Å
245N90.5Very high96.1Very high106 Ų10645.2 Ų45.257%0.56725%0.25SC*.THydrogen-bonded Turntrans-65.9-38.2177.9-76.63.2000111.8G228 V229G228-N245 VanDerWaalsContact CA-ND2 3.27Å; G228-N245 WeakPolarHBondContact CA-ND2 3.47Å; G228-N245 PolarHBondContact O-ND2 3.14Å; V229-N245 PolarHBondContact N-ND2 2.86Å; V229-N245 PolarHBondContact O-N 2.9Å
246A86.7Confident96Very high74 Ų7443.8 Ų43.861%0.61224%0.242SC*.THydrogen-bonded Turntrans-120.775.8173.900000109.6L244L244-A246 VanDerWaalsContact C-N 3.32Å; L244-A246 PolarHBondContact O-N 2.97Å
247G91.3Very high96Very high13 Ų1336.8 Ų36.813%0.13421%0.213CC..SBendtrans171.2-170.8-174.700000115.3Y266G247-Y266 VanDerWaalsContact CA-OH 3.26Å; G247-Y266 WeakPolarHBondContact CA-OH 3.39Å; G247-Y266 PolarHBondContact N-OH 2.81Å
248P96.8Very high96.1Very high0 Ų033.8 Ų33.80%019%0.188CC..  trans-66.1157.8171.525.1-35.8000113F175 I177 L244 V260 T261 V262F175-P248 HydrophobicContact CD1-CG 4.14Å; F175-P248 HydrophobicContact CD2-CG 3.67Å; F175-P248 VanDerWaalsContact CE1-CD 3.42Å; F175-P248 HydrophobicContact CE1-CG 4.19Å; F175-P248 HydrophobicContact CE2-CG 3.71Å; F175-P248 HydrophobicContact CG-CG 3.88Å; F175-P248 HydrophobicContact CZ-CG 3.96Å; I177-P248 HydrophobicContact CD1-CB 4.35Å; I177-P248 HydrophobicContact CD1-CG 3.77Å; L244-P248 HydrophobicContact CD1-CG 4.06Å; L244-P248 WeakPolarHBondContact CG-O 3.25Å; L244-P248 PolarHBondContact N-O 2.99Å; P248-V260 HydrophobicContact CB-CG1 3.73Å; P248-V260 HydrophobicContact CG-CG1 4.47Å; P248-T261 CarbonylContact C-O 3.55Å; P248-T261 VanDerWaalsContact CA-O 3.26Å; P248-T261 WeakPolarHBondContact CA-O 3.39Å; P248-V262 HydrophobicContact CB-CG1 3.87Å
249K98.3Very high96.1Very high72 Ų7233.1 Ų33.131%0.31318%0.177SC..EExtended strand (participates in β ladder)trans-90.4136.7156.8-55.4169.6-1641550107.6E130 L241 V242 R243 V260 T261E130-K249 IonicContact OE1-NZ 2.64Å; E130-K249 PolarHBondContact OE1-NZ 3.18Å; E130-K249 IonicContact OE2-NZ 3.64Å; E130-K249 PolarHBondContact OE2-NZ 2.82Å; L241-K249 HydrophobicContact CD1-CB 4.42Å; V242-K249 CarbonylContact O-C 3.6Å; V242-K249 WeakPolarHBondContact O-CA 3.27Å; R243-K249 HydrophobicContact CG-CG 4.35Å; K249-V260 WeakPolarHBondContact O-CA 3.41Å; K249-T261 PolarHBondContact N-O 3.45Å; K249-T261 PolarHBondContact O-N 3.19Å
250V98.7Very high96.2Very high0 Ų030.2 Ų30.20%017%0.166CC..EExtended strand (participates in β ladder)trans-123.1123.8176.9-175.90000109I177 V195 I197 L207 V242 V258 E259 V260I177-V250 HydrophobicContact CD1-CG2 3.67Å; I177-V250 HydrophobicContact CG1-CG2 4.46Å; V195-V250 HydrophobicContact CG1-CG1 4.38Å; I197-V250 HydrophobicContact CD1-CB 3.93Å; I197-V250 HydrophobicContact CD1-CG1 4.2Å; I197-V250 HydrophobicContact CD1-CG2 3.82Å; I197-V250 HydrophobicContact CG1-CG2 4.4Å; L207-V250 HydrophobicContact CD1-CG1 4.44Å; V242-V250 HydrophobicContact CB-CB 4.29Å; V242-V250 PolarHBondContact N-O 3.19Å; V242-V250 PolarHBondContact O-N 2.87Å; V250-V258 HydrophobicContact CG1-CG1 4.1Å; V250-E259 CarbonylContact C-O 3.59Å; V250-E259 VanDerWaalsContact CA-O 3.32Å; V250-E259 WeakPolarHBondContact CA-O 3.32Å; V250-V260 HydrophobicContact CG1-CG2 4.5Å; V250-V260 HydrophobicContact CG2-CG2 4.4Å
251V98.5Very high96.2Very high14 Ų1431.1 Ų31.19%0.08517%0.171CC..EExtended strand (participates in β ladder)trans-110.3136.7174.4-173.90000109.7R239 I240 L241 V258 E259R239-V251 HydrophobicContact CB-CG1 3.8Å; I240-V251 CarbonylContact O-C 3.42Å; I240-V251 VanDerWaalsContact O-CA 3.28Å; I240-V251 WeakPolarHBondContact O-CA 3.31Å; L241-V251 HydrophobicContact CD1-CG2 3.74Å; V251-V258 WeakPolarHBondContact O-CA 3.4Å; V251-E259 HydrophobicContact CB-CB 4.22Å; V251-E259 PolarHBondContact N-O 2.98Å; V251-E259 PolarHBondContact O-N 3.48Å
252W98Very high96.1Very high0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-139.5125-177178.6-114.6000111T192 V195 L207 I240 G254 G256 Q257 V258T192-W252 HydrophobicContact CG2-CH2 3.76Å; T192-W252 HydrophobicContact CG2-CZ3 3.83Å; T192-W252 WeakPolarHBondContact O-CH2 3.36Å; T192-W252 VanDerWaalsContact O-CZ2 3.32Å; T192-W252 WeakPolarHBondContact O-CZ2 3.49Å; V195-W252 HydrophobicContact CG2-CD2 3.83Å; V195-W252 HydrophobicContact CG2-CE3 3.58Å; V195-W252 HydrophobicContact CG2-CG 4.42Å; V195-W252 HydrophobicContact CG2-CZ3 3.97Å; L207-W252 HydrophobicContact CB-CB 4.46Å; L207-W252 HydrophobicContact CB-CG 4.05Å; L207-W252 HydrophobicContact CD1-CB 3.61Å; L207-W252 HydrophobicContact CD1-CG 4.08Å; I240-W252 HydrophobicContact CB-CB 4.44Å; I240-W252 PolarHBondContact N-O 2.92Å; I240-W252 PolarHBondContact O-N 3.35Å; W252-G254 VanDerWaalsContact NE1-CA 3.28Å; W252-G256 VanDerWaalsContact CH2-N 3.29Å; W252-G256 VanDerWaalsContact CZ3-O 3.27Å; W252-G256 WeakPolarHBondContact CZ3-O 3.43Å; W252-Q257 VanDerWaalsContact CE3-C 3.48Å; W252-Q257 VanDerWaalsContact CZ3-O 3.29Å; W252-Q257 WeakPolarHBondContact CZ3-O 3.42Å; W252-V258 HydrophobicContact CE3-CB 4.08Å; W252-V258 HydrophobicContact CE3-CG1 4.44Å; W252-V258 HydrophobicContact CE3-CG2 3.47Å; W252-V258 VanDerWaalsContact CE3-CG2 3.47Å; W252-V258 HydrophobicContact CH2-CG2 4.44Å; W252-V258 HydrophobicContact CZ3-CB 4.23Å; W252-V258 HydrophobicContact CZ3-CG2 3.26Å
253D96.5Very high96Very high18 Ų1832.4 Ų32.410%0.09618%0.18CC..  trans-76.9-21.6-178.269.3-13.6000113.9K211 R239 S255 G256 Q257K211-D253 WeakPolarHBondContact CE-O 3.49Å; R239-D253 HydrophobicContact CG-CB 4.46Å; D253-S255 PolarHBondContact OD1-N 2.99Å; D253-S255 PolarHBondContact OD1-OG 3.36Å; D253-S255 PolarHBondContact OD2-OG 3.33Å; D253-G256 PolarHBondContact OD1-N 3.14Å; D253-G256 PolarHBondContact OD2-N 3.43Å; D253-Q257 HydrophobicContact CB-CB 4.23Å; D253-Q257 VanDerWaalsContact CG-N 3.28Å; D253-Q257 PolarHBondContact N-O 3.46Å; D253-Q257 PolarHBondContact OD1-N 2.89Å; D253-Q257 WeakPolarHBondContact OD2-CB 3.47Å; D253-Q257 WeakPolarHBondContact OD2-CG 3.28Å; D253-Q257 PolarHBondContact OD2-N 3.28Å
254G95.2Very high95.8Very high7 Ų729 Ų297%0.07217%0.172CC..SBendtrans93.8-5.3-172.600000114.9A210 W252A210-G254 PolarHBondContact N-O 2.94Å; W252-G254 VanDerWaalsContact NE1-CA 3.28Å
255S93.8Very high95.7Very high61 Ų6133.8 Ų33.843%0.42719%0.194SC..SBendtrans-131-8.4-169.536.30000115.8W191 D253W191-S255 VanDerWaalsContact CE3-O 3.26Å; D253-S255 PolarHBondContact OD1-N 2.99Å; D253-S255 PolarHBondContact OD1-OG 3.36Å; D253-S255 PolarHBondContact OD2-OG 3.33Å
256G93.6Very high95.8Very high0 Ų029.1 Ų29.10%017%0.168CC..SBendtrans155.2-30.3177.500000114.5T192 W252 D253T192-G256 WeakPolarHBondContact CB-O 3.35Å; W252-G256 VanDerWaalsContact CH2-N 3.29Å; W252-G256 VanDerWaalsContact CZ3-O 3.27Å; W252-G256 WeakPolarHBondContact CZ3-O 3.43Å; D253-G256 PolarHBondContact OD1-N 3.14Å; D253-G256 PolarHBondContact OD2-N 3.43Å
257Q96.7Very high96.2Very high74 Ų7429 Ų2935%0.34615%0.154SC..  trans-91.1120.7-169-57.8-176.2-15.100112.6V135 W252 D253V135-Q257 CarbonylContact O-C 3.57Å; V135-Q257 VanDerWaalsContact O-CA 3.24Å; V135-Q257 WeakPolarHBondContact O-CA 3.23Å; W252-Q257 VanDerWaalsContact CE3-C 3.48Å; W252-Q257 VanDerWaalsContact CZ3-O 3.29Å; W252-Q257 WeakPolarHBondContact CZ3-O 3.42Å; D253-Q257 HydrophobicContact CB-CB 4.23Å; D253-Q257 VanDerWaalsContact CG-N 3.28Å; D253-Q257 PolarHBondContact N-O 3.46Å; D253-Q257 PolarHBondContact OD1-N 2.89Å; D253-Q257 WeakPolarHBondContact OD2-CB 3.47Å; D253-Q257 WeakPolarHBondContact OD2-CG 3.28Å; D253-Q257 PolarHBondContact OD2-N 3.28Å
258V98.3Very high96.3Very high1 Ų130.3 Ų30.31%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-112.9135.9174.6-160.40000109.3S134 V135 L159 V179 T192 V195 V250 V251 W252 V260S134-V258 CarbonylContact C-O 3.52Å; S134-V258 VanDerWaalsContact CA-O 3.27Å; S134-V258 WeakPolarHBondContact CA-O 3.22Å; V135-V258 HydrophobicContact CB-CB 4.24Å; V135-V258 HydrophobicContact CB-CG2 4.19Å; V135-V258 HydrophobicContact CG2-CB 4.27Å; V135-V258 HydrophobicContact CG2-CG2 4.34Å; V135-V258 PolarHBondContact N-O 2.8Å; V135-V258 PolarHBondContact O-N 2.79Å; L159-V258 HydrophobicContact CD2-CB 4.46Å; L159-V258 HydrophobicContact CD2-CG1 4.01Å; V179-V258 HydrophobicContact CG1-CG2 4.22Å; T192-V258 HydrophobicContact CG2-CG2 3.85Å; V195-V258 HydrophobicContact CG1-CG1 4.48Å; V195-V258 HydrophobicContact CG2-CG1 4.18Å; V195-V258 HydrophobicContact CG2-CG2 3.73Å; V250-V258 HydrophobicContact CG1-CG1 4.1Å; V251-V258 WeakPolarHBondContact O-CA 3.4Å; W252-V258 HydrophobicContact CE3-CB 4.08Å; W252-V258 HydrophobicContact CE3-CG1 4.44Å; W252-V258 HydrophobicContact CE3-CG2 3.47Å; W252-V258 VanDerWaalsContact CE3-CG2 3.47Å; W252-V258 HydrophobicContact CH2-CG2 4.44Å; W252-V258 HydrophobicContact CZ3-CB 4.23Å; W252-V258 HydrophobicContact CZ3-CG2 3.26Å; V258-V260 HydrophobicContact CG1-CG2 4.25Å
