A0A060XAY4_ONCMY Loading...

Pleckstrin homology domain-containing family J member 1

AlphaFold DB , UniProt , Accession A0A060XAY4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 155 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
1M52Low81.6Confident184 Ų184115.1 Ų115.191%0.90654%0.539SS*.  0149.20-100.3174.4174.800110.2F3M1-F3 HydrophobicContact CB-CD1 4.44Å; M1-F3 HydrophobicContact CB-CD2 4.2Å; M1-F3 HydrophobicContact CB-CE1 3.8Å; M1-F3 HydrophobicContact CB-CE2 3.52Å; M1-F3 HydrophobicContact CB-CZ 3.3Å; M1-F3 HydrophobicContact CG-CE1 4.33Å; M1-F3 HydrophobicContact CG-CZ 4.1Å; M1-F3 HydrophobicContact SD-CE1 3.59Å; M1-F3 VanDerWaalsContact SD-CE1 3.59Å; M1-F3 HydrophobicContact SD-CZ 3.64Å
2R57.8Low82.8Confident257 Ų257105.6 Ų105.697%0.9749%0.494SS*.  trans-92.5120.1164.4-77.7-176.5177.4175.6-0.5107.5
3F67.1Low83.7Confident103 Ų103109.2 Ų109.245%0.45250%0.5SS..  trans-105.1147.9178.7-59.4-78.2000110.4M1 F44 L60M1-F3 HydrophobicContact CB-CD1 4.44Å; M1-F3 HydrophobicContact CB-CD2 4.2Å; M1-F3 HydrophobicContact CB-CE1 3.8Å; M1-F3 HydrophobicContact CB-CE2 3.52Å; M1-F3 HydrophobicContact CB-CZ 3.3Å; M1-F3 HydrophobicContact CG-CE1 4.33Å; M1-F3 HydrophobicContact CG-CZ 4.1Å; M1-F3 HydrophobicContact SD-CE1 3.59Å; M1-F3 VanDerWaalsContact SD-CE1 3.59Å; M1-F3 HydrophobicContact SD-CZ 3.64Å; F3-F44 HydrophobicContact CE1-CZ 4.34Å; F3-L60 HydrophobicContact CZ-CD2 3.94Å
4N84Confident84.6Confident74 Ų74108 Ų10840%0.39650%0.496SS..  trans-80.5114.4169179.3-4.3000108.6K6 E7 L8N4-K6 PolarHBondContact O-N 3.44Å; N4-K6 WeakPolarHBondContact OD1-CB 3.38Å; N4-K6 PolarHBondContact OD1-N 2.72Å; N4-K6 VanDerWaalsContact OD1-N 3.14Å; N4-E7 HydrophobicContact CB-CB 4.12Å; N4-E7 HydrophobicContact CB-CG 4.06Å; N4-E7 PolarHBondContact ND2-OE1 3.28Å; N4-E7 PolarHBondContact O-N 2.98Å; N4-L8 PolarHBondContact O-N 3.18Å
5E84.9Confident85.4Confident157 Ų157108.9 Ų108.973%0.73452%0.516SS*.Hα-helixtrans-54.5-36.5-178.8-69176.9172.500112.3E7 L8 I9E5-E7 PolarHBondContact O-N 3.11Å; E5-L8 PolarHBondContact O-N 3.3Å; E5-I9 VanDerWaalsContact O-CG1 3.28Å; E5-I9 WeakPolarHBondContact O-CG1 3.42Å; E5-I9 PolarHBondContact O-N 2.77Å
6K88.9Confident86.1Confident173 Ų173104.7 Ų104.775%0.75250%0.501SS*.Hα-helixtrans-65.9-39.7178.7-66.1-177.4177.1179.70112.6N4 S10N4-K6 PolarHBondContact O-N 3.44Å; N4-K6 WeakPolarHBondContact OD1-CB 3.38Å; N4-K6 PolarHBondContact OD1-N 2.72Å; N4-K6 VanDerWaalsContact OD1-N 3.14Å; K6-S10 WeakPolarHBondContact O-CB 3.49Å; K6-S10 PolarHBondContact O-N 2.87Å
7E90.4Very high86.7Confident129 Ų129105.4 Ų105.460%0.60350%0.504SS*.Hα-helixtrans-68.1-39.7176.5-74.6165.4-153.900110.7N4 E5 S10 L11N4-E7 HydrophobicContact CB-CB 4.12Å; N4-E7 HydrophobicContact CB-CG 4.06Å; N4-E7 PolarHBondContact ND2-OE1 3.28Å; N4-E7 PolarHBondContact O-N 2.98Å; E5-E7 PolarHBondContact O-N 3.11Å; E7-S10 WeakPolarHBondContact O-CB 3.46Å; E7-S10 PolarHBondContact O-N 3.34Å; E7-L11 WeakPolarHBondContact O-CB 3.21Å; E7-L11 PolarHBondContact O-N 2.87Å
8L90Very high87.3Confident42 Ų42102.9 Ų102.922%0.2249%0.489CS..Hα-helixtrans-65.8-42179.1-16469.9000111.7N4 E5 L11 S12 F44 F46 A58N4-L8 PolarHBondContact O-N 3.18Å; E5-L8 PolarHBondContact O-N 3.3Å; L8-L11 PolarHBondContact O-N 3.11Å; L8-S12 WeakPolarHBondContact O-CB 3.22Å; L8-S12 PolarHBondContact O-N 3.29Å; L8-F44 HydrophobicContact CD1-CD1 4.02Å; L8-F44 HydrophobicContact CD1-CE1 3.76Å; L8-F44 HydrophobicContact CD1-CZ 4.32Å; L8-F46 HydrophobicContact CD1-CE1 3.91Å; L8-F46 HydrophobicContact CD1-CZ 3.99Å; L8-F46 HydrophobicContact CG-CE1 3.88Å; L8-F46 HydrophobicContact CG-CZ 4.37Å; L8-A58 HydrophobicContact CD1-CB 4.37Å; L8-A58 HydrophobicContact CD2-CB 4.21Å
9I93.1Very high87.9Confident41 Ų41100.3 Ų100.321%0.2149%0.486CS..Hα-helixtrans-61.8-46.2172-68.2165.3000110.1E5 L11 S12 R13E5-I9 VanDerWaalsContact O-CG1 3.28Å; E5-I9 WeakPolarHBondContact O-CG1 3.42Å; E5-I9 PolarHBondContact O-N 2.77Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.27Å; I9-S12 PolarHBondContact O-N 2.96Å; I9-S12 PolarHBondContact O-OG 2.97Å; I9-R13 PolarHBondContact O-N 3.44Å
10S94.3Very high88.4Confident73 Ų7396.3 Ų96.351%0.5147%0.47SS..Hα-helixtrans-60.4-40.9177.7-1720000112.3K6 E7 R13K6-S10 WeakPolarHBondContact O-CB 3.49Å; K6-S10 PolarHBondContact O-N 2.87Å; E7-S10 WeakPolarHBondContact O-CB 3.46Å; E7-S10 PolarHBondContact O-N 3.34Å; S10-R13 PolarHBondContact O-N 2.9Å
11L94.9Very high88.9Confident33 Ų3396 Ų9617%0.17347%0.468CS..Hα-helixtrans-64.6-42.4177.2-178.460.5000111.1E7 L8 I9 R13 Q14 V41 F44 F46E7-L11 WeakPolarHBondContact O-CB 3.21Å; E7-L11 PolarHBondContact O-N 2.87Å; L8-L11 PolarHBondContact O-N 3.11Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.27Å; L11-R13 PolarHBondContact O-N 3.33Å; L11-Q14 HydrophobicContact CD1-CG 4.45Å; L11-Q14 WeakPolarHBondContact O-CB 3.35Å; L11-Q14 PolarHBondContact O-N 3.25Å; L11-V41 HydrophobicContact CD1-CG1 3.98Å; L11-V41 HydrophobicContact CG-CG1 4.3Å; L11-F44 HydrophobicContact CD2-CD2 3.51Å; L11-F44 HydrophobicContact CD2-CE2 3.73Å; L11-F44 HydrophobicContact CD2-CG 4.14Å; L11-F46 HydrophobicContact CB-CZ 4.24Å; L11-F46 HydrophobicContact CD2-CE2 4.4Å; L11-F46 HydrophobicContact CD2-CZ 4.12Å; L11-F46 HydrophobicContact CG-CE2 4.15Å; L11-F46 HydrophobicContact CG-CZ 4.05Å
12S95.8Very high91.1Very high1 Ų187.2 Ų87.21%0.00742%0.424CS..Hα-helixtrans-59.3-20.9-18082.40000114.2L8 I9 K39L8-S12 WeakPolarHBondContact O-CB 3.22Å; L8-S12 PolarHBondContact O-N 3.29Å; I9-S12 PolarHBondContact O-N 2.96Å; I9-S12 PolarHBondContact O-OG 2.97Å; S12-K39 PolarHBondContact O-NZ 3.4Å
13R95Very high93Very high152 Ų15275.3 Ų75.357%0.57438%0.381SS*.THydrogen-bonded Turntrans-89-10.1178.6-65.6176.3-178.6-175.50.1113.7I9 S10 L11I9-R13 PolarHBondContact O-N 3.44Å; S10-R13 PolarHBondContact O-N 2.9Å; L11-R13 PolarHBondContact O-N 3.33Å
14Q96.4Very high94.4Very high93 Ų9370.9 Ų70.944%0.43536%0.362SS..SBendtrans-67.5162.9176-65.4-171.33.600111.6L11 S16 V41L11-Q14 HydrophobicContact CD1-CG 4.45Å; L11-Q14 WeakPolarHBondContact O-CB 3.35Å; L11-Q14 PolarHBondContact O-N 3.25Å; Q14-S16 PolarHBondContact O-N 3.03Å; Q14-V41 HydrophobicContact CB-CG1 4.04Å
15P96.4Very high95Very high122 Ų12271 Ų7179%0.79236%0.357SS*.PPolyproline II helixtrans-54.1131171.6-25.435.5000111
16S96.6Very high95.4Very high41 Ų4164 Ų6429%0.28733%0.327SS..PPolyproline II helixtrans-92.4141.7177.951.50000111.1Q14 R18 L40Q14-S16 PolarHBondContact O-N 3.03Å; S16-R18 PolarHBondContact O-N 3.48Å; S16-L40 CarbonylContact C-O 3.56Å; S16-L40 WeakPolarHBondContact CA-O 3.32Å; S16-L40 WeakPolarHBondContact CB-O 3.31Å
17E96.6Very high95.5Very high117 Ų11757.7 Ų57.755%0.54730%0.304SS..SBendtrans-62.4-34.6167.8-64.496.2-179.400111.1L40 V41 V42E17-L40 HydrophobicContact CB-CD2 4.4Å; E17-L40 PolarHBondContact N-O 3.39Å; E17-L40 VanDerWaalsContact OE2-C 3.28Å; E17-L40 WeakPolarHBondContact OE2-CG 3.34Å; E17-L40 VanDerWaalsContact OE2-O 3.05Å; E17-V41 WeakPolarHBondContact OE2-CA 2.84Å; E17-V41 PolarHBondContact OE2-N 3.08Å; E17-V42 WeakPolarHBondContact OE1-CA 3.47Å; E17-V42 PolarHBondContact OE1-N 2.9Å; E17-V42 VanDerWaalsContact OE1-N 3.08Å; E17-V42 PolarHBondContact OE2-N 2.66Å
18R97.8Very high95.4Very high61 Ų6159.4 Ų59.423%0.2331%0.309CS..EExtended strand (participates in β ladder)trans-149.5138.9179-171.3169.8-76.6-86.3-5.6111S16 K39 L40 E98 W99 S102S16-R18 PolarHBondContact O-N 3.48Å; R18-K39 CarbonylContact O-C 3.58Å; R18-K39 WeakPolarHBondContact O-CA 3.45Å; R18-L40 HydrophobicContact CB-CB 4.34Å; R18-L40 PolarHBondContact O-N 2.91Å; R18-E98 VanDerWaalsContact CZ-CB 3.5Å; R18-E98 IonicContact CZ-OE2 3.1Å; R18-E98 IonicContact NH1-OE2 3.78Å; R18-E98 PolarHBondContact NH1-OE2 2.88Å; R18-E98 IonicContact NH2-OE1 2.82Å; R18-E98 IonicContact NH2-OE2 2.61Å; R18-E98 PolarHBondContact NH2-OE2 3.39Å; R18-W99 HydrophobicContact CB-CH2 4.06Å; R18-W99 HydrophobicContact CB-CZ3 4.07Å; R18-W99 VanDerWaalsContact CD-CD2 3.46Å; R18-W99 HydrophobicContact CG-CD2 4.09Å; R18-W99 HydrophobicContact CG-CE3 4.12Å; R18-W99 HydrophobicContact CG-CH2 3.7Å; R18-W99 HydrophobicContact CG-CZ2 3.66Å; R18-W99 HydrophobicContact CG-CZ3 3.93Å; R18-S102 PolarHBondContact NE-OG 3.39Å
19A97.9Very high95Very high53 Ų5368 Ų6844%0.43834%0.344SS..EExtended strand (participates in β ladder)trans-143.6134.2173.600000110.6V38 K39A19-V38 VanDerWaalsContact CA-O 3.25Å; A19-V38 WeakPolarHBondContact CA-O 3.37Å; A19-K39 HydrophobicContact CB-CG 3.92Å
20A98Very high94.4Very high20 Ų2069.6 Ų69.617%0.16537%0.372CS..EExtended strand (participates in β ladder)trans-159.3158.2174.900000110.2L22 V38 W99A20-L22 HydrophobicContact CB-CD2 4.49Å; A20-V38 PolarHBondContact N-O 3.2Å; A20-V38 PolarHBondContact O-N 2.99Å; A20-W99 HydrophobicContact CB-CZ2 3.79Å
21E98.1Very high94.1Very high90 Ų9068.3 Ų68.342%0.42136%0.359SS..EExtended strand (participates in β ladder)trans-77.4129.2163.4-64.2-173-179.700110.3R35 R36E21-R35 HydrophobicContact CB-CG 4.25Å; E21-R35 IonicContact OE2-CZ 3.69Å; E21-R35 IonicContact OE2-NE 3.94Å; E21-R35 PolarHBondContact OE2-NE 3.45Å; E21-R35 IonicContact OE2-NH2 3.9Å; E21-R36 CarbonylContact C-O 3.59Å; E21-R36 VanDerWaalsContact CA-O 3.28Å; E21-R36 WeakPolarHBondContact CA-O 3.34Å
22L98.4Very high94.1Very high0 Ų071 Ų710%038%0.376CS..EExtended strand (participates in β ladder)trans-127.1153.4177.2-60.6179.3000109.7A20 R35 R36 V38 F74 F88 E89 C90 W99A20-L22 HydrophobicContact CB-CD2 4.49Å; L22-R35 WeakPolarHBondContact O-CA 3.07Å; L22-R36 PolarHBondContact N-O 2.63Å; L22-R36 PolarHBondContact O-N 3.34Å; L22-V38 HydrophobicContact CB-CG2 4.1Å; L22-V38 HydrophobicContact CD1-CB 4.07Å; L22-V38 HydrophobicContact CD1-CG1 4.38Å; L22-V38 HydrophobicContact CD1-CG2 4.06Å; L22-V38 HydrophobicContact CG-CB 4.44Å; L22-V38 HydrophobicContact CG-CG2 4.29Å; L22-F74 HydrophobicContact CD1-CZ 4.47Å; L22-F88 HydrophobicContact CD1-CB 4.41Å; L22-F88 HydrophobicContact CD1-CD1 4.13Å; L22-E89 WeakPolarHBondContact CA-O 3.28Å; L22-C90 HydrophobicContact CD2-CB 4.38Å; L22-W99 HydrophobicContact CD1-CD2 4.17Å; L22-W99 HydrophobicContact CD1-CG 4.38Å; L22-W99 HydrophobicContact CD1-CZ2 4.11Å
23G98.4Very high94.1Very high6 Ų673.5 Ų73.56%0.06239%0.392CS..EExtended strand (participates in β ladder)trans-67.9132.3157.800000108.4F88 E89G23-F88 CarbonylContact O-C 3.56Å; G23-F88 VanDerWaalsContact O-CA 3.24Å; G23-F88 WeakPolarHBondContact O-CA 3.27Å; G23-E89 PolarHBondContact N-O 2.74Å; G23-E89 PolarHBondContact O-N 2.61Å
