A0A093HKD1_STRCA Loading...

Interferon regulatory factor

AlphaFold DB , UniProt , Accession A0A093HKD1, Species STRCA (Struthio camelus australis), Gene n/a, Length 348 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
1M41.4Very low82Confident229 Ų229111.1 Ų111.1100%1.12854%0.54SS*.  0147.40-71-158.2160.100109.2V3M1-V3 PolarHBondContact O-N 3.43Å
2P60Low83.2Confident131 Ų131101.8 Ų101.885%0.85150%0.495SS*.  trans-61.5128.6173.3-15.528.8000109.3E4P2-E4 PolarHBondContact O-N 2.97Å
3V65.6Low84.1Confident124 Ų12497.8 Ų97.875%0.75248%0.475SS*.  trans-63.9119.4172.9179.30000107.9M1 R5M1-V3 PolarHBondContact O-N 3.43Å; V3-R5 PolarHBondContact O-N 2.9Å; V3-R5 VanDerWaalsContact O-N 3.14Å
4E80.1Confident85Confident190 Ų19098.6 Ų98.689%0.88848%0.477SS*.  trans-65.1113.2174.1-173.7169-170.600108.7P2P2-E4 PolarHBondContact O-N 2.97Å
5R86.7Confident85.8Confident168 Ų16893.7 Ų93.763%0.63445%0.453SS*.PPolyproline II helixtrans-83.8133.4178.6-65.2-169.5-170.591.6-1.6109.9V3V3-R5 PolarHBondContact O-N 2.9Å; V3-R5 VanDerWaalsContact O-N 3.14Å
6M92.7Very high86.5Confident66 Ų6687.8 Ų87.833%0.32542%0.424SS..PPolyproline II helixtrans-61.5142.5178.2-174.7163.147.700111.5P10 W11 E14 H61M6-P10 HydrophobicContact CG-CB 4.09Å; M6-P10 HydrophobicContact CG-CG 3.75Å; M6-P10 HydrophobicContact SD-CB 3.94Å; M6-P10 HydrophobicContact SD-CG 4.28Å; M6-W11 HydrophobicContact CE-CB 3.67Å; M6-W11 HydrophobicContact CE-CG 4.11Å; M6-W11 HydrophobicContact CG-CB 4.1Å; M6-W11 HydrophobicContact SD-CB 4.35Å; M6-E14 WeakPolarHBondContact CE-OE2 3.29Å; M6-H61 PolarHBondContact O-CE1 2.71Å
7R93.9Very high87.1Confident208 Ų20886.7 Ų86.779%0.78542%0.421SS*.PPolyproline II helixtrans-69.3158.3175.3-74-174.6137.2107.7-0.1110.9R9 P10 W11R7-R9 PolarHBondContact O-N 3.38Å; R7-P10 HydrophobicContact CB-CG 3.98Å; R7-P10 VanDerWaalsContact O-CD 3.23Å; R7-P10 WeakPolarHBondContact O-CD 3.29Å; R7-P10 VanDerWaalsContact O-CG 3.31Å; R7-P10 WeakPolarHBondContact O-CG 3.21Å; R7-W11 VanDerWaalsContact O-CB 3.23Å; R7-W11 WeakPolarHBondContact O-CB 3.31Å; R7-W11 PolarHBondContact O-N 3.43Å
8M95.3Very high87.5Confident13 Ų1384.9 Ų84.96%0.06442%0.419CS..Hα-helixtrans-56.5-50.5-176.7-166.8-70.4-115.100112.6W11 L12 W58 A84 M85 L88 I91M8-W11 WeakPolarHBondContact O-CB 3.45Å; M8-W11 PolarHBondContact O-N 3.07Å; M8-L12 HydrophobicContact CE-CD2 4.1Å; M8-L12 WeakPolarHBondContact O-CB 3.47Å; M8-L12 PolarHBondContact O-N 3.3Å; M8-L12 HydrophobicContact SD-CB 3.74Å; M8-L12 HydrophobicContact SD-CD2 3.87Å; M8-L12 HydrophobicContact SD-CG 4.42Å; M8-W58 HydrophobicContact CB-CH2 3.42Å; M8-W58 VanDerWaalsContact CB-CH2 3.42Å; M8-W58 HydrophobicContact CB-CZ2 3.86Å; M8-W58 HydrophobicContact CB-CZ3 4.04Å; M8-W58 HydrophobicContact CG-CE3 4.41Å; M8-W58 HydrophobicContact CG-CH2 3.58Å; M8-W58 HydrophobicContact CG-CZ2 3.73Å; M8-W58 HydrophobicContact CG-CZ3 3.94Å; M8-A84 HydrophobicContact CG-CB 4.18Å; M8-M85 VanDerWaalsContact CE-CA 3.48Å; M8-M85 HydrophobicContact CE-CB 4.04Å; M8-M85 HydrophobicContact CE-CE 4.47Å; M8-M85 HydrophobicContact CE-CG 3.53Å; M8-M85 HydrophobicContact CE-SD 3.06Å; M8-M85 WeakPolarHBondContact CE-SD 3.28Å; M8-M85 HydrophobicContact SD-SD 4.33Å; M8-L88 HydrophobicContact CB-CD1 4.25Å; M8-L88 HydrophobicContact CE-CD1 3.29Å; M8-L88 HydrophobicContact CE-CG 4.33Å; M8-L88 HydrophobicContact CG-CD1 4.36Å; M8-L88 HydrophobicContact SD-CD1 3.73Å; M8-I91 HydrophobicContact CE-CD1 4.41Å
9R94.8Very high87.8Confident27 Ų2785.9 Ų85.910%0.10243%0.426CS..Hα-helixtrans-54.2-57.6-177.6175.3175.7176.8161.111.3113.6R7 W11 L12 E13 L88 D90 I91 M111 L112R7-R9 PolarHBondContact O-N 3.38Å; R9-W11 VanDerWaalsContact C-N 3.29Å; R9-W11 PolarHBondContact O-N 3.26Å; R9-L12 PolarHBondContact O-N 3.29Å; R9-E13 PolarHBondContact O-N 3.39Å; R9-L88 HydrophobicContact CB-CD1 4.25Å; R9-D90 WeakPolarHBondContact CD-OD2 3.42Å; R9-D90 IonicContact CZ-OD2 3.69Å; R9-D90 IonicContact NE-OD2 3.69Å; R9-D90 VanDerWaalsContact NH1-CB 3.26Å; R9-D90 IonicContact NH1-OD2 2.71Å; R9-D90 PolarHBondContact NH1-OD2 3.1Å; R9-I91 HydrophobicContact CB-CD1 4.44Å; R9-I91 HydrophobicContact CG-CD1 4.41Å; R9-M111 HydrophobicContact CG-SD 4.25Å; R9-L112 VanDerWaalsContact CZ-O 3.32Å; R9-L112 PolarHBondContact NH1-O 3.3Å; R9-L112 PolarHBondContact NH2-O 3.19Å
10P94.9Very high88.1Confident58 Ų5886.5 Ų86.538%0.37744%0.435SS..Hα-helixtrans-64.2-35.1178.422.8-32.2000112.2M6 R7 L12 E13 E14M6-P10 HydrophobicContact CG-CB 4.09Å; M6-P10 HydrophobicContact CG-CG 3.75Å; M6-P10 HydrophobicContact SD-CB 3.94Å; M6-P10 HydrophobicContact SD-CG 4.28Å; R7-P10 HydrophobicContact CB-CG 3.98Å; R7-P10 VanDerWaalsContact O-CD 3.23Å; R7-P10 WeakPolarHBondContact O-CD 3.29Å; R7-P10 VanDerWaalsContact O-CG 3.31Å; R7-P10 WeakPolarHBondContact O-CG 3.21Å; P10-L12 PolarHBondContact O-N 2.92Å; P10-E13 PolarHBondContact O-N 2.92Å; P10-E14 PolarHBondContact O-N 3.48Å
11W96.3Very high88.4Confident8 Ų882.9 Ų82.93%0.0342%0.417CS..Hα-helixtrans-59.6-45.7174176.188.8000112.4M6 R7 M8 R9 E13 E14 Q15 L54 N57 W58 H61 F81M6-W11 HydrophobicContact CE-CB 3.67Å; M6-W11 HydrophobicContact CE-CG 4.11Å; M6-W11 HydrophobicContact CG-CB 4.1Å; M6-W11 HydrophobicContact SD-CB 4.35Å; R7-W11 VanDerWaalsContact O-CB 3.23Å; R7-W11 WeakPolarHBondContact O-CB 3.31Å; R7-W11 PolarHBondContact O-N 3.43Å; M8-W11 WeakPolarHBondContact O-CB 3.45Å; M8-W11 PolarHBondContact O-N 3.07Å; R9-W11 VanDerWaalsContact C-N 3.29Å; R9-W11 PolarHBondContact O-N 3.26Å; W11-E13 VanDerWaalsContact C-N 3.34Å; W11-E13 PolarHBondContact O-N 2.81Å; W11-E14 PolarHBondContact O-N 2.96Å; W11-Q15 HydrophobicContact CD2-CG 4.02Å; W11-Q15 HydrophobicContact CE3-CG 4.17Å; W11-Q15 HydrophobicContact CH2-CG 3.77Å; W11-Q15 HydrophobicContact CZ2-CG 3.6Å; W11-Q15 HydrophobicContact CZ3-CG 4.02Å; W11-Q15 WeakPolarHBondContact O-CG 3.39Å; W11-Q15 PolarHBondContact O-N 2.83Å; W11-L54 HydrophobicContact CH2-CD1 3.7Å; W11-L54 HydrophobicContact CZ3-CD1 4Å; W11-N57 HydrophobicContact CH2-CB 4.46Å; W11-N57 HydrophobicContact CZ2-CB 3.89Å; W11-W58 HydrophobicContact CB-CZ3 4.19Å; W11-W58 AromaticContact CD2-CE3 3.46Å; W11-W58 HydrophobicContact