259E98.6Very high96.1Very high56 Ų5634.6 Ų34.626%0.26218%0.184SC..EExtended strand (participates in β ladder)trans-122134.7163.9-62165.6-155.600109T132 C133 R239 V250 V251T132-E259 HydrophobicContact CG2-CB 4.15Å; C133-E259 CarbonylContact O-C 3.52Å; C133-E259 WeakPolarHBondContact O-CA 3.28Å; R239-E259 IonicContact CZ-OE1 3.16Å; R239-E259 IonicContact NH1-OE1 2.75Å; R239-E259 PolarHBondContact NH1-OE1 3.4Å; R239-E259 IonicContact NH1-OE2 3.98Å; R239-E259 IonicContact NH2-OE2 3.41Å; V250-E259 CarbonylContact C-O 3.59Å; V250-E259 VanDerWaalsContact CA-O 3.32Å; V250-E259 WeakPolarHBondContact CA-O 3.32Å; V251-E259 HydrophobicContact CB-CB 4.22Å; V251-E259 PolarHBondContact N-O 2.98Å; V251-E259 PolarHBondContact O-N 3.48Å
260V98.7Very high96Very high0 Ų031.4 Ų31.40%017%0.17CC..EExtended strand (participates in β ladder)trans-121.5117.3174.3-178.40000107.4T132 C133 F144 L159 I177 P248 K249 V250 V258T132-V260 CarbonylContact C-O 3.58Å; T132-V260 WeakPolarHBondContact CA-O 3.35Å; C133-V260 PolarHBondContact N-O 2.66Å; C133-V260 PolarHBondContact O-N 2.84Å; F144-V260 HydrophobicContact CE1-CG1 4.4Å; F144-V260 WeakPolarHBondContact CE1-O 3.34Å; F144-V260 HydrophobicContact CZ-CB 4.48Å; F144-V260 HydrophobicContact CZ-CG1 4.09Å; L159-V260 HydrophobicContact CD2-CG2 3.66Å; L159-V260 HydrophobicContact CG-CG2 4.47Å; I177-V260 HydrophobicContact CD1-CG1 3.67Å; I177-V260 HydrophobicContact CD1-CG2 3.97Å; P248-V260 HydrophobicContact CB-CG1 3.73Å; P248-V260 HydrophobicContact CG-CG1 4.47Å; K249-V260 WeakPolarHBondContact O-CA 3.41Å; V250-V260 HydrophobicContact CG1-CG2 4.5Å; V250-V260 HydrophobicContact CG2-CG2 4.4Å; V258-V260 HydrophobicContact CG1-CG2 4.25Å
261T98.6Very high95.8Very high19 Ų1932.5 Ų32.512%0.11718%0.178CC..EExtended strand (participates in β ladder)trans-112.6130.8-179.8-54.90000110.4E130 A131 T132 P248 K249E130-T261 HydrophobicContact CB-CG2 3.65Å; E130-T261 HydrophobicContact CG-CG2 4.44Å; E130-T261 VanDerWaalsContact OE2-CG2 3.32Å; E130-T261 WeakPolarHBondContact OE2-CG2 3.19Å; A131-T261 CarbonylContact O-C 3.49Å; A131-T261 WeakPolarHBondContact O-CA 3.31Å; T132-T261 PolarHBondContact OG1-OG1 3.41Å; P248-T261 CarbonylContact C-O 3.55Å; P248-T261 VanDerWaalsContact CA-O 3.26Å; P248-T261 WeakPolarHBondContact CA-O 3.39Å; K249-T261 PolarHBondContact N-O 3.45Å; K249-T261 PolarHBondContact O-N 3.19Å
262V97.6Very high95.8Very high1 Ų131.9 Ų31.91%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-125.1149.7-178.9-67.10000111.4E130 A131 F144 P248 Y266 L270 Y277E130-V262 WeakPolarHBondContact CA-O 3.38Å; E130-V262 WeakPolarHBondContact CB-O 3.44Å; A131-V262 HydrophobicContact CB-CG2 4.29Å; A131-V262 PolarHBondContact N-O 2.99Å; A131-V262 PolarHBondContact O-N 3.38Å; F144-V262 HydrophobicContact CD1-CG2 3.83Å; F144-V262 HydrophobicContact CE1-CG1 4.17Å; F144-V262 HydrophobicContact CE1-CG2 3.65Å; F144-V262 HydrophobicContact CG-CG2 4.48Å; F144-V262 HydrophobicContact CZ-CG1 4.14Å; F144-V262 HydrophobicContact CZ-CG2 4.17Å; P248-V262 HydrophobicContact CB-CG1 3.87Å; V262-Y266 HydrophobicContact CB-CD2 3.99Å; V262-Y266 HydrophobicContact CB-CG 4.45Å; V262-Y266 HydrophobicContact CG1-CD2 4.33Å; V262-L270 HydrophobicContact CB-CD1 4.45Å; V262-L270 HydrophobicContact CG1-CD1 4.03Å; V262-L270 HydrophobicContact CG2-CD1 4.04Å; V262-Y277 HydrophobicContact CG2-CD1 3.8Å; V262-Y277 HydrophobicContact CG2-CE1 3.75Å
263T95.7Very high95.8Very high39 Ų3931.9 Ų31.924%0.23917%0.174CC..  trans-81.1159.7173.156.70000111E130 Q265 Y266E130-T263 HydrophobicContact CG-CG2 4.39Å; T263-Q265 PolarHBondContact O-N 3.28Å; T263-Q265 VanDerWaalsContact OG1-CG 3.22Å; T263-Q265 WeakPolarHBondContact OG1-CG 3.29Å; T263-Q265 PolarHBondContact OG1-NE2 3.08Å; T263-Y266 PolarHBondContact O-N 2.83Å; T263-Y266 VanDerWaalsContact O-N 3.12Å
264P94.6Very high95.9Very high39 Ų3931 Ų3125%0.25317%0.17SC..G310 helixtrans-52.3-23.2177.9-30.536.4000116E128 Y266 K267E128-P264 HydrophobicContact CB-CB 4.09Å; E128-P264 HydrophobicContact CB-CG 3.61Å; E128-P264 HydrophobicContact CG-CB 4.15Å; E128-P264 HydrophobicContact CG-CG 3.79Å; E128-P264 WeakPolarHBondContact O-CG 3.28Å; P264-Y266 PolarHBondContact O-N 2.87Å; P264-K267 VanDerWaalsContact O-CB 3.23Å; P264-K267 WeakPolarHBondContact O-CB 3.39Å; P264-K267 PolarHBondContact O-N 3.04Å
265Q92.7Very high96.1Very high115 Ų11530.9 Ų30.954%0.53717%0.168SC..G310 helixtrans-60.6-13.8176.879.9-164.21.200114.6T263 R269T263-Q265 PolarHBondContact O-N 3.28Å; T263-Q265 VanDerWaalsContact OG1-CG 3.22Å; T263-Q265 WeakPolarHBondContact OG1-CG 3.29Å; T263-Q265 PolarHBondContact OG1-NE2 3.08Å; Q265-R269 PolarHBondContact O-NH1 2.84Å
266Y93.7Very high96.2Very high8 Ų829.2 Ų29.23%0.03115%0.154CC..G310 helixtrans-96.50.1177-69.8-71.8000113.9F175 G247 V262 T263 P264 G268 R269 L270F175-Y266 HydrophobicContact CE1-CD1 4.23Å; F175-Y266 AromaticContact CE1-CE1 3.73Å; F175-Y266 HydrophobicContact CE1-CE1 3.73Å; G247-Y266 VanDerWaalsContact CA-OH 3.26Å; G247-Y266 WeakPolarHBondContact CA-OH 3.39Å; G247-Y266 PolarHBondContact N-OH 2.81Å; V262-Y266 HydrophobicContact CB-CD2 3.99Å; V262-Y266 HydrophobicContact CB-CG 4.45Å; V262-Y266 HydrophobicContact CG1-CD2 4.33Å; T263-Y266 PolarHBondContact O-N 2.83Å; T263-Y266 VanDerWaalsContact O-N 3.12Å; P264-Y266 PolarHBondContact O-N 2.87Å; Y266-G268 PolarHBondContact O-N 2.92Å; Y266-R269 WeakPolarHBondContact O-CB 3.28Å; Y266-R269 PolarHBondContact O-N 2.85Å; Y266-L270 HydrophobicContact CD1-CD2 3.91Å; Y266-L270 HydrophobicContact CG-CD2 4.26Å
267K94Very high96.3Very high72 Ų7229.5 Ų29.531%0.31316%0.155SC..THydrogen-bonded Turntrans-59.1126.3-178.1-159.4172.7-161.8167.70111.1E128 P264 R269 Y277 S279E128-K267 WeakPolarHBondContact OE1-CD 3.4Å; E128-K267 WeakPolarHBondContact OE1-CE 3.27Å; E128-K267 IonicContact OE1-NZ 3.92Å; E128-K267 PolarHBondContact OE1-NZ 3.38Å; P264-K267 VanDerWaalsContact O-CB 3.23Å; P264-K267 WeakPolarHBondContact O-CB 3.39Å; P264-K267 PolarHBondContact O-N 3.04Å; K267-R269 PolarHBondContact O-N 3.4Å; K267-Y277 CarbonylContact C-O 3.51Å; K267-Y277 WeakPolarHBondContact CA-O 3.38Å; K267-Y277 HydrophobicContact CB-CD1 4.28Å; K267-Y277 HydrophobicContact CB-CE1 4.06Å; K267-Y277 HydrophobicContact CG-CE1 4.49Å; K267-Y277 WeakPolarHBondContact CG-O 3.47Å; K267-S279 WeakPolarHBondContact CE-OG 3.48Å; K267-S279 PolarHBondContact NZ-OG 2.95Å
268G93.9Very high96.3Very high40 Ų4028.6 Ų28.641%0.41215%0.152SC..THydrogen-bonded Turntrans70.79.5-176.900000114.8Y266 Y277Y266-G268 PolarHBondContact O-N 2.92Å; G268-Y277 PolarHBondContact N-O 2.83Å
269R93Very high96.1Very high90 Ų9031.8 Ų31.834%0.3418%0.175SC..  trans-117.24.5-174.1-59.1175.371.2-155.41.2113.1E162 C163 Q265 Y266 K267E162-R269 CarbonylContact C-O 3.44Å; E162-R269 WeakPolarHBondContact CA-O 3.45Å; E162-R269 HydrophobicContact CG-CB 4.48Å; E162-R269 WeakPolarHBondContact CG-O 3.27Å; E162-R269 IonicContact OE1-CZ 2.73Å; E162-R269 IonicContact OE1-NE 3.15Å; E162-R269 IonicContact OE1-NH1 2.66Å; E162-R269 IonicContact OE1-NH2 3.79Å; E162-R269 PolarHBondContact OE1-NH2 2.84Å; C163-R269 PolarHBondContact N-O 3.28Å; Q265-R269 PolarHBondContact O-NH1 2.84Å; Y266-R269 WeakPolarHBondContact O-CB 3.28Å; Y266-R269 PolarHBondContact O-N 2.85Å; K267-R269 PolarHBondContact O-N 3.4Å
270L95.4Very high96.1Very high5 Ų532.1 Ų32.13%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-105.5160.5-178.5-59.1-176.6000111.3F144 Q161 F175 V262 Y266 N276 Y277F144-L270 HydrophobicContact CD2-CD1 3.93Å; F144-L270 HydrophobicContact CE2-CD1 3.46Å; F144-L270 VanDerWaalsContact CE2-CD1 3.46Å; F144-L270 HydrophobicContact CZ-CD1 3.9Å; Q161-L270 WeakPolarHBondContact O-CA 3.16Å; F175-L270 HydrophobicContact CE1-CD2 4.36Å; F175-L270 HydrophobicContact CZ-CD2 3.71Å; V262-L270 HydrophobicContact CB-CD1 4.45Å; V262-L270 HydrophobicContact CG1-CD1 4.03Å; V262-L270 HydrophobicContact CG2-CD1 4.04Å; Y266-L270 HydrophobicContact CD1-CD2 3.91Å; Y266-L270 HydrophobicContact CG-CD2 4.26Å; L270-N276 VanDerWaalsContact O-CA 3.26Å; L270-N276 WeakPolarHBondContact O-CA 3.24Å; L270-Y277 HydrophobicContact CD1-CD1 4.19Å