24M97.6Very high94.2Very high10 Ų1070.1 Ų70.15%0.04938%0.381CS..EExtended strand (participates in β ladder)trans-134.4133.4179.6-175.1-175174.300110.4V33 K34 R36 Y47 Y86 L87 F88M24-V33 WeakPolarHBondContact O-CA 3.28Å; M24-K34 PolarHBondContact N-O 3.3Å; M24-K34 PolarHBondContact O-N 3.47Å; M24-R36 HydrophobicContact CB-CB 4.13Å; M24-R36 HydrophobicContact CB-CG 3.82Å; M24-R36 HydrophobicContact SD-CB 4.39Å; M24-R36 HydrophobicContact SD-CG 4.05Å; M24-Y47 HydrophobicContact CE-CD1 3.67Å; M24-Y47 HydrophobicContact CE-CD2 3.88Å; M24-Y47 HydrophobicContact CE-CE1 3.83Å; M24-Y47 HydrophobicContact CE-CE2 4.03Å; M24-Y47 HydrophobicContact CE-CG 3.69Å; M24-Y47 HydrophobicContact SD-CD1 4.15Å; M24-Y47 HydrophobicContact SD-CD2 3.75Å; M24-Y47 HydrophobicContact SD-CE2 4.42Å; M24-Y47 HydrophobicContact SD-CG 3.58Å; M24-Y47 VanDerWaalsContact SD-CG 3.58Å; M24-Y86 HydrophobicContact CE-CD1 3.73Å; M24-Y86 HydrophobicContact CE-CE1 4.25Å; M24-L87 WeakPolarHBondContact CA-O 3.28Å; M24-F88 HydrophobicContact CB-CD1 4.34Å; M24-F88 HydrophobicContact CB-CE1 4.43Å; M24-F88 HydrophobicContact CE-CE1 4.12Å; M24-F88 HydrophobicContact CE-CZ 4.09Å; M24-F88 HydrophobicContact CG-CD1 4.06Å; M24-F88 HydrophobicContact CG-CE1 3.74Å; M24-F88 HydrophobicContact CG-CZ 4.37Å; M24-F88 HydrophobicContact SD-CE1 3.86Å; M24-F88 HydrophobicContact SD-CZ 4.44Å
25R96.4Very high94.3Very high78 Ų7870.5 Ų70.529%0.29438%0.378SS..EExtended strand (participates in β ladder)trans-125125.3171.1-179.717863.885-1.7109.2D31 V33 L87R25-D31 WeakPolarHBondContact CD-O 3.34Å; R25-D31 HydrophobicContact CG-CB 4.26Å; R25-D31 WeakPolarHBondContact CG-O 3.34Å; R25-V33 HydrophobicContact CB-CG2 3.99Å; R25-L87 HydrophobicContact CB-CB 4.27Å; R25-L87 PolarHBondContact N-O 3.41Å; R25-L87 PolarHBondContact O-N 2.82Å
26G93.1Very high94.3Very high9 Ų966.1 Ų66.19%0.09335%0.346CS..  trans-78.4177.4178.300000113K28 D31G26-K28 PolarHBondContact O-N 2.91Å; G26-D31 WeakPolarHBondContact CA-OD2 3.05Å; G26-D31 PolarHBondContact N-OD2 3.09Å
27P90.2Very high94.4Very high41 Ų4167 Ų6727%0.26635%0.347SS..SBendtrans-76.3-5.3-176.931-38.3000114.3K29 R84 K85 Y86P27-K29 PolarHBondContact O-N 3.25Å; P27-R84 HydrophobicContact CB-CB 3.56Å; P27-R84 HydrophobicContact CB-CG 3.85Å; P27-R84 HydrophobicContact CG-CB 3.93Å; P27-R84 HydrophobicContact CG-CG 4.08Å; P27-K85 WeakPolarHBondContact CA-O 3.47Å; P27-Y86 HydrophobicContact CG-CE1 4.12Å; P27-Y86 HydrophobicContact CG-CE2 4.15Å
28K88.9Confident94.5Very high165 Ų16561.4 Ų61.472%0.71732%0.321SS*.SBendtrans-69.1132-177.6-68-178.5-178.2177.80110G26 G30 D31G26-K28 PolarHBondContact O-N 2.91Å; K28-G30 PolarHBondContact O-N 3.37Å; K28-D31 HydrophobicContact CB-CB 4.2Å; K28-D31 VanDerWaalsContact O-CB 3.25Å; K28-D31 WeakPolarHBondContact O-CB 3.41Å; K28-D31 PolarHBondContact O-N 2.93Å
29K80.9Confident94.5Very high221 Ų22160.2 Ų60.296%0.96132%0.318SS*.THydrogen-bonded Turntrans-59125.5176.7-170.4175.7-178.5177.10109.9P27 D31P27-K29 PolarHBondContact O-N 3.25Å; K29-D31 VanDerWaalsContact C-N 3.33Å
30G81.3Confident94.6Very high76 Ų7657.8 Ų57.878%0.78430%0.298SS*.THydrogen-bonded Turntrans81.35.7-176.900000114.9K28K28-G30 PolarHBondContact O-N 3.37Å
31D88.3Confident94.6Very high46 Ų4656.9 Ų56.925%0.24629%0.29CS..  trans-66.6143.5170-159.123.2000110.1R25 G26 K28 K29 K34R25-D31 WeakPolarHBondContact CD-O 3.34Å; R25-D31 HydrophobicContact CG-CB 4.26Å; R25-D31 WeakPolarHBondContact CG-O 3.34Å; G26-D31 WeakPolarHBondContact CA-OD2 3.05Å; G26-D31 PolarHBondContact N-OD2 3.09Å; K28-D31 HydrophobicContact CB-CB 4.2Å; K28-D31 VanDerWaalsContact O-CB 3.25Å; K28-D31 WeakPolarHBondContact O-CB 3.41Å; K28-D31 PolarHBondContact O-N 2.93Å; K29-D31 VanDerWaalsContact C-N 3.33Å; D31-K34 IonicContact OD1-NZ 2.67Å; D31-K34 PolarHBondContact OD1-NZ 3Å
32V93.5Very high94.4Very high88 Ų8855.8 Ų55.853%0.53329%0.289SS..  trans-106.7156.1-179.4-63.60000109.3K34V32-K34 HydrophobicContact CG2-CG 4.26Å; V32-K34 PolarHBondContact O-N 2.84Å
33V96.3Very high94.3Very high55 Ų5557.3 Ų57.333%0.33330%0.297SS..  trans-62.8132.2173.1-178.70000109.1M24 R25M24-V33 WeakPolarHBondContact O-CA 3.28Å; R25-V33 HydrophobicContact CB-CG2 3.99Å
34K97Very high94.2Very high80 Ų8058.1 Ų58.135%0.34830%0.299SS..EExtended strand (participates in β ladder)trans-132.2142.3176-60.9167.6-174.2146.50109.2M24 D31 V32 R36M24-K34 PolarHBondContact N-O 3.3Å; M24-K34 PolarHBondContact O-N 3.47Å; D31-K34 IonicContact OD1-NZ 2.67Å; D31-K34 PolarHBondContact OD1-NZ 3Å; V32-K34 HydrophobicContact CG2-CG 4.26Å; V32-K34 PolarHBondContact O-N 2.84Å; K34-R36 PolarHBondContact O-N 2.96Å
35R97.8Very high94.2Very high101 Ų10157.7 Ų57.738%0.38130%0.297SS..EExtended strand (participates in β ladder)trans-63.4131.9172.2-160.469.6157.9-179-1.9109.3E21 L22 T50 D91E21-R35 HydrophobicContact CB-CG 4.25Å; E21-R35 IonicContact OE2-CZ 3.69Å; E21-R35 IonicContact OE2-NE 3.94Å; E21-R35 PolarHBondContact OE2-NE 3.45Å; E21-R35 IonicContact OE2-NH2 3.9Å; L22-R35 WeakPolarHBondContact O-CA 3.07Å; R35-T50 HydrophobicContact CG-CG2 4.2Å; R35-D91 IonicContact CZ-OD1 2.97Å; R35-D91 IonicContact CZ-OD2 3.09Å; R35-D91 IonicContact NH1-OD1 3.22Å; R35-D91 PolarHBondContact NH1-OD1 3.49Å; R35-D91 IonicContact NH1-OD2 2.74Å; R35-D91 IonicContact NH2-OD1 3.1Å; R35-D91 IonicContact NH2-OD2 2.75Å; R35-D91 PolarHBondContact NH2-OD2 3.36Å
36R98.1Very high94.3Very high30 Ų3054 Ų5411%0.11328%0.283CS..EExtended strand (participates in β ladder)trans-139.4138.7179-68.7-67.1-178.6-92.15.1108.8E21 L22 M24 K34 V38 F48 Q56E21-R36 CarbonylContact C-O 3.59Å; E21-R36 VanDerWaalsContact CA-O 3.28Å; E21-R36 WeakPolarHBondContact CA-O 3.34Å; L22-R36 PolarHBondContact N-O 2.63Å; L22-R36 PolarHBondContact O-N 3.34Å; M24-R36 HydrophobicContact CB-CB 4.13Å; M24-R36 HydrophobicContact CB-CG 3.82Å; M24-R36 HydrophobicContact SD-CB 4.39Å; M24-R36 HydrophobicContact SD-CG 4.05Å; K34-R36 PolarHBondContact O-N 2.96Å; R36-V38 HydrophobicContact CB-CG2 4.23Å; R36-V38 PolarHBondContact O-N 3.41Å; R36-F48 WeakPolarHBondContact CA-O 3.48Å; R36-F48 WeakPolarHBondContact CD-O 3.39Å; R36-Q56 VanDerWaalsContact NE-OE1 3.14Å; R36-Q56 VanDerWaalsContact NH2-OE1 3.15Å
37L98.2Very high94.5Very high59 Ų5955.4 Ų55.431%0.30929%0.286SS..EExtended strand (participates in β ladder)trans-72.9121.9161.517264.9000107K39 Y47 F48L37-K39 HydrophobicContact CD2-CD 4.45Å; L37-K39 HydrophobicContact CG-CG 4.27Å; L37-Y47 CarbonylContact O-C 3.48Å; L37-Y47 WeakPolarHBondContact O-CA 3.44Å; L37-F48 HydrophobicContact CB-CB 4.25Å; L37-F48 HydrophobicContact CD2-CD2 4.46Å; L37-F48 HydrophobicContact CG-CD2 4.38Å; L37-F48 PolarHBondContact N-O 3.31Å; L37-F48 VanDerWaalsContact N-O 3.14Å; L37-F48 WeakPolarHBondContact O-CD2 3.15Å; L37-F48 PolarHBondContact O-N 3.43Å
38V98.4Very high94.8Very high1 Ų153.9 Ų53.91%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-112.4131.5178.4-178.20000108.2A19 A20 L22 R36 L45 F46 F88 W99A19-V38 VanDerWaalsContact CA-O 3.25Å; A19-V38 WeakPolarHBondContact CA-O 3.37Å; A20-V38 PolarHBondContact N-O 3.2Å; A20-V38 PolarHBondContact O-N 2.99Å; L22-V38 HydrophobicContact CB-CG2 4.1Å; L22-V38 HydrophobicContact CD1-CB 4.07Å; L22-V38 HydrophobicContact CD1-CG1 4.38Å; L22-V38 HydrophobicContact CD1-CG2 4.06Å; L22-V38 HydrophobicContact CG-CB 4.44Å; L22-V38 HydrophobicContact CG-CG2 4.29Å; R36-V38 HydrophobicContact CB-CG2 4.23Å; R36-V38 PolarHBondContact O-N 3.41Å; V38-L45 HydrophobicContact CG1-CD1 3.53Å; V38-L45 HydrophobicContact CG1-CD2 4.2Å; V38-L45 HydrophobicContact CG1-CG 3.74Å; V38-F46 CarbonylContact C-O 3.38Å; V38-F46 WeakPolarHBondContact CA-O 3.4Å; V38-F88 HydrophobicContact CG1-CE1 4.49Å; V38-F88 HydrophobicContact CG2-CD1 4.42Å; V38-F88 HydrophobicContact CG2-CE1 4.26Å; V38-W99 HydrophobicContact CB-CH2 4.24Å; V38-W99 HydrophobicContact CB-CZ2 4.49Å; V38-W99 HydrophobicContact CG1-CH2 3.93Å; V38-W99 HydrophobicContact CG1-CZ3 4.18Å
39K98.4Very high95.2Very high36 Ų3650.9 Ų50.916%0.15726%0.259CS..EExtended strand (participates in β ladder)trans-128.4125.8179.7-61.2-178.965.1-168.80110.2S12 R18 A19 L37 V41 L45 F46 F48S12-K39 PolarHBondContact O-NZ 3.4Å; R18-K39 CarbonylContact O-C 3.58Å; R18-K39 WeakPolarHBondContact O-CA 3.45Å; A19-K39 HydrophobicContact CB-CG 3.92Å; L37-K39 HydrophobicContact CD2-CD 4.45Å; L37-K39 HydrophobicContact CG-CG 4.27Å; K39-V41 HydrophobicContact CB-CG2 4.44Å; K39-L45 CarbonylContact O-C 3.6Å; K39-F46 HydrophobicContact CB-CB 4.4Å; K39-F46 PolarHBondContact N-O 3.43Å; K39-F46 PolarHBondContact O-N 3.13Å; K39-F48 HydrophobicContact CB-CE2 4.21Å; K39-F48 HydrophobicContact CD-CD2 4.37Å; K39-F48 HydrophobicContact CD-CE2 3.61Å; K39-F48 HydrophobicContact CD-CZ 4.03Å; K39-F48 HydrophobicContact CG-CD2 4.46Å; K39-F48 HydrophobicContact CG-CE2 3.91Å
40L98.5Very high95.8Very high2 Ų244.2 Ų44.21%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-90.1119.8166.8-17662.5000108.6S16 E17 R18 F44 L45 L61 W99 A106S16-L40 CarbonylContact C-O 3.56Å; S16-L40 WeakPolarHBondContact CA-O 3.32Å; S16-L40 WeakPolarHBondContact CB-O 3.31Å; E17-L40 HydrophobicContact CB-CD2 4.4Å; E17-L40 PolarHBondContact N-O 3.39Å; E17-L40 VanDerWaalsContact OE2-C 3.28Å; E17-L40 WeakPolarHBondContact OE2-CG 3.34Å; E17-L40 VanDerWaalsContact OE2-O 3.05Å; R18-L40 HydrophobicContact CB-CB 4.34Å; R18-L40 PolarHBondContact O-N 2.91Å; L40-F44 WeakPolarHBondContact CA-O 3.46Å; L40-L45 HydrophobicContact CB-CD1 4.15Å; L40-L45 HydrophobicContact CD1-CD1 4.21Å; L40-L61 HydrophobicContact CD1-CD1 3.52Å; L40-W99 HydrophobicContact CB-CZ3 4.08Å; L40-A106 HydrophobicContact CD1-CB 3.84Å; L40-A106 HydrophobicContact CD2-CB 3.98Å; L40-A106 HydrophobicContact CG-CB 4.29Å
41V97.9Very high96.3Very high0 Ų046.3 Ų46.30%023%0.23CC..EExtended strand (participates in β ladder)trans-132.3112.9176.7179.90000107.6L11 Q14 E17 K39 N43 F44 F46L11-V41 HydrophobicContact CD1-CG1 3.98Å; L11-V41 HydrophobicContact CG-CG1 4.3Å; Q14-V41 HydrophobicContact CB-CG1 4.04Å; E17-V41 WeakPolarHBondContact OE2-CA 2.84Å; E17-V41 PolarHBondContact OE2-N 3.08Å; K39-V41 HydrophobicContact CB-CG2 4.44Å; V41-N43 PolarHBondContact O-N 3.35Å; V41-N43 VanDerWaalsContact O-N 3.12Å; V41-F44 PolarHBondContact N-O 2.91Å; V41-F44 PolarHBondContact O-N 2.87Å; V41-F46 HydrophobicContact CB-CD2 4.13Å; V41-F46 HydrophobicContact CB-CE2 3.99Å; V41-F46 HydrophobicContact CG2-CD2 4.1Å; V41-F46 HydrophobicContact CG2-CE2 4.34Å
42V94.7Very high96.6Very high68 Ų6848 Ų4841%0.41224%0.237SC..THydrogen-bonded Turntrans58.9-112.7-175-169.50000109E17 A106E17-V42 WeakPolarHBondContact OE1-CA 3.47Å; E17-V42 PolarHBondContact OE1-N 2.9Å; E17-V42 VanDerWaalsContact OE1-N 3.08Å; E17-V42 PolarHBondContact OE2-N 2.66Å; V42-A106 WeakPolarHBondContact O-CB 3.13Å
43N95.5Very high96.5Very high31 Ų3151.6 Ų51.617%0.16625%0.248CC..THydrogen-bonded Turntrans-114.121.7176.766.7-33.1000112.4V41 L60 L61 A106 M111V41-N43 PolarHBondContact O-N 3.35Å; V41-N43 VanDerWaalsContact O-N 3.12Å; N43-L60 VanDerWaalsContact ND2-CD1 3.26Å; N43-L60 WeakPolarHBondContact ND2-CD1 3.32Å; N43-L61 WeakPolarHBondContact O-CB 3.3Å; N43-L61 WeakPolarHBondContact O-CG 3.27Å; N43-L61 PolarHBondContact O-N 3.39Å; N43-A106 VanDerWaalsContact CB-O 3.25Å; N43-A106 WeakPolarHBondContact CB-O 3.39Å; N43-M111 HydrophobicContact CB-CE 3.81Å