CD2-CE3 3.46Å; W11-W58 VanDerWaalsContact CD2-CE3 3.46Å; W11-W58 AromaticContact CD2-CZ3 3.74Å; W11-W58 HydrophobicContact CD2-CZ3 3.74Å; W11-W58 AromaticContact CE2-CE3 3.77Å; W11-W58 HydrophobicContact CE3-CD2 4.33Å; W11-W58 AromaticContact CE3-CE3 3.4Å; W11-W58 HydrophobicContact CE3-CE3 3.4Å; W11-W58 AromaticContact CE3-CZ3 3.83Å; W11-W58 HydrophobicContact CE3-CZ3 3.83Å; W11-W58 HydrophobicContact CG-CE3 4.09Å; W11-W58 AromaticContact CG-CZ3 3.9Å; W11-W58 HydrophobicContact CG-CZ3 3.9Å; W11-W58 HydrophobicContact CH2-CB 3.54Å; W11-W58 HydrophobicContact CH2-CD2 4.44Å; W11-W58 AromaticContact CH2-CE3 3.99Å; W11-W58 HydrophobicContact CH2-CE3 3.99Å; W11-W58 HydrophobicContact CH2-CG 4.33Å; W11-W58 HydrophobicContact CZ2-CB 3.97Å; W11-W58 HydrophobicContact CZ2-CE3 4.03Å; W11-W58 HydrophobicContact CZ3-CB 4.08Å; W11-W58 HydrophobicContact CZ3-CD2 4.25Å; W11-W58 AromaticContact CZ3-CE3 3.7Å; W11-W58 HydrophobicContact CZ3-CE3 3.7Å; W11-W58 HydrophobicContact CZ3-CG 4.44Å; W11-H61 AromaticContact CD1-CD2 3.26Å; W11-H61 AromaticContact CD1-CE1 3.94Å; W11-H61 AromaticContact CD1-CG 3.42Å; W11-H61 VanDerWaalsContact CD1-CG 3.42Å; W11-H61 AromaticContact CD1-ND1 3.81Å; W11-H61 AromaticContact CD1-NE2 3.62Å; W11-H61 AromaticContact NE1-CD2 3.51Å; W11-H61 AromaticContact NE1-CG 3.39Å; W11-F81 AromaticContact CZ3-CE2 3.98Å; W11-F81 HydrophobicContact CZ3-CE2 3.98Å
12L96.6Very high90.9Very high0 Ų076.2 Ų76.20%039%0.39CS..Hα-helixtrans-67.9-37.7-179.9-176.361.8000111.1M8 R9 P10 E14 Q15 I16 F34 L54 F81 M85 I91 M111M8-L12 HydrophobicContact CE-CD2 4.1Å; M8-L12 WeakPolarHBondContact O-CB 3.47Å; M8-L12 PolarHBondContact O-N 3.3Å; M8-L12 HydrophobicContact SD-CB 3.74Å; M8-L12 HydrophobicContact SD-CD2 3.87Å; M8-L12 HydrophobicContact SD-CG 4.42Å; R9-L12 PolarHBondContact O-N 3.29Å; P10-L12 PolarHBondContact O-N 2.92Å; L12-E14 VanDerWaalsContact C-N 3.32Å; L12-E14 PolarHBondContact O-N 3.49Å; L12-Q15 PolarHBondContact O-N 3.05Å; L12-I16 HydrophobicContact CD1-CD1 4.47Å; L12-I16 HydrophobicContact CG-CD1 4.01Å; L12-I16 WeakPolarHBondContact O-CD1 3.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.37Å; L12-I16 PolarHBondContact O-N 2.94Å; L12-F34 HydrophobicContact CD2-CE2 3.75Å; L12-F34 HydrophobicContact CD2-CZ 3.71Å; L12-F34 HydrophobicContact CG-CE2 4.31Å; L12-L54 HydrophobicContact CD1-CD1 4.19Å; L12-F81 HydrophobicContact CD1-CE2 4.32Å; L12-F81 HydrophobicContact CD1-CZ 4.08Å; L12-M85 HydrophobicContact CD2-CE 4.3Å; L12-M85 HydrophobicContact CD2-SD 3.5Å; L12-M85 WeakPolarHBondContact CD2-SD 3.44Å; L12-I91 HydrophobicContact CD2-CD1 4.31Å; L12-M111 HydrophobicContact CD2-CE 4.39Å; L12-M111 HydrophobicContact CG-CE 4.39Å
13E95.4Very high92.5Very high50 Ų5071.6 Ų71.623%0.23437%0.367CS..Hα-helixtrans-59.1-43.1174-178.7157.2-162.800111.4R9 P10 W11 I16 N17 W26 K32 M111R9-E13 PolarHBondContact O-N 3.39Å; P10-E13 PolarHBondContact O-N 2.92Å; W11-E13 VanDerWaalsContact C-N 3.34Å; W11-E13 PolarHBondContact O-N 2.81Å; E13-I16 PolarHBondContact O-N 3.19Å; E13-N17 WeakPolarHBondContact O-CB 3.42Å; E13-N17 PolarHBondContact O-N 3.21Å; E13-N17 PolarHBondContact O-ND2 3.15Å; E13-W26 HydrophobicContact CG-CZ2 4.14Å; E13-K32 IonicContact OE1-NZ 2.75Å; E13-K32 PolarHBondContact OE1-NZ 2.8Å; E13-K32 IonicContact OE2-NZ 2.94Å; E13-K32 PolarHBondContact OE2-NZ 2.87Å; E13-K32 VanDerWaalsContact OE2-NZ 3.15Å; E13-M111 HydrophobicContact CB-CE 4.23Å
14E96.3Very high94Very high108 Ų10865.8 Ų65.851%0.50533%0.331SS..Hα-helixtrans-63.1-45.1174-168.9-176.3161.300112.2M6 P10 W11 L12 I16 N17 S18M6-E14 WeakPolarHBondContact CE-OE2 3.29Å; P10-E14 PolarHBondContact O-N 3.48Å; W11-E14 PolarHBondContact O-N 2.96Å; L12-E14 VanDerWaalsContact C-N 3.32Å; L12-E14 PolarHBondContact O-N 3.49Å; E14-I16 VanDerWaalsContact C-N 3.28Å; E14-I16 PolarHBondContact O-N 3.37Å; E14-N17 PolarHBondContact O-N 3.13Å; E14-N17 VanDerWaalsContact O-N 3.15Å; E14-S18 PolarHBondContact O-N 2.99Å
15Q96.9Very high94.7Very high25 Ų2561.5 Ų61.512%0.11731%0.31CS..Hα-helixtrans-63.2-32.3178.2-65.6-57-72.800113W11 L12 S18 L24 L54 N57W11-Q15 HydrophobicContact CD2-CG 4.02Å; W11-Q15 HydrophobicContact CE3-CG 4.17Å; W11-Q15 HydrophobicContact CH2-CG 3.77Å; W11-Q15 HydrophobicContact CZ2-CG 3.6Å; W11-Q15 HydrophobicContact CZ3-CG 4.02Å; W11-Q15 WeakPolarHBondContact O-CG 3.39Å; W11-Q15 PolarHBondContact O-N 2.83Å; L12-Q15 PolarHBondContact O-N 3.05Å; Q15-S18 PolarHBondContact O-OG 3.18Å; Q15-L24 HydrophobicContact CB-CD2 4.1Å; Q15-L54 HydrophobicContact CB-CD1 4.22Å; Q15-L54 HydrophobicContact CG-CD1 4.39Å; Q15-N57 PolarHBondContact OE1-ND2 3.1Å
16I97Very high95.2Very high0 Ų055.4 Ų55.40%029%0.287CS..Hα-helixtrans-75.2-39.1175-57.7155.1000110.1L12 E13 E14 S18 N19 L24 W26 F34 M111L12-I16 HydrophobicContact CD1-CD1 4.47Å; L12-I16 HydrophobicContact CG-CD1 4.01Å; L12-I16 WeakPolarHBondContact O-CD1 3.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.37Å; L12-I16 PolarHBondContact O-N 2.94Å; E13-I16 PolarHBondContact O-N 3.19Å; E14-I16 VanDerWaalsContact C-N 3.28Å; E14-I16 PolarHBondContact O-N 3.37Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 3.36Å; I16-N19 PolarHBondContact O-N 3.49Å; I16-N19 PolarHBondContact O-OD1 2.88Å; I16-L24 HydrophobicContact CG1-CD1 3.77Å; I16-L24 HydrophobicContact CG1-CD2 4.22Å; I16-L24 HydrophobicContact CG1-CG 3.91Å; I16-W26 HydrophobicContact CB-CZ2 4.12Å; I16-W26 HydrophobicContact CD1-CH2 4.05Å; I16-W26 HydrophobicContact CD1-CZ2 4.07Å; I16-W26 HydrophobicContact CG2-CD2 3.76Å; I16-W26 VanDerWaalsContact CG2-CE2 3.5Å; I16-W26 HydrophobicContact CG2-CG 3.78Å; I16-W26 HydrophobicContact CG2-CZ2 4.08Å; I16-F34 HydrophobicContact CD1-CB 3.94Å; I16-F34 HydrophobicContact CD1-CD1 4.05Å; I16-F34 HydrophobicContact CD1-CD2 3.41Å; I16-F34 VanDerWaalsContact CD1-CD2 3.41Å; I16-F34 HydrophobicContact CD1-CE1 4.42Å; I16-F34 HydrophobicContact CD1-CE2 3.79Å; I16-F34 HydrophobicContact CD1-CG 3.53Å; I16-F34 HydrophobicContact CD1-CZ 4.28Å; I16-F34 HydrophobicContact CG1-CD2 4.21Å; I16-F34 HydrophobicContact CG2-CB 4.38Å; I16-M111 HydrophobicContact CD1-CE 4.01Å