271C96Very high96Very high24 Ų2433.8 Ų33.816%0.16219%0.192CC..EExtended strand (participates in β ladder)trans-154.7160.9161.774.70000111Q161 C163 G275 W303Q161-C271 PolarHBondContact N-O 2.8Å; Q161-C271 PolarHBondContact O-N 2.89Å; C163-C271 HydrophobicContact CB-CB 3.73Å; C163-C271 WeakPolarHBondContact CB-SG 3.48Å; C163-C271 WeakPolarHBondContact SG-CB 3.36Å; C163-C271 PolarHBondContact SG-N 3.02Å; C163-C271 CovalentContact SG-SG 2Å; C163-C271 PolarHBondContact SG-SG 2Å; C271-G275 WeakPolarHBondContact CA-O 3.37Å; C271-W303 HydrophobicContact CB-CH2 3.58Å; C271-W303 HydrophobicContact CB-CZ2 4.11Å; C271-W303 HydrophobicContact CB-CZ3 4.35Å; C271-W303 WeakPolarHBondContact SG-CH2 3.48Å
272G97.6Very high96Very high1 Ų141.3 Ų41.31%0.0122%0.223CC..SBendtrans142-164.8-17600000110.9L159 C274 G275 F299 W303L159-G272 CarbonylContact O-C 3.56Å; G272-C274 PolarHBondContact O-N 3.4Å; G272-G275 PolarHBondContact O-N 2.9Å; G272-F299 WeakPolarHBondContact O-CZ 3.18Å; G272-W303 PolarHBondContact O-NE1 2.86Å
273L98.5Very high95.9Very high0 Ų042.4 Ų42.40%023%0.229CC..THydrogen-bonded Turntrans-60.6-27.9171.2-68.5179.4000112.7Y141 Y149 F151 Y157 I158 L159 V179 G275 F299 W303Y141-L273 HydrophobicContact CD1-CB 4.36Å; Y141-L273 HydrophobicContact CE1-CB 4.25Å; Y141-L273 HydrophobicContact CE1-CD1 3.7Å; Y149-L273 WeakPolarHBondContact OH-CB 3.4Å; Y149-L273 PolarHBondContact OH-O 2.84Å; F151-L273 HydrophobicContact CD1-CD2 4.44Å; Y157-L273 HydrophobicContact CG-CD1 4.22Å; I158-L273 WeakPolarHBondContact O-CG 3.4Å; I158-L273 PolarHBondContact O-N 2.76Å; L159-L273 HydrophobicContact CD1-CB 4.18Å; L159-L273 PolarHBondContact O-N 2.85Å; L159-L273 VanDerWaalsContact O-N 3.08Å; V179-L273 HydrophobicContact CG2-CD1 4.47Å; L273-G275 PolarHBondContact O-N 2.82Å; L273-F299 HydrophobicContact CD2-CE1 4.19Å; L273-W303 HydrophobicContact CD2-CB 4.02Å; L273-W303 HydrophobicContact CD2-CG 4.28Å; L273-W303 HydrophobicContact CG-CB 4.2Å
274C98.6Very high96.1Very high0 Ų040.6 Ų40.60%022%0.218CC..THydrogen-bonded Turntrans-78.77.2178.3-670000115.3C133 T143 F144 L159 A160 G272C133-C274 HydrophobicContact CB-CB 3.53Å; C133-C274 WeakPolarHBondContact CB-SG 3.04Å; C133-C274 VanDerWaalsContact SG-CA 3.59Å; C133-C274 WeakPolarHBondContact SG-CB 3.45Å; C133-C274 CovalentContact SG-SG 2.02Å; C133-C274 PolarHBondContact SG-SG 2.95Å; T143-C274 WeakPolarHBondContact CB-O 3.23Å; F144-C274 HydrophobicContact CD2-CB 3.66Å; F144-C274 WeakPolarHBondContact CD2-O 3.15Å; F144-C274 HydrophobicContact CE2-CB 3.3Å; F144-C274 HydrophobicContact CZ-CB 3.9Å; F144-C274 PolarHBondContact N-O 2.87Å; F144-C274 VanDerWaalsContact N-O 3.13Å; L159-C274 WeakPolarHBondContact CD1-SG 3.37Å; L159-C274 VanDerWaalsContact CG-SG 3.55Å; L159-C274 WeakPolarHBondContact O-CB 3.41Å; L159-C274 PolarHBondContact O-N 2.85Å; L159-C274 PolarHBondContact O-SG 2.78Å; A160-C274 HydrophobicContact CB-CB 4.39Å; G272-C274 PolarHBondContact O-N 3.4Å
275G97.8Very high96.2Very high3 Ų339 Ų393%0.03121%0.207CC..  trans81.3-166.3-178.200000113.6C271 G272 L273 D284C271-G275 WeakPolarHBondContact CA-O 3.37Å; G272-G275 PolarHBondContact O-N 2.9Å; L273-G275 PolarHBondContact O-N 2.82Å; G275-D284 VanDerWaalsContact CA-OD1 3.3Å; G275-D284 WeakPolarHBondContact CA-OD1 3.39Å
276N96.5Very high96.4Very high26 Ų2637.1 Ų37.114%0.13920%0.198CC..  trans-103-7.8-176.262.610.1000114D145 L270 N278 D283D145-N276 PolarHBondContact OD2-OD1 3.47Å; L270-N276 VanDerWaalsContact O-CA 3.26Å; L270-N276 WeakPolarHBondContact O-CA 3.24Å; N276-N278 PolarHBondContact ND2-ND2 2.94Å; N276-N278 PolarHBondContact OD1-N 2.85Å; N276-N278 PolarHBondContact OD1-OD1 2.91Å; N276-N278 VanDerWaalsContact OD1-OD1 3.13Å; N276-D283 PolarHBondContact ND2-OD1 3.16Å; N276-D283 PolarHBondContact OD1-OD1 2.85Å
277Y96.9Very high96.6Very high7 Ų737.4 Ų37.43%0.02720%0.2CC..  trans57.159.8-179.9-177.8-144.3000112.4A131 F144 D145 V262 K267 G268 L270A131-Y277 HydrophobicContact CB-CD2 3.84Å; A131-Y277 HydrophobicContact CB-CE1 4.28Å; A131-Y277 HydrophobicContact CB-CE2 3.21Å; A131-Y277 VanDerWaalsContact CB-CZ 3.46Å; F144-Y277 HydrophobicContact CB-CD2 3.65Å; F144-Y277 HydrophobicContact CB-CG 3.85Å; F144-Y277 HydrophobicContact CG-CD2 4.45Å; F144-Y277 HydrophobicContact CG-CG 4.24Å; D145-Y277 WeakPolarHBondContact OD2-CA 3.26Å; D145-Y277 PolarHBondContact OD2-N 2.73Å; V262-Y277 HydrophobicContact CG2-CD1 3.8Å; V262-Y277 HydrophobicContact CG2-CE1 3.75Å; K267-Y277 CarbonylContact C-O 3.51Å; K267-Y277 WeakPolarHBondContact CA-O 3.38Å; K267-Y277 HydrophobicContact CB-CD1 4.28Å; K267-Y277 HydrophobicContact CB-CE1 4.06Å; K267-Y277 HydrophobicContact CG-CE1 4.49Å; K267-Y277 WeakPolarHBondContact CG-O 3.47Å; G268-Y277 PolarHBondContact N-O 2.83Å; L270-Y277 HydrophobicContact CD1-CD1 4.19Å
278N95.5Very high96.5Very high54 Ų5439.3 Ų39.329%0.28921%0.208SC..SBendtrans-118.514.4-178.971.3-3.7000113.4D145 N276 N280 D283D145-N278 PolarHBondContact OD1-N 2.93Å; D145-N278 PolarHBondContact OD2-N 3.42Å; D145-N278 PolarHBondContact OD2-OD1 3.18Å; N276-N278 PolarHBondContact ND2-ND2 2.94Å; N276-N278 PolarHBondContact OD1-N 2.85Å; N276-N278 PolarHBondContact OD1-OD1 2.91Å; N276-N278 VanDerWaalsContact OD1-OD1 3.13Å; N278-N280 PolarHBondContact O-N 3.29Å; N278-N280 WeakPolarHBondContact OD1-CA 3.43Å; N278-N280 VanDerWaalsContact OD1-CB 3.27Å; N278-N280 WeakPolarHBondContact OD1-CB 3.45Å; N278-N280 PolarHBondContact OD1-N 2.79Å; N278-D283 PolarHBondContact ND2-OD1 3.4Å; N278-D283 PolarHBondContact ND2-OD2 2.95Å
279S95.1Very high96.4Very high69 Ų6942 Ų4248%0.48322%0.221SC..SBendtrans64.618-171.3-62.10000115D145 K267D145-S279 VanDerWaalsContact CG-N 3.27Å; D145-S279 VanDerWaalsContact OD1-CA 3.23Å; D145-S279 WeakPolarHBondContact OD1-CA 3.25Å; D145-S279 PolarHBondContact OD1-N 3.15Å; D145-S279 PolarHBondContact OD2-N 3.33Å; K267-S279 WeakPolarHBondContact CE-OG 3.48Å; K267-S279 PolarHBondContact NZ-OG 2.95Å
280N97.2Very high96.4Very high63 Ų6340.2 Ų40.234%0.33723%0.23SC..  trans-126.287.8177.9-17820.5000112.8N278 K282 D283N278-N280 PolarHBondContact O-N 3.29Å; N278-N280 WeakPolarHBondContact OD1-CA 3.43Å; N278-N280 VanDerWaalsContact OD1-CB 3.27Å; N278-N280 WeakPolarHBondContact OD1-CB 3.45Å; N278-N280 PolarHBondContact OD1-N 2.79Å; N280-K282 PolarHBondContact O-N 2.94Å; N280-K282 WeakPolarHBondContact OD1-CB 3.4Å; N280-K282 PolarHBondContact OD1-N 2.82Å; N280-D283 PolarHBondContact ND2-OD2 2.83Å; N280-D283 PolarHBondContact O-N 3.29Å; N280-D283 VanDerWaalsContact O-N 3.08Å
281A97.5Very high96.4Very high35 Ų3543.7 Ų43.729%0.28925%0.252SS..THydrogen-bonded Turntrans-51.9-23.4176.300000115.1D145 R147 D283 D284D145-A281 HydrophobicContact CB-CB 4.39Å; R147-A281 HydrophobicContact CB-CB 4.05Å; R147-A281 WeakPolarHBondContact CD-O 3.46Å; R147-A281 PolarHBondContact NH1-O 2.82Å; A281-D283 VanDerWaalsContact C-N 3.28Å; A281-D283 PolarHBondContact O-N 3.27Å; A281-D284 WeakPolarHBondContact CA-OD2 3.43Å
282K97.7Very high96.5Very high176 Ų17646.7 Ų46.777%0.76527%0.266SS*.THydrogen-bonded Turntrans-68.7-28.7-177.7-62.9179.3-1801750112.2R147 N280R147-K282 PolarHBondContact NH1-O 2.88Å; N280-K282 PolarHBondContact O-N 2.94Å; N280-K282 WeakPolarHBondContact OD1-CB 3.4Å; N280-K282 PolarHBondContact OD1-N 2.82Å
283D97.2Very high96.5Very high24 Ų2448 Ų4813%0.12827%0.273CS..THydrogen-bonded Turntrans-102.7-1.4-174.175.932.3000114.5N276 N278 N280 A281 F285 F286 L292N276-D283 PolarHBondContact ND2-OD1 3.16Å; N276-D283 PolarHBondContact OD1-OD1 2.85Å; N278-D283 PolarHBondContact ND2-OD1 3.4Å; N278-D283 PolarHBondContact ND2-OD2 2.95Å; N280-D283 PolarHBondContact ND2-OD2 2.83Å; N280-D283 PolarHBondContact O-N 3.29Å; N280-D283 VanDerWaalsContact O-N 3.08Å; A281-D283 VanDerWaalsContact C-N 3.28Å; A281-D283 PolarHBondContact O-N 3.27Å; D283-F285 PolarHBondContact O-N 2.86Å; D283-F286 HydrophobicContact CB-CD2 4.23Å; D283-F286 HydrophobicContact CB-CE2 3.64Å; D283-F286 HydrophobicContact CB-CZ 4.42Å; D283-F286 WeakPolarHBondContact O-CD2 3.48Å; D283-F286 PolarHBondContact O-N 3.5Å; D283-L292 HydrophobicContact CB-CD1 4.47Å; D283-L292 WeakPolarHBondContact O-CD1 3.5Å