44F97.1Very high96.4Very high24 Ų2454.1 Ų54.111%0.10526%0.256CS..EExtended strand (participates in β ladder)trans-111.8130.2174.9-73.8-92.4000111.1F3 L8 L11 L40 V41 F46 A58 L59 L60F3-F44 HydrophobicContact CE1-CZ 4.34Å; L8-F44 HydrophobicContact CD1-CD1 4.02Å; L8-F44 HydrophobicContact CD1-CE1 3.76Å; L8-F44 HydrophobicContact CD1-CZ 4.32Å; L11-F44 HydrophobicContact CD2-CD2 3.51Å; L11-F44 HydrophobicContact CD2-CE2 3.73Å; L11-F44 HydrophobicContact CD2-CG 4.14Å; L40-F44 WeakPolarHBondContact CA-O 3.46Å; V41-F44 PolarHBondContact N-O 2.91Å; V41-F44 PolarHBondContact O-N 2.87Å; F44-F46 HydrophobicContact CB-CD2 3.96Å; F44-F46 HydrophobicContact CB-CE2 3.39Å; F44-F46 HydrophobicContact CB-CZ 3.77Å; F44-F46 HydrophobicContact CD1-CZ 4.41Å; F44-F46 HydrophobicContact CG-CE2 4.21Å; F44-F46 HydrophobicContact CG-CZ 4.15Å; F44-A58 HydrophobicContact CD1-CB 4.14Å; F44-L59 WeakPolarHBondContact CA-O 3.39Å; F44-L60 HydrophobicContact CD1-CB 4.4Å; F44-L60 HydrophobicContact CD1-CD1 4.31Å; F44-L60 HydrophobicContact CD2-CD1 4.31Å; F44-L60 HydrophobicContact CE1-CB 4.09Å; F44-L60 HydrophobicContact CE1-CD1 3.91Å; F44-L60 HydrophobicContact CE1-CG 4.47Å; F44-L60 HydrophobicContact CE2-CD1 3.91Å; F44-L60 HydrophobicContact CZ-CD1 3.71Å
45L97.8Very high96.3Very high1 Ų151.5 Ų51.51%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-100.597.1169.1-166.271.7000109.1V38 K39 L40 A58 L59 L61 I76 F88 W99 I103V38-L45 HydrophobicContact CG1-CD1 3.53Å; V38-L45 HydrophobicContact CG1-CD2 4.2Å; V38-L45 HydrophobicContact CG1-CG 3.74Å; K39-L45 CarbonylContact O-C 3.6Å; L40-L45 HydrophobicContact CB-CD1 4.15Å; L40-L45 HydrophobicContact CD1-CD1 4.21Å; L45-A58 CarbonylContact O-C 3.48Å; L45-A58 WeakPolarHBondContact O-CA 3.35Å; L45-L59 HydrophobicContact CB-CB 4.24Å; L45-L59 HydrophobicContact CD2-CD1 4.37Å; L45-L59 PolarHBondContact N-O 3.35Å; L45-L59 PolarHBondContact O-N 3.03Å; L45-L61 HydrophobicContact CB-CD2 4.3Å; L45-I76 HydrophobicContact CD2-CD1 3.67Å; L45-F88 HydrophobicContact CD2-CE1 4.19Å; L45-F88 HydrophobicContact CD2-CE2 4.36Å; L45-F88 HydrophobicContact CD2-CZ 3.77Å; L45-W99 HydrophobicContact CD1-CE3 4.41Å; L45-W99 HydrophobicContact CD1-CZ3 3.73Å; L45-I103 HydrophobicContact CD1-CG1 4.49Å; L45-I103 HydrophobicContact CD2-CD1 4.28Å
46F97.9Very high96.2Very high0 Ų051.1 Ų51.10%025%0.25CC..EExtended strand (participates in β ladder)trans-81.1144176.3-67-80.6000111L8 L11 V38 K39 V41 F44 F48 P55 A58L8-F46 HydrophobicContact CD1-CE1 3.91Å; L8-F46 HydrophobicContact CD1-CZ 3.99Å; L8-F46 HydrophobicContact CG-CE1 3.88Å; L8-F46 HydrophobicContact CG-CZ 4.37Å; L11-F46 HydrophobicContact CB-CZ 4.24Å; L11-F46 HydrophobicContact CD2-CE2 4.4Å; L11-F46 HydrophobicContact CD2-CZ 4.12Å; L11-F46 HydrophobicContact CG-CE2 4.15Å; L11-F46 HydrophobicContact CG-CZ 4.05Å; V38-F46 CarbonylContact C-O 3.38Å; V38-F46 WeakPolarHBondContact CA-O 3.4Å; K39-F46 HydrophobicContact CB-CB 4.4Å; K39-F46 PolarHBondContact N-O 3.43Å; K39-F46 PolarHBondContact O-N 3.13Å; V41-F46 HydrophobicContact CB-CD2 4.13Å; V41-F46 HydrophobicContact CB-CE2 3.99Å; V41-F46 HydrophobicContact CG2-CD2 4.1Å; V41-F46 HydrophobicContact CG2-CE2 4.34Å; F44-F46 HydrophobicContact CB-CD2 3.96Å; F44-F46 HydrophobicContact CB-CE2 3.39Å; F44-F46 HydrophobicContact CB-CZ 3.77Å; F44-F46 HydrophobicContact CD1-CZ 4.41Å; F44-F46 HydrophobicContact CG-CE2 4.21Å; F44-F46 HydrophobicContact CG-CZ 4.15Å; F46-F48 HydrophobicContact CB-CD2 4.41Å; F46-F48 HydrophobicContact CB-CE2 3.52Å; F46-F48 HydrophobicContact CB-CZ 4Å; F46-P55 HydrophobicContact CD1-CB 3.88Å; F46-P55 HydrophobicContact CD1-CG 4.15Å; F46-A58 HydrophobicContact CD1-CB 3.5Å; F46-A58 VanDerWaalsContact CD1-CB 3.5Å; F46-A58 HydrophobicContact CE1-CB 3.5Å; F46-A58 VanDerWaalsContact CE1-CB 3.5Å; F46-A58 HydrophobicContact CG-CB 4.31Å; F46-A58 HydrophobicContact CZ-CB 4.32Å
47Y97.5Very high96Very high39 Ų3950.4 Ų50.415%0.15325%0.252CS..EExtended strand (participates in β ladder)trans-133.2134.4171.758.7-85.4000111M24 L37 Q56 G57 L59M24-Y47 HydrophobicContact CE-CD1 3.67Å; M24-Y47 HydrophobicContact CE-CD2 3.88Å; M24-Y47 HydrophobicContact CE-CE1 3.83Å; M24-Y47 HydrophobicContact CE-CE2 4.03Å; M24-Y47 HydrophobicContact CE-CG 3.69Å; M24-Y47 HydrophobicContact SD-CD1 4.15Å; M24-Y47 HydrophobicContact SD-CD2 3.75Å; M24-Y47 HydrophobicContact SD-CE2 4.42Å; M24-Y47 HydrophobicContact SD-CG 3.58Å; M24-Y47 VanDerWaalsContact SD-CG 3.58Å; L37-Y47 CarbonylContact O-C 3.48Å; L37-Y47 WeakPolarHBondContact O-CA 3.44Å; Y47-Q56 HydrophobicContact CD2-CB 4.02Å; Y47-Q56 HydrophobicContact CD2-CG 4.28Å; Y47-Q56 HydrophobicContact CE2-CB 3.99Å; Y47-Q56 HydrophobicContact CE2-CG 3.84Å; Y47-Q56 WeakPolarHBondContact O-CB 3.25Å; Y47-Q56 PolarHBondContact O-N 3.06Å; Y47-G57 WeakPolarHBondContact CD1-O 3.32Å; Y47-G57 PolarHBondContact N-O 3.46Å; Y47-G57 PolarHBondContact O-N 2.97Å; Y47-L59 HydrophobicContact CE1-CD2 4.3Å; Y47-L59 HydrophobicContact CE1-CG 4.37Å
48F97.6Very high95.8Very high9 Ų949.1 Ų49.14%0.03925%0.25CC..EExtended strand (participates in β ladder)trans-121.3150.6-173.8-54.2-109000108.8R36 L37 K39 F46 E53 E54 P55R36-F48 WeakPolarHBondContact CA-O 3.48Å; R36-F48 WeakPolarHBondContact CD-O 3.39Å; L37-F48 HydrophobicContact CB-CB 4.25Å; L37-F48 HydrophobicContact CD2-CD2 4.46Å; L37-F48 HydrophobicContact CG-CD2 4.38Å; L37-F48 PolarHBondContact N-O 3.31Å; L37-F48 VanDerWaalsContact N-O 3.14Å; L37-F48 WeakPolarHBondContact O-CD2 3.15Å; L37-F48 PolarHBondContact O-N 3.43Å; K39-F48 HydrophobicContact CB-CE2 4.21Å; K39-F48 HydrophobicContact CD-CD2 4.37Å; K39-F48 HydrophobicContact CD-CE2 3.61Å; K39-F48 HydrophobicContact CD-CZ 4.03Å; K39-F48 HydrophobicContact CG-CD2 4.46Å; K39-F48 HydrophobicContact CG-CE2 3.91Å; F46-F48 HydrophobicContact CB-CD2 4.41Å; F46-F48 HydrophobicContact CB-CE2 3.52Å; F46-F48 HydrophobicContact CB-CZ 4Å; F48-E53 WeakPolarHBondContact CE1-O 3.48Å; F48-E54 VanDerWaalsContact CD1-C 3.45Å; F48-E54 WeakPolarHBondContact CD1-O 3.46Å; F48-P55 VanDerWaalsContact CD1-CA 3.44Å; F48-P55 HydrophobicContact CD1-CB 4.07Å; F48-P55 HydrophobicContact CE1-CB 3.7Å; F48-P55 HydrophobicContact CE1-CG 4.24Å; F48-P55 HydrophobicContact CE2-CB 4.4Å; F48-P55 HydrophobicContact CZ-CB 3.88Å
49R96.8Very high95.6Very high101 Ų10149.4 Ų49.438%0.38125%0.251SS..  trans-67.2147.3157.8-60.3176.768.1-1736.7107.6D51 E52R49-D51 VanDerWaalsContact CB-OD1 3.27Å; R49-D51 WeakPolarHBondContact CB-OD1 3.42Å; R49-D51 IonicContact NE-OD1 2.68Å; R49-D51 PolarHBondContact O-N 3.47Å; R49-D51 VanDerWaalsContact O-N 3.1Å; R49-E52 HydrophobicContact CB-CB 4.21Å; R49-E52 HydrophobicContact CB-CG 4.15Å; R49-E52 VanDerWaalsContact CD-OE1 3.29Å; R49-E52 WeakPolarHBondContact CD-OE1 3.03Å; R49-E52 WeakPolarHBondContact CD-OE2 3.4Å; R49-E52 IonicContact CZ-OE1 3.31Å; R49-E52 IonicContact NE-OE1 3.68Å; R49-E52 IonicContact NH1-OE1 3.33Å; R49-E52 PolarHBondContact NH1-OE1 2.97Å; R49-E52 PolarHBondContact O-N 3.29Å
50T92.9Very high95.4Very high82 Ų8249.1 Ų49.150%0.50325%0.251SS..THydrogen-bonded Turntrans-65-16.2-173.649.10000113.3R35R35-T50 HydrophobicContact CG-CG2 4.2Å
51D92.7Very high95.3Very high119 Ų11949 Ų4964%0.63625%0.251SS*.THydrogen-bonded Turntrans-108.23.4-178.258.2-30.8000113.9R49R49-D51 VanDerWaalsContact CB-OD1 3.27Å; R49-D51 WeakPolarHBondContact CB-OD1 3.42Å; R49-D51 IonicContact NE-OD1 2.68Å; R49-D51 PolarHBondContact O-N 3.47Å; R49-D51 VanDerWaalsContact O-N 3.1Å
52E93.9Very high95.1Very high82 Ų8253 Ų5338%0.38327%0.269SS..  trans-119.2140.5-177.1-69.4178.4-170.800111.7R49R49-E52 HydrophobicContact CB-CB 4.21Å; R49-E52 HydrophobicContact CB-CG 4.15Å; R49-E52 VanDerWaalsContact CD-OE1 3.29Å; R49-E52 WeakPolarHBondContact CD-OE1 3.03Å; R49-E52 WeakPolarHBondContact CD-OE2 3.4Å; R49-E52 IonicContact CZ-OE1 3.31Å; R49-E52 IonicContact NE-OE1 3.68Å; R49-E52 IonicContact NH1-OE1 3.33Å; R49-E52 PolarHBondContact NH1-OE1 2.97Å; R49-E52 PolarHBondContact O-N 3.29Å
53E90.7Very high95Very high163 Ų16353.8 Ų53.876%0.76227%0.269SS*.SBendtrans-85.4-21.7176.4-65.3-169.2170.100113.4F48F48-E53 WeakPolarHBondContact CE1-O 3.48Å
54E94.1Very high94.9Very high108 Ų10853.3 Ų53.351%0.50527%0.268SS..SBendtrans-91.4140.9177.5-66.5-169.4166.200110.7F48 Q56F48-E54 VanDerWaalsContact CD1-C 3.45Å; F48-E54 WeakPolarHBondContact CD1-O 3.46Å; E54-Q56 PolarHBondContact O-N 2.72Å
55P96.1Very high94.8Very high26 Ų2659.2 Ų59.217%0.16929%0.289CS..  trans-67.3133.3-179.927.8-33.4000110.2F46 F48 G57F46-P55 HydrophobicContact CD1-CB 3.88Å; F46-P55 HydrophobicContact CD1-CG 4.15Å; F48-P55 VanDerWaalsContact CD1-CA 3.44Å; F48-P55 HydrophobicContact CD1-CB 4.07Å; F48-P55 HydrophobicContact CE1-CB 3.7Å; F48-P55 HydrophobicContact CE1-CG 4.24Å; F48-P55 HydrophobicContact CE2-CB 4.4Å; F48-P55 HydrophobicContact CZ-CB 3.88Å; P55-G57 PolarHBondContact O-N 3.49Å
56Q94.4Very high94.8Very high92 Ų9260.5 Ų60.543%0.4330%0.297SS..SBendtrans-66.8-29.3170177.516594.400111R36 Y47 E54R36-Q56 VanDerWaalsContact NE-OE1 3.14Å; R36-Q56 VanDerWaalsContact NH2-OE1 3.15Å; Y47-Q56 HydrophobicContact CD2-CB 4.02Å; Y47-Q56 HydrophobicContact CD2-CG 4.28Å; Y47-Q56 HydrophobicContact CE2-CB 3.99Å; Y47-Q56 HydrophobicContact CE2-CG 3.84Å; Y47-Q56 WeakPolarHBondContact O-CB 3.25Å; Y47-Q56 PolarHBondContact O-N 3.06Å; E54-Q56 PolarHBondContact O-N 2.72Å
57G94.1Very high94.7Very high16 Ų1663.3 Ų63.317%0.16531%0.31CS..EExtended strand (participates in β ladder)trans-173.9177.8170.900000112.3Y47 P55Y47-G57 WeakPolarHBondContact CD1-O 3.32Å; Y47-G57 PolarHBondContact N-O 3.46Å; Y47-G57 PolarHBondContact O-N 2.97Å; P55-G57 PolarHBondContact O-N 3.49Å
58A94.8Very high94.8Very high31 Ų3165.9 Ų65.926%0.25632%0.319SS..EExtended strand (participates in β ladder)trans-138.7142.6177.300000109.7L8 F44 L45 F46L8-A58 HydrophobicContact CD1-CB 4.37Å; L8-A58 HydrophobicContact CD2-CB 4.21Å; F44-A58 HydrophobicContact CD1-CB 4.14Å; L45-A58 CarbonylContact O-C 3.48Å; L45-A58 WeakPolarHBondContact O-CA 3.35Å; F46-A58 HydrophobicContact CD1-CB 3.5Å; F46-A58 VanDerWaalsContact CD1-CB 3.5Å; F46-A58 HydrophobicContact CE1-CB 3.5Å; F46-A58 VanDerWaalsContact CE1-CB 3.5Å; F46-A58 HydrophobicContact CG-CB 4.31Å; F46-A58 HydrophobicContact CZ-CB 4.32Å
59L94.9Very high94.7Very high8 Ų869.1 Ų69.14%0.04234%0.335CS..EExtended strand (participates in β ladder)trans-106.6123169.7-51.4-179000108.5F44 L45 Y47 I76 F78 Y86 F88F44-L59 WeakPolarHBondContact CA-O 3.39Å; L45-L59 HydrophobicContact CB-CB 4.24Å; L45-L59 HydrophobicContact CD2-CD1 4.37Å; L45-L59 PolarHBondContact N-O 3.35Å; L45-L59 PolarHBondContact O-N 3.03Å; Y47-L59 HydrophobicContact CE1-CD2 4.3Å; Y47-L59 HydrophobicContact CE1-CG 4.37Å; L59-I76 HydrophobicContact CD1-CD1 4.48Å; L59-F78 HydrophobicContact CB-CZ 3.97Å; L59-F78 HydrophobicContact CD1-CE2 4.43Å; L59-F78 HydrophobicContact CD1-CZ 4.22Å; L59-F78 HydrophobicContact CD2-CE2 4.49Å; L59-F78 HydrophobicContact CD2-CZ 4.47Å; L59-F78 HydrophobicContact CG-CZ 4.45Å; L59-Y86 HydrophobicContact CD1-CD1 4.08Å; L59-Y86 HydrophobicContact CD1-CD2 4.16Å; L59-Y86 HydrophobicContact CD1-CE1 4.37Å; L59-Y86 HydrophobicContact CD1-CE2 4.45Å; L59-Y86 HydrophobicContact CD1-CG 3.96Å; L59-Y86 HydrophobicContact CD2-CD1 4.3Å; L59-Y86 HydrophobicContact CD2-CD2 4.42Å; L59-Y86 HydrophobicContact CD2-CE1 3.76Å; L59-Y86 HydrophobicContact CD2-CE2 3.9Å; L59-F88 HydrophobicContact CD1-CZ 4.18Å