17N96.3Very high95.4Very high69 Ų6956.2 Ų56.237%0.36929%0.292SS..Hα-helixtrans-68.6-31.1179.5-73.1-32.6000113E13 E14 N19 W26E13-N17 WeakPolarHBondContact O-CB 3.42Å; E13-N17 PolarHBondContact O-N 3.21Å; E13-N17 PolarHBondContact O-ND2 3.15Å; E14-N17 PolarHBondContact O-N 3.13Å; E14-N17 VanDerWaalsContact O-N 3.15Å; N17-N19 PolarHBondContact O-N 2.83Å; N17-N19 PolarHBondContact O-ND2 3.21Å; N17-N19 VanDerWaalsContact O-ND2 3.13Å; N17-W26 PolarHBondContact OD1-NE1 2.8Å
18S95.1Very high95.5Very high54 Ų5448.8 Ų48.838%0.37827%0.268SS..THydrogen-bonded Turntrans-69-21.4178.2710000112.9E14 Q15 I16 T20E14-S18 PolarHBondContact O-N 2.99Å; Q15-S18 PolarHBondContact O-OG 3.18Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 3.36Å; S18-T20 PolarHBondContact O-N 3.06Å; S18-T20 PolarHBondContact OG-OG1 3.44Å
19N93.5Very high95.4Very high105 Ų10555.2 Ų55.256%0.56130%0.295SS*.  trans49.625.3-177.8-61-67000114I16 N17I16-N19 PolarHBondContact O-N 3.49Å; I16-N19 PolarHBondContact O-OD1 2.88Å; N17-N19 PolarHBondContact O-N 2.83Å; N17-N19 PolarHBondContact O-ND2 3.21Å; N17-N19 VanDerWaalsContact O-ND2 3.13Å
20T93.1Very high95.3Very high97 Ų9762.5 Ų62.560%0.59533%0.33SS*.  trans-78-26.5-178.453.30000112.5S18S18-T20 PolarHBondContact O-N 3.06Å; S18-T20 PolarHBondContact OG-OG1 3.44Å
21I94.8Very high95.2Very high11 Ų1166.3 Ų66.36%0.05634%0.341CS..SBendtrans-96.5121-176-66.1156.2000109.4G23 L24 P53 L54I21-G23 PolarHBondContact O-N 3.45Å; I21-L24 HydrophobicContact CB-CB 3.96Å; I21-L24 HydrophobicContact CB-CD2 4.09Å; I21-L24 HydrophobicContact CD1-CD2 3.88Å; I21-L24 HydrophobicContact CG2-CB 3.87Å; I21-L24 HydrophobicContact CG2-CD2 4.45Å; I21-L24 PolarHBondContact O-N 2.86Å; I21-P53 HydrophobicContact CG1-CB 4.31Å; I21-P53 HydrophobicContact CG1-CG 4.24Å; I21-P53 HydrophobicContact CG2-CG 4.03Å; I21-L54 HydrophobicContact CD1-CB 3.84Å; I21-L54 HydrophobicContact CD1-CD1 3.81Å; I21-L54 HydrophobicContact CD1-CG 4.42Å; I21-L54 HydrophobicContact CG2-CB 4.4Å
22P93.4Very high95.1Very high89 Ų8969 Ų6958%0.57835%0.353SS*.THydrogen-bonded Turntrans-61.9128.8-177.225-33.7000111L24 P37P22-L24 VanDerWaalsContact C-N 3.26Å; P22-L24 PolarHBondContact O-N 3.14Å; P22-P37 VanDerWaalsContact O-CG 3.26Å; P22-P37 WeakPolarHBondContact O-CG 3.41Å
23G93.5Very high95.2Very high34 Ų3469.8 Ų69.835%0.35136%0.357SS..THydrogen-bonded Turntrans80.8-8178.200000115.6I21 K25 Q35 P37I21-G23 PolarHBondContact O-N 3.45Å; G23-K25 PolarHBondContact O-N 2.79Å; G23-Q35 PolarHBondContact O-NE2 3.2Å; G23-P37 VanDerWaalsContact C-CG 3.45Å; G23-P37 WeakPolarHBondContact O-CD 3.4Å
24L96.8Very high95.3Very high2 Ų267.4 Ų67.41%0.0135%0.346CS..  trans-82.8107.1165.7179.467.6000108.6Q15 I16 I21 P22 Q35 I36 L54Q15-L24 HydrophobicContact CB-CD2 4.1Å; I16-L24 HydrophobicContact CG1-CD1 3.77Å; I16-L24 HydrophobicContact CG1-CD2 4.22Å; I16-L24 HydrophobicContact CG1-CG 3.91Å; I21-L24 HydrophobicContact CB-CB 3.96Å; I21-L24 HydrophobicContact CB-CD2 4.09Å; I21-L24 HydrophobicContact CD1-CD2 3.88Å; I21-L24 HydrophobicContact CG2-CB 3.87Å; I21-L24 HydrophobicContact CG2-CD2 4.45Å; I21-L24 PolarHBondContact O-N 2.86Å; P22-L24 VanDerWaalsContact C-N 3.26Å; P22-L24 PolarHBondContact O-N 3.14Å; L24-Q35 WeakPolarHBondContact CD1-O 3.26Å; L24-I36 HydrophobicContact CD1-CB 4.42Å; L24-I36 HydrophobicContact CD1-CG1 3.88Å; L24-I36 HydrophobicContact CD1-CG2 4.48Å; L24-L54 HydrophobicContact CD1-CD2 4.11Å; L24-L54 HydrophobicContact CD2-CD1 3.82Å; L24-L54 HydrophobicContact CD2-CD2 4.25Å
25K96.3Very high95.3Very high100 Ų10063.3 Ų63.344%0.43533%0.327SS..EExtended strand (participates in β ladder)trans-154.7157.1-174.461.4-179.3178.3179.60113G23 L27 F34 Q35G23-K25 PolarHBondContact O-N 2.79Å; K25-L27 PolarHBondContact O-N 2.87Å; K25-F34 VanDerWaalsContact O-CA 3.29Å; K25-F34 WeakPolarHBondContact O-CA 3.47Å; K25-F34 WeakPolarHBondContact O-CB 3.31Å; K25-Q35 VanDerWaalsContact CE-CD 3.48Å; K25-Q35 VanDerWaalsContact CE-OE1 3.28Å; K25-Q35 HydrophobicContact CG-CG 3.66Å; K25-Q35 PolarHBondContact N-O 2.86Å; K25-Q35 PolarHBondContact O-N 2.91Å
26W97.3Very high95.3Very high40 Ų4062.2 Ų62.215%0.15232%0.322CS..EExtended strand (participates in β ladder)trans-67.6126.9165.8-65109.1000110.1E13 I16 N17 K29 K32 F34 M111E13-W26 HydrophobicContact CG-CZ2 4.14Å; I16-W26 HydrophobicContact CB-CZ2 4.12Å; I16-W26 HydrophobicContact CD1-CH2 4.05Å; I16-W26 HydrophobicContact CD1-CZ2 4.07Å; I16-W26 HydrophobicContact CG2-CD2 3.76Å; I16-W26 VanDerWaalsContact CG2-CE2 3.5Å; I16-W26 HydrophobicContact CG2-CG 3.78Å; I16-W26 HydrophobicContact CG2-CZ2 4.08Å; N17-W26 PolarHBondContact OD1-NE1 2.8Å; W26-K29 HydrophobicContact CB-CB 4.35Å; W26-K29 HydrophobicContact CD2-CG 4.46Å; W26-K29 HydrophobicContact CG-CB 4.31Å; W26-K29 HydrophobicContact CG-CG 4.32Å; W26-K32 HydrophobicContact CH2-CB 4.34Å; W26-K32 VanDerWaalsContact CZ3-C 3.5Å; W26-K32 VanDerWaalsContact CZ3-CA 3.48Å; W26-K32 HydrophobicContact CZ3-CB 3.87Å; W26-K32 HydrophobicContact CZ3-CG 4.49Å; W26-F34 HydrophobicContact CD2-CB 4.38Å; W26-F34 HydrophobicContact CE3-CB 3.74Å; W26-F34 HydrophobicContact CE3-CD1 4.42Å; W26-F34 HydrophobicContact CE3-CG 4.49Å; W26-F34 HydrophobicContact CH2-CD1 4.39Å; W26-F34 HydrophobicContact CZ3-CB 3.95Å; W26-F34 AromaticContact CZ3-CD1 3.77Å; W26-F34 HydrophobicContact CZ3-CD1 3.77Å; W26-F34 HydrophobicContact CZ3-CG 4.2Å; W26-M111 HydrophobicContact CH2-CE 4.02Å; W26-M111 HydrophobicContact CH2-SD 4.17Å
27L95.7Very high95.3Very high82 Ų8263.6 Ų63.643%0.42933%0.331SS..EExtended strand (participates in β ladder)trans-85.1-36.3164.5-68.7-178.4000110.6K25 I33 Q35 V108K25-L27 PolarHBondContact O-N 2.87Å; L27-I33 HydrophobicContact CB-CG2 4.16Å; L27-I33 HydrophobicContact CD1-CG2 4.34Å; L27-I33 PolarHBondContact N-O 2.79Å; L27-Q35 HydrophobicContact CD1-CB 4.21Å; L27-Q35 HydrophobicContact CD2-CG 4.13Å; L27-Q35 HydrophobicContact CG-CB 4.25Å; L27-Q35 HydrophobicContact CG-CG 4.16Å; L27-V108 HydrophobicContact CD1-CB 4.48Å; L27-V108 HydrophobicContact CD1-CG1 3.81Å; L27-V108 HydrophobicContact CD1-CG2 3.81Å