284D98.1Very high96.4Very high2 Ų257.7 Ų57.71%0.01132%0.316CS..THydrogen-bonded Turntrans-51.6-25.1179-86.4-34.1000115.3T143 R147 G275 A281 F286 F299T143-D284 VanDerWaalsContact CB-OD2 3.25Å; T143-D284 WeakPolarHBondContact CB-OD2 3.41Å; T143-D284 HydrophobicContact CG2-CB 4.04Å; T143-D284 PolarHBondContact OG1-OD2 2.75Å; R147-D284 HydrophobicContact CB-CB 4.37Å; R147-D284 WeakPolarHBondContact CB-OD2 3.43Å; G275-D284 VanDerWaalsContact CA-OD1 3.3Å; G275-D284 WeakPolarHBondContact CA-OD1 3.39Å; A281-D284 WeakPolarHBondContact CA-OD2 3.43Å; D284-F286 PolarHBondContact O-N 2.84Å; D284-F286 VanDerWaalsContact O-N 3.14Å; D284-F299 WeakPolarHBondContact O-CE2 3.38Å; D284-F299 WeakPolarHBondContact O-CZ 3.4Å
285F98.2Very high96.3Very high5 Ų559.8 Ų59.82%0.02233%0.33CS..THydrogen-bonded Turntrans-84.933.1-179.9-75.58.3000113.8R147 Y149 D283 T287 L292 V293 A296 F299R147-F285 VanDerWaalsContact NH2-CE2 3.33Å; Y149-F285 AromaticContact CD1-CE1 3.54Å; Y149-F285 HydrophobicContact CD1-CE1 3.54Å; Y149-F285 AromaticContact CD1-CZ 3.84Å; Y149-F285 HydrophobicContact CD1-CZ 3.84Å; Y149-F285 HydrophobicContact CD2-CE1 4.33Å; Y149-F285 HydrophobicContact CD2-CZ 4.13Å; Y149-F285 AromaticContact CE1-CE1 3.88Å; Y149-F285 HydrophobicContact CE1-CE1 3.88Å; Y149-F285 AromaticContact CG-CE1 3.79Å; Y149-F285 HydrophobicContact CG-CE1 3.79Å; Y149-F285 AromaticContact CG-CZ 3.61Å; Y149-F285 HydrophobicContact CG-CZ 3.61Å; D283-F285 PolarHBondContact O-N 2.86Å; F285-T287 PolarHBondContact O-N 3.36Å; F285-L292 HydrophobicContact CB-CD1 4.31Å; F285-V293 HydrophobicContact CB-CG2 4.29Å; F285-V293 WeakPolarHBondContact CB-O 3.26Å; F285-V293 WeakPolarHBondContact O-CG2 3.4Å; F285-V293 PolarHBondContact O-N 2.87Å; F285-V293 VanDerWaalsContact O-N 3.09Å; F285-A296 HydrophobicContact CE2-CB 3.82Å; F285-A296 HydrophobicContact CZ-CB 3.83Å; F285-F299 VanDerWaalsContact CA-CD2 3.43Å; F285-F299 HydrophobicContact CB-CB 4.14Å; F285-F299 HydrophobicContact CB-CD2 4.03Å; F285-F299 HydrophobicContact CB-CG 4.05Å; F285-F299 HydrophobicContact CD1-CB 4.27Å; F285-F299 AromaticContact CD1-CD1 3.44Å; F285-F299 HydrophobicContact CD1-CD1 3.44Å; F285-F299 VanDerWaalsContact CD1-CD1 3.44Å; F285-F299 HydrophobicContact CD1-CD2 4.12Å; F285-F299 AromaticContact CD1-CE1 3.65Å; F285-F299 HydrophobicContact CD1-CE1 3.65Å; F285-F299 HydrophobicContact CD1-CE2 4.27Å; F285-F299 AromaticContact CD1-CG 3.68Å; F285-F299 HydrophobicContact CD1-CG 3.68Å; F285-F299 HydrophobicContact CD1-CZ 4.05Å; F285-F299 HydrophobicContact CD2-CB 4.17Å; F285-F299 HydrophobicContact CD2-CG 4.46Å; F285-F299 AromaticContact CE1-CD1 3.58Å; F285-F299 HydrophobicContact CE1-CD1 3.58Å; F285-F299 AromaticContact CE1-CE1 3.78Å; F285-F299 HydrophobicContact CE1-CE1 3.78Å; F285-F299 HydrophobicContact CE1-CG 4.23Å; F285-F299 HydrophobicContact CG-CB 3.95Å; F285-F299 HydrophobicContact CG-CD1 4.02Å; F285-F299 HydrophobicContact CG-CD2 4.24Å; F285-F299 AromaticContact CG-CG 3.81Å; F285-F299 HydrophobicContact CG-CG 3.81Å; F285-F299 HydrophobicContact CZ-CD1 4.26Å
286F97.2Very high96.3Very high76 Ų7660.2 Ų60.233%0.33333%0.334SS..BIsolated β-bridgetrans-64.9122.2164.1-82.2-66.7000110.4D283 D284 G290 L292 F299 W303D283-F286 HydrophobicContact CB-CD2 4.23Å; D283-F286 HydrophobicContact CB-CE2 3.64Å; D283-F286 HydrophobicContact CB-CZ 4.42Å; D283-F286 WeakPolarHBondContact O-CD2 3.48Å; D283-F286 PolarHBondContact O-N 3.5Å; D284-F286 PolarHBondContact O-N 2.84Å; D284-F286 VanDerWaalsContact O-N 3.14Å; F286-G290 WeakPolarHBondContact CD1-O 3.29Å; F286-L292 HydrophobicContact CD1-CB 4.05Å; F286-L292 HydrophobicContact CE1-CB 3.82Å; F286-L292 HydrophobicContact CZ-CB 4.36Å; F286-F299 WeakPolarHBondContact O-CD2 3.29Å; F286-F299 VanDerWaalsContact O-CE2 3.28Å; F286-F299 WeakPolarHBondContact O-CE2 3.33Å; F286-W303 WeakPolarHBondContact O-CZ2 3.38Å; F286-W303 PolarHBondContact O-NE1 3.49Å
287T96.3Very high96.2Very high13 Ų1363.5 Ų63.58%0.0835%0.348CS..  trans-71.9165.3174.157.80000111.1F285 S289 G290 T291 V293 S302F285-T287 PolarHBondContact O-N 3.36Å; T287-S289 PolarHBondContact O-N 3.28Å; T287-S289 PolarHBondContact OG1-OG 3.44Å; T287-S289 VanDerWaalsContact OG1-OG 3.13Å; T287-G290 PolarHBondContact O-N 3.13Å; T287-T291 WeakPolarHBondContact CB-O 3.48Å; T287-T291 WeakPolarHBondContact CG2-O 3.23Å; T287-T291 PolarHBondContact N-O 3.41Å; T287-T291 WeakPolarHBondContact OG1-CB 3.49Å; T287-T291 PolarHBondContact OG1-N 2.86Å; T287-T291 VanDerWaalsContact OG1-N 3.09Å; T287-T291 PolarHBondContact OG1-O 2.86Å; T287-V293 HydrophobicContact CG2-CB 4.48Å; T287-V293 HydrophobicContact CG2-CG1 3.78Å; T287-V293 HydrophobicContact CG2-CG2 3.85Å; T287-S302 VanDerWaalsContact CA-OG 3.27Å; T287-S302 WeakPolarHBondContact CA-OG 3.46Å; T287-S302 WeakPolarHBondContact CB-OG 3.47Å
288K93.1Very high96.1Very high113 Ų11371.5 Ų71.549%0.49138%0.378SS..THydrogen-bonded Turntrans-54.4-22.7174.2-170.6174.2-177.8-179.90114.6S302 W303K288-S302 VanDerWaalsContact CB-O 3.28Å; K288-S302 WeakPolarHBondContact CB-O 3.35Å; K288-S302 PolarHBondContact N-OG 2.81Å; K288-W303 HydrophobicContact CB-CD2 4.28Å; K288-W303 HydrophobicContact CB-CE3 4.01Å; K288-W303 HydrophobicContact CB-CH2 4.24Å; K288-W303 HydrophobicContact CB-CZ3 4Å; K288-W303 HydrophobicContact CD-CE3 4.41Å; K288-W303 HydrophobicContact CG-CE3 4.16Å; K288-W303 HydrophobicContact CG-CH2 4.47Å; K288-W303 HydrophobicContact CG-CZ3 3.94Å
289S92.2Very high96.2Very high97 Ų9769 Ų6968%0.67837%0.365SS*.THydrogen-bonded Turntrans-90.76.2175.4570000114.2T287 T291T287-S289 PolarHBondContact O-N 3.28Å; T287-S289 PolarHBondContact OG1-OG 3.44Å; T287-S289 VanDerWaalsContact OG1-OG 3.13Å; S289-T291 PolarHBondContact OG-OG1 3.17Å
290G92.4Very high96.3Very high52 Ų5265.7 Ų65.754%0.53634%0.342SS..SBendtrans80.910.1-178.300000114.8F286 T287F286-G290 WeakPolarHBondContact CD1-O 3.29Å; T287-G290 PolarHBondContact O-N 3.13Å
291T95.7Very high96.2Very high77 Ų7766 Ų6647%0.47234%0.338SS..  trans-93.1124.2179.3-45.70000110.4T287 S289T287-T291 WeakPolarHBondContact CB-O 3.48Å; T287-T291 WeakPolarHBondContact CG2-O 3.23Å; T287-T291 PolarHBondContact N-O 3.41Å; T287-T291 WeakPolarHBondContact OG1-CB 3.49Å; T287-T291 PolarHBondContact OG1-N 2.86Å; T287-T291 VanDerWaalsContact OG1-N 3.09Å; T287-T291 PolarHBondContact OG1-O 2.86Å; S289-T291 PolarHBondContact OG-OG1 3.17Å
292L97.6Very high96.1Very high88 Ų8865.8 Ų65.846%0.46134%0.335SS..BIsolated β-bridgetrans-71.7129.8172.2-178.261000110.6D283 F285 F286D283-L292 HydrophobicContact CB-CD1 4.47Å; D283-L292 WeakPolarHBondContact O-CD1 3.5Å; F285-L292 HydrophobicContact CB-CD1 4.31Å; F286-L292 HydrophobicContact CD1-CB 4.05Å; F286-L292 HydrophobicContact CE1-CB 3.82Å; F286-L292 HydrophobicContact CZ-CB 4.36Å
293V97.8Very high96Very high28 Ų2857.9 Ų57.917%0.1730%0.3CS..  trans-127.5155.8177.9-61.40000111.8F285 T287 R298 F299F285-V293 HydrophobicContact CB-CG2 4.29Å; F285-V293 WeakPolarHBondContact CB-O 3.26Å; F285-V293 WeakPolarHBondContact O-CG2 3.4Å; F285-V293 PolarHBondContact O-N 2.87Å; F285-V293 VanDerWaalsContact O-N 3.09Å; T287-V293 HydrophobicContact CG2-CB 4.48Å; T287-V293 HydrophobicContact CG2-CG1 3.78Å; T287-V293 HydrophobicContact CG2-CG2 3.85Å; V293-R298 HydrophobicContact CG2-CB 4.24Å; V293-F299 HydrophobicContact CG2-CB 3.77Å
294K96.7Very high95.9Very high204 Ų20459.2 Ų59.289%0.88730%0.303SS*.SBendtrans-86.6-31.7175.3-63.1-174.2179.5-176.90113.5
295S96.8Very high95.7Very high43 Ų4360.8 Ų60.830%0.30131%0.313SS..  trans-82.7122-174.8160.90000112Q297 R298 F299S295-Q297 PolarHBondContact O-N 2.83Å; S295-Q297 PolarHBondContact OG-N 3.48Å; S295-Q297 PolarHBondContact OG-OE1 3.4Å; S295-R298 PolarHBondContact O-N 2.84Å; S295-R298 VanDerWaalsContact O-N 3.15Å; S295-R298 PolarHBondContact OG-N 3.39Å; S295-F299 WeakPolarHBondContact O-CB 3.38Å; S295-F299 PolarHBondContact O-N 2.89Å
296A96.9Very high95.3Very high13 Ų1363.8 Ų63.811%0.10735%0.345CS..Hα-helixtrans-56-37.117300000112.1Y149 F285 F299 G300Y149-A296 HydrophobicContact CD2-CB 3.94Å; Y149-A296 HydrophobicContact CG-CB 4.41Å; F285-A296 HydrophobicContact CE2-CB 3.82Å; F285-A296 HydrophobicContact CZ-CB 3.83Å; A296-F299 PolarHBondContact O-N 3.39Å; A296-G300 PolarHBondContact O-N 3.42Å
297Q94.3Very high94.6Very high94 Ų9463.1 Ų63.144%0.43935%0.35SS..Hα-helixtrans-68.1-40.6178.5-57.178.21100111.9S295 R301S295-Q297 PolarHBondContact O-N 2.83Å; S295-Q297 PolarHBondContact OG-N 3.48Å; S295-Q297 PolarHBondContact OG-OE1 3.4Å; Q297-R301 VanDerWaalsContact O-CB 3.27Å; Q297-R301 WeakPolarHBondContact O-CB 3.09Å; Q297-R301 WeakPolarHBondContact O-CD 3.49Å; Q297-R301 WeakPolarHBondContact O-CG 3.27Å; Q297-R301 PolarHBondContact O-N 3.23Å; Q297-R301 VanDerWaalsContact O-N 3.16Å