60L94.3Very high94.7Very high29 Ų2968.4 Ų68.415%0.15234%0.338CS..EExtended strand (participates in β ladder)trans-81.2121171.7178.156.9000108.6F3 N43 F44 E62 F78F3-L60 HydrophobicContact CZ-CD2 3.94Å; N43-L60 VanDerWaalsContact ND2-CD1 3.26Å; N43-L60 WeakPolarHBondContact ND2-CD1 3.32Å; F44-L60 HydrophobicContact CD1-CB 4.4Å; F44-L60 HydrophobicContact CD1-CD1 4.31Å; F44-L60 HydrophobicContact CD2-CD1 4.31Å; F44-L60 HydrophobicContact CE1-CB 4.09Å; F44-L60 HydrophobicContact CE1-CD1 3.91Å; F44-L60 HydrophobicContact CE1-CG 4.47Å; F44-L60 HydrophobicContact CE2-CD1 3.91Å; F44-L60 HydrophobicContact CZ-CD1 3.71Å; L60-E62 HydrophobicContact CD2-CG 4.04Å; L60-E62 WeakPolarHBondContact CD2-OE1 3.49Å; L60-E62 HydrophobicContact CG-CB 4.41Å; L60-E62 HydrophobicContact CG-CG 3.91Å; L60-E62 PolarHBondContact O-N 3.24Å; L60-F78 WeakPolarHBondContact O-CE1 3.34Å
61L95.7Very high94.8Very high0 Ų067.5 Ų67.50%034%0.336CS..  trans-81.965.5-176.3-57.6179.4000111.1L40 N43 L45 I103 A106 S107 Y108L40-L61 HydrophobicContact CD1-CD1 3.52Å; N43-L61 WeakPolarHBondContact O-CB 3.3Å; N43-L61 WeakPolarHBondContact O-CG 3.27Å; N43-L61 PolarHBondContact O-N 3.39Å; L45-L61 HydrophobicContact CB-CD2 4.3Å; L61-I103 HydrophobicContact CD1-CB 4.44Å; L61-I103 HydrophobicContact CD1-CG2 3.85Å; L61-I103 HydrophobicContact CD2-CG2 3.82Å; L61-I103 HydrophobicContact CG-CG2 4.44Å; L61-A106 HydrophobicContact CD1-CB 3.82Å; L61-S107 WeakPolarHBondContact O-CA 3.07Å; L61-Y108 PolarHBondContact O-N 2.67Å
62E93.1Very high95.1Very high84 Ų8465.4 Ų65.439%0.39332%0.324SS..SBendtrans-125.4140.9170.870.3-174.4-178.200109.2L60 C64L60-E62 HydrophobicContact CD2-CG 4.04Å; L60-E62 WeakPolarHBondContact CD2-OE1 3.49Å; L60-E62 HydrophobicContact CG-CB 4.41Å; L60-E62 HydrophobicContact CG-CG 3.91Å; L60-E62 PolarHBondContact O-N 3.24Å; E62-C64 PolarHBondContact O-N 3.4Å
63Q92.6Very high95.3Very high85 Ų8561.7 Ų61.740%0.39731%0.307SS..SBendtrans49.434.2-179.3-58.7-64.4-50.900112.8F78 L79 E109Q63-F78 WeakPolarHBondContact O-CA 3.5Å; Q63-L79 HydrophobicContact CB-CB 4.26Å; Q63-L79 HydrophobicContact CB-CD1 4.36Å; Q63-L79 WeakPolarHBondContact O-CD1 3.31Å; Q63-L79 PolarHBondContact O-N 2.98Å; Q63-E109 WeakPolarHBondContact CA-OE1 3.23Å; Q63-E109 PolarHBondContact N-OE1 3.49Å; Q63-E109 PolarHBondContact N-OE2 2.74Å; Q63-E109 PolarHBondContact NE2-OE1 2.67Å
64C94.6Very high95.7Very high21 Ų2153.9 Ų53.914%0.14227%0.271CS..EExtended strand (participates in β ladder)trans-99.8146.3-179.669.80000111E62 I76 T77 F78E62-C64 PolarHBondContact O-N 3.4Å; C64-I76 HydrophobicContact CB-CG2 3.94Å; C64-T77 CarbonylContact C-O 3.46Å; C64-T77 VanDerWaalsContact CA-O 3.23Å; C64-T77 WeakPolarHBondContact CA-O 3.2Å; C64-F78 HydrophobicContact CB-CD1 3.72Å; C64-F78 HydrophobicContact CB-CE1 3.58Å; C64-F78 HydrophobicContact CB-CZ 4.35Å
65R94.9Very high95.9Very high148 Ų14848.8 Ų48.856%0.55825%0.247SC*.EExtended strand (participates in β ladder)trans-112.4121.8170.2-170.4-176.9-174.1-158.6-3.8108.6E67 I76 T77R65-E67 HydrophobicContact CG-CG 4Å; R65-E67 IonicContact CZ-OE1 3.55Å; R65-E67 IonicContact NE-OE1 2.71Å; R65-E67 PolarHBondContact NE-OE1 3.37Å; R65-E67 IonicContact NH1-OE1 2.76Å; R65-E67 PolarHBondContact NH1-OE1 3.24Å; R65-E67 VanDerWaalsContact NH1-OE1 3.1Å; R65-E67 IonicContact NH1-OE2 2.78Å; R65-E67 IonicContact NH2-OE1 2.88Å; R65-E67 PolarHBondContact NH2-OE1 2.82Å; R65-I76 WeakPolarHBondContact O-CA 3.34Å; R65-T77 PolarHBondContact N-O 2.81Å; R65-T77 PolarHBondContact O-N 2.94Å
66V96.9Very high95.9Very high27 Ų2747.5 Ų47.516%0.16424%0.239CC..EExtended strand (participates in β ladder)trans-99.6124.8174.6-169.80000108.1F74 S75 I76 I100 I103 I104V66-F74 HydrophobicContact CG1-CD2 4.11Å; V66-S75 VanDerWaalsContact CA-O 3.32Å; V66-S75 WeakPolarHBondContact CA-O 3.48Å; V66-I76 HydrophobicContact CG2-CG1 4.5Å; V66-I100 HydrophobicContact CG1-CB 4.39Å; V66-I100 HydrophobicContact CG1-CG1 4.1Å; V66-I100 HydrophobicContact CG1-CG2 4.12Å; V66-I103 HydrophobicContact CG2-CB 4.31Å; V66-I103 HydrophobicContact CG2-CG2 3.48Å; V66-I103 VanDerWaalsContact CG2-CG2 3.48Å; V66-I104 HydrophobicContact CB-CG1 4.39Å; V66-I104 HydrophobicContact CG2-CG1 4.36Å
67E96.8Very high96Very high60 Ų6044.2 Ų44.228%0.2823%0.225SC..EExtended strand (participates in β ladder)trans-126.2138-180-61.1-167.8114.700110.6R65 F74 S75R65-E67 HydrophobicContact CG-CG 4Å; R65-E67 IonicContact CZ-OE1 3.55Å; R65-E67 IonicContact NE-OE1 2.71Å; R65-E67 PolarHBondContact NE-OE1 3.37Å; R65-E67 IonicContact NH1-OE1 2.76Å; R65-E67 PolarHBondContact NH1-OE1 3.24Å; R65-E67 VanDerWaalsContact NH1-OE1 3.1Å; R65-E67 IonicContact NH1-OE2 2.78Å; R65-E67 IonicContact NH2-OE1 2.88Å; R65-E67 PolarHBondContact NH2-OE1 2.82Å; E67-F74 CarbonylContact O-C 3.49Å; E67-F74 WeakPolarHBondContact O-CA 3.28Å; E67-F74 WeakPolarHBondContact O-CB 3.41Å; E67-S75 PolarHBondContact N-O 2.63Å; E67-S75 PolarHBondContact O-N 2.95Å
68R98.1Very high95.9Very high92 Ų9244.8 Ų44.835%0.34722%0.223SC..EExtended strand (participates in β ladder)trans-76.1124.3168-179.9178-78.2-84.73.7108.3D70 S71 I100R68-D70 WeakPolarHBondContact CD-O 3.08Å; R68-D70 WeakPolarHBondContact CG-O 3.35Å; R68-D70 PolarHBondContact NH1-O 2.82Å; R68-S71 PolarHBondContact NH1-O 3.19Å; R68-S71 VanDerWaalsContact NH1-O 3.16Å; R68-I100 HydrophobicContact CB-CD1 4.03Å; R68-I100 HydrophobicContact CG-CD1 4.47Å
69E97.3Very high95.6Very high78 Ų7848.6 Ų48.636%0.36424%0.238SC..  trans-92.5-41.4178-61-68.8150.300110.8A73 S75 K85 L87E69-A73 HydrophobicContact CB-CB 4.3Å; E69-A73 PolarHBondContact N-O 3.04Å; E69-S75 VanDerWaalsContact OE1-CB 3.23Å; E69-S75 WeakPolarHBondContact OE1-CB 3.42Å; E69-S75 PolarHBondContact OE1-OG 3.49Å; E69-K85 WeakPolarHBondContact OE1-CE 3.39Å; E69-K85 IonicContact OE1-NZ 3.74Å; E69-K85 PolarHBondContact OE1-NZ 3.33Å; E69-K85 IonicContact OE2-NZ 3.8Å; E69-K85 PolarHBondContact OE2-NZ 2.82Å; E69-L87 HydrophobicContact CB-CD1 4.37Å; E69-L87 HydrophobicContact CG-CD1 3.79Å
70D95.1Very high94.9Very high85 Ų8555.6 Ų55.646%0.45528%0.276SS..SBendtrans-152.7-161.8174.663.740.8000111.5R68 L72 A73R68-D70 WeakPolarHBondContact CD-O 3.08Å; R68-D70 WeakPolarHBondContact CG-O 3.35Å; R68-D70 PolarHBondContact NH1-O 2.82Å; D70-L72 VanDerWaalsContact C-N 3.31Å; D70-L72 PolarHBondContact O-N 3.47Å; D70-L72 WeakPolarHBondContact OD1-CA 3.32Å; D70-L72 PolarHBondContact OD1-N 2.89Å; D70-A73 PolarHBondContact N-O 3.12Å; D70-A73 WeakPolarHBondContact OD1-CA 3.48Å; D70-A73 VanDerWaalsContact OD1-CB 3.3Å; D70-A73 WeakPolarHBondContact OD1-CB 3.5Å; D70-A73 PolarHBondContact OD1-N 2.82Å
71S96.6Very high94.2Very high64 Ų6458 Ų5845%0.44829%0.286SS..SBendtrans-67.5-30.7178.852.80000113R68 Q93R68-S71 PolarHBondContact NH1-O 3.19Å; R68-S71 VanDerWaalsContact NH1-O 3.16Å; S71-Q93 VanDerWaalsContact O-CA 3.24Å; S71-Q93 WeakPolarHBondContact O-CA 3.42Å; S71-Q93 WeakPolarHBondContact O-CB 3.5Å
72L98.1Very high92.8Very high75 Ų7561 Ų6139%0.39331%0.311SS..SBendtrans-114.6-3-173-59.7-177.4000113.4D70 C90D70-L72 VanDerWaalsContact C-N 3.31Å; D70-L72 PolarHBondContact O-N 3.47Å; D70-L72 WeakPolarHBondContact OD1-CA 3.32Å; D70-L72 PolarHBondContact OD1-N 2.89Å; L72-C90 WeakPolarHBondContact O-CA 3.44Å; L72-C90 VanDerWaalsContact O-CB 3.3Å; L72-C90 WeakPolarHBondContact O-CB 3.35Å; L72-C90 PolarHBondContact O-N 3.01Å
73A98.3Very high91.6Very high3 Ų365.7 Ų65.73%0.02533%0.333CS..EExtended strand (participates in β ladder)trans-133.4145.7-174.300000112.9E69 D70 L87 F88 E89E69-A73 HydrophobicContact CB-CB 4.3Å; E69-A73 PolarHBondContact N-O 3.04Å; D70-A73 PolarHBondContact N-O 3.12Å; D70-A73 WeakPolarHBondContact OD1-CA 3.48Å; D70-A73 VanDerWaalsContact OD1-CB 3.3Å; D70-A73 WeakPolarHBondContact OD1-CB 3.5Å; D70-A73 PolarHBondContact OD1-N 2.82Å; A73-L87 HydrophobicContact CB-CD1 4.35Å; A73-F88 WeakPolarHBondContact CA-O 3.4Å; A73-F88 WeakPolarHBondContact CB-O 3.21Å; A73-E89 HydrophobicContact CB-CG 4.36Å
74F98.6Very high91.3Very high0 Ų067.2 Ų67.20%034%0.335CS..EExtended strand (participates in β ladder)trans-136.2161.9172.170.3-90.3000110.1L22 V66 E67 I76 F88 W99 I100 I103L22-F74 HydrophobicContact CD1-CZ 4.47Å; V66-F74 HydrophobicContact CG1-CD2 4.11Å; E67-F74 CarbonylContact O-C 3.49Å; E67-F74 WeakPolarHBondContact O-CA 3.28Å; E67-F74 WeakPolarHBondContact O-CB 3.41Å; F74-I76 HydrophobicContact CD2-CG1 4.37Å; F74-I76 HydrophobicContact CE2-CD1 4.28Å; F74-I76 HydrophobicContact CE2-CG1 4.18Å; F74-F88 HydrophobicContact CD1-CB 4.02Å; F74-F88 HydrophobicContact CD2-CB 4.24Å; F74-F88 HydrophobicContact CD2-CD2 4.02Å; F74-F88 HydrophobicContact CD2-CG 4.48Å; F74-F88 HydrophobicContact CE1-CB 3.55Å; F74-F88 HydrophobicContact CE1-CG 4.29Å; F74-F88 HydrophobicContact CE2-CB 3.78Å; F74-F88 AromaticContact CE2-CD2 3.43Å; F74-F88 HydrophobicContact CE2-CD2 3.43Å; F74-F88 VanDerWaalsContact CE2-CD2 3.43Å; F74-F88 HydrophobicContact CE2-CE2 4.2Å; F74-F88 AromaticContact CE2-CG 3.74Å; F74-F88 HydrophobicContact CE2-CG 3.74Å; F74-F88 HydrophobicContact CG-CB 4.34Å; F74-F88 HydrophobicContact CZ-CB 3.42Å; F74-F88 VanDerWaalsContact CZ-CB 3.42Å; F74-F88 HydrophobicContact CZ-CD1 4.38Å; F74-F88 AromaticContact CZ-CD2 3.85Å; F74-F88 HydrophobicContact CZ-CD2 3.85Å; F74-F88 AromaticContact CZ-CG 3.63Å; F74-F88 HydrophobicContact CZ-CG 3.63Å; F74-F88 PolarHBondContact N-O 3.4Å; F74-F88 PolarHBondContact O-N 3.43Å; F74-W99 HydrophobicContact CD1-CB 4.38Å; F74-W99 HydrophobicContact CE1-CB 3.57Å; F74-W99 HydrophobicContact CE1-CG 4.12Å; F74-W99 HydrophobicContact CZ-CB 3.83Å; F74-W99 HydrophobicContact CZ-CG 4.32Å; F74-I100 HydrophobicContact CB-CD1 3.84Å; F74-I100 HydrophobicContact CB-CG1 3.72Å; F74-I100 HydrophobicContact CD1-CG1 4.29Å; F74-I100 HydrophobicContact CD2-CG1 4.43Å; F74-I100 HydrophobicContact CG-CG1 3.91Å; F74-I103 HydrophobicContact CD2-CD1 4.44Å; F74-I103 HydrophobicContact CE2-CD1 3.47Å; F74-I103 VanDerWaalsContact CE2-CD1 3.47Å; F74-I103 HydrophobicContact CZ-CD1 3.74Å
75S97.9Very high91.2Very high0 Ų069.5 Ų69.50%034%0.343CS..EExtended strand (participates in β ladder)trans-127.2157.5176.575.10000112.2V66 E67 E69 K85 Y86V66-S75 VanDerWaalsContact CA-O 3.32Å; V66-S75 WeakPolarHBondContact CA-O 3.48Å; E67-S75 PolarHBondContact N-O 2.63Å; E67-S75 PolarHBondContact O-N 2.95Å; E69-S75 VanDerWaalsContact OE1-CB 3.23Å; E69-S75 WeakPolarHBondContact OE1-CB 3.42Å; E69-S75 PolarHBondContact OE1-OG 3.49Å; S75-K85 VanDerWaalsContact OG-CE 3.26Å; S75-K85 WeakPolarHBondContact OG-CE 3.47Å; S75-Y86 CarbonylContact C-O 3.59Å; S75-Y86 WeakPolarHBondContact CA-O 3.4Å; S75-Y86 VanDerWaalsContact CB-O 3.29Å; S75-Y86 WeakPolarHBondContact CB-O 3.32Å
76I97.6Very high91.3Very high0 Ų063.6 Ų63.60%032%0.321CS..EExtended strand (participates in β ladder)trans-124.8128.2171.1-50.7177.6000107.9L45 L59 C64 R65 V66 F74 F78 Y86 F88 I103L45-I76 HydrophobicContact CD2-CD1 3.67Å; L59-I76 HydrophobicContact CD1-CD1 4.48Å; C64-I76 HydrophobicContact CB-CG2 3.94Å; R65-I76 WeakPolarHBondContact O-CA 3.34Å; V66-I76 HydrophobicContact CG2-CG1 4.5Å; F74-I76 HydrophobicContact CD2-CG1 4.37Å; F74-I76 HydrophobicContact CE2-CD1 4.28Å; F74-I76 HydrophobicContact CE2-CG1 4.18Å; I76-F78 HydrophobicContact CG2-CE1 4.27Å; I76-F78 HydrophobicContact CG2-CE2 3.9Å; I76-F78 HydrophobicContact CG2-CZ 3.65Å; I76-Y86 PolarHBondContact N-O 2.99Å; I76-Y86 PolarHBondContact O-N 3.41Å; I76-F88 HydrophobicContact CB-CE2 4.45Å; I76-F88 HydrophobicContact CD1-CD2 4.37Å; I76-F88 HydrophobicContact CD1-CE2 3.66Å; I76-F88 HydrophobicContact CD1-CZ 4.28Å; I76-F88 HydrophobicContact CG1-CD2 4.31Å; I76-F88 HydrophobicContact CG1-CE2 3.87Å; I76-I103 HydrophobicContact CD1-CD1 4.03Å; I76-I103 HydrophobicContact CD1-CG2 4.23Å