28N95.4Very high95.2Very high52 Ų5261.8 Ų61.828%0.27832%0.319SS..EExtended strand (participates in β ladder)trans-148.4110172.1-176.8-43.5000108.3E30 K31 K32 I33N28-E30 WeakPolarHBondContact OD1-CB 3.42Å; N28-E30 PolarHBondContact OD1-N 3.31Å; N28-K31 HydrophobicContact CB-CB 4.39Å; N28-K31 PolarHBondContact OD1-N 3.14Å; N28-K32 PolarHBondContact O-N 3.42Å; N28-I33 HydrophobicContact CB-CB 4.21Å; N28-I33 HydrophobicContact CB-CD1 4.47Å; N28-I33 PolarHBondContact N-O 3.07Å; N28-I33 PolarHBondContact O-N 2.94Å
29K94.1Very high95.2Very high149 Ų14959.8 Ų59.865%0.64830%0.304SS*.THydrogen-bonded Turntrans-69.7-36-176.7-167.2175.4-177.3-179.70112.3W26 K32W26-K29 HydrophobicContact CB-CB 4.35Å; W26-K29 HydrophobicContact CD2-CG 4.46Å; W26-K29 HydrophobicContact CG-CB 4.31Å; W26-K29 HydrophobicContact CG-CG 4.32Å; K29-K32 PolarHBondContact O-N 2.81Å
30E92.8Very high95.2Very high179 Ų17960.4 Ų60.484%0.83630%0.303SS*.THydrogen-bonded Turntrans-65.1-45.7-179.9-58.8174.4176.700111.6N28 K32N28-E30 WeakPolarHBondContact OD1-CB 3.42Å; N28-E30 PolarHBondContact OD1-N 3.31Å; E30-K32 PolarHBondContact O-N 3.32Å
31K92.4Very high95.2Very high139 Ų13958.2 Ų58.260%0.60430%0.295SS*.THydrogen-bonded Turntrans-84.45.8177.6-62.3-173.7177.8-177.80113.1N28 I33N28-K31 HydrophobicContact CB-CB 4.39Å; N28-K31 PolarHBondContact OD1-N 3.14Å; K31-I33 HydrophobicContact CB-CD1 3.84Å; K31-I33 HydrophobicContact CB-CG1 3.83Å; K31-I33 HydrophobicContact CD-CD1 4.36Å; K31-I33 PolarHBondContact O-N 3.21Å
32K95.4Very high95.1Very high63 Ų6361.9 Ų61.927%0.27433%0.326SS..THydrogen-bonded Turntrans43.745.7-171.9-59.7-161.3177.2-148.60113.3E13 W26 N28 K29 E30 M111E13-K32 IonicContact OE1-NZ 2.75Å; E13-K32 PolarHBondContact OE1-NZ 2.8Å; E13-K32 IonicContact OE2-NZ 2.94Å; E13-K32 PolarHBondContact OE2-NZ 2.87Å; E13-K32 VanDerWaalsContact OE2-NZ 3.15Å; W26-K32 HydrophobicContact CH2-CB 4.34Å; W26-K32 VanDerWaalsContact CZ3-C 3.5Å; W26-K32 VanDerWaalsContact CZ3-CA 3.48Å; W26-K32 HydrophobicContact CZ3-CB 3.87Å; W26-K32 HydrophobicContact CZ3-CG 4.49Å; N28-K32 PolarHBondContact O-N 3.42Å; K29-K32 PolarHBondContact O-N 2.81Å; E30-K32 PolarHBondContact O-N 3.32Å; K32-M111 HydrophobicContact CB-CB 3.78Å; K32-M111 HydrophobicContact CB-CG 4.22Å; K32-M111 HydrophobicContact CD-CB 4.07Å; K32-M111 HydrophobicContact CD-SD 4.32Å; K32-M111 PolarHBondContact O-N 2.85Å
33I96.8Very high95Very high17 Ų1762.7 Ų62.79%0.08732%0.318CS..EExtended strand (participates in β ladder)trans-97.5127.2174.7-55.5175000108.5L27 N28 K31 V108 Y109 R110L27-I33 HydrophobicContact CB-CG2 4.16Å; L27-I33 HydrophobicContact CD1-CG2 4.34Å; L27-I33 PolarHBondContact N-O 2.79Å; N28-I33 HydrophobicContact CB-CB 4.21Å; N28-I33 HydrophobicContact CB-CD1 4.47Å; N28-I33 PolarHBondContact N-O 3.07Å; N28-I33 PolarHBondContact O-N 2.94Å; K31-I33 HydrophobicContact CB-CD1 3.84Å; K31-I33 HydrophobicContact CB-CG1 3.83Å; K31-I33 HydrophobicContact CD-CD1 4.36Å; K31-I33 PolarHBondContact O-N 3.21Å; I33-V108 HydrophobicContact CG2-CG1 3.62Å; I33-Y109 WeakPolarHBondContact CA-O 3.25Å; I33-R110 HydrophobicContact CG1-CB 4.22Å; I33-R110 HydrophobicContact CG1-CG 3.96Å
34F97.6Very high95Very high0 Ų069.8 Ų69.80%034%0.342CS..EExtended strand (participates in β ladder)trans-139.4161.1-177.262.7-79.8000110.8L12 I16 K25 W26 I36 M85 I91 V108 Y109 M111L12-F34 HydrophobicContact CD2-CE2 3.75Å; L12-F34 HydrophobicContact CD2-CZ 3.71Å; L12-F34 HydrophobicContact CG-CE2 4.31Å; I16-F34 HydrophobicContact CD1-CB 3.94Å; I16-F34 HydrophobicContact CD1-CD1 4.05Å; I16-F34 HydrophobicContact CD1-CD2 3.41Å; I16-F34 VanDerWaalsContact CD1-CD2 3.41Å; I16-F34 HydrophobicContact CD1-CE1 4.42Å; I16-F34 HydrophobicContact CD1-CE2 3.79Å; I16-F34 HydrophobicContact CD1-CG 3.53Å; I16-F34 HydrophobicContact CD1-CZ 4.28Å; I16-F34 HydrophobicContact CG1-CD2 4.21Å; I16-F34 HydrophobicContact CG2-CB 4.38Å; K25-F34 VanDerWaalsContact O-CA 3.29Å; K25-F34 WeakPolarHBondContact O-CA 3.47Å; K25-F34 WeakPolarHBondContact O-CB 3.31Å; W26-F34 HydrophobicContact CD2-CB 4.38Å; W26-F34 HydrophobicContact CE3-CB 3.74Å; W26-F34 HydrophobicContact CE3-CD1 4.42Å; W26-F34 HydrophobicContact CE3-CG 4.49Å; W26-F34 HydrophobicContact CH2-CD1 4.39Å; W26-F34 HydrophobicContact CZ3-CB 3.95Å; W26-F34 AromaticContact CZ3-CD1 3.77Å; W26-F34 HydrophobicContact CZ3-CD1 3.77Å; W26-F34 HydrophobicContact CZ3-CG 4.2Å; F34-I36 HydrophobicContact CD2-CG1 4Å; F34-I36 HydrophobicContact CE2-CD1 3.87Å; F34-I36 HydrophobicContact CE2-CG1 3.86Å; F34-M85 HydrophobicContact CZ-CE 4.34Å; F34-I91 HydrophobicContact CZ-CG2 4.3Å; F34-V108 WeakPolarHBondContact O-CA 3.17Å; F34-Y109 HydrophobicContact CE2-CD2 4.3Å; F34-Y109 HydrophobicContact CE2-CG 4.38Å; F34-Y109 HydrophobicContact CZ-CG 4.23Å; F34-Y109 PolarHBondContact N-O 3.18Å; F34-Y109 PolarHBondContact O-N 2.94Å; F34-M111 HydrophobicContact CD1-CE 4.2Å; F34-M111 HydrophobicContact CD1-CG 4.24Å; F34-M111 HydrophobicContact CE1-CE 3.63Å; F34-M111 HydrophobicContact CE1-CG 3.56Å; F34-M111 HydrophobicContact CE1-SD 4.44Å; F34-M111 HydrophobicContact CZ-CE 3.91Å; F34-M111 HydrophobicContact CZ-CG 4.45Å
35Q97.4Very high94.6Very high23 Ų2372.4 Ų72.411%0.10737%0.369CS..EExtended strand (participates in β ladder)trans-115.9147.817557.7164.584.300111G23 L24 K25 L27 F106 R107 V108G23-Q35 PolarHBondContact O-NE2 3.2Å; L24-Q35 WeakPolarHBondContact CD1-O 3.26Å; K25-Q35 VanDerWaalsContact CE-CD 3.48Å; K25-Q35 VanDerWaalsContact CE-OE1 3.28Å; K25-Q35 HydrophobicContact CG-CG 3.66Å; K25-Q35 PolarHBondContact N-O 2.86Å; K25-Q35 PolarHBondContact O-N 2.91Å; L27-Q35 HydrophobicContact CD1-CB 4.21Å; L27-Q35 HydrophobicContact CD2-CG 4.13Å; L27-Q35 HydrophobicContact CG-CB 4.25Å; L27-Q35 HydrophobicContact CG-CG 4.16Å; Q35-F106 HydrophobicContact CB-CD2 4.18Å; Q35-R107 CarbonylContact C-O 3.41Å; Q35-R107 VanDerWaalsContact CA-O 3.3Å; Q35-R107 WeakPolarHBondContact CA-O 3.02Å; Q35-V108 HydrophobicContact CB-CG2 4.35Å