298R95.6Very high93.8Very high176 Ų17665.5 Ų65.566%0.66436%0.357SS*.Hα-helixtrans-67.5-44174.7-76.5-170.4171.8-167.91.4111.2V293 S295 S302V293-R298 HydrophobicContact CG2-CB 4.24Å; S295-R298 PolarHBondContact O-N 2.84Å; S295-R298 VanDerWaalsContact O-N 3.15Å; S295-R298 PolarHBondContact OG-N 3.39Å; R298-S302 PolarHBondContact O-N 2.87Å
299F97.7Very high93.2Very high0 Ų068 Ų680%036%0.363CS..Hα-helixtrans-57.4-58.3175.8166.2-114.4000111.1Y149 G272 L273 D284 F285 F286 V293 S295 A296 R301 S302 W303Y149-F299 HydrophobicContact CE1-CE1 4.03Å; Y149-F299 HydrophobicContact CE2-CD1 4.26Å; Y149-F299 HydrophobicContact CE2-CE1 4.18Å; Y149-F299 AromaticContact CZ-CE1 3.64Å; G272-F299 WeakPolarHBondContact O-CZ 3.18Å; L273-F299 HydrophobicContact CD2-CE1 4.19Å; D284-F299 WeakPolarHBondContact O-CE2 3.38Å; D284-F299 WeakPolarHBondContact O-CZ 3.4Å; F285-F299 VanDerWaalsContact CA-CD2 3.43Å; F285-F299 HydrophobicContact CB-CB 4.14Å; F285-F299 HydrophobicContact CB-CD2 4.03Å; F285-F299 HydrophobicContact CB-CG 4.05Å; F285-F299 HydrophobicContact CD1-CB 4.27Å; F285-F299 AromaticContact CD1-CD1 3.44Å; F285-F299 HydrophobicContact CD1-CD1 3.44Å; F285-F299 VanDerWaalsContact CD1-CD1 3.44Å; F285-F299 HydrophobicContact CD1-CD2 4.12Å; F285-F299 AromaticContact CD1-CE1 3.65Å; F285-F299 HydrophobicContact CD1-CE1 3.65Å; F285-F299 HydrophobicContact CD1-CE2 4.27Å; F285-F299 AromaticContact CD1-CG 3.68Å; F285-F299 HydrophobicContact CD1-CG 3.68Å; F285-F299 HydrophobicContact CD1-CZ 4.05Å; F285-F299 HydrophobicContact CD2-CB 4.17Å; F285-F299 HydrophobicContact CD2-CG 4.46Å; F285-F299 AromaticContact CE1-CD1 3.58Å; F285-F299 HydrophobicContact CE1-CD1 3.58Å; F285-F299 AromaticContact CE1-CE1 3.78Å; F285-F299 HydrophobicContact CE1-CE1 3.78Å; F285-F299 HydrophobicContact CE1-CG 4.23Å; F285-F299 HydrophobicContact CG-CB 3.95Å; F285-F299 HydrophobicContact CG-CD1 4.02Å; F285-F299 HydrophobicContact CG-CD2 4.24Å; F285-F299 AromaticContact CG-CG 3.81Å; F285-F299 HydrophobicContact CG-CG 3.81Å; F285-F299 HydrophobicContact CZ-CD1 4.26Å; F286-F299 WeakPolarHBondContact O-CD2 3.29Å; F286-F299 VanDerWaalsContact O-CE2 3.28Å; F286-F299 WeakPolarHBondContact O-CE2 3.33Å; V293-F299 HydrophobicContact CG2-CB 3.77Å; S295-F299 WeakPolarHBondContact O-CB 3.38Å; S295-F299 PolarHBondContact O-N 2.89Å; A296-F299 PolarHBondContact O-N 3.39Å; F299-R301 PolarHBondContact O-N 2.91Å; F299-S302 WeakPolarHBondContact O-CB 3.43Å; F299-S302 PolarHBondContact O-N 2.91Å; F299-S302 PolarHBondContact O-OG 3.15Å; F299-W303 AromaticContact CD2-CD1 3.95Å; F299-W303 AromaticContact CD2-NE1 3.62Å; F299-W303 AromaticContact CE2-CD1 3.66Å; F299-W303 AromaticContact CE2-NE1 3.13Å; F299-W303 AromaticContact CZ-NE1 3.79Å
300G96.2Very high92.8Very high0 Ų065.9 Ų65.90%035%0.352CS..Hα-helixtrans-61.5-41.4-175.600000113.6Y157 A296 S302 W303Y157-G300 WeakPolarHBondContact CD1-O 3.41Å; A296-G300 PolarHBondContact O-N 3.42Å; G300-S302 PolarHBondContact O-N 2.87Å; G300-W303 PolarHBondContact O-N 3.13Å
301R94.5Very high92.7Very high69 Ų6963.5 Ų63.526%0.2633%0.327SS..Hα-helixtrans-62.4-29.3175.7-75.2174.4175.3162.84.1113.3F151 Q297 F299 W303 R304 D316F151-R301 HydrophobicContact CE2-CG 4.02Å; F151-R301 HydrophobicContact CZ-CG 4.17Å; Q297-R301 VanDerWaalsContact O-CB 3.27Å; Q297-R301 WeakPolarHBondContact O-CB 3.09Å; Q297-R301 WeakPolarHBondContact O-CD 3.49Å; Q297-R301 WeakPolarHBondContact O-CG 3.27Å; Q297-R301 PolarHBondContact O-N 3.23Å; Q297-R301 VanDerWaalsContact O-N 3.16Å; F299-R301 PolarHBondContact O-N 2.91Å; R301-W303 PolarHBondContact O-N 3.38Å; R301-R304 WeakPolarHBondContact O-CB 3.46Å; R301-R304 PolarHBondContact O-N 2.96Å; R301-D316 IonicContact NE-OD1 2.75Å; R301-D316 IonicContact NH2-OD1 3.83Å
302S95.3Very high92Very high32 Ų3265.1 Ų65.122%0.22433%0.328CS..Hα-helixtrans-67.7-26.6179.782.30000112.7T287 K288 R298 F299 G300 R304T287-S302 VanDerWaalsContact CA-OG 3.27Å; T287-S302 WeakPolarHBondContact CA-OG 3.46Å; T287-S302 WeakPolarHBondContact CB-OG 3.47Å; K288-S302 VanDerWaalsContact CB-O 3.28Å; K288-S302 WeakPolarHBondContact CB-O 3.35Å; K288-S302 PolarHBondContact N-OG 2.81Å; R298-S302 PolarHBondContact O-N 2.87Å; F299-S302 WeakPolarHBondContact O-CB 3.43Å; F299-S302 PolarHBondContact O-N 2.91Å; F299-S302 PolarHBondContact O-OG 3.15Å; G300-S302 PolarHBondContact O-N 2.87Å; S302-R304 VanDerWaalsContact C-N 3.31Å; S302-R304 PolarHBondContact O-N 2.89Å
303W96.5Very high91.1Very high10 Ų1062 Ų624%0.03831%0.312CS..THydrogen-bonded Turntrans-87.77.8-179.6-68.4111.5000114.3Y157 I158 C271 G272 L273 F286 K288 F299 G300 R301Y157-W303 WeakPolarHBondContact CA-O 3.41Å; I158-W303 HydrophobicContact CB-CE3 4.15Å; I158-W303 HydrophobicContact CD1-CE3 4.27Å; I158-W303 HydrophobicContact CG2-CE3 4.46Å; I158-W303 PolarHBondContact N-O 2.69Å; C271-W303 HydrophobicContact CB-CH2 3.58Å; C271-W303 HydrophobicContact CB-CZ2 4.11Å; C271-W303 HydrophobicContact CB-CZ3 4.35Å; C271-W303 WeakPolarHBondContact SG-CH2 3.48Å; G272-W303 PolarHBondContact O-NE1 2.86Å; L273-W303 HydrophobicContact CD2-CB 4.02Å; L273-W303 HydrophobicContact CD2-CG 4.28Å; L273-W303 HydrophobicContact CG-CB 4.2Å; F286-W303 WeakPolarHBondContact O-CZ2 3.38Å; F286-W303 PolarHBondContact O-NE1 3.49Å; K288-W303 HydrophobicContact CB-CD2 4.28Å; K288-W303 HydrophobicContact CB-CE3 4.01Å; K288-W303 HydrophobicContact CB-CH2 4.24Å; K288-W303 HydrophobicContact CB-CZ3 4Å; K288-W303 HydrophobicContact CD-CE3 4.41Å; K288-W303 HydrophobicContact CG-CE3 4.16Å; K288-W303 HydrophobicContact CG-CH2 4.47Å; K288-W303 HydrophobicContact CG-CZ3 3.94Å; F299-W303 AromaticContact CD2-CD1 3.95Å; F299-W303 AromaticContact CD2-NE1 3.62Å; F299-W303 AromaticContact CE2-CD1 3.66Å; F299-W303 AromaticContact CE2-NE1 3.13Å; F299-W303 AromaticContact CZ-NE1 3.79Å; G300-W303 PolarHBondContact O-N 3.13Å; R301-W303 PolarHBondContact O-N 3.38Å
304R95.5Very high89.6Confident52 Ų5264.7 Ų64.720%0.19632%0.323CS..EExtended strand (participates in β ladder)trans-62.8140.2177.6-168.2177.459.963.88.1111.5C155 R156 Y157 R301 S302 G306 H320C155-R304 HydrophobicContact CB-CG 3.94Å; R156-R304 CarbonylContact O-C 3.57Å; R156-R304 WeakPolarHBondContact O-CA 3.36Å; Y157-R304 HydrophobicContact CD1-CB 3.97Å; Y157-R304 HydrophobicContact CD1-CG 4.43Å; Y157-R304 HydrophobicContact CE1-CB 3.76Å; Y157-R304 HydrophobicContact CE1-CG 4.02Å; R301-R304 WeakPolarHBondContact O-CB 3.46Å; R301-R304 PolarHBondContact O-N 2.96Å; S302-R304 VanDerWaalsContact C-N 3.31Å; S302-R304 PolarHBondContact O-N 2.89Å; R304-G306 PolarHBondContact NH1-O 2.81Å; R304-H320 PolarHBondContact NE-NE2 3.39Å
305V93.6Very high88.4Confident35 Ų3561.6 Ų61.621%0.21231%0.312CS..EExtended strand (participates in β ladder)trans-118.6146.6173.1-67.30000111.9R156 I158 V178R156-V305 HydrophobicContact CB-CG2 3.54Å; R156-V305 WeakPolarHBondContact O-CG2 3.39Å; R156-V305 PolarHBondContact O-N 2.88Å; I158-V305 HydrophobicContact CD1-CG1 3.71Å; I158-V305 HydrophobicContact CG1-CG1 3.45Å; I158-V305 VanDerWaalsContact CG1-CG1 3.45Å; V178-V305 HydrophobicContact CG1-CG2 3.76Å; V178-V305 HydrophobicContact CG2-CG2 4.47Å
306G89.5Confident86.9Confident67 Ų6760 Ų6069%0.69130%0.3SS*.SBendtrans80.2-164-178.500000113.8R304R304-G306 PolarHBondContact NH1-O 2.81Å
307S83.1Confident85.5Confident62 Ų6263.7 Ų63.743%0.43431%0.311SS..  trans-78141.8-179.4-179.50000111.8R309 A310S307-R309 PolarHBondContact O-N 2.83Å; S307-R309 PolarHBondContact OG-N 2.81Å; S307-A310 WeakPolarHBondContact O-CB 3.27Å; S307-A310 PolarHBondContact O-N 2.83Å; S307-A310 VanDerWaalsContact O-N 3.14Å
308W78.8Confident84Confident63 Ų6366.8 Ų66.824%0.23932%0.319CS..G310 helixtrans-62.8-23.417468.9-91.4000112.4A310 C311 R317 H320 L321W308-A310 PolarHBondContact O-N 2.8Å; W308-C311 VanDerWaalsContact O-CB 3.23Å; W308-C311 WeakPolarHBondContact O-CB 3.27Å; W308-C311 PolarHBondContact O-N 3.05Å; W308-C311 VanDerWaalsContact O-N 3.11Å; W308-C311 PolarHBondContact O-SG 3.22Å; W308-R317 HydrophobicContact CE3-CB 4.18Å; W308-R317 HydrophobicContact CE3-CG 4.06Å; W308-R317 HydrophobicContact CZ3-CB 3.82Å; W308-R317 HydrophobicContact CZ3-CG 3.89Å; W308-H320 HydrophobicContact CB-CB 4.3Å; W308-H320 WeakPolarHBondContact CB-CD2 3.39Å; W308-H320 HydrophobicContact CD2-CB 3.97Å; W308-H320 HydrophobicContact CE3-CB 4.24Å; W308-H320 HydrophobicContact CG-CB 4Å; W308-H320 AromaticContact CG-CG 3.97Å; W308-L321 HydrophobicContact CH2-CD2 4.38Å; W308-L321 HydrophobicContact CH2-CG 4.46Å