77T95.9Very high91.3Very high23 Ų2363.4 Ų63.414%0.14132%0.318CS..EExtended strand (participates in β ladder)trans-122.8158.8169.652.20000109.4C64 R65 K85C64-T77 CarbonylContact C-O 3.46Å; C64-T77 VanDerWaalsContact CA-O 3.23Å; C64-T77 WeakPolarHBondContact CA-O 3.2Å; R65-T77 PolarHBondContact N-O 2.81Å; R65-T77 PolarHBondContact O-N 2.94Å; T77-K85 HydrophobicContact CG2-CB 3.9Å; T77-K85 HydrophobicContact CG2-CG 3.95Å
78F92.9Very high91.4Very high27 Ų2760.6 Ų60.612%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-122.2138.9-178.4-61.5-88.5000109.4L59 L60 Q63 C64 I76 D80 E81 A82 Y86L59-F78 HydrophobicContact CB-CZ 3.97Å; L59-F78 HydrophobicContact CD1-CE2 4.43Å; L59-F78 HydrophobicContact CD1-CZ 4.22Å; L59-F78 HydrophobicContact CD2-CE2 4.49Å; L59-F78 HydrophobicContact CD2-CZ 4.47Å; L59-F78 HydrophobicContact CG-CZ 4.45Å; L60-F78 WeakPolarHBondContact O-CE1 3.34Å; Q63-F78 WeakPolarHBondContact O-CA 3.5Å; C64-F78 HydrophobicContact CB-CD1 3.72Å; C64-F78 HydrophobicContact CB-CE1 3.58Å; C64-F78 HydrophobicContact CB-CZ 4.35Å; I76-F78 HydrophobicContact CG2-CE1 4.27Å; I76-F78 HydrophobicContact CG2-CE2 3.9Å; I76-F78 HydrophobicContact CG2-CZ 3.65Å; F78-D80 VanDerWaalsContact C-N 3.32Å; F78-D80 PolarHBondContact O-N 3.41Å; F78-E81 HydrophobicContact CB-CB 4.48Å; F78-E81 CarbonylContact O-C 3.09Å; F78-E81 PolarHBondContact O-N 3.32Å; F78-E81 VanDerWaalsContact O-N 3.1Å; F78-A82 WeakPolarHBondContact O-CA 3.26Å; F78-A82 PolarHBondContact O-N 3.28Å; F78-Y86 HydrophobicContact CD2-CD2 4.44Å; F78-Y86 HydrophobicContact CD2-CE2 4.24Å; F78-Y86 AromaticContact CE2-CD2 3.8Å; F78-Y86 HydrophobicContact CE2-CD2 3.8Å; F78-Y86 AromaticContact CE2-CE2 3.74Å; F78-Y86 HydrophobicContact CE2-CE2 3.74Å
79L87.3Confident91.4Very high112 Ų11260.2 Ų60.259%0.58631%0.307SS*.THydrogen-bonded Turntrans-56.9-45-176.2-92.878.2000112.5Q63 E81Q63-L79 HydrophobicContact CB-CB 4.26Å; Q63-L79 HydrophobicContact CB-CD1 4.36Å; Q63-L79 WeakPolarHBondContact O-CD1 3.31Å; Q63-L79 PolarHBondContact O-N 2.98Å; L79-E81 PolarHBondContact O-N 3.22Å
80D80Confident91.5Very high154 Ų15456.9 Ų56.982%0.82429%0.293SS*.THydrogen-bonded Turntrans-75.2-13.5-177.8-66.1-22.9000113.2F78F78-D80 VanDerWaalsContact C-N 3.32Å; F78-D80 PolarHBondContact O-N 3.41Å
81E79.1Confident91.6Very high80 Ų8057.7 Ų57.737%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-138.949-177.6-59-172.1153.300110.2F78 L79 E83 R84F78-E81 HydrophobicContact CB-CB 4.48Å; F78-E81 CarbonylContact O-C 3.09Å; F78-E81 PolarHBondContact O-N 3.32Å; F78-E81 VanDerWaalsContact O-N 3.1Å; L79-E81 PolarHBondContact O-N 3.22Å; E81-E83 PolarHBondContact O-N 3Å; E81-R84 HydrophobicContact CB-CB 4.24Å; E81-R84 HydrophobicContact CB-CG 4.16Å; E81-R84 WeakPolarHBondContact O-CA 3.25Å; E81-R84 WeakPolarHBondContact O-CB 3.45Å; E81-R84 PolarHBondContact O-N 3.16Å; E81-R84 IonicContact OE1-CZ 3.25Å; E81-R84 VanDerWaalsContact OE1-CZ 3.31Å; E81-R84 IonicContact OE1-NH1 3.36Å; E81-R84 PolarHBondContact OE1-NH1 3.01Å; E81-R84 IonicContact OE1-NH2 2.91Å; E81-R84 WeakPolarHBondContact OE2-CD 3.33Å; E81-R84 IonicContact OE2-CZ 3.55Å; E81-R84 IonicContact OE2-NE 3.7Å; E81-R84 IonicContact OE2-NH1 3.42Å; E81-R84 PolarHBondContact OE2-NH1 3.22Å
82A66.1Low91.7Very high64 Ų6456.8 Ų56.853%0.52929%0.291SS..EExtended strand (participates in β ladder)trans-57.2-27.9-170.100000113.9F78 R84F78-A82 WeakPolarHBondContact O-CA 3.26Å; F78-A82 PolarHBondContact O-N 3.28Å; A82-R84 PolarHBondContact O-N 3.19Å
83E69.9Low91.7Very high182 Ų18259 Ų5985%0.8530%0.299SS*.EExtended strand (participates in β ladder)trans-69.1-13.6174.8-61.1-57.9145.600113.4E81 K85E81-E83 PolarHBondContact O-N 3Å; E83-K85 PolarHBondContact O-N 3.11Å
84R84.4Confident91.7Very high116 Ų11665.6 Ų65.644%0.43833%0.329SS..EExtended strand (participates in β ladder)trans-93.980.4179.3-63.1-166.4-171.9162.60.8111.5P27 E81 A82 Y86P27-R84 HydrophobicContact CB-CB 3.56Å; P27-R84 HydrophobicContact CB-CG 3.85Å; P27-R84 HydrophobicContact CG-CB 3.93Å; P27-R84 HydrophobicContact CG-CG 4.08Å; E81-R84 HydrophobicContact CB-CB 4.24Å; E81-R84 HydrophobicContact CB-CG 4.16Å; E81-R84 WeakPolarHBondContact O-CA 3.25Å; E81-R84 WeakPolarHBondContact O-CB 3.45Å; E81-R84 PolarHBondContact O-N 3.16Å; E81-R84 IonicContact OE1-CZ 3.25Å; E81-R84 VanDerWaalsContact OE1-CZ 3.31Å; E81-R84 IonicContact OE1-NH1 3.36Å; E81-R84 PolarHBondContact OE1-NH1 3.01Å; E81-R84 IonicContact OE1-NH2 2.91Å; E81-R84 WeakPolarHBondContact OE2-CD 3.33Å; E81-R84 IonicContact OE2-CZ 3.55Å; E81-R84 IonicContact OE2-NE 3.7Å; E81-R84 IonicContact OE2-NH1 3.42Å; E81-R84 PolarHBondContact OE2-NH1 3.22Å; A82-R84 PolarHBondContact O-N 3.19Å; R84-Y86 HydrophobicContact CB-CE2 4.31Å
85K93.2Very high91.6Very high69 Ų6967.3 Ų67.330%0.334%0.337SS..EExtended strand (participates in β ladder)trans-83.1118.3171.9-171.5172.8-174.1171.10111.3P27 E69 S75 T77 E83P27-K85 WeakPolarHBondContact CA-O 3.47Å; E69-K85 WeakPolarHBondContact OE1-CE 3.39Å; E69-K85 IonicContact OE1-NZ 3.74Å; E69-K85 PolarHBondContact OE1-NZ 3.33Å; E69-K85 IonicContact OE2-NZ 3.8Å; E69-K85 PolarHBondContact OE2-NZ 2.82Å; S75-K85 VanDerWaalsContact OG-CE 3.26Å; S75-K85 WeakPolarHBondContact OG-CE 3.47Å; T77-K85 HydrophobicContact CG2-CB 3.9Å; T77-K85 HydrophobicContact CG2-CG 3.95Å; E83-K85 PolarHBondContact O-N 3.11Å
86Y96.8Very high91.7Very high25 Ų2567.3 Ų67.310%0.09834%0.337CS..EExtended strand (participates in β ladder)trans-94.3128.7167.6-64.8-96.6000108.7M24 P27 L59 S75 I76 F78 R84M24-Y86 HydrophobicContact CE-CD1 3.73Å; M24-Y86 HydrophobicContact CE-CE1 4.25Å; P27-Y86 HydrophobicContact CG-CE1 4.12Å; P27-Y86 HydrophobicContact CG-CE2 4.15Å; L59-Y86 HydrophobicContact CD1-CD1 4.08Å; L59-Y86 HydrophobicContact CD1-CD2 4.16Å; L59-Y86 HydrophobicContact CD1-CE1 4.37Å; L59-Y86 HydrophobicContact CD1-CE2 4.45Å; L59-Y86 HydrophobicContact CD1-CG 3.96Å; L59-Y86 HydrophobicContact CD2-CD1 4.3Å; L59-Y86 HydrophobicContact CD2-CD2 4.42Å; L59-Y86 HydrophobicContact CD2-CE1 3.76Å; L59-Y86 HydrophobicContact CD2-CE2 3.9Å; S75-Y86 CarbonylContact C-O 3.59Å; S75-Y86 WeakPolarHBondContact CA-O 3.4Å; S75-Y86 VanDerWaalsContact CB-O 3.29Å; S75-Y86 WeakPolarHBondContact CB-O 3.32Å; I76-Y86 PolarHBondContact N-O 2.99Å; I76-Y86 PolarHBondContact O-N 3.41Å; F78-Y86 HydrophobicContact CD2-CD2 4.44Å; F78-Y86 HydrophobicContact CD2-CE2 4.24Å; F78-Y86 AromaticContact CE2-CD2 3.8Å; F78-Y86 HydrophobicContact CE2-CD2 3.8Å; F78-Y86 AromaticContact CE2-CE2 3.74Å; F78-Y86 HydrophobicContact CE2-CE2 3.74Å; R84-Y86 HydrophobicContact CB-CE2 4.31Å
87L97.8Very high91.7Very high22 Ų2270.8 Ų70.812%0.11535%0.353CS..EExtended strand (participates in β ladder)trans-109137.1177.1-178.176.9000109.4M24 R25 E69 A73M24-L87 WeakPolarHBondContact CA-O 3.28Å; R25-L87 HydrophobicContact CB-CB 4.27Å; R25-L87 PolarHBondContact N-O 3.41Å; R25-L87 PolarHBondContact O-N 2.82Å; E69-L87 HydrophobicContact CB-CD1 4.37Å; E69-L87 HydrophobicContact CG-CD1 3.79Å; A73-L87 HydrophobicContact CB-CD1 4.35Å
88F98.6Very high91.8Very high1 Ų173.2 Ų73.20%0.00436%0.363CS..EExtended strand (participates in β ladder)trans-125130.8176.7-61.2-90.5000110.2L22 G23 M24 V38 L45 L59 A73 F74 I76L22-F88 HydrophobicContact CD1-CB 4.41Å; L22-F88 HydrophobicContact CD1-CD1 4.13Å; G23-F88 CarbonylContact O-C 3.56Å; G23-F88 VanDerWaalsContact O-CA 3.24Å; G23-F88 WeakPolarHBondContact O-CA 3.27Å; M24-F88 HydrophobicContact CB-CD1 4.34Å; M24-F88 HydrophobicContact CB-CE1 4.43Å; M24-F88 HydrophobicContact CE-CE1 4.12Å; M24-F88 HydrophobicContact CE-CZ 4.09Å; M24-F88 HydrophobicContact CG-CD1 4.06Å; M24-F88 HydrophobicContact CG-CE1 3.74Å; M24-F88 HydrophobicContact CG-CZ 4.37Å; M24-F88 HydrophobicContact SD-CE1 3.86Å; M24-F88 HydrophobicContact SD-CZ 4.44Å; V38-F88 HydrophobicContact CG1-CE1 4.49Å; V38-F88 HydrophobicContact CG2-CD1 4.42Å; V38-F88 HydrophobicContact CG2-CE1 4.26Å; L45-F88 HydrophobicContact CD2-CE1 4.19Å; L45-F88 HydrophobicContact CD2-CE2 4.36Å; L45-F88 HydrophobicContact CD2-CZ 3.77Å; L59-F88 HydrophobicContact CD1-CZ 4.18Å; A73-F88 WeakPolarHBondContact CA-O 3.4Å; A73-F88 WeakPolarHBondContact CB-O 3.21Å; F74-F88 HydrophobicContact CD1-CB 4.02Å; F74-F88 HydrophobicContact CD2-CB 4.24Å; F74-F88 HydrophobicContact CD2-CD2 4.02Å; F74-F88 HydrophobicContact CD2-CG 4.48Å; F74-F88 HydrophobicContact CE1-CB 3.55Å; F74-F88 HydrophobicContact CE1-CG 4.29Å; F74-F88 HydrophobicContact CE2-CB 3.78Å; F74-F88 AromaticContact CE2-CD2 3.43Å; F74-F88 HydrophobicContact CE2-CD2 3.43Å; F74-F88 VanDerWaalsContact CE2-CD2 3.43Å; F74-F88 HydrophobicContact CE2-CE2 4.2Å; F74-F88 AromaticContact CE2-CG 3.74Å; F74-F88 HydrophobicContact CE2-CG 3.74Å; F74-F88 HydrophobicContact CG-CB 4.34Å; F74-F88 HydrophobicContact CZ-CB 3.42Å; F74-F88 VanDerWaalsContact CZ-CB 3.42Å; F74-F88 HydrophobicContact CZ-CD1 4.38Å; F74-F88 AromaticContact CZ-CD2 3.85Å; F74-F88 HydrophobicContact CZ-CD2 3.85Å; F74-F88 AromaticContact CZ-CG 3.63Å; F74-F88 HydrophobicContact CZ-CG 3.63Å; F74-F88 PolarHBondContact N-O 3.4Å; F74-F88 PolarHBondContact O-N 3.43Å; I76-F88 HydrophobicContact CB-CE2 4.45Å; I76-F88 HydrophobicContact CD1-CD2 4.37Å; I76-F88 HydrophobicContact CD1-CE2 3.66Å; I76-F88 HydrophobicContact CD1-CZ 4.28Å; I76-F88 HydrophobicContact CG1-CD2 4.31Å; I76-F88 HydrophobicContact CG1-CE2 3.87Å
89E98.5Very high92.1Very high84 Ų8472 Ų7239%0.39336%0.358SS..EExtended strand (participates in β ladder)trans-111.4130.3176.5-64.8179.6176.300109.5L22 G23 A73L22-E89 WeakPolarHBondContact CA-O 3.28Å; G23-E89 PolarHBondContact N-O 2.74Å; G23-E89 PolarHBondContact O-N 2.61Å; A73-E89 HydrophobicContact CB-CG 4.36Å
90C98.4Very high92.6Very high8 Ų867.2 Ų67.25%0.05433%0.333CS..  trans-108.3158.6-176.8-57.90000110.4L22 L72 S92 Q95 C96L22-C90 HydrophobicContact CD2-CB 4.38Å; L72-C90 WeakPolarHBondContact O-CA 3.44Å; L72-C90 VanDerWaalsContact O-CB 3.3Å; L72-C90 WeakPolarHBondContact O-CB 3.35Å; L72-C90 PolarHBondContact O-N 3.01Å; C90-S92 VanDerWaalsContact C-N 3.32Å; C90-Q95 VanDerWaalsContact CA-OE1 3.28Å; C90-Q95 HydrophobicContact CB-CB 4.24Å; C90-Q95 HydrophobicContact CB-CG 4.16Å; C90-Q95 VanDerWaalsContact CB-OE1 3.27Å; C90-C96 HydrophobicContact CB-CB 3.92Å; C90-C96 VanDerWaalsContact SG-CA 3.51Å
91D97.2Very high93.5Very high102 Ų10262.9 Ų62.955%0.54531%0.31SS..SBendtrans-82.1-13.8178.9-62.7-20.9000111.8R35R35-D91 IonicContact CZ-OD1 2.97Å; R35-D91 IonicContact CZ-OD2 3.09Å; R35-D91 IonicContact NH1-OD1 3.22Å; R35-D91 PolarHBondContact NH1-OD1 3.49Å; R35-D91 IonicContact NH1-OD2 2.74Å; R35-D91 IonicContact NH2-OD1 3.1Å; R35-D91 IonicContact NH2-OD2 2.75Å; R35-D91 PolarHBondContact NH2-OD2 3.36Å