36I97.4Very high94.5Very high1 Ų170.4 Ų70.41%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-122.9125.7173.8-52.1-179.4000108.7L24 F34 W38 L54 F81 M85 F106 R107 Y109L24-I36 HydrophobicContact CD1-CB 4.42Å; L24-I36 HydrophobicContact CD1-CG1 3.88Å; L24-I36 HydrophobicContact CD1-CG2 4.48Å; F34-I36 HydrophobicContact CD2-CG1 4Å; F34-I36 HydrophobicContact CE2-CD1 3.87Å; F34-I36 HydrophobicContact CE2-CG1 3.86Å; I36-W38 HydrophobicContact CB-CE3 4.06Å; I36-W38 HydrophobicContact CB-CZ3 4.18Å; I36-W38 HydrophobicContact CD1-CZ3 4.13Å; I36-W38 HydrophobicContact CG2-CE3 3.75Å; I36-W38 HydrophobicContact CG2-CZ3 3.81Å; I36-W38 PolarHBondContact O-N 3.33Å; I36-L54 HydrophobicContact CD1-CD2 4.41Å; I36-L54 HydrophobicContact CG2-CD2 3.47Å; I36-L54 VanDerWaalsContact CG2-CD2 3.47Å; I36-F81 HydrophobicContact CD1-CE1 3.87Å; I36-F81 HydrophobicContact CD1-CZ 3.93Å; I36-M85 HydrophobicContact CD1-CE 4.33Å; I36-M85 HydrophobicContact CD1-SD 4.28Å; I36-F106 CarbonylContact O-C 3.53Å; I36-F106 VanDerWaalsContact O-CA 3.25Å; I36-F106 WeakPolarHBondContact O-CA 3.45Å; I36-F106 WeakPolarHBondContact O-CB 3.38Å; I36-R107 PolarHBondContact N-O 2.99Å; I36-R107 PolarHBondContact O-N 3.38Å; I36-Y109 HydrophobicContact CD1-CD2 3.76Å; I36-Y109 HydrophobicContact CD1-CE2 3.8Å; I36-Y109 HydrophobicContact CG1-CD2 4.02Å; I36-Y109 HydrophobicContact CG1-CE2 4.27Å
37P95.6Very high94.4Very high30 Ų3071.3 Ų71.320%0.19537%0.367CS..EExtended strand (participates in β ladder)trans-56.5132.8169.8-21.332.3000111P22 G23P22-P37 VanDerWaalsContact O-CG 3.26Å; P22-P37 WeakPolarHBondContact O-CG 3.41Å; G23-P37 VanDerWaalsContact C-CG 3.45Å; G23-P37 WeakPolarHBondContact O-CD 3.4Å
38W95.8Very high94.2Very high30 Ų3069.4 Ų69.411%0.11436%0.358CS..  trans-135.333.2-172.1-142.6-85.3000113.6I36 F55 K78 F81 R82 A105 R107 Y109I36-W38 HydrophobicContact CB-CE3 4.06Å; I36-W38 HydrophobicContact CB-CZ3 4.18Å; I36-W38 HydrophobicContact CD1-CZ3 4.13Å; I36-W38 HydrophobicContact CG2-CE3 3.75Å; I36-W38 HydrophobicContact CG2-CZ3 3.81Å; I36-W38 PolarHBondContact O-N 3.33Å; W38-F55 HydrophobicContact CE3-CZ 4.22Å; W38-F55 HydrophobicContact CH2-CE1 4.16Å; W38-F55 HydrophobicContact CZ3-CE1 4.05Å; W38-F55 HydrophobicContact CZ3-CZ 4.22Å; W38-K78 VanDerWaalsContact NE1-CE 3.32Å; W38-F81 AromaticContact CH2-CD1 3.75Å; W38-F81 HydrophobicContact CH2-CD1 3.75Å; W38-F81 AromaticContact CH2-CE1 3.87Å; W38-F81 HydrophobicContact CH2-CE1 3.87Å; W38-F81 HydrophobicContact CZ3-CD1 4.15Å; W38-F81 AromaticContact CZ3-CE1 3.87Å; W38-F81 HydrophobicContact CZ3-CE1 3.87Å; W38-R82 HydrophobicContact CZ2-CB 4.24Å; W38-R82 HydrophobicContact CZ2-CG 4.45Å; W38-A105 PolarHBondContact N-O 3.29Å; W38-R107 HydrophobicContact CB-CG 4Å; W38-R107 HydrophobicContact CD2-CG 4.07Å; W38-R107 HydrophobicContact CE3-CB 4.36Å; W38-R107 HydrophobicContact CE3-CG 4.28Å; W38-R107 HydrophobicContact CG-CG 3.94Å; W38-Y109 HydrophobicContact CZ3-CE2 4.39Å
39M94.6Very high94.1Very high12 Ų1274 Ų746%0.05938%0.378CS..  trans-56.7143.6179.5-167.3156.972.700112.1R43 W46 D51 K78 N103M39-R43 HydrophobicContact CG-CB 4.42Å; M39-W46 HydrophobicContact CE-CB 3.81Å; M39-W46 HydrophobicContact CE-CG 4.14Å; M39-D51 VanDerWaalsContact CE-CG 3.47Å; M39-D51 WeakPolarHBondContact CE-OD1 3.19Å; M39-D51 WeakPolarHBondContact CE-OD2 3.45Å; M39-K78 PolarHBondContact O-NZ 3.38Å; M39-N103 PolarHBondContact SD-OD1 3.29Å
40H93.9Very high94Very high119 Ų11973.7 Ų73.755%0.55138%0.377SS*.  trans-81.5132.3-178.5-172.4-76.2000110A42 R43H40-A42 WeakPolarHBondContact ND1-CB 3.3Å; H40-A42 PolarHBondContact ND1-N 2.98Å; H40-A42 VanDerWaalsContact ND1-N 3.14Å; H40-A42 PolarHBondContact O-N 2.97Å; H40-R43 HydrophobicContact CB-CG 4.12Å; H40-R43 WeakPolarHBondContact O-CB 3.23Å; H40-R43 PolarHBondContact O-N 3.31Å
41A91.9Very high94Very high51 Ų5167 Ų6742%0.42135%0.346SS..THydrogen-bonded Turntrans-61.6-29.8-171.800000114.4R43 W46A41-R43 VanDerWaalsContact C-N 3.26Å; A41-R43 PolarHBondContact O-N 3.04Å; A41-W46 VanDerWaalsContact CA-CD2 3.45Å; A41-W46 HydrophobicContact CB-CD2 3.89Å; A41-W46 HydrophobicContact CB-CE3 4.04Å; A41-W46 HydrophobicContact CB-CG 4.5Å; A41-W46 HydrophobicContact CB-CH2 4.1Å; A41-W46 HydrophobicContact CB-CZ2 3.95Å; A41-W46 HydrophobicContact CB-CZ3 4.14Å
42A92.2Very high94.2Very high87 Ų8760.4 Ų60.472%0.71932%0.318SS*.THydrogen-bonded Turntrans-80.85.8175.600000114.6H40H40-A42 WeakPolarHBondContact ND1-CB 3.3Å; H40-A42 PolarHBondContact ND1-N 2.98Å; H40-A42 VanDerWaalsContact ND1-N 3.14Å; H40-A42 PolarHBondContact O-N 2.97Å
43R92.6Very high94.2Very high106 Ų10658.6 Ų58.640%0.431%0.313SS..SBendtrans-80.8146.5175.4-78.7-176.9177.5-77.4-5110.3M39 H40 A41 G45 W46M39-R43 HydrophobicContact CG-CB 4.42Å; H40-R43 HydrophobicContact CB-CG 4.12Å; H40-R43 WeakPolarHBondContact O-CB 3.23Å; H40-R43 PolarHBondContact O-N 3.31Å; A41-R43 VanDerWaalsContact C-N 3.26Å; A41-R43 PolarHBondContact O-N 3.04Å; R43-G45 PolarHBondContact O-N 3.47Å; R43-W46 VanDerWaalsContact O-CB 3.3Å; R43-W46 WeakPolarHBondContact O-CB 3.46Å; R43-W46 PolarHBondContact O-N 3.5Å
44H92.2Very high94.2Very high184 Ų18458 Ų5885%0.85231%0.31SS*.THydrogen-bonded Turntrans-60.4136.7170.9-175.768.1000110.5W46H44-W46 VanDerWaalsContact C-N 3.3Å
45G89.7Confident94.2Very high56 Ų5658.3 Ų58.358%0.57731%0.311SS*.THydrogen-bonded Turntrans80.83.8-17700000114.9R43R43-G45 PolarHBondContact O-N 3.47Å
46W94.2Very high94.2Very high59 Ų5961 Ų6122%0.22332%0.32CS..  trans-74.3130.9170.3-173.285.7000111.3M39 A41 R43 H44 V48 D51 A52 P74M39-W46 HydrophobicContact CE-CB 3.81Å; M39-W46 HydrophobicContact CE-CG 4.14Å; A41-W46 VanDerWaalsContact CA-CD2 3.45Å; A41-W46 HydrophobicContact CB-CD2 3.89Å; A41-W46 HydrophobicContact CB-CE3 4.04Å; A41-W46 HydrophobicContact CB-CG 4.5Å; A41-W46 HydrophobicContact CB-CH2 4.1Å; A41-W46 HydrophobicContact CB-CZ2 3.95Å; A41-W46 HydrophobicContact CB-CZ3 4.14Å; R43-W46 VanDerWaalsContact O-CB 3.3Å; R43-W46 WeakPolarHBondContact O-CB 3.46Å; R43-W46 PolarHBondContact O-N 3.5Å; H44-W46 VanDerWaalsContact C-N 3.3Å; W46-V48 HydrophobicContact CH2-CG2 3.58Å; W46-V48 HydrophobicContact CZ3-CG2 3.78Å; W46-D51 WeakPolarHBondContact CA-OD2 3.33Å; W46-D51 HydrophobicContact CG-CB 4.41Å; W46-D51 VanDerWaalsContact NE1-CB 3.25Å; W46-A52 HydrophobicContact CZ2-CB 4.25Å; W46-P74 HydrophobicContact CH2-CB 3.64Å; W46-P74 HydrophobicContact CH2-CG 3.95Å; W46-P74 HydrophobicContact CZ2-CB 4.16Å