309R81.7Confident82.5Confident165 Ų16561.6 Ų61.662%0.62330%0.301SS*.G310 helixtrans-64-22.7176.6-61-178.1-172149.2-0.6112.8S307 C311S307-R309 PolarHBondContact O-N 2.83Å; S307-R309 PolarHBondContact OG-N 2.81Å; R309-C311 PolarHBondContact O-N 3.14Å
310A83.5Confident80.7Confident54 Ų5463.6 Ų63.645%0.44631%0.31SS..G310 helixtrans-78.4-7.517800000113.3S307 W308S307-A310 WeakPolarHBondContact O-CB 3.27Å; S307-A310 PolarHBondContact O-N 2.83Å; S307-A310 VanDerWaalsContact O-N 3.14Å; W308-A310 PolarHBondContact O-N 2.8Å
311C88.7Confident79Confident1 Ų168 Ų681%0.00733%0.333CS..  trans-74.2145.6175.3-560000111.2S154 C155 W308 R309 D316 R317S154-C311 WeakPolarHBondContact O-CA 3.42Å; C155-C311 HydrophobicContact CB-CB 4.14Å; C155-C311 WeakPolarHBondContact CB-SG 3.35Å; C155-C311 WeakPolarHBondContact SG-CB 3.42Å; C155-C311 CovalentContact SG-SG 2.02Å; C155-C311 PolarHBondContact SG-SG 3.21Å; W308-C311 VanDerWaalsContact O-CB 3.23Å; W308-C311 WeakPolarHBondContact O-CB 3.27Å; W308-C311 PolarHBondContact O-N 3.05Å; W308-C311 VanDerWaalsContact O-N 3.11Å; W308-C311 PolarHBondContact O-SG 3.22Å; R309-C311 PolarHBondContact O-N 3.14Å; C311-D316 HydrophobicContact CB-CB 3.98Å; C311-R317 PolarHBondContact O-NE 3.04Å; C311-R317 VanDerWaalsContact O-NE 3.09Å; C311-R317 PolarHBondContact O-NH2 2.98Å; C311-R317 VanDerWaalsContact O-NH2 3.11Å
312K82.7Confident77.5Confident112 Ų11274.2 Ų74.249%0.48736%0.357SS..  trans-90.3-31.3-172.4-66.3-68.9-168.5169.20113.9S154 E182 P183S154-K312 PolarHBondContact O-N 2.83Å; S154-K312 VanDerWaalsContact O-N 3.12Å; S154-K312 PolarHBondContact OG-N 3.44Å; S154-K312 VanDerWaalsContact OG-N 3.14Å; E182-K312 HydrophobicContact CG-CG 4.35Å; P183-K312 HydrophobicContact CG-CB 4.33Å
313T77.9Confident76Confident21 Ų2180.2 Ų80.213%0.12938%0.375CS..SBendtrans-94.4148.3-175.765.60000113S154 P183 Y190 Q315 D316 R317S154-T313 PolarHBondContact OG-N 3.3Å; S154-T313 PolarHBondContact OG-OG1 2.93Å; P183-T313 HydrophobicContact CG-CG2 4.29Å; Y190-T313 HydrophobicContact CE1-CG2 4.2Å; T313-Q315 VanDerWaalsContact C-N 3.32Å; T313-Q315 PolarHBondContact O-N 2.8Å; T313-D316 PolarHBondContact O-N 2.8Å; T313-D316 PolarHBondContact OG1-OD2 3.41Å; T313-D316 VanDerWaalsContact OG1-OD2 3.07Å; T313-R317 WeakPolarHBondContact O-CG 3.5Å; T313-R317 PolarHBondContact O-N 3.15Å
314E66.6Low74.4Confident85 Ų8585.8 Ų85.840%0.39740%0.395SS..Hα-helixtrans-69.9-29.1179.3-17256-156.200112.2D316 R317 R318E314-D316 VanDerWaalsContact C-N 3.31Å; E314-D316 PolarHBondContact O-N 3.15Å; E314-R317 CarbonylContact O-C 3.53Å; E314-R317 PolarHBondContact O-N 2.87Å; E314-R317 VanDerWaalsContact O-N 3.16Å; E314-R317 WeakPolarHBondContact OE2-CD 3.37Å; E314-R318 HydrophobicContact CG-CG 4.03Å; E314-R318 WeakPolarHBondContact O-CB 2.97Å; E314-R318 WeakPolarHBondContact O-CG 3.44Å; E314-R318 PolarHBondContact O-N 3.49Å; E314-R318 WeakPolarHBondContact OE1-CG 3.43Å; E314-R318 IonicContact OE1-NE 2.87Å
315Q70.5Confident73Confident140 Ų14085.2 Ų85.265%0.65441%0.406SS*.Hα-helixtrans-61.3-40.9173.6-67.4-176100111.9T313 R317 F319T313-Q315 VanDerWaalsContact C-N 3.32Å; T313-Q315 PolarHBondContact O-N 2.8Å; Q315-R317 VanDerWaalsContact C-N 3.33Å; Q315-F319 PolarHBondContact O-N 3.06Å
316D65.9Low71.8Confident10 Ų1091 Ų915%0.05343%0.428CS..Hα-helixtrans-68.7-34175.5-73.2-28.1000111.5S154 R301 C311 T313 E314 H320S154-D316 WeakPolarHBondContact CB-OD2 2.98Å; S154-D316 PolarHBondContact N-OD2 3.24Å; S154-D316 PolarHBondContact OG-OD2 2.74Å; R301-D316 IonicContact NE-OD1 2.75Å; R301-D316 IonicContact NH2-OD1 3.83Å; C311-D316 HydrophobicContact CB-CB 3.98Å; T313-D316 PolarHBondContact O-N 2.8Å; T313-D316 PolarHBondContact OG1-OD2 3.41Å; T313-D316 VanDerWaalsContact OG1-OD2 3.07Å; E314-D316 VanDerWaalsContact C-N 3.31Å; E314-D316 PolarHBondContact O-N 3.15Å; D316-H320 PolarHBondContact O-CD2 2.91Å; D316-H320 VanDerWaalsContact O-CD2 3.26Å
317R66.6Low70.7Confident90 Ų9093 Ų9334%0.3442%0.42SS..Hα-helixtrans-72.9-47.1176.7-67.7175177.3-170.1-1112.9W308 C311 T313 E314 Q315 F319 H320 L321W308-R317 HydrophobicContact CE3-CB 4.18Å; W308-R317 HydrophobicContact CE3-CG 4.06Å; W308-R317 HydrophobicContact CZ3-CB 3.82Å; W308-R317 HydrophobicContact CZ3-CG 3.89Å; C311-R317 PolarHBondContact O-NE 3.04Å; C311-R317 VanDerWaalsContact O-NE 3.09Å; C311-R317 PolarHBondContact O-NH2 2.98Å; C311-R317 VanDerWaalsContact O-NH2 3.11Å; T313-R317 WeakPolarHBondContact O-CG 3.5Å; T313-R317 PolarHBondContact O-N 3.15Å; E314-R317 CarbonylContact O-C 3.53Å; E314-R317 PolarHBondContact O-N 2.87Å; E314-R317 VanDerWaalsContact O-N 3.16Å; E314-R317 WeakPolarHBondContact OE2-CD 3.37Å; Q315-R317 VanDerWaalsContact C-N 3.33Å; R317-F319 PolarHBondContact O-N 3.14Å; R317-H320 PolarHBondContact O-N 3.32Å; R317-H320 VanDerWaalsContact O-N 3.13Å; R317-L321 PolarHBondContact O-N 2.89Å; R317-L321 VanDerWaalsContact O-N 3.17Å
318R64.4Low69.8Low158 Ų15895.9 Ų95.960%0.59642%0.424SS*.Hα-helixtrans-62.6-37.4-177.8-77.3-174.5-163.4170.58.4113.2E314 H320 L321 R322E314-R318 HydrophobicContact CG-CG 4.03Å; E314-R318 WeakPolarHBondContact O-CB 2.97Å; E314-R318 WeakPolarHBondContact O-CG 3.44Å; E314-R318 PolarHBondContact O-N 3.49Å; E314-R318 WeakPolarHBondContact OE1-CG 3.43Å; E314-R318 IonicContact OE1-NE 2.87Å; R318-H320 PolarHBondContact O-N 3.35Å; R318-L321 PolarHBondContact O-N 3.48Å; R318-R322 PolarHBondContact O-N 2.86Å
319F62.8Low69.1Low68 Ų6898.8 Ų98.830%0.29844%0.44SS..Hα-helixtrans-58.4-37.5176.4-177.1-101.3000111.7Q315 R317 R323Q315-F319 PolarHBondContact O-N 3.06Å; R317-F319 PolarHBondContact O-N 3.14Å; F319-R323 PolarHBondContact O-N 2.99Å
320H59.7Low68.2Low42 Ų4293.7 Ų93.719%0.19443%0.43CS..Hα-helixtrans-76.2-34.9178-76.3-61.2000113.3R304 W308 D316 R317 R318 R323 R324R304-H320 PolarHBondContact NE-NE2 3.39Å; W308-H320 HydrophobicContact CB-CB 4.3Å; W308-H320 WeakPolarHBondContact CB-CD2 3.39Å; W308-H320 HydrophobicContact CD2-CB 3.97Å; W308-H320 HydrophobicContact CE3-CB 4.24Å; W308-H320 HydrophobicContact CG-CB 4Å; W308-H320 AromaticContact CG-CG 3.97Å; D316-H320 PolarHBondContact O-CD2 2.91Å; D316-H320 VanDerWaalsContact O-CD2 3.26Å; R317-H320 PolarHBondContact O-N 3.32Å; R317-H320 VanDerWaalsContact O-N 3.13Å; R318-H320 PolarHBondContact O-N 3.35Å; H320-R323 PolarHBondContact O-N 3.32Å; H320-R324 WeakPolarHBondContact O-CB 3.27Å; H320-R324 PolarHBondContact O-N 3.47Å
321L60.9Low67.4Low92 Ų9297.4 Ų97.448%0.48244%0.436SS..Hα-helixtrans-61.7-44.7172.5-72.1166000111.5W308 R317 R318 R323 R324 G325W308-L321 HydrophobicContact CH2-CD2 4.38Å; W308-L321 HydrophobicContact CH2-CG 4.46Å; R317-L321 PolarHBondContact O-N 2.89Å; R317-L321 VanDerWaalsContact O-N 3.17Å; R318-L321 PolarHBondContact O-N 3.48Å; L321-R323 PolarHBondContact O-N 2.96Å; L321-R324 PolarHBondContact O-N 3.41Å; L321-G325 PolarHBondContact O-N 3.22Å
322R62.8Low66.3Low200 Ų200106.1 Ų106.176%0.75547%0.469SS*.Hα-helixtrans-61.6-42.5176.4-73.4-175.8173.4-174.4-2112.6R318 G325 K326R318-R322 PolarHBondContact O-N 2.86Å; R322-G325 PolarHBondContact O-N 3.21Å; R322-K326 PolarHBondContact O-N 3.41Å; R322-K326 VanDerWaalsContact O-N 3.15Å
323R63.4Low65.4Low158 Ų158107.2 Ų107.260%0.59647%0.474SS*.Hα-helixtrans-65.7-42.1176.3-100.3-171.9155.6157.5-4.3112.6F319 H320 L321 G325 K326 E327F319-R323 PolarHBondContact O-N 2.99Å; H320-R323 PolarHBondContact O-N 3.32Å; L321-R323 PolarHBondContact O-N 2.96Å; R323-G325 VanDerWaalsContact C-N 3.28Å; R323-G325 PolarHBondContact O-N 3.29Å; R323-K326 PolarHBondContact O-N 3.13Å; R323-E327 WeakPolarHBondContact O-CB 3.32Å; R323-E327 PolarHBondContact O-N 3.32Å
324R62.9Low64.9Low126 Ų126110.3 Ų110.348%0.47549%0.489SS..Hα-helixtrans-64.2-35.2177.2-163176.9-175.6-164.3-0.4111.7H320 L321 K328H320-R324 WeakPolarHBondContact O-CB 3.27Å; H320-R324 PolarHBondContact O-N 3.47Å; L321-R324 PolarHBondContact O-N 3.41Å; R324-K328 VanDerWaalsContact O-CB 3.27Å; R324-K328 WeakPolarHBondContact O-CB 3.4Å; R324-K328 VanDerWaalsContact O-CG 3.27Å; R324-K328 WeakPolarHBondContact O-CG 3.1Å; R324-K328 PolarHBondContact O-N 3.22Å
325G66.2Low65Low40 Ų40109.5 Ų109.541%0.41249%0.493SS..Hα-helixtrans-59.4-51.2170.800000112.1L321 R322 R323 E327 K328 Q329L321-G325 PolarHBondContact O-N 3.22Å; R322-G325 PolarHBondContact O-N 3.21Å; R323-G325 VanDerWaalsContact C-N 3.28Å; R323-G325 PolarHBondContact O-N 3.29Å; G325-E327 PolarHBondContact O-N 3.26Å; G325-K328 PolarHBondContact O-N 2.02Å; G325-Q329 WeakPolarHBondContact O-CB 3.06Å; G325-Q329 PolarHBondContact O-N 2.85Å