92S98.2Very high94.4Very high45 Ų4560.2 Ų60.232%0.31530%0.3SS..SBendtrans-152.6161.3176.379.60000113.4C90 E94 Q95 C96C90-S92 VanDerWaalsContact C-N 3.32Å; S92-E94 VanDerWaalsContact C-N 3.31Å; S92-E94 PolarHBondContact O-N 2.67Å; S92-Q95 PolarHBondContact O-N 3.45Å; S92-Q95 WeakPolarHBondContact OG-CB 3.3Å; S92-Q95 PolarHBondContact OG-N 2.95Å; S92-C96 PolarHBondContact O-N 2.99Å
93Q98.3Very high95.9Very high122 Ų12257.1 Ų57.157%0.5728%0.275SS*.Hα-helixtrans-65-36.5176.5179-178.9-8.600112.5S71 C96 Q97S71-Q93 VanDerWaalsContact O-CA 3.24Å; S71-Q93 WeakPolarHBondContact O-CA 3.42Å; S71-Q93 WeakPolarHBondContact O-CB 3.5Å; Q93-C96 PolarHBondContact O-N 3.06Å; Q93-Q97 PolarHBondContact O-N 3.38Å
94E98.4Very high97.2Very high141 Ų14151.7 Ų51.766%0.65925%0.251SS*.Hα-helixtrans-62-50.9175-178175.6-160.400110.2S92 C96 Q97 E98S92-E94 VanDerWaalsContact C-N 3.31Å; S92-E94 PolarHBondContact O-N 2.67Å; E94-C96 VanDerWaalsContact C-N 3.27Å; E94-C96 PolarHBondContact O-N 2.66Å; E94-Q97 PolarHBondContact O-N 2.97Å; E94-Q97 VanDerWaalsContact O-N 3.11Å; E94-E98 HydrophobicContact CG-CG 4.45Å; E94-E98 WeakPolarHBondContact O-CB 3.27Å; E94-E98 WeakPolarHBondContact O-CG 3.46Å; E94-E98 PolarHBondContact O-N 3.24Å
95Q98.2Very high97.8Very high36 Ų3652.1 Ų52.117%0.16826%0.255CS..Hα-helixtrans-57-43.1177-176.9-176.371.100111.2C90 S92 E98 W99C90-Q95 VanDerWaalsContact CA-OE1 3.28Å; C90-Q95 HydrophobicContact CB-CB 4.24Å; C90-Q95 HydrophobicContact CB-CG 4.16Å; C90-Q95 VanDerWaalsContact CB-OE1 3.27Å; S92-Q95 PolarHBondContact O-N 3.45Å; S92-Q95 WeakPolarHBondContact OG-CB 3.3Å; S92-Q95 PolarHBondContact OG-N 2.95Å; Q95-E98 PolarHBondContact O-N 3.39Å; Q95-W99 PolarHBondContact O-N 2.91Å
96C98.4Very high98Very high0 Ų049.2 Ų49.20%024%0.244CC..Hα-helixtrans-60-48176.2-178.90000112.2C90 S92 Q93 E94 E98 W99 I100C90-C96 HydrophobicContact CB-CB 3.92Å; C90-C96 VanDerWaalsContact SG-CA 3.51Å; S92-C96 PolarHBondContact O-N 2.99Å; Q93-C96 PolarHBondContact O-N 3.06Å; E94-C96 VanDerWaalsContact C-N 3.27Å; E94-C96 PolarHBondContact O-N 2.66Å; C96-E98 PolarHBondContact O-N 3.11Å; C96-W99 PolarHBondContact O-N 3.28Å; C96-I100 VanDerWaalsContact O-CG1 3.31Å; C96-I100 WeakPolarHBondContact O-CG1 3.4Å; C96-I100 PolarHBondContact O-N 3.4Å
97Q98.4Very high98Very high73 Ų7348.6 Ų48.634%0.34124%0.244SC..Hα-helixtrans-62.5-44.9178.3-174.157.148.400111.8Q93 E94 W99 I100 D101Q93-Q97 PolarHBondContact O-N 3.38Å; E94-Q97 PolarHBondContact O-N 2.97Å; E94-Q97 VanDerWaalsContact O-N 3.11Å; Q97-W99 VanDerWaalsContact C-N 3.31Å; Q97-W99 PolarHBondContact O-N 2.9Å; Q97-I100 PolarHBondContact O-N 3.48Å; Q97-D101 PolarHBondContact NE2-OD1 2.91Å; Q97-D101 PolarHBondContact NE2-OD2 3.17Å; Q97-D101 PolarHBondContact O-N 2.85Å
98E98.3Very high97.8Very high75 Ų7551.1 Ų51.135%0.3525%0.253SS..Hα-helixtrans-62.8-37.4-179.8-72.6-169.6138.400112.9R18 E94 Q95 C96 S102R18-E98 VanDerWaalsContact CZ-CB 3.5Å; R18-E98 IonicContact CZ-OE2 3.1Å; R18-E98 IonicContact NH1-OE2 3.78Å; R18-E98 PolarHBondContact NH1-OE2 2.88Å; R18-E98 IonicContact NH2-OE1 2.82Å; R18-E98 IonicContact NH2-OE2 2.61Å; R18-E98 PolarHBondContact NH2-OE2 3.39Å; E94-E98 HydrophobicContact CG-CG 4.45Å; E94-E98 WeakPolarHBondContact O-CB 3.27Å; E94-E98 WeakPolarHBondContact O-CG 3.46Å; E94-E98 PolarHBondContact O-N 3.24Å; Q95-E98 PolarHBondContact O-N 3.39Å; C96-E98 PolarHBondContact O-N 3.11Å; E98-S102 VanDerWaalsContact O-CB 3.31Å; E98-S102 WeakPolarHBondContact O-CB 3.31Å; E98-S102 PolarHBondContact O-N 2.93Å; E98-S102 PolarHBondContact O-OG 3.19Å
99W98.6Very high97.5Very high0 Ų053.3 Ų53.30%026%0.263CS..Hα-helixtrans-65.1-48.1173-86.8113.5000111.9R18 A20 L22 V38 L40 L45 F74 Q95 C96 Q97 D101 S102 I103R18-W99 HydrophobicContact CB-CH2 4.06Å; R18-W99 HydrophobicContact CB-CZ3 4.07Å; R18-W99 VanDerWaalsContact CD-CD2 3.46Å; R18-W99 HydrophobicContact CG-CD2 4.09Å; R18-W99 HydrophobicContact CG-CE3 4.12Å; R18-W99 HydrophobicContact CG-CH2 3.7Å; R18-W99 HydrophobicContact CG-CZ2 3.66Å; R18-W99 HydrophobicContact CG-CZ3 3.93Å; A20-W99 HydrophobicContact CB-CZ2 3.79Å; L22-W99 HydrophobicContact CD1-CD2 4.17Å; L22-W99 HydrophobicContact CD1-CG 4.38Å; L22-W99 HydrophobicContact CD1-CZ2 4.11Å; V38-W99 HydrophobicContact CB-CH2 4.24Å; V38-W99 HydrophobicContact CB-CZ2 4.49Å; V38-W99 HydrophobicContact CG1-CH2 3.93Å; V38-W99 HydrophobicContact CG1-CZ3 4.18Å; L40-W99 HydrophobicContact CB-CZ3 4.08Å; L45-W99 HydrophobicContact CD1-CE3 4.41Å; L45-W99 HydrophobicContact CD1-CZ3 3.73Å; F74-W99 HydrophobicContact CD1-CB 4.38Å; F74-W99 HydrophobicContact CE1-CB 3.57Å; F74-W99 HydrophobicContact CE1-CG 4.12Å; F74-W99 HydrophobicContact CZ-CB 3.83Å; F74-W99 HydrophobicContact CZ-CG 4.32Å; Q95-W99 PolarHBondContact O-N 2.91Å; C96-W99 PolarHBondContact O-N 3.28Å; Q97-W99 VanDerWaalsContact C-N 3.31Å; Q97-W99 PolarHBondContact O-N 2.9Å; W99-D101 VanDerWaalsContact C-N 3.3Å; W99-D101 PolarHBondContact O-N 3.14Å; W99-S102 PolarHBondContact O-N 3.3Å; W99-I103 HydrophobicContact CE3-CD1 4.24Å; W99-I103 HydrophobicContact CE3-CG1 4.41Å; W99-I103 WeakPolarHBondContact O-CB 3.49Å; W99-I103 WeakPolarHBondContact O-CD1 3.29Å; W99-I103 WeakPolarHBondContact O-CG1 3.24Å; W99-I103 PolarHBondContact O-N 3.1Å
100I98.4Very high97.4Very high13 Ų1352.6 Ų52.67%0.06726%0.258CS..Hα-helixtrans-54.5-49.6176.3-68.5167.2000110V66 R68 F74 C96 Q97 S102 I103 I104V66-I100 HydrophobicContact CG1-CB 4.39Å; V66-I100 HydrophobicContact CG1-CG1 4.1Å; V66-I100 HydrophobicContact CG1-CG2 4.12Å; R68-I100 HydrophobicContact CB-CD1 4.03Å; R68-I100 HydrophobicContact CG-CD1 4.47Å; F74-I100 HydrophobicContact CB-CD1 3.84Å; F74-I100 HydrophobicContact CB-CG1 3.72Å; F74-I100 HydrophobicContact CD1-CG1 4.29Å; F74-I100 HydrophobicContact CD2-CG1 4.43Å; F74-I100 HydrophobicContact CG-CG1 3.91Å; C96-I100 VanDerWaalsContact O-CG1 3.31Å; C96-I100 WeakPolarHBondContact O-CG1 3.4Å; C96-I100 PolarHBondContact O-N 3.4Å; Q97-I100 PolarHBondContact O-N 3.48Å; I100-S102 PolarHBondContact O-N 3.06Å; I100-I103 PolarHBondContact O-N 3.42Å; I100-I104 HydrophobicContact CG2-CD1 3.66Å; I100-I104 HydrophobicContact CG2-CG1 4.44Å; I100-I104 WeakPolarHBondContact O-CB 3.46Å; I100-I104 VanDerWaalsContact O-CG1 3.27Å; I100-I104 WeakPolarHBondContact O-CG1 3.27Å; I100-I104 PolarHBondContact O-N 3.14Å
101D98.2Very high97.1Very high63 Ų6355.7 Ų55.734%0.33727%0.273SS..Hα-helixtrans-64-41.3-178.8-69.8-18.9000112.2Q97 W99 K105Q97-D101 PolarHBondContact NE2-OD1 2.91Å; Q97-D101 PolarHBondContact NE2-OD2 3.17Å; Q97-D101 PolarHBondContact O-N 2.85Å; W99-D101 VanDerWaalsContact C-N 3.3Å; W99-D101 PolarHBondContact O-N 3.14Å; D101-K105 WeakPolarHBondContact O-CB 3.38Å; D101-K105 WeakPolarHBondContact O-CD 3.02Å; D101-K105 WeakPolarHBondContact O-CG 3.42Å; D101-K105 PolarHBondContact O-N 2.86Å
102S98.3Very high96.8Very high23 Ų2352.3 Ų52.316%0.16125%0.253CS..Hα-helixtrans-65.9-43.6179.5-56.30000111.2R18 E98 W99 I100 K105 A106R18-S102 PolarHBondContact NE-OG 3.39Å; E98-S102 VanDerWaalsContact O-CB 3.31Å; E98-S102 WeakPolarHBondContact O-CB 3.31Å; E98-S102 PolarHBondContact O-N 2.93Å; E98-S102 PolarHBondContact O-OG 3.19Å; W99-S102 PolarHBondContact O-N 3.3Å; I100-S102 PolarHBondContact O-N 3.06Å; S102-K105 PolarHBondContact O-N 3.42Å; S102-A106 WeakPolarHBondContact O-CB 3.34Å; S102-A106 PolarHBondContact O-N 3.05Å
103I98.2Very high96.5Very high0 Ų057 Ų570%027%0.267CS..Hα-helixtrans-66.7-43.5178.6-65.6162.7000110.5L45 L61 V66 F74 I76 W99 I100 K105 A106 S107L45-I103 HydrophobicContact CD1-CG1 4.49Å; L45-I103 HydrophobicContact CD2-CD1 4.28Å; L61-I103 HydrophobicContact CD1-CB 4.44Å; L61-I103 HydrophobicContact CD1-CG2 3.85Å; L61-I103 HydrophobicContact CD2-CG2 3.82Å; L61-I103 HydrophobicContact CG-CG2 4.44Å; V66-I103 HydrophobicContact CG2-CB 4.31Å; V66-I103 HydrophobicContact CG2-CG2 3.48Å; V66-I103 VanDerWaalsContact CG2-CG2 3.48Å; F74-I103 HydrophobicContact CD2-CD1 4.44Å; F74-I103 HydrophobicContact CE2-CD1 3.47Å; F74-I103 VanDerWaalsContact CE2-CD1 3.47Å; F74-I103 HydrophobicContact CZ-CD1 3.74Å; I76-I103 HydrophobicContact CD1-CD1 4.03Å; I76-I103 HydrophobicContact CD1-CG2 4.23Å; W99-I103 HydrophobicContact CE3-CD1 4.24Å; W99-I103 HydrophobicContact CE3-CG1 4.41Å; W99-I103 WeakPolarHBondContact O-CB 3.49Å; W99-I103 WeakPolarHBondContact O-CD1 3.29Å; W99-I103 WeakPolarHBondContact O-CG1 3.24Å; W99-I103 PolarHBondContact O-N 3.1Å; I100-I103 PolarHBondContact O-N 3.42Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 2.85Å; I103-A106 PolarHBondContact O-N 2.8Å; I103-S107 PolarHBondContact O-N 2.86Å
104I97.4Very high96.3Very high68 Ų6853.5 Ų53.535%0.34925%0.252SS..Hα-helixtrans-59.3-45.8174.9-71.3169.9000110.1V66 I100 A106 S107 F110V66-I104 HydrophobicContact CB-CG1 4.39Å; V66-I104 HydrophobicContact CG2-CG1 4.36Å; I100-I104 HydrophobicContact CG2-CD1 3.66Å; I100-I104 HydrophobicContact CG2-CG1 4.44Å; I100-I104 WeakPolarHBondContact O-CB 3.46Å; I100-I104 VanDerWaalsContact O-CG1 3.27Å; I100-I104 WeakPolarHBondContact O-CG1 3.27Å; I100-I104 PolarHBondContact O-N 3.14Å; I104-A106 VanDerWaalsContact C-N 3.31Å; I104-A106 PolarHBondContact O-N 2.84Å; I104-S107 WeakPolarHBondContact O-CB 3.32Å; I104-S107 PolarHBondContact O-N 2.93Å; I104-S107 PolarHBondContact O-OG 3.44Å; I104-F110 HydrophobicContact CG2-CD2 4.18Å; I104-F110 WeakPolarHBondContact O-CB 3.5Å
105K96.9Very high96Very high124 Ų12449.9 Ų49.954%0.53924%0.237SC..Hα-helixtrans-64.3-34.5179.6-75167.9179.6169.30113.4D101 S102 I103 S107 F110D101-K105 WeakPolarHBondContact O-CB 3.38Å; D101-K105 WeakPolarHBondContact O-CD 3.02Å; D101-K105 WeakPolarHBondContact O-CG 3.42Å; D101-K105 PolarHBondContact O-N 2.86Å; S102-K105 PolarHBondContact O-N 3.42Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 2.85Å; K105-S107 VanDerWaalsContact C-N 3.34Å; K105-F110 VanDerWaalsContact CA-CD1 3.44Å; K105-F110 HydrophobicContact CB-CD1 4.2Å; K105-F110 HydrophobicContact CB-CE1 4Å; K105-F110 HydrophobicContact CG-CD1 4.3Å; K105-F110 HydrophobicContact CG-CE1 3.67Å; K105-F110 HydrophobicContact CG-CZ 3.96Å; K105-F110 VanDerWaalsContact O-CD1 3.3Å; K105-F110 WeakPolarHBondContact O-CD1 3.47Å
106A97.2Very high95.6Very high8 Ų850.8 Ų50.87%0.06624%0.243CC..Hα-helixtrans-80.2-12.4177.300000113.9L40 V42 N43 L61 S102 I103 I104 M111L40-A106 HydrophobicContact CD1-CB 3.84Å; L40-A106 HydrophobicContact CD2-CB 3.98Å; L40-A106 HydrophobicContact CG-CB 4.29Å; V42-A106 WeakPolarHBondContact O-CB 3.13Å; N43-A106 VanDerWaalsContact CB-O 3.25Å; N43-A106 WeakPolarHBondContact CB-O 3.39Å; L61-A106 HydrophobicContact CD1-CB 3.82Å; S102-A106 WeakPolarHBondContact O-CB 3.34Å; S102-A106 PolarHBondContact O-N 3.05Å; I103-A106 PolarHBondContact O-N 2.8Å; I104-A106 VanDerWaalsContact C-N 3.31Å; I104-A106 PolarHBondContact O-N 2.84Å; A106-M111 WeakPolarHBondContact O-CE 3.49Å