47D94.1Very high94.1Very high59 Ų5963.5 Ų63.532%0.31633%0.333SS..  trans-135.8141.1-177.6177.332.8000111.3E49 K50 D51D47-E49 VanDerWaalsContact C-N 3.33Å; D47-E49 PolarHBondContact O-N 3.26Å; D47-K50 HydrophobicContact CB-CB 4.32Å; D47-K50 HydrophobicContact CB-CD 4.44Å; D47-K50 HydrophobicContact CB-CG 4.5Å; D47-K50 PolarHBondContact O-N 2.8Å; D47-D51 PolarHBondContact N-OD2 2.8Å; D47-D51 VanDerWaalsContact O-CB 3.23Å; D47-D51 WeakPolarHBondContact O-CB 3.35Å; D47-D51 PolarHBondContact O-N 2.93Å
48V92.8Very high94.2Very high42 Ų4263.2 Ų63.226%0.25533%0.329SS..Hα-helixtrans-61.5-42.7-179.5153.40000111.9W46 K50 A52 P74W46-V48 HydrophobicContact CH2-CG2 3.58Å; W46-V48 HydrophobicContact CZ3-CG2 3.78Å; V48-K50 VanDerWaalsContact C-N 3.35Å; V48-A52 WeakPolarHBondContact O-CA 3.44Å; V48-A52 VanDerWaalsContact O-CB 3.28Å; V48-A52 WeakPolarHBondContact O-CB 3.42Å; V48-A52 PolarHBondContact O-N 3Å; V48-A52 VanDerWaalsContact O-N 3.1Å; V48-P74 HydrophobicContact CB-CG 4.49Å; V48-P74 HydrophobicContact CG2-CB 4.13Å; V48-P74 HydrophobicContact CG2-CG 3.23Å
49E92.6Very high94.2Very high147 Ų14762 Ų6269%0.68733%0.325SS*.Hα-helixtrans-74.3-32.2-173-59.1-166.716000111.7D47D47-E49 VanDerWaalsContact C-N 3.33Å; D47-E49 PolarHBondContact O-N 3.26Å
50K92.5Very high94.3Very high144 Ų14464.8 Ų64.863%0.62634%0.339SS*.Hα-helixtrans-87.8-43.5-179.4-64.7177.5-176.9174.40113.1D47 V48 P53D47-K50 HydrophobicContact CB-CB 4.32Å; D47-K50 HydrophobicContact CB-CD 4.44Å; D47-K50 HydrophobicContact CB-CG 4.5Å; D47-K50 PolarHBondContact O-N 2.8Å; V48-K50 VanDerWaalsContact C-N 3.35Å; K50-P53 VanDerWaalsContact C-CD 3.5Å; K50-P53 VanDerWaalsContact O-CD 3.27Å; K50-P53 WeakPolarHBondContact O-CD 3.4Å
51D93.3Very high94.3Very high38 Ų3861.4 Ų61.420%0.20332%0.324CS..Hα-helixtrans-103.1-19.6-168.6-61.6-67000114.4M39 W46 D47M39-D51 VanDerWaalsContact CE-CG 3.47Å; M39-D51 WeakPolarHBondContact CE-OD1 3.19Å; M39-D51 WeakPolarHBondContact CE-OD2 3.45Å; W46-D51 WeakPolarHBondContact CA-OD2 3.33Å; W46-D51 HydrophobicContact CG-CB 4.41Å; W46-D51 VanDerWaalsContact NE1-CB 3.25Å; D47-D51 PolarHBondContact N-OD2 2.8Å; D47-D51 VanDerWaalsContact O-CB 3.23Å; D47-D51 WeakPolarHBondContact O-CB 3.35Å; D47-D51 PolarHBondContact O-N 2.93Å
52A95.5Very high94.4Very high1 Ų160.9 Ų60.91%0.00832%0.315CS..SBendtrans-1056.4177.600000117.5W46 V48 L54 F55 R56 P74W46-A52 HydrophobicContact CZ2-CB 4.25Å; V48-A52 WeakPolarHBondContact O-CA 3.44Å; V48-A52 VanDerWaalsContact O-CB 3.28Å; V48-A52 WeakPolarHBondContact O-CB 3.42Å; V48-A52 PolarHBondContact O-N 3Å; V48-A52 VanDerWaalsContact O-N 3.1Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 PolarHBondContact O-N 3.41Å; A52-F55 HydrophobicContact CB-CD2 4.3Å; A52-F55 PolarHBondContact O-N 3.03Å; A52-F55 VanDerWaalsContact O-N 3.1Å; A52-R56 WeakPolarHBondContact O-CB 3.35Å; A52-R56 PolarHBondContact O-N 2.73Å; A52-P74 HydrophobicContact CB-CB 4.17Å
53P96.1Very high94.4Very high25 Ų2558.7 Ų58.716%0.16230%0.301CS..Hα-helixtrans-63.2-36.6-173.725.4-33.3000112.4I21 K50 F55 R56 N57I21-P53 HydrophobicContact CG1-CB 4.31Å; I21-P53 HydrophobicContact CG1-CG 4.24Å; I21-P53 HydrophobicContact CG2-CG 4.03Å; K50-P53 VanDerWaalsContact C-CD 3.5Å; K50-P53 VanDerWaalsContact O-CD 3.27Å; K50-P53 WeakPolarHBondContact O-CD 3.4Å; P53-F55 PolarHBondContact O-N 3.04Å; P53-R56 PolarHBondContact O-N 3.49Å; P53-N57 WeakPolarHBondContact O-CB 3.16Å; P53-N57 PolarHBondContact O-N 3.05Å; P53-N57 PolarHBondContact O-OD1 2.85Å
54L97Very high94.5Very high5 Ų560.9 Ų60.93%0.02631%0.313CS..Hα-helixtrans-59.7-47174.3-177.859.2000112.3W11 L12 Q15 I21 L24 I36 A52 N57 W58 F81W11-L54 HydrophobicContact CH2-CD1 3.7Å; W11-L54 HydrophobicContact CZ3-CD1 4Å; L12-L54 HydrophobicContact CD1-CD1 4.19Å; Q15-L54 HydrophobicContact CB-CD1 4.22Å; Q15-L54 HydrophobicContact CG-CD1 4.39Å; I21-L54 HydrophobicContact CD1-CB 3.84Å; I21-L54 HydrophobicContact CD1-CD1 3.81Å; I21-L54 HydrophobicContact CD1-CG 4.42Å; I21-L54 HydrophobicContact CG2-CB 4.4Å; L24-L54 HydrophobicContact CD1-CD2 4.11Å; L24-L54 HydrophobicContact CD2-CD1 3.82Å; L24-L54 HydrophobicContact CD2-CD2 4.25Å; I36-L54 HydrophobicContact CD1-CD2 4.41Å; I36-L54 HydrophobicContact CG2-CD2 3.47Å; I36-L54 VanDerWaalsContact CG2-CD2 3.47Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 PolarHBondContact O-N 3.41Å; L54-N57 PolarHBondContact O-N 2.83Å; L54-W58 PolarHBondContact O-N 3.49Å; L54-W58 VanDerWaalsContact O-N 3.09Å; L54-F81 HydrophobicContact CD2-CE1 4.43Å; L54-F81 HydrophobicContact CD2-CE2 4.36Å; L54-F81 HydrophobicContact CD2-CZ 3.96Å; L54-F81 HydrophobicContact CG-CE2 4.28Å; L54-F81 HydrophobicContact CG-CZ 4.37Å
55F97.3Very high94.6Very high6 Ų652.8 Ų52.83%0.02628%0.275CS..Hα-helixtrans-70.1-39.2-177.1-50-51.7000110.9W38 A52 P53 W58 A59 W77 K78 F81W38-F55 HydrophobicContact CE3-CZ 4.22Å; W38-F55 HydrophobicContact CH2-CE1 4.16Å; W38-F55 HydrophobicContact CZ3-CE1 4.05Å; W38-F55 HydrophobicContact CZ3-CZ 4.22Å; A52-F55 HydrophobicContact CB-CD2 4.3Å; A52-F55 PolarHBondContact O-N 3.03Å; A52-F55 VanDerWaalsContact O-N 3.1Å; P53-F55 PolarHBondContact O-N 3.04Å; F55-W58 PolarHBondContact O-N 3.29Å; F55-A59 PolarHBondContact O-N 3.15Å; F55-W77 HydrophobicContact CB-CB 3.82Å; F55-K78 HydrophobicContact CD2-CB 4.07Å; F55-K78 HydrophobicContact CD2-CD 4.46Å; F55-K78 HydrophobicContact CD2-CG 4.18Å; F55-K78 HydrophobicContact CE1-CG 4.31Å; F55-K78 HydrophobicContact CE2-CB 4.4Å; F55-K78 HydrophobicContact CE2-CD 4.04Å; F55-K78 HydrophobicContact CE2-CG 4Å; F55-K78 HydrophobicContact CG-CB 4.16Å; F55-K78 HydrophobicContact CG-CG 4.45Å; F55-K78 HydrophobicContact CZ-CD 4.37Å; F55-K78 HydrophobicContact CZ-CG 4.07Å; F55-F81 HydrophobicContact CD1-CB 3.72Å; F55-F81 AromaticContact CD1-CD1 3.68Å; F55-F81 HydrophobicContact CD1-CD1 3.68Å; F55-F81 HydrophobicContact CD1-CD2 4.26Å; F55-F81 HydrophobicContact CD1-CE1 4.39Å; F55-F81 AromaticContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CE1-CB 4.35Å; F55-F81 AromaticContact CE1-CD1 3.51Å; F55-F81 HydrophobicContact CE1-CD1 3.51Å; F55-F81 AromaticContact CE1-CE1 3.98Å; F55-F81 HydrophobicContact CE1-CE1 3.98Å; F55-F81 AromaticContact CE1-CG 3.96Å; F55-F81 HydrophobicContact CE1-CG 3.96Å