326K69Low64.7Low157 Ų157112.2 Ų112.268%0.68350%0.498SS*.Hα-helixtrans-62.6-41.1177.4-69.5-171.5176.1-168.90113R322 R323 Q329 S330R322-K326 PolarHBondContact O-N 3.41Å; R322-K326 VanDerWaalsContact O-N 3.15Å; R323-K326 PolarHBondContact O-N 3.13Å; K326-Q329 PolarHBondContact O-N 3.22Å; K326-S330 WeakPolarHBondContact O-CB 3.31Å; K326-S330 PolarHBondContact O-N 2.92Å
327E66.2Low64.5Low109 Ų109117.2 Ų117.251%0.50952%0.521SS..Hα-helixtrans-70.2-39.4178.8-161.5-173154.800111.9R323 G325 Q329 S330 K331R323-E327 WeakPolarHBondContact O-CB 3.32Å; R323-E327 PolarHBondContact O-N 3.32Å; G325-E327 PolarHBondContact O-N 3.26Å; E327-Q329 VanDerWaalsContact C-N 3.33Å; E327-S330 PolarHBondContact O-N 3.46Å; E327-K331 WeakPolarHBondContact O-CB 2.96Å; E327-K331 WeakPolarHBondContact O-CG 3.22Å; E327-K331 PolarHBondContact O-N 2.85Å; E327-K331 IonicContact OE1-NZ 3.89Å; E327-K331 PolarHBondContact OE1-NZ 3.5Å
328K64.7Low64.6Low122 Ų122120 Ų12053%0.5354%0.535SS..Hα-helixtrans-63.2-39171.3-79-176.2175.9-168.80111.7R324 G325 K331 R332R324-K328 VanDerWaalsContact O-CB 3.27Å; R324-K328 WeakPolarHBondContact O-CB 3.4Å; R324-K328 VanDerWaalsContact O-CG 3.27Å; R324-K328 WeakPolarHBondContact O-CG 3.1Å; R324-K328 PolarHBondContact O-N 3.22Å; G325-K328 PolarHBondContact O-N 2.02Å; K328-K331 PolarHBondContact O-N 2.64Å; K328-R332 WeakPolarHBondContact O-CB 3.42Å; K328-R332 WeakPolarHBondContact O-CG 3.35Å; K328-R332 PolarHBondContact O-N 2.78Å
329Q62.9Low64.9Low124 Ų124115.5 Ų115.558%0.57953%0.528SS*.Hα-helixtrans-67.8-40.2177.3-162.9174.315.800111.4G325 K326 E327 R332 K333G325-Q329 WeakPolarHBondContact O-CB 3.06Å; G325-Q329 PolarHBondContact O-N 2.85Å; K326-Q329 PolarHBondContact O-N 3.22Å; E327-Q329 VanDerWaalsContact C-N 3.33Å; Q329-R332 PolarHBondContact O-N 3.22Å; Q329-K333 WeakPolarHBondContact O-CG 3.4Å; Q329-K333 PolarHBondContact O-N 3.23Å
330S63.1Low65.6Low59 Ų59121 Ų12141%0.41355%0.547SS..Hα-helixtrans-64-46.6172.3176.50000111.9K326 E327 R332 K333 N334K326-S330 WeakPolarHBondContact O-CB 3.31Å; K326-S330 PolarHBondContact O-N 2.92Å; E327-S330 PolarHBondContact O-N 3.46Å; S330-R332 VanDerWaalsContact C-N 3.34Å; S330-R332 PolarHBondContact O-N 3.29Å; S330-K333 PolarHBondContact O-N 2.95Å; S330-N334 PolarHBondContact O-N 3.4Å; S330-N334 PolarHBondContact O-OD1 2.72Å
331K68.1Low66.1Low132 Ų132124.1 Ų124.157%0.57456%0.564SS**Hα-helixtrans-61.6-39174.4-74.7-176.6-178.1178.70112.5E327 K328 S335E327-K331 WeakPolarHBondContact O-CB 2.96Å; E327-K331 WeakPolarHBondContact O-CG 3.22Å; E327-K331 PolarHBondContact O-N 2.85Å; E327-K331 IonicContact OE1-NZ 3.89Å; E327-K331 PolarHBondContact OE1-NZ 3.5Å; K328-K331 PolarHBondContact O-N 2.64Å; K331-S335 VanDerWaalsContact O-CB 3.29Å; K331-S335 WeakPolarHBondContact O-CB 3.24Å; K331-S335 PolarHBondContact O-N 3.14Å
332R65.6Low66.5Low184 Ų184123.3 Ų123.369%0.69456%0.563SS**Hα-helixtrans-62.1-49.3171.9-85-176.9168.9-178.6-4.3110.7K328 Q329 S330 N334 S335 W336K328-R332 WeakPolarHBondContact O-CB 3.42Å; K328-R332 WeakPolarHBondContact O-CG 3.35Å; K328-R332 PolarHBondContact O-N 2.78Å; Q329-R332 PolarHBondContact O-N 3.22Å; S330-R332 VanDerWaalsContact C-N 3.34Å; S330-R332 PolarHBondContact O-N 3.29Å; R332-N334 VanDerWaalsContact C-N 3.34Å; R332-N334 PolarHBondContact O-N 3.23Å; R332-S335 WeakPolarHBondContact O-CB 3.42Å; R332-S335 PolarHBondContact O-N 2.75Å; R332-S335 VanDerWaalsContact O-N 3.13Å; R332-W336 PolarHBondContact O-N 3.43Å
333K64Low66.9Low135 Ų135121.7 Ų121.759%0.58756%0.557SS**Hα-helixtrans-56.5-46.5176.3-78.3-173.2175.7-169.60112Q329 S330 S335 W336 Q337Q329-K333 WeakPolarHBondContact O-CG 3.4Å; Q329-K333 PolarHBondContact O-N 3.23Å; S330-K333 PolarHBondContact O-N 2.95Å; K333-S335 VanDerWaalsContact C-N 3.33Å; K333-S335 PolarHBondContact O-N 2.81Å; K333-W336 PolarHBondContact O-N 3.13Å; K333-Q337 WeakPolarHBondContact O-CG 3.23Å; K333-Q337 PolarHBondContact O-N 3.42Å
334N67.5Low67.4Low85 Ų85118 Ų11846%0.45555%0.548SS..Hα-helixtrans-65.1-36.7177-71.47.8000112.1S330 R332 Q337 K338S330-N334 PolarHBondContact O-N 3.4Å; S330-N334 PolarHBondContact O-OD1 2.72Å; R332-N334 VanDerWaalsContact C-N 3.34Å; R332-N334 PolarHBondContact O-N 3.23Å; N334-Q337 PolarHBondContact O-N 2.79Å; N334-Q337 PolarHBondContact OD1-OE1 2.56Å; N334-K338 WeakPolarHBondContact O-CB 3.4Å; N334-K338 WeakPolarHBondContact O-CG 3.16Å; N334-K338 PolarHBondContact O-N 3.1Å
335S68.1Low67.6Low68 Ų68117.4 Ų117.448%0.47655%0.554SS.*Hα-helixtrans-65.4-45.1174.1-168.80000111.3K331 R332 K333 Q337 K338 S339K331-S335 VanDerWaalsContact O-CB 3.29Å; K331-S335 WeakPolarHBondContact O-CB 3.24Å; K331-S335 PolarHBondContact O-N 3.14Å; R332-S335 WeakPolarHBondContact O-CB 3.42Å; R332-S335 PolarHBondContact O-N 2.75Å; R332-S335 VanDerWaalsContact O-N 3.13Å; K333-S335 VanDerWaalsContact C-N 3.33Å; K333-S335 PolarHBondContact O-N 2.81Å; S335-Q337 VanDerWaalsContact C-N 3.34Å; S335-Q337 PolarHBondContact O-N 3.36Å; S335-K338 PolarHBondContact O-N 3.02Å; S335-S339 WeakPolarHBondContact O-CB 3.41Å; S335-S339 PolarHBondContact O-N 3.23Å; S335-S339 PolarHBondContact O-OG 3.17Å; S335-S339 VanDerWaalsContact O-OG 3.13Å
336W64Low67.8Low198 Ų198120 Ų12075%0.7556%0.558SS**Hα-helixtrans-61.7-40.2174.5-83.4101.4000111.7R332 K333 S339 R340R332-W336 PolarHBondContact O-N 3.43Å; K333-W336 PolarHBondContact O-N 3.13Å; W336-S339 PolarHBondContact O-N 3.47Å; W336-R340 VanDerWaalsContact O-CB 3.25Å; W336-R340 WeakPolarHBondContact O-CB 3.4Å; W336-R340 PolarHBondContact O-N 3.4Å
337Q62.3Low67.6Low114 Ų114116.1 Ų116.153%0.53355%0.545SS..Hα-helixtrans-65.4-42.3174.5-74.5174.6-62.600112K333 N334 S335 R340 L341K333-Q337 WeakPolarHBondContact O-CG 3.23Å; K333-Q337 PolarHBondContact O-N 3.42Å; N334-Q337 PolarHBondContact O-N 2.79Å; N334-Q337 PolarHBondContact OD1-OE1 2.56Å; S335-Q337 VanDerWaalsContact C-N 3.34Å; S335-Q337 PolarHBondContact O-N 3.36Å; Q337-R340 PolarHBondContact O-N 3Å; Q337-L341 WeakPolarHBondContact O-CB 3.41Å; Q337-L341 WeakPolarHBondContact O-CG 3.39Å; Q337-L341 PolarHBondContact O-N 3.21Å
338K67.9Low67.4Low150 Ų150115.9 Ų115.965%0.65255%0.547SS*.Hα-helixtrans-62.4-49.9173.8-79.1-172.1177.2-166.80111.3N334 S335 R340 L341 T342N334-K338 WeakPolarHBondContact O-CB 3.4Å; N334-K338 WeakPolarHBondContact O-CG 3.16Å; N334-K338 PolarHBondContact O-N 3.1Å; S335-K338 PolarHBondContact O-N 3.02Å; K338-R340 VanDerWaalsContact C-N 3.28Å; K338-R340 PolarHBondContact O-N 2.76Å; K338-L341 WeakPolarHBondContact O-CB 3.43Å; K338-L341 PolarHBondContact O-N 3.07Å; K338-L341 VanDerWaalsContact O-N 3.14Å; K338-T342 PolarHBondContact O-N 2.65Å; K338-T342 PolarHBondContact O-OG1 3.43Å
339S70.6Confident66.9Low62 Ų62115.7 Ų115.743%0.43455%0.551SS.*Hα-helixtrans-60.4-37.3177.4-63.50000112.4S335 W336 T342 W343S335-S339 WeakPolarHBondContact O-CB 3.41Å; S335-S339 PolarHBondContact O-N 3.23Å; S335-S339 PolarHBondContact O-OG 3.17Å; S335-S339 VanDerWaalsContact O-OG 3.13Å; W336-S339 PolarHBondContact O-N 3.47Å; S339-T342 PolarHBondContact O-N 3.33Å; S339-W343 WeakPolarHBondContact O-CB 3.41Å; S339-W343 PolarHBondContact O-N 3Å
340R78.2Confident66.4Low184 Ų184114.5 Ų114.569%0.69455%0.552SS**Hα-helixtrans-65.5-43.1174.1-175.9177171.1-174.5-3.8111.8W336 Q337 K338 T342 W343 I344W336-R340 VanDerWaalsContact O-CB 3.25Å; W336-R340 WeakPolarHBondContact O-CB 3.4Å; W336-R340 PolarHBondContact O-N 3.4Å; Q337-R340 PolarHBondContact O-N 3Å; K338-R340 VanDerWaalsContact C-N 3.28Å; K338-R340 PolarHBondContact O-N 2.76Å; R340-T342 VanDerWaalsContact C-N 3.35Å; R340-W343 PolarHBondContact O-N 3.16Å; R340-I344 HydrophobicContact CG-CD1 4.22Å; R340-I344 VanDerWaalsContact O-CG1 3.31Å; R340-I344 WeakPolarHBondContact O-CG1 2.96Å; R340-I344 PolarHBondContact O-N 3.48Å
341L69Low65.7Low107 Ų107118.9 Ų118.956%0.5657%0.571SS**Hα-helixtrans-63.6-40.4174.2-75.3164.2000111.6Q337 K338 W343 I344 L345Q337-L341 WeakPolarHBondContact O-CB 3.41Å; Q337-L341 WeakPolarHBondContact O-CG 3.39Å; Q337-L341 PolarHBondContact O-N 3.21Å; K338-L341 WeakPolarHBondContact O-CB 3.43Å; K338-L341 PolarHBondContact O-N 3.07Å; K338-L341 VanDerWaalsContact O-N 3.14Å; L341-W343 VanDerWaalsContact C-N 3.35Å; L341-I344 PolarHBondContact O-N 2.91Å; L341-L345 VanDerWaalsContact O-CG 3.3Å; L341-L345 WeakPolarHBondContact O-CG 3.41Å; L341-L345 PolarHBondContact O-N 3.11Å