107S95.9Very high95.3Very high13 Ų1356.4 Ų56.49%0.09127%0.267CS..SBendtrans-64.2143178.969.70000111.8L61 I103 I104 K105 E109 F110 M111L61-S107 WeakPolarHBondContact O-CA 3.07Å; I103-S107 PolarHBondContact O-N 2.86Å; I104-S107 WeakPolarHBondContact O-CB 3.32Å; I104-S107 PolarHBondContact O-N 2.93Å; I104-S107 PolarHBondContact O-OG 3.44Å; K105-S107 VanDerWaalsContact C-N 3.34Å; S107-E109 PolarHBondContact O-N 2.94Å; S107-F110 PolarHBondContact O-N 2.99Å; S107-F110 VanDerWaalsContact O-N 3.16Å; S107-F110 WeakPolarHBondContact OG-CB 3.43Å; S107-F110 PolarHBondContact OG-N 2.84Å; S107-M111 WeakPolarHBondContact O-CG 3.18Å; S107-M111 PolarHBondContact O-N 2.88Å
108Y94.3Very high95.1Very high75 Ų7559.2 Ų59.229%0.29428%0.276SS..Hα-helixtrans-52.6-42.8178171.8-106.3000111.8L61 F110 M111 R112 F142L61-Y108 PolarHBondContact O-N 2.67Å; Y108-F110 VanDerWaalsContact C-N 3.34Å; Y108-F110 PolarHBondContact O-N 3.37Å; Y108-M111 PolarHBondContact O-N 2.86Å; Y108-R112 WeakPolarHBondContact O-CB 3.44Å; Y108-R112 PolarHBondContact O-N 3Å; Y108-F142 HydrophobicContact CE2-CD1 4.22Å; Y108-F142 AromaticContact CE2-CE1 3.99Å; Y108-F142 HydrophobicContact CE2-CE1 3.99Å; Y108-F142 WeakPolarHBondContact OH-CD1 3.01Å
109E92.9Very high94.7Very high46 Ų4657.1 Ų57.122%0.21526%0.264CS..Hα-helixtrans-64.4-39.5-176.5-65.667.2-153.400111.5Q63 S107 K113Q63-E109 WeakPolarHBondContact CA-OE1 3.23Å; Q63-E109 PolarHBondContact N-OE1 3.49Å; Q63-E109 PolarHBondContact N-OE2 2.74Å; Q63-E109 PolarHBondContact NE2-OE1 2.67Å; S107-E109 PolarHBondContact O-N 2.94Å; E109-K113 WeakPolarHBondContact O-CB 3.24Å; E109-K113 VanDerWaalsContact O-CG 3.27Å; E109-K113 WeakPolarHBondContact O-CG 3.47Å; E109-K113 PolarHBondContact O-N 3.06Å; E109-K113 VanDerWaalsContact O-N 3.11Å
110F94.4Very high94.4Very high69 Ų6961.2 Ų61.230%0.30329%0.29SS..Hα-helixtrans-72.3-48.4176.5-173.6-92.5000111.5I104 K105 S107 Y108 R112 K113 N114I104-F110 HydrophobicContact CG2-CD2 4.18Å; I104-F110 WeakPolarHBondContact O-CB 3.5Å; K105-F110 VanDerWaalsContact CA-CD1 3.44Å; K105-F110 HydrophobicContact CB-CD1 4.2Å; K105-F110 HydrophobicContact CB-CE1 4Å; K105-F110 HydrophobicContact CG-CD1 4.3Å; K105-F110 HydrophobicContact CG-CE1 3.67Å; K105-F110 HydrophobicContact CG-CZ 3.96Å; K105-F110 VanDerWaalsContact O-CD1 3.3Å; K105-F110 WeakPolarHBondContact O-CD1 3.47Å; S107-F110 PolarHBondContact O-N 2.99Å; S107-F110 VanDerWaalsContact O-N 3.16Å; S107-F110 WeakPolarHBondContact OG-CB 3.43Å; S107-F110 PolarHBondContact OG-N 2.84Å; Y108-F110 VanDerWaalsContact C-N 3.34Å; Y108-F110 PolarHBondContact O-N 3.37Å; F110-R112 VanDerWaalsContact C-N 3.26Å; F110-R112 PolarHBondContact O-N 3.38Å; F110-K113 PolarHBondContact O-N 3.4Å; F110-N114 WeakPolarHBondContact CD1-ND2 3.18Å; F110-N114 WeakPolarHBondContact CE1-ND2 3.36Å; F110-N114 WeakPolarHBondContact CZ-ND2 3.19Å; F110-N114 PolarHBondContact O-N 2.73Å; F110-N114 PolarHBondContact O-ND2 2.97Å
111M93.1Very high94.2Very high73 Ų7363.6 Ų63.636%0.3630%0.3SS..Hα-helixtrans-57.2-42.7176.9-69.5-168-65.300111.4N43 A106 S107 Y108 N114 L115N43-M111 HydrophobicContact CB-CE 3.81Å; A106-M111 WeakPolarHBondContact O-CE 3.49Å; S107-M111 WeakPolarHBondContact O-CG 3.18Å; S107-M111 PolarHBondContact O-N 2.88Å; Y108-M111 PolarHBondContact O-N 2.86Å; M111-N114 PolarHBondContact O-N 3.42Å; M111-L115 WeakPolarHBondContact O-CB 3.32Å; M111-L115 PolarHBondContact O-N 2.92Å
112R90.8Very high94.1Very high32 Ų3264 Ų6412%0.12130%0.302CS..Hα-helixtrans-64.8-43.8178.2-178175.5169.3-77.5-36.4112.6Y108 F110 N114 L115 I116 F142 Q143Y108-R112 WeakPolarHBondContact O-CB 3.44Å; Y108-R112 PolarHBondContact O-N 3Å; F110-R112 VanDerWaalsContact C-N 3.26Å; F110-R112 PolarHBondContact O-N 3.38Å; R112-N114 VanDerWaalsContact C-N 3.33Å; R112-N114 PolarHBondContact O-N 2.92Å; R112-L115 PolarHBondContact O-N 3.48Å; R112-I116 HydrophobicContact CG-CD1 4.21Å; R112-I116 WeakPolarHBondContact O-CG1 3.5Å; R112-I116 PolarHBondContact O-N 2.97Å; R112-I116 VanDerWaalsContact O-N 3.13Å; R112-F142 HydrophobicContact CG-CB 4.16Å; R112-F142 HydrophobicContact CG-CD1 4.14Å; R112-F142 PolarHBondContact NE-O 2.77Å; R112-F142 PolarHBondContact NH2-O 3.03Å; R112-Q143 PolarHBondContact NH2-O 3.25Å
113K91.7Very high93.8Very high144 Ų14467.4 Ų67.463%0.62632%0.315SS*.Hα-helixtrans-60.4-43.8174.8-78.1172.9-177.4175.50111.5E109 F110 I116 F117E109-K113 WeakPolarHBondContact O-CB 3.24Å; E109-K113 VanDerWaalsContact O-CG 3.27Å; E109-K113 WeakPolarHBondContact O-CG 3.47Å; E109-K113 PolarHBondContact O-N 3.06Å; E109-K113 VanDerWaalsContact O-N 3.11Å; F110-K113 PolarHBondContact O-N 3.4Å; K113-I116 PolarHBondContact O-N 3.41Å; K113-F117 WeakPolarHBondContact O-CB 3.4Å; K113-F117 PolarHBondContact O-N 2.84Å
114N93.9Very high93.7Very high47 Ų4775 Ų7525%0.25134%0.344SS..Hα-helixtrans-64.8-41.5176.9-75.3-29.8000112.6F110 M111 R112 I116 F117 Y118F110-N114 WeakPolarHBondContact CD1-ND2 3.18Å; F110-N114 WeakPolarHBondContact CE1-ND2 3.36Å; F110-N114 WeakPolarHBondContact CZ-ND2 3.19Å; F110-N114 PolarHBondContact O-N 2.73Å; F110-N114 PolarHBondContact O-ND2 2.97Å; M111-N114 PolarHBondContact O-N 3.42Å; R112-N114 VanDerWaalsContact C-N 3.33Å; R112-N114 PolarHBondContact O-N 2.92Å; N114-I116 VanDerWaalsContact C-N 3.32Å; N114-I116 PolarHBondContact O-N 2.79Å; N114-F117 PolarHBondContact O-N 3.38Å; N114-Y118 HydrophobicContact CB-CD2 4.13Å; N114-Y118 HydrophobicContact CB-CE2 3.88Å; N114-Y118 WeakPolarHBondContact O-CB 3.48Å; N114-Y118 WeakPolarHBondContact O-CD2 3.06Å; N114-Y118 PolarHBondContact O-N 3.33Å
115L91.6Very high93.6Very high65 Ų6577.4 Ų77.434%0.3436%0.357SS..Hα-helixtrans-56.2-49.4176.5-179.965.5000111M111 R112 Y118 R119 L131 F142M111-L115 WeakPolarHBondContact O-CB 3.32Å; M111-L115 PolarHBondContact O-N 2.92Å; R112-L115 PolarHBondContact O-N 3.48Å; L115-Y118 PolarHBondContact O-N 3.03Å; L115-R119 VanDerWaalsContact O-CB 3.27Å; L115-R119 WeakPolarHBondContact O-CB 3.48Å; L115-R119 PolarHBondContact O-N 2.87Å; L115-L131 HydrophobicContact CD1-CD1 4.13Å; L115-F142 HydrophobicContact CD2-CD2 4.08Å; L115-F142 HydrophobicContact CD2-CE2 4.14Å; L115-F142 HydrophobicContact CD2-CG 4.39Å; L115-F142 HydrophobicContact CD2-CZ 4.5Å
116I89.9Confident93.6Very high55 Ų5575.5 Ų75.528%0.28236%0.356SS..Hα-helixtrans-62.7-45.9179-67.4165000110.8R112 K113 N114 T120 V144R112-I116 HydrophobicContact CG-CD1 4.21Å; R112-I116 WeakPolarHBondContact O-CG1 3.5Å; R112-I116 PolarHBondContact O-N 2.97Å; R112-I116 VanDerWaalsContact O-N 3.13Å; K113-I116 PolarHBondContact O-N 3.41Å; N114-I116 VanDerWaalsContact C-N 3.32Å; N114-I116 PolarHBondContact O-N 2.79Å; I116-T120 WeakPolarHBondContact O-CB 3.21Å; I116-T120 PolarHBondContact O-N 2.88Å; I116-T120 PolarHBondContact O-OG1 3.42Å; I116-V144 HydrophobicContact CD1-CG2 3.55Å
117F92.5Very high93.4Very high118 Ų11877.7 Ų77.752%0.51838%0.379SS..Hα-helixtrans-58-53.1177.2175.2-99000111.9K113 N114 T120 E121K113-F117 WeakPolarHBondContact O-CB 3.4Å; K113-F117 PolarHBondContact O-N 2.84Å; N114-F117 PolarHBondContact O-N 3.38Å; F117-T120 PolarHBondContact O-N 3.01Å; F117-E121 WeakPolarHBondContact O-CB 3.46Å; F117-E121 PolarHBondContact O-N 2.99Å
118Y93.9Very high93.1Very high133 Ų13384 Ų8452%0.52241%0.405SS..Hα-helixtrans-67.2-38.7-178.1-67-50.9000112.6N114 L115 T120 E121 I122N114-Y118 HydrophobicContact CB-CD2 4.13Å; N114-Y118 HydrophobicContact CB-CE2 3.88Å; N114-Y118 WeakPolarHBondContact O-CB 3.48Å; N114-Y118 WeakPolarHBondContact O-CD2 3.06Å; N114-Y118 PolarHBondContact O-N 3.33Å; L115-Y118 PolarHBondContact O-N 3.03Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 2.86Å; Y118-E121 PolarHBondContact O-N 2.79Å; Y118-I122 WeakPolarHBondContact O-CB 3.29Å; Y118-I122 WeakPolarHBondContact O-CD1 3.38Å; Y118-I122 WeakPolarHBondContact O-CG1 3.1Å; Y118-I122 PolarHBondContact O-N 2.92Å
119R91.3Very high92.9Very high30 Ų3082 Ų8211%0.11340%0.399CS..Hα-helixtrans-58.5-47.3173.8-171.8-176.5-168.6165.38.9110.9L115 H123 D129 P130 I136 D138L115-R119 VanDerWaalsContact O-CB 3.27Å; L115-R119 WeakPolarHBondContact O-CB 3.48Å; L115-R119 PolarHBondContact O-N 2.87Å; R119-H123 VanDerWaalsContact O-CB 3.31Å; R119-H123 WeakPolarHBondContact O-CB 3.17Å; R119-H123 PolarHBondContact O-N 2.74Å; R119-D129 IonicContact CZ-OD1 2.86Å; R119-D129 IonicContact CZ-OD2 2.97Å; R119-D129 VanDerWaalsContact NE-CG 3.29Å; R119-D129 IonicContact NE-OD1 3.54Å; R119-D129 PolarHBondContact NE-OD1 2.98Å; R119-D129 VanDerWaalsContact NE-OD1 3.09Å; R119-D129 IonicContact NE-OD2 3.61Å; R119-D129 PolarHBondContact NE-OD2 3.33Å; R119-D129 IonicContact NH2-OD1 2.79Å; R119-D129 IonicContact NH2-OD2 3.55Å; R119-D129 PolarHBondContact NH2-OD2 2.83Å; R119-P130 HydrophobicContact CB-CG 4.46Å; R119-P130 HydrophobicContact CG-CG 4.17Å; R119-I136 PolarHBondContact NH2-O 2.78Å; R119-D138 IonicContact CZ-OD1 3.71Å; R119-D138 IonicContact NE-OD1 2.88Å; R119-D138 PolarHBondContact NE-OD1 3.42Å; R119-D138 IonicContact NH1-OD1 3.71Å; R119-D138 PolarHBondContact NH1-OD1 3.1Å; R119-D138 IonicContact NH2-OD1 3.7Å
120T91Very high92.7Very high87 Ų8781.4 Ų81.453%0.53440%0.4SS..Hα-helixtrans-61.8-46.3179.2-56.20000111I116 F117 Y118 H123 R124I116-T120 WeakPolarHBondContact O-CB 3.21Å; I116-T120 PolarHBondContact O-N 2.88Å; I116-T120 PolarHBondContact O-OG1 3.42Å; F117-T120 PolarHBondContact O-N 3.01Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 2.86Å; T120-H123 PolarHBondContact O-N 3.01Å; T120-R124 WeakPolarHBondContact O-CB 3.26Å; T120-R124 PolarHBondContact O-N 2.96Å
121E95.5Very high92.5Very high62 Ų6279.7 Ų79.729%0.2939%0.393SS..Hα-helixtrans-71.6-39.1-175.5-16962.7-176.200112.4F117 Y118 R124 L125F117-E121 WeakPolarHBondContact O-CB 3.46Å; F117-E121 PolarHBondContact O-N 2.99Å; Y118-E121 PolarHBondContact O-N 2.79Å; E121-R124 PolarHBondContact O-N 3.02Å; E121-R124 IonicContact OE1-CZ 3.72Å; E121-R124 IonicContact OE1-NE 3.77Å; E121-R124 PolarHBondContact OE1-NE 2.89Å; E121-R124 IonicContact OE1-NH2 2.99Å; E121-R124 PolarHBondContact OE1-NH2 2.78Å; E121-R124 IonicContact OE2-CZ 3.43Å; E121-R124 IonicContact OE2-NE 3.39Å; E121-R124 PolarHBondContact OE2-NE 2.73Å; E121-R124 IonicContact OE2-NH2 2.66Å; E121-L125 HydrophobicContact CG-CD1 4.31Å; E121-L125 WeakPolarHBondContact O-CB 3.23Å; E121-L125 VanDerWaalsContact O-CG 3.28Å; E121-L125 WeakPolarHBondContact O-CG 3.37Å; E121-L125 PolarHBondContact O-N 2.93Å
122I94.8Very high92.1Very high71 Ų7182.8 Ų82.836%0.36441%0.407SS..Hα-helixtrans-65.9-43.1174.1-66.8165.2000110.5Y118 R124 L125 T126 P130Y118-I122 WeakPolarHBondContact O-CB 3.29Å; Y118-I122 WeakPolarHBondContact O-CD1 3.38Å; Y118-I122 WeakPolarHBondContact O-CG1 3.1Å; Y118-I122 PolarHBondContact O-N 2.92Å; I122-R124 VanDerWaalsContact C-N 3.34Å; I122-R124 PolarHBondContact O-N 2.91Å; I122-L125 PolarHBondContact O-N 3.3Å; I122-T126 HydrophobicContact CG2-CG2 4.15Å; I122-T126 WeakPolarHBondContact O-CB 3.3Å; I122-T126 WeakPolarHBondContact O-CG2 3.25Å; I122-T126 PolarHBondContact O-N 3.22Å; I122-T126 PolarHBondContact O-OG1 2.73Å; I122-P130 HydrophobicContact CB-CG 4.07Å; I122-P130 HydrophobicContact CD1-CB 4.19Å; I122-P130 HydrophobicContact CD1-CG 4.08Å; I122-P130 HydrophobicContact CG2-CB 3.99Å; I122-P130 HydrophobicContact CG2-CG 4Å