56R96.3Very high94.8Very high79 Ų7955.6 Ų55.630%0.29827%0.273SS..Hα-helixtrans-59.3-50.5172.5-177.4-177.3175.2173.51.8110.9A52 P53 W58 A59 I60 Y65 S67 W77A52-R56 WeakPolarHBondContact O-CB 3.35Å; A52-R56 PolarHBondContact O-N 2.73Å; P53-R56 PolarHBondContact O-N 3.49Å; R56-W58 VanDerWaalsContact C-N 3.26Å; R56-W58 PolarHBondContact O-N 3.28Å; R56-A59 WeakPolarHBondContact O-CB 3.22Å; R56-A59 PolarHBondContact O-N 2.87Å; R56-I60 HydrophobicContact CG-CD1 3.98Å; R56-I60 HydrophobicContact CG-CG1 4.49Å; R56-I60 WeakPolarHBondContact O-CG1 3.23Å; R56-I60 PolarHBondContact O-N 2.71Å; R56-Y65 HydrophobicContact CG-CD1 4.22Å; R56-Y65 HydrophobicContact CG-CE1 4.04Å; R56-S67 PolarHBondContact NH2-OG 3.43Å; R56-W77 HydrophobicContact CB-CE3 3.74Å; R56-W77 HydrophobicContact CB-CH2 4.33Å; R56-W77 HydrophobicContact CB-CZ3 3.63Å; R56-W77 HydrophobicContact CG-CE3 4.27Å; R56-W77 HydrophobicContact CG-CH2 3.98Å; R56-W77 HydrophobicContact CG-CZ3 3.78Å
57N96.8Very high94.7Very high53 Ų5355.7 Ų55.728%0.28328%0.283SS..Hα-helixtrans-59.6-38.5-179.7-69.5-0.2000111.5W11 Q15 P53 L54 I60 H61W11-N57 HydrophobicContact CH2-CB 4.46Å; W11-N57 HydrophobicContact CZ2-CB 3.89Å; Q15-N57 PolarHBondContact OE1-ND2 3.1Å; P53-N57 WeakPolarHBondContact O-CB 3.16Å; P53-N57 PolarHBondContact O-N 3.05Å; P53-N57 PolarHBondContact O-OD1 2.85Å; L54-N57 PolarHBondContact O-N 2.83Å; N57-I60 PolarHBondContact O-N 3.03Å; N57-H61 WeakPolarHBondContact O-CB 3.27Å; N57-H61 PolarHBondContact O-N 3.43Å
58W96.7Very high94.5Very high24 Ų2456.8 Ų56.89%0.09131%0.308CS..Hα-helixtrans-65-41.5174.6-178.3-118.3000112.6M8 W11 L54 F55 R56 H61 T62 F81 A84M8-W58 HydrophobicContact CB-CH2 3.42Å; M8-W58 VanDerWaalsContact CB-CH2 3.42Å; M8-W58 HydrophobicContact CB-CZ2 3.86Å; M8-W58 HydrophobicContact CB-CZ3 4.04Å; M8-W58 HydrophobicContact CG-CE3 4.41Å; M8-W58 HydrophobicContact CG-CH2 3.58Å; M8-W58 HydrophobicContact CG-CZ2 3.73Å; M8-W58 HydrophobicContact CG-CZ3 3.94Å; W11-W58 HydrophobicContact CB-CZ3 4.19Å; W11-W58 AromaticContact CD2-CE3 3.46Å; W11-W58 HydrophobicContact CD2-CE3 3.46Å; W11-W58 VanDerWaalsContact CD2-CE3 3.46Å; W11-W58 AromaticContact CD2-CZ3 3.74Å; W11-W58 HydrophobicContact CD2-CZ3 3.74Å; W11-W58 AromaticContact CE2-CE3 3.77Å; W11-W58 HydrophobicContact CE3-CD2 4.33Å; W11-W58 AromaticContact CE3-CE3 3.4Å; W11-W58 HydrophobicContact CE3-CE3 3.4Å; W11-W58 AromaticContact CE3-CZ3 3.83Å; W11-W58 HydrophobicContact CE3-CZ3 3.83Å; W11-W58 HydrophobicContact CG-CE3 4.09Å; W11-W58 AromaticContact CG-CZ3 3.9Å; W11-W58 HydrophobicContact CG-CZ3 3.9Å; W11-W58 HydrophobicContact CH2-CB 3.54Å; W11-W58 HydrophobicContact CH2-CD2 4.44Å; W11-W58 AromaticContact CH2-CE3 3.99Å; W11-W58 HydrophobicContact CH2-CE3 3.99Å; W11-W58 HydrophobicContact CH2-CG 4.33Å; W11-W58 HydrophobicContact CZ2-CB 3.97Å; W11-W58 HydrophobicContact CZ2-CE3 4.03Å; W11-W58 HydrophobicContact CZ3-CB 4.08Å; W11-W58 HydrophobicContact CZ3-CD2 4.25Å; W11-W58 AromaticContact CZ3-CE3 3.7Å; W11-W58 HydrophobicContact CZ3-CE3 3.7Å; W11-W58 HydrophobicContact CZ3-CG 4.44Å; L54-W58 PolarHBondContact O-N 3.49Å; L54-W58 VanDerWaalsContact O-N 3.09Å; F55-W58 PolarHBondContact O-N 3.29Å; R56-W58 VanDerWaalsContact C-N 3.26Å; R56-W58 PolarHBondContact O-N 3.28Å; W58-H61 HydrophobicContact CE3-CB 4.48Å; W58-H61 AromaticContact CZ3-ND1 3.58Å; W58-H61 PolarHBondContact O-N 3.18Å; W58-T62 HydrophobicContact CD2-CG2 3.92Å; W58-T62 HydrophobicContact CE3-CG2 4.22Å; W58-T62 HydrophobicContact CH2-CG2 3.77Å; W58-T62 HydrophobicContact CZ2-CG2 3.44Å; W58-T62 VanDerWaalsContact CZ2-CG2 3.44Å; W58-T62 HydrophobicContact CZ3-CG2 4.16Å; W58-T62 WeakPolarHBondContact O-CB 3.06Å; W58-T62 WeakPolarHBondContact O-CG2 3.5Å; W58-T62 PolarHBondContact O-N 3.26Å; W58-T62 PolarHBondContact O-OG1 2.72Å; W58-F81 HydrophobicContact CB-CD2 3.95Å; W58-F81 AromaticContact CD1-CD2 3.9Å; W58-F81 AromaticContact CG-CD2 3.86Å; W58-F81 HydrophobicContact CG-CD2 3.86Å; W58-A84 HydrophobicContact CZ2-CB 4.07Å
59A96.6Very high94.6Very high4 Ų460 Ų603%0.03333%0.328CS..Hα-helixtrans-64.5-40.6177.200000111.8F55 R56 T62 G63 K64 Y65 W77F55-A59 PolarHBondContact O-N 3.15Å; R56-A59 WeakPolarHBondContact O-CB 3.22Å; R56-A59 PolarHBondContact O-N 2.87Å; A59-T62 PolarHBondContact O-OG1 2.86Å; A59-G63 PolarHBondContact O-N 2.8Å; A59-G63 VanDerWaalsContact O-N 3.17Å; A59-K64 PolarHBondContact O-N 3.46Å; A59-Y65 PolarHBondContact O-N 3.28Å; A59-W77 HydrophobicContact CB-CB 4.31Å; A59-W77 HydrophobicContact CB-CD2 4.27Å; A59-W77 HydrophobicContact CB-CG 3.74Å
60I95.4Very high94.6Very high72 Ų7256.3 Ų56.337%0.36931%0.313SS..Hα-helixtrans-62.7-50.1172.9-63.8171.9000110.1R56 N57 T62 G63 Y65R56-I60 HydrophobicContact CG-CD1 3.98Å; R56-I60 HydrophobicContact CG-CG1 4.49Å; R56-I60 WeakPolarHBondContact O-CG1 3.23Å; R56-I60 PolarHBondContact O-N 2.71Å; N57-I60 PolarHBondContact O-N 3.03Å; I60-T62 VanDerWaalsContact C-N 3.28Å; I60-T62 PolarHBondContact O-N 3.21Å; I60-G63 PolarHBondContact O-N 3.44Å; I60-Y65 WeakPolarHBondContact CA-O 3.39Å; I60-Y65 HydrophobicContact CD1-CD1 4.27Å; I60-Y65 HydrophobicContact CD1-CE1 4.42Å; I60-Y65 HydrophobicContact CG1-CD1 3.66Å; I60-Y65 HydrophobicContact CG1-CE1 4.28Å
61H94.5Very high94.7Very high48 Ų4858.7 Ų58.722%0.22232%0.323CS..Hα-helixtrans-59.8-38.5-178.3179-85.8000112.6M6 W11 N57 W58 G63M6-H61 PolarHBondContact O-CE1 2.71Å; W11-H61 AromaticContact CD1-CD2 3.26Å; W11-H61 AromaticContact CD1-CE1 3.94Å; W11-H61 AromaticContact CD1-CG 3.42Å; W11-H61 VanDerWaalsContact CD1-CG 3.42Å; W11-H61 AromaticContact CD1-ND1 3.81Å; W11-H61 AromaticContact CD1-NE2 3.62Å; W11-H61 AromaticContact NE1-CD2 3.51Å; W11-H61 AromaticContact NE1-CG 3.39Å; N57-H61 WeakPolarHBondContact O-CB 3.27Å; N57-H61 PolarHBondContact O-N 3.43Å; W58-H61 HydrophobicContact CE3-CB 4.48Å; W58-H61 AromaticContact CZ3-ND1 3.58Å; W58-H61 PolarHBondContact O-N 3.18Å; H61-G63 VanDerWaalsContact C-N 3.26Å; H61-G63 PolarHBondContact O-N 3.07Å