342T71.2Confident64.7Low76 Ų76115.8 Ų115.847%0.46657%0.566SS.*Hα-helixtrans-64.1-39.8175.4-41.40000111.7K338 S339 R340 L345 L346K338-T342 PolarHBondContact O-N 2.65Å; K338-T342 PolarHBondContact O-OG1 3.43Å; S339-T342 PolarHBondContact O-N 3.33Å; R340-T342 VanDerWaalsContact C-N 3.35Å; T342-L345 PolarHBondContact O-N 3.23Å; T342-L346 HydrophobicContact CG2-CD1 4.21Å; T342-L346 WeakPolarHBondContact O-CB 3.47Å; T342-L346 VanDerWaalsContact O-CG 3.28Å; T342-L346 WeakPolarHBondContact O-CG 3.23Å; T342-L346 PolarHBondContact O-N 3.11Å
343W71Confident63.5Low166 Ų166115.7 Ų115.763%0.62957%0.574SS**Hα-helixtrans-64.6-40.8174.8-105.9101.1000113S339 R340 L341 L346 N347S339-W343 WeakPolarHBondContact O-CB 3.41Å; S339-W343 PolarHBondContact O-N 3Å; R340-W343 PolarHBondContact O-N 3.16Å; L341-W343 VanDerWaalsContact C-N 3.35Å; W343-L346 PolarHBondContact O-N 3.12Å; W343-N347 WeakPolarHBondContact CZ3-OD1 3.45Å; W343-N347 PolarHBondContact O-N 3.11Å
344I72.6Confident62Low80 Ų80116 Ų11641%0.4159%0.587SS.*Hα-helixtrans-62.2-47.9175.4-67.5163.8000109.9R340 L341 L346 N347 D348R340-I344 HydrophobicContact CG-CD1 4.22Å; R340-I344 VanDerWaalsContact O-CG1 3.31Å; R340-I344 WeakPolarHBondContact O-CG1 2.96Å; R340-I344 PolarHBondContact O-N 3.48Å; L341-I344 PolarHBondContact O-N 2.91Å; I344-L346 VanDerWaalsContact C-N 3.3Å; I344-L346 PolarHBondContact O-N 3.14Å; I344-N347 PolarHBondContact O-N 3.03Å; I344-D348 PolarHBondContact O-N 3.35Å
345L68.3Low60.7Low113 Ų113118.1 Ų118.159%0.59260%0.603SS**Hα-helixtrans-63.4-33.9178.5-68.7171000113.1L341 T342 L349L341-L345 VanDerWaalsContact O-CG 3.3Å; L341-L345 WeakPolarHBondContact O-CG 3.41Å; L341-L345 PolarHBondContact O-N 3.11Å; T342-L345 PolarHBondContact O-N 3.23Å; L345-L349 WeakPolarHBondContact O-CD1 3.33Å; L345-L349 VanDerWaalsContact O-CG 3.24Å; L345-L349 WeakPolarHBondContact O-CG 3.41Å; L345-L349 PolarHBondContact O-N 3.09Å
346L69.8Low59.2Low95 Ų95118.6 Ų118.650%0.49761%0.611SS.*Hα-helixtrans-71.6-36.1176.2-75.9166000112T342 W343 I344 L349 T350T342-L346 HydrophobicContact CG2-CD1 4.21Å; T342-L346 WeakPolarHBondContact O-CB 3.47Å; T342-L346 VanDerWaalsContact O-CG 3.28Å; T342-L346 WeakPolarHBondContact O-CG 3.23Å; T342-L346 PolarHBondContact O-N 3.11Å; W343-L346 PolarHBondContact O-N 3.12Å; I344-L346 VanDerWaalsContact C-N 3.3Å; I344-L346 PolarHBondContact O-N 3.14Å; L346-L349 PolarHBondContact O-N 3.44Å; L346-T350 PolarHBondContact O-N 2.73Å
347N65.4Low57.9Low76 Ų76119.4 Ų119.441%0.40662%0.62SS.*Hα-helixtrans-75.6-35.9177.7-71.5-7.2000112.4W343 I344 L349 T350 D351W343-N347 WeakPolarHBondContact CZ3-OD1 3.45Å; W343-N347 PolarHBondContact O-N 3.11Å; I344-N347 PolarHBondContact O-N 3.03Å; N347-L349 PolarHBondContact O-N 3.24Å; N347-T350 WeakPolarHBondContact CA-OG1 3.43Å; N347-T350 PolarHBondContact O-N 3.36Å; N347-T350 VanDerWaalsContact O-N 3.08Å; N347-T350 PolarHBondContact O-OG1 3.33Å; N347-D351 PolarHBondContact O-N 2.73Å
348D61.4Low56.8Low104 Ų104123.7 Ų123.756%0.55664%0.639SS**Hα-helixtrans-63.8-27.7172.9-72.8-21.8000111.5I344I344-D348 PolarHBondContact O-N 3.35Å
349L53.2Low55.2Low118 Ų118119.6 Ų119.662%0.61864%0.64SS**Hα-helixtrans-79.6-19.4173.9-73.3168.7000113.4L345 L346 N347L345-L349 WeakPolarHBondContact O-CD1 3.33Å; L345-L349 VanDerWaalsContact O-CG 3.24Å; L345-L349 WeakPolarHBondContact O-CG 3.41Å; L345-L349 PolarHBondContact O-N 3.09Å; L346-L349 PolarHBondContact O-N 3.44Å; N347-L349 PolarHBondContact O-N 3.24Å
350T53.3Low53.6Low98 Ų98123.4 Ų123.460%0.60166%0.66SS**Hα-helixtrans-85.4-15.4177.250.70000113.8L346 N347L346-T350 PolarHBondContact O-N 2.73Å; N347-T350 WeakPolarHBondContact CA-OG1 3.43Å; N347-T350 PolarHBondContact O-N 3.36Å; N347-T350 VanDerWaalsContact O-N 3.08Å; N347-T350 PolarHBondContact O-OG1 3.33Å
351D49.2Very low51.7Low151 Ų151119 Ų11981%0.80766%0.663SS**SBendtrans-88.5-5173-79.8-19000113.1N347N347-D351 PolarHBondContact O-N 2.73Å
352S46.3Very low50.3Low67 Ų67122.5 Ų122.547%0.46968%0.677SS.*SBendtrans-112.5103.7169.172.30000110.8
353E39.6Very low48.5Very low183 Ų183126.2 Ų126.286%0.85569%0.694SS**  trans64.689.3159-59.3-174.9151.200116.5V355E353-V355 PolarHBondContact O-N 2.87Å; E353-V355 VanDerWaalsContact O-N 3.14Å
354T34.2Very low46.8Very low142 Ų142128.2 Ų128.287%0.87171%0.71SS**  trans-61.299.315727.10000111
355V39.6Very low45.1Very low129 Ų129133.4 Ų133.478%0.78273%0.729SS**  trans-136.1108.6160.1-178.40000110E353E353-V355 PolarHBondContact O-N 2.87Å; E353-V355 VanDerWaalsContact O-N 3.14Å
356A36.8Very low43.4Very low78 Ų78135.7 Ų135.765%0.64574%0.743SS**  trans28.9117.3149.500000119
357F37.1Very low41.6Very low214 Ų214139.4 Ų139.494%0.93976%0.759SS**  -161.493.8129.1-96.1-71.3000109.5
358H38Very low40.1Very low204 Ų204147.5 Ų147.594%0.94479%0.786SS**  trans-80.5119.3154.9-102.9-107.9000107.4
359G35.5Very low39Very low64 Ų64148 Ų14866%0.6679%0.793SS**  trans150.6135.1169.200000113.2
360V35.2Very low38.1Very low142 Ų142151.1 Ų151.186%0.86180%0.801SS**  trans85.375.9172.2-159.50000115.2
361A38.9Very low37.1Very low91 Ų91150.3 Ų150.375%0.75281%0.813SS**  trans-73145.6145.600000109.9
362Q39.6Very low36.5Very low182 Ų182151.2 Ų151.285%0.8581%0.812SS**SBendtrans89.8123166.8-61.1-179.7-34.500118.7
363N33.3Very low36Very low154 Ų154156.6 Ų156.682%0.82484%0.835SS**  trans80.976.8164.2-76.7-16000119.5
364Q34.8Very low36Very low207 Ų207154.3 Ų154.397%0.96783%0.833SS**  trans-10195.4141.1-81.9-173.2-1300110.2
365K37Very low36Very low189 Ų189152.2 Ų152.282%0.82283%0.831SS**  trans-120.4129.2152.9-102.1178.7177.6174.90105.9
366N33.7Very low35.9Very low162 Ų162149.5 Ų149.587%0.86683%0.829SS**  trans92.690.9177.9-59.2-15.2000117.3
367M32.5Very low36Very low173 Ų173156.2 Ų156.285%0.85284%0.843SS**  trans-147.697.7139.9-94.4-169.7132.300108.9
368Y33.2Very low36.1Very low245 Ų245153.9 Ų153.996%0.96184%0.84SS**  trans-146.678.1148.9-99.5-79.8000106.1
369T38.2Very low36Very low116 Ų116149.5 Ų149.571%0.71283%0.829SS**  trans-118.9124.9172-0.70000108.3
370K33.4Very low36Very low182 Ų182152.1 Ų152.179%0.79184%0.838SS**  trans57.696.3153.2-67.7179.9175.9-179.30118.1
371G33.6Very low36.1Very low82 Ų82152.6 Ų152.685%0.84584%0.835SS**  trans-103.991.9142.500000109.2L373G371-L373 PolarHBondContact O-N 3.35Å
372Q35.8Very low36.2Very low170 Ų170157.3 Ų157.379%0.79484%0.838SS**  trans-69.9114.9160.8-83.7169.4-85.300107.3
373L36.2Very low36Very low179 Ų179159.9 Ų159.994%0.93784%0.84SS**PPolyproline II helixtrans-90.3123.9163.2-94.6160.7000108.6G371G371-L373 PolarHBondContact O-N 3.35Å
374V39.5Very low36.6Very low135 Ų135161 Ų16182%0.81884%0.84SS**PPolyproline II helixtrans-62.4144.2-175.3173.70000111.1G376V374-G376 PolarHBondContact O-N 3.04Å
375A35Very low37Very low99 Ų99160.2 Ų160.282%0.81884%0.837SS**PPolyproline II helixtrans-60.3123.6172.900000111.5
376G37.4Very low37.8Very low72 Ų72157 Ų15774%0.74284%0.835SS**  trans-118102.5162.300000109.1V374 L378V374-G376 PolarHBondContact O-N 3.04Å; G376-L378 PolarHBondContact O-N 3.07Å
377K38.2Very low38.5Very low218 Ų218156.9 Ų156.995%0.94883%0.834SS**  trans-61.3126.1163.5-90.3173.6171.4176.10108.2
378L38.4Very low39.7Very low166 Ų166159 Ų15987%0.86986%0.858SS**  trans-117.1134.5158-95.1158.8000108G376G376-L378 PolarHBondContact O-N 3.07Å
379P36.6Very low40Very low111 Ų111154.8 Ų154.872%0.72185%0.852SS**  trans-79.6156.9-172.917.4-5.5000112.5
380S35.4Very low40.1Very low120 Ų120156.8 Ų156.884%0.83986%0.86SS**  trans-52.1127.3171.1-44.80000112.5
381L37.3Very low40.5Very low152 Ų152155.4 Ų155.480%0.79686%0.864SS**  trans-106.1106159.5-102.2132.9000108.2
382K40.3Very low40.9Very low190 Ų190159.7 Ų159.783%0.82687%0.865SS**  trans-67.6129.5160.3-81.8178.6172.5-179.40107.8
383W36Very low41.2Very low236 Ų236159.1 Ų159.189%0.89487%0.869SS**  trans-93.7113.8158.6-80.890.9000108
384Q45.7Very low41.5Very low176 Ų176157.7 Ų157.782%0.82287%0.865SS**PPolyproline II helixtrans-70.4134.2163.2-79.1167-75.600108.8
385Q43.4Very low41.7Very low192 Ų192159.4 Ų159.490%0.89787%0.868SS**PPolyproline II helixtrans-74.1140.4155-78.5176.3-77.500108.6
386P54.5Low42.2Very low120 Ų120164 Ų16478%0.77987%0.872SS**PPolyproline II helixtrans-89.7143.7154.919.3-3.8000110.6
387D47.6Very low42.6Very low161 Ų161171.7 Ų171.786%0.86188%0.882SS**PPolyproline II helixtrans-55138.9175.2-64.5-59.3000113.4
388T57.7Low43Very low218 Ų218167.5 Ų167.5100%1.33788%0.877SS**  trans-162.70139.33.10000110.3

Retrieved 388 of 388 residues in 210.8 ms (Link to these results)

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