123H92.6Very high91.8Very high96 Ų9688.5 Ų88.544%0.44444%0.435SS..Hα-helixtrans-61.1-44.1175.5-177.981.1000111.5R119 T120 L125 T126 G127 K128R119-H123 VanDerWaalsContact O-CB 3.31Å; R119-H123 WeakPolarHBondContact O-CB 3.17Å; R119-H123 PolarHBondContact O-N 2.74Å; T120-H123 PolarHBondContact O-N 3.01Å; H123-L125 VanDerWaalsContact C-N 3.29Å; H123-L125 PolarHBondContact O-N 3.15Å; H123-T126 PolarHBondContact O-N 2.95Å; H123-G127 WeakPolarHBondContact O-CA 3.47Å; H123-G127 PolarHBondContact O-N 3.06Å; H123-K128 VanDerWaalsContact CA-O 3.32Å; H123-K128 WeakPolarHBondContact CA-O 3.34Å
124R95.3Very high91.5Very high160 Ų16089.3 Ų89.360%0.60444%0.435SS*.Hα-helixtrans-58.5-39.5176.1-170.7-173.573.178.7-1112.6T120 E121 I122T120-R124 WeakPolarHBondContact O-CB 3.26Å; T120-R124 PolarHBondContact O-N 2.96Å; E121-R124 PolarHBondContact O-N 3.02Å; E121-R124 IonicContact OE1-CZ 3.72Å; E121-R124 IonicContact OE1-NE 3.77Å; E121-R124 PolarHBondContact OE1-NE 2.89Å; E121-R124 IonicContact OE1-NH2 2.99Å; E121-R124 PolarHBondContact OE1-NH2 2.78Å; E121-R124 IonicContact OE2-CZ 3.43Å; E121-R124 IonicContact OE2-NE 3.39Å; E121-R124 PolarHBondContact OE2-NE 2.73Å; E121-R124 IonicContact OE2-NH2 2.66Å; I122-R124 VanDerWaalsContact C-N 3.34Å; I122-R124 PolarHBondContact O-N 2.91Å
125L96.7Very high90.9Very high117 Ų11789.9 Ų89.961%0.61345%0.452SS*.Hα-helixtrans-82-32.8-177.3-70.9172.5000113.7E121 I122 H123E121-L125 HydrophobicContact CG-CD1 4.31Å; E121-L125 WeakPolarHBondContact O-CB 3.23Å; E121-L125 VanDerWaalsContact O-CG 3.28Å; E121-L125 WeakPolarHBondContact O-CG 3.37Å; E121-L125 PolarHBondContact O-N 2.93Å; I122-L125 PolarHBondContact O-N 3.3Å; H123-L125 VanDerWaalsContact C-N 3.29Å; H123-L125 PolarHBondContact O-N 3.15Å
126T95.9Very high90.3Very high85 Ų8589.8 Ų89.852%0.52145%0.451SS..Hα-helixtrans-112.7-13.3-169.968.50000114I122 H123 K128I122-T126 HydrophobicContact CG2-CG2 4.15Å; I122-T126 WeakPolarHBondContact O-CB 3.3Å; I122-T126 WeakPolarHBondContact O-CG2 3.25Å; I122-T126 PolarHBondContact O-N 3.22Å; I122-T126 PolarHBondContact O-OG1 2.73Å; H123-T126 PolarHBondContact O-N 2.95Å; T126-K128 PolarHBondContact O-N 2.68Å; T126-K128 PolarHBondContact OG1-N 3.5Å; T126-K128 PolarHBondContact OG1-O 3.16Å
127G93.1Very high89.3Confident54 Ų5493.6 Ų93.656%0.55747%0.468SS*.SBendtrans69.95.3-171.600000114.1H123H123-G127 WeakPolarHBondContact O-CA 3.47Å; H123-G127 PolarHBondContact O-N 3.06Å
128K91.3Very high87.9Confident145 Ų14593.8 Ų93.863%0.6347%0.474SS*.SBendtrans-125.9141-176.6-66.6-175.1179.1-176.10110.7H123 T126H123-K128 VanDerWaalsContact CA-O 3.32Å; H123-K128 WeakPolarHBondContact CA-O 3.34Å; T126-K128 PolarHBondContact O-N 2.68Å; T126-K128 PolarHBondContact OG1-N 3.5Å; T126-K128 PolarHBondContact OG1-O 3.16Å
129D88.8Confident86Confident32 Ų3295 Ų9517%0.17149%0.485CS..  trans-75.7123172.7-178.5-18.3000110R119 L131 E132R119-D129 IonicContact CZ-OD1 2.86Å; R119-D129 IonicContact CZ-OD2 2.97Å; R119-D129 VanDerWaalsContact NE-CG 3.29Å; R119-D129 IonicContact NE-OD1 3.54Å; R119-D129 PolarHBondContact NE-OD1 2.98Å; R119-D129 VanDerWaalsContact NE-OD1 3.09Å; R119-D129 IonicContact NE-OD2 3.61Å; R119-D129 PolarHBondContact NE-OD2 3.33Å; R119-D129 IonicContact NH2-OD1 2.79Å; R119-D129 IonicContact NH2-OD2 3.55Å; R119-D129 PolarHBondContact NH2-OD2 2.83Å; D129-L131 PolarHBondContact O-N 2.87Å; D129-L131 VanDerWaalsContact O-N 3.11Å; D129-L131 PolarHBondContact OD1-N 3.41Å; D129-E132 HydrophobicContact CB-CB 4.12Å; D129-E132 WeakPolarHBondContact O-CB 3.46Å; D129-E132 PolarHBondContact O-N 2.9Å
130P89.5Confident84.4Confident35 Ų3596.4 Ų96.423%0.22750%0.497CS..THydrogen-bonded Turntrans-60.9-21.4-178.824.2-34.1000114R119 I122 Q133R119-P130 HydrophobicContact CB-CG 4.46Å; R119-P130 HydrophobicContact CG-CG 4.17Å; I122-P130 HydrophobicContact CB-CG 4.07Å; I122-P130 HydrophobicContact CD1-CB 4.19Å; I122-P130 HydrophobicContact CD1-CG 4.08Å; I122-P130 HydrophobicContact CG2-CB 3.99Å; I122-P130 HydrophobicContact CG2-CG 4Å; P130-Q133 PolarHBondContact O-NE2 2.91Å
131L89.5Confident82.7Confident33 Ų33103 Ų10317%0.17351%0.512CS..THydrogen-bonded Turntrans-101.4-5.8-175.3-56.9-177000114.4L115 D129 Q133 Y134 I136L115-L131 HydrophobicContact CD1-CD1 4.13Å; D129-L131 PolarHBondContact O-N 2.87Å; D129-L131 VanDerWaalsContact O-N 3.11Å; D129-L131 PolarHBondContact OD1-N 3.41Å; L131-Q133 VanDerWaalsContact C-N 3.28Å; L131-Q133 PolarHBondContact O-N 2.89Å; L131-Y134 HydrophobicContact CD2-CD2 4.31Å; L131-Y134 PolarHBondContact O-N 2.96Å; L131-I136 HydrophobicContact CB-CB 4.15Å; L131-I136 HydrophobicContact CD1-CG2 4.29Å
132E85.4Confident80.8Confident137 Ų137103.7 Ų103.764%0.6451%0.514SS*.G310 helixtrans-55.2-42.9-178.5-174.1178.2-171.600112.2D129 Y134 G135D129-E132 HydrophobicContact CB-CB 4.12Å; D129-E132 WeakPolarHBondContact O-CB 3.46Å; D129-E132 PolarHBondContact O-N 2.9Å; E132-Y134 PolarHBondContact O-N 2.92Å; E132-Y134 VanDerWaalsContact O-N 3.11Å; E132-G135 PolarHBondContact O-N 2.96Å
133Q83.8Confident78.7Confident153 Ų153107.3 Ų107.372%0.71553%0.529SS*.G310 helixtrans-61.8-20.1178.868.9-172.3-44.300114.2P130 L131P130-Q133 PolarHBondContact O-NE2 2.91Å; L131-Q133 VanDerWaalsContact C-N 3.28Å; L131-Q133 PolarHBondContact O-N 2.89Å
134Y84.6Confident76.6Confident160 Ų160106.4 Ų106.463%0.62753%0.531SS*.G310 helixtrans-95.91.6177.9-57.6-74.2000112.4L131 E132 I136L131-Y134 HydrophobicContact CD2-CD2 4.31Å; L131-Y134 PolarHBondContact O-N 2.96Å; E132-Y134 PolarHBondContact O-N 2.92Å; E132-Y134 VanDerWaalsContact O-N 3.11Å; Y134-I136 PolarHBondContact O-N 2.85Å
135G81.6Confident74.2Confident59 Ų59105.4 Ų105.461%0.60854%0.543SS*.THydrogen-bonded Turntrans67.722.6-177.600000113.9E132 E137E132-G135 PolarHBondContact O-N 2.96Å; G135-E137 PolarHBondContact O-N 2.59Å
136I79.9Confident71.7Confident63 Ų63104 Ų10432%0.32354%0.543SS..  trans-94.292.1179.7-57.5173.9000107.7R119 L131 Y134 T140R119-I136 PolarHBondContact NH2-O 2.78Å; L131-I136 HydrophobicContact CB-CB 4.15Å; L131-I136 HydrophobicContact CD1-CG2 4.29Å; Y134-I136 PolarHBondContact O-N 2.85Å; I136-T140 VanDerWaalsContact CG2-OG1 3.28Å; I136-T140 WeakPolarHBondContact CG2-OG1 3.22Å
137E69Low69.1Low135 Ų135103.7 Ų103.763%0.63156%0.556SS**  trans-72.8161179.9-63.6-178.8176.400112.2G135 E139 T140G135-E137 PolarHBondContact O-N 2.59Å; E137-E139 PolarHBondContact O-N 2.74Å; E137-T140 HydrophobicContact CB-CG2 4.42Å; E137-T140 PolarHBondContact N-OG1 2.88Å; E137-T140 PolarHBondContact O-N 3.22Å; E137-T140 PolarHBondContact O-OG1 3.27Å
138D61.8Low66.3Low122 Ų122108.2 Ų108.265%0.65257%0.567SS**THydrogen-bonded Turntrans-57.3-31.3179-96.9-23.2000113.7R119 T140R119-D138 IonicContact CZ-OD1 3.71Å; R119-D138 IonicContact NE-OD1 2.88Å; R119-D138 PolarHBondContact NE-OD1 3.42Å; R119-D138 IonicContact NH1-OD1 3.71Å; R119-D138 PolarHBondContact NH1-OD1 3.1Å; R119-D138 IonicContact NH2-OD1 3.7Å; D138-T140 VanDerWaalsContact C-N 3.27Å; D138-T140 PolarHBondContact O-N 2.68Å
139E55.1Low63.7Low158 Ų158109.3 Ų109.374%0.73857%0.574SS**THydrogen-bonded Turntrans-77.2-11.2177.9-63.9-156.2160.300113.8E137 R141E137-E139 PolarHBondContact O-N 2.74Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.46Å
140T56.8Low61.3Low60 Ų60115.7 Ų115.737%0.36861%0.607SS.*SBendtrans-74.987.2179.657.40000111I136 E137 D138 F142I136-T140 VanDerWaalsContact CG2-OG1 3.28Å; I136-T140 WeakPolarHBondContact CG2-OG1 3.22Å; E137-T140 HydrophobicContact CB-CG2 4.42Å; E137-T140 PolarHBondContact N-OG1 2.88Å; E137-T140 PolarHBondContact O-N 3.22Å; E137-T140 PolarHBondContact O-OG1 3.27Å; D138-T140 VanDerWaalsContact C-N 3.27Å; D138-T140 PolarHBondContact O-N 2.68Å; T140-F142 WeakPolarHBondContact O-CD2 3.49Å; T140-F142 PolarHBondContact O-N 2.78Å
141R55.6Low58.8Low225 Ų225120.7 Ų120.785%0.84963%0.629SS**SBendtrans73.611.7145.4-131.9173.7175.1175.1-3.1118.9E139E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.46Å
142F55.7Low56.3Low77 Ų77124.1 Ų124.134%0.33865%0.654SS.*  trans-131.455.4174.1-52.3-76.3000111.9Y108 R112 L115 T140Y108-F142 HydrophobicContact CE2-CD1 4.22Å; Y108-F142 AromaticContact CE2-CE1 3.99Å; Y108-F142 HydrophobicContact CE2-CE1 3.99Å; Y108-F142 WeakPolarHBondContact OH-CD1 3.01Å; R112-F142 HydrophobicContact CG-CB 4.16Å; R112-F142 HydrophobicContact CG-CD1 4.14Å; R112-F142 PolarHBondContact NE-O 2.77Å; R112-F142 PolarHBondContact NH2-O 3.03Å; L115-F142 HydrophobicContact CD2-CD2 4.08Å; L115-F142 HydrophobicContact CD2-CE2 4.14Å; L115-F142 HydrophobicContact CD2-CG 4.39Å; L115-F142 HydrophobicContact CD2-CZ 4.5Å; T140-F142 WeakPolarHBondContact O-CD2 3.49Å; T140-F142 PolarHBondContact O-N 2.78Å
143Q50.3Low54.4Low147 Ų147127.5 Ų127.569%0.68767%0.666SS**  trans-77.2130.2175.6-65.4-176.86.800111.6R112 T145R112-Q143 PolarHBondContact NH2-O 3.25Å; Q143-T145 PolarHBondContact O-N 3.35Å
144V48.7Very low52.7Low78 Ų78127.4 Ų127.447%0.47367%0.67SS.*  trans-81.9112.4171.4-172.90000103.4I116 S146I116-V144 HydrophobicContact CD1-CG2 3.55Å; V144-S146 PolarHBondContact O-N 3.1Å
145T44.2Very low50.9Low139 Ų139131.3 Ų131.385%0.85370%0.7SS**  trans-66.483.5160.8-16.50000106.1Q143 G147Q143-T145 PolarHBondContact O-N 3.35Å; T145-G147 VanDerWaalsContact C-N 3.31Å; T145-G147 PolarHBondContact O-N 3.32Å
146S44.8Very low49.4Very low88 Ų88135 Ų13562%0.61571%0.705SS**  trans-63.7104161.9-43.50000103.5V144 L148V144-S146 PolarHBondContact O-N 3.1Å; S146-L148 PolarHBondContact O-N 3.28Å
147G41.1Very low47.8Very low78 Ų78138.7 Ų138.780%0.80473%0.725SS**SBendtrans-67.848.8179.500000113.2T145T145-G147 VanDerWaalsContact C-N 3.31Å; T145-G147 PolarHBondContact O-N 3.32Å
148L35.1Very low46.6Very low148 Ų148138.9 Ų138.978%0.77573%0.73SS**  trans-125.490.9165.9-76.1165000106.1S146 L150S146-L148 PolarHBondContact O-N 3.28Å; L148-L150 VanDerWaalsContact C-N 3.29Å; L148-L150 PolarHBondContact O-N 2.76Å
149Q35.8Very low45.7Very low168 Ų168139.9 Ų139.979%0.78573%0.734SS**  trans-54.3102.4156.3-79.6172.3-26.700106.7M151Q149-M151 VanDerWaalsContact C-N 3.26Å; Q149-M151 PolarHBondContact O-N 2.71Å
150L38.2Very low45.1Very low167 Ų167138.8 Ų138.887%0.87473%0.734SS**  trans-62.697.5161.1-84152.4000105.9L148L148-L150 VanDerWaalsContact C-N 3.29Å; L148-L150 PolarHBondContact O-N 2.76Å
151M38.8Very low44.4Very low140 Ų140144.1 Ų144.169%0.6976%0.759SS**  trans-57.3133.5167.5-68.1-68.2177.600107.8Q149 K153Q149-M151 VanDerWaalsContact C-N 3.26Å; Q149-M151 PolarHBondContact O-N 2.71Å; M151-K153 PolarHBondContact O-N 2.97Å
152P37Very low43.6Very low105 Ų105138.3 Ų138.368%0.68275%0.752SS**  trans-58130.3174-17.629.5000108.9D154P152-D154 PolarHBondContact O-N 3.26Å; P152-D154 VanDerWaalsContact O-N 3.15Å
153K44.6Very low42.6Very low207 Ų207143 Ų14390%0.978%0.784SS**  trans-73.4102.6162.6-76.5-177.2175.6-179.50106.5M151M151-K153 PolarHBondContact O-N 2.97Å
154D48Very low42Very low151 Ų151142.7 Ų142.781%0.80779%0.792SS**  trans-62141.1166.3-69.6-40.2000109.7P152P152-D154 PolarHBondContact O-N 3.26Å; P152-D154 VanDerWaalsContact O-N 3.15Å
155I47.6Very low41.4Very low243 Ų243148.5 Ų148.5100%1.24682%0.821SS**  trans-67.70179.5-66.5163.5000110.6

Retrieved 155 of 155 residues in 1104.9 ms (Link to these results)

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