62T94.1Very high94.7Very high40 Ų4060.8 Ų60.825%0.24534%0.339CS..THydrogen-bonded Turntrans-80.1-5.8176.253.10000113.8W58 A59 I60 K64W58-T62 HydrophobicContact CD2-CG2 3.92Å; W58-T62 HydrophobicContact CE3-CG2 4.22Å; W58-T62 HydrophobicContact CH2-CG2 3.77Å; W58-T62 HydrophobicContact CZ2-CG2 3.44Å; W58-T62 VanDerWaalsContact CZ2-CG2 3.44Å; W58-T62 HydrophobicContact CZ3-CG2 4.16Å; W58-T62 WeakPolarHBondContact O-CB 3.06Å; W58-T62 WeakPolarHBondContact O-CG2 3.5Å; W58-T62 PolarHBondContact O-N 3.26Å; W58-T62 PolarHBondContact O-OG1 2.72Å; A59-T62 PolarHBondContact O-OG1 2.86Å; I60-T62 VanDerWaalsContact C-N 3.28Å; I60-T62 PolarHBondContact O-N 3.21Å; T62-K64 PolarHBondContact O-N 3.37Å; T62-K64 WeakPolarHBondContact OG1-CG 3.34Å
63G93.4Very high94.7Very high40 Ų4063.9 Ų63.941%0.41236%0.355SS..THydrogen-bonded Turntrans68.918.6-175.200000113.7A59 I60 H61 Y65A59-G63 PolarHBondContact O-N 2.8Å; A59-G63 VanDerWaalsContact O-N 3.17Å; I60-G63 PolarHBondContact O-N 3.44Å; H61-G63 VanDerWaalsContact C-N 3.26Å; H61-G63 PolarHBondContact O-N 3.07Å; G63-Y65 VanDerWaalsContact C-N 3.33Å
64K93.5Very high94.7Very high152 Ų15263.8 Ų63.866%0.66136%0.355SS*.SBendtrans-84.1-11.9176-63.6-59.2-176.9-173.90113.1A59 T62A59-K64 PolarHBondContact O-N 3.46Å; T62-K64 PolarHBondContact O-N 3.37Å; T62-K64 WeakPolarHBondContact OG1-CG 3.34Å
65Y95.2Very high94.6Very high15 Ų1571.9 Ų71.96%0.05939%0.39CS..  trans-143.4127.3175.9172.5-114.6000109.7R56 A59 I60 G63 S67 D70 W77R56-Y65 HydrophobicContact CG-CD1 4.22Å; R56-Y65 HydrophobicContact CG-CE1 4.04Å; A59-Y65 PolarHBondContact O-N 3.28Å; I60-Y65 WeakPolarHBondContact CA-O 3.39Å; I60-Y65 HydrophobicContact CD1-CD1 4.27Å; I60-Y65 HydrophobicContact CD1-CE1 4.42Å; I60-Y65 HydrophobicContact CG1-CD1 3.66Å; I60-Y65 HydrophobicContact CG1-CE1 4.28Å; G63-Y65 VanDerWaalsContact C-N 3.33Å; Y65-S67 WeakPolarHBondContact CE1-OG 3.42Å; Y65-D70 HydrophobicContact CD2-CB 3.61Å; Y65-D70 HydrophobicContact CE2-CB 3.86Å; Y65-D70 WeakPolarHBondContact CE2-O 3.39Å; Y65-W77 HydrophobicContact CD1-CH2 4.13Å; Y65-W77 AromaticContact CD1-CZ2 3.56Å; Y65-W77 HydrophobicContact CD1-CZ2 3.56Å; Y65-W77 HydrophobicContact CD2-CH2 4.49Å; Y65-W77 AromaticContact CD2-CZ2 3.48Å; Y65-W77 HydrophobicContact CD2-CZ2 3.48Å; Y65-W77 VanDerWaalsContact CD2-CZ2 3.48Å; Y65-W77 AromaticContact CE1-CH2 3.84Å; Y65-W77 HydrophobicContact CE1-CH2 3.84Å; Y65-W77 AromaticContact CE1-CZ2 3.65Å; Y65-W77 HydrophobicContact CE1-CZ2 3.65Å; Y65-W77 HydrophobicContact CE2-CH2 4.22Å; Y65-W77 AromaticContact CE2-CZ2 3.55Å; Y65-W77 HydrophobicContact CE2-CZ2 3.55Å; Y65-W77 AromaticContact CG-CE2 3.84Å; Y65-W77 HydrophobicContact CG-CH2 4.45Å; Y65-W77 AromaticContact CG-CZ2 3.48Å; Y65-W77 HydrophobicContact CG-CZ2 3.48Å; Y65-W77 VanDerWaalsContact CG-CZ2 3.48Å; Y65-W77 AromaticContact CG-NE1 3.83Å; Y65-W77 AromaticContact CZ-CH2 3.89Å; Y65-W77 AromaticContact CZ-CZ2 3.65Å
66Q93.3Very high94.5Very high114 Ų11474.4 Ų74.453%0.53341%0.406SS..  trans-108.5118.4171.5-64.5-175.937.900109.5G68 V69 D70Q66-G68 PolarHBondContact O-N 3.34Å; Q66-V69 HydrophobicContact CB-CB 4.06Å; Q66-V69 HydrophobicContact CB-CG2 4.34Å; Q66-V69 PolarHBondContact O-N 3.34Å; Q66-D70 PolarHBondContact N-OD2 3.12Å; Q66-D70 PolarHBondContact O-N 3.01Å
67S91.9Very high94.5Very high61 Ų6171.1 Ų71.143%0.42739%0.393SS..THydrogen-bonded Turntrans-63.3126.9178.6-67.50000110R56 Y65 V69R56-S67 PolarHBondContact NH2-OG 3.43Å; Y65-S67 WeakPolarHBondContact CE1-OG 3.42Å; S67-V69 VanDerWaalsContact C-N 3.35Å
68G90.8Very high94.5Very high82 Ų8270.5 Ų70.585%0.84539%0.388SS*.THydrogen-bonded Turntrans91-15.9179.700000115.1Q66Q66-G68 PolarHBondContact O-N 3.34Å
69V93.8Very high94.5Very high111 Ų11171.2 Ų71.267%0.67340%0.399SS*.THydrogen-bonded Turntrans-105-52176.3-178.70000110.2Q66 S67Q66-V69 HydrophobicContact CB-CB 4.06Å; Q66-V69 HydrophobicContact CB-CG2 4.34Å; Q66-V69 PolarHBondContact O-N 3.34Å; S67-V69 VanDerWaalsContact C-N 3.35Å
70D93.9Very high94.6Very high69 Ų6974.5 Ų74.537%0.36942%0.417SS..SBendtrans-88.8150.4-178.2-63.4-38.9000110.9Y65 Q66Y65-D70 HydrophobicContact CD2-CB 3.61Å; Y65-D70 HydrophobicContact CE2-CB 3.86Å; Y65-D70 WeakPolarHBondContact CE2-O 3.39Å; Q66-D70 PolarHBondContact N-OD2 3.12Å; Q66-D70 PolarHBondContact O-N 3.01Å
71K93.5Very high94.7Very high193 Ų19371.1 Ų71.184%0.83940%0.399SS*.PPolyproline II helixtrans-73.1137.1171.1-65.6-178.4-179.5-178.30109.8D73K71-D73 PolarHBondContact O-N 3.21Å
72P94.4Very high94.8Very high82 Ų8274.2 Ų74.253%0.53241%0.409SS..PPolyproline II helixtrans-66.5123.4179.426.5-33.7000111.2W77P72-W77 HydrophobicContact CB-CH2 3.51Å; P72-W77 HydrophobicContact CB-CZ2 3.99Å; P72-W77 HydrophobicContact CB-CZ3 4.45Å
73D95.1Very high94.9Very high66 Ų6675.6 Ų75.635%0.35342%0.419SS..  trans-125.384.2173.9-174.7-6.9000111.1K71 K75 T76 W77K71-D73 PolarHBondContact O-N 3.21Å; D73-K75 PolarHBondContact O-N 2.94Å; D73-K75 WeakPolarHBondContact OD1-CB 3Å; D73-K75 PolarHBondContact OD1-N 3.14Å; D73-K75 VanDerWaalsContact OD1-N 3.14Å; D73-T76 VanDerWaalsContact CG-CB 3.49Å; D73-T76 VanDerWaalsContact CG-OG1 3.25Å; D73-T76 PolarHBondContact O-N 3.18Å; D73-T76 PolarHBondContact OD1-N 3.43Å; D73-T76 VanDerWaalsContact OD1-N 3.08Å; D73-T76 VanDerWaalsContact OD2-CB 3.23Å; D73-T76 WeakPolarHBondContact OD2-CB 3.44Å; D73-T76 PolarHBondContact OD2-OG1 2.98Å; D73-W77 VanDerWaalsContact O-CD1 3.3Å; D73-W77 PolarHBondContact O-N 3.46Å
74P94.9Very high95.1Very high23 Ų2374.6 Ų74.615%0.14941%0.407CS..Hα-helixtrans-61.1-28.7-179.4-20.130.4000113.7W46 V48 A52 W77 K78W46-P74 HydrophobicContact CH2-CB 3.64Å; W46-P74 HydrophobicContact CH2-CG 3.95Å; W46-P74 HydrophobicContact CZ2-CB 4.16Å; V48-P74 HydrophobicContact CB-CG 4.49Å; V48-P74 HydrophobicContact CG2-CB 4.13Å; V48-P74 HydrophobicContact CG2-CG 3.23Å; A52-P74 HydrophobicContact CB-CB 4.17Å; P74-W77 HydrophobicContact CB-CE3 4.3Å; P74-W77 HydrophobicContact CG-CE3 4.49Å; P74-W77 HydrophobicContact CG-CZ3 4.31Å; P74-K78 VanDerWaalsContact O-CB 3.28Å; P74-K78 WeakPolarHBondContact O-CB 3.26Å; P74-K78 PolarHBondContact O-N 3.39Å
75K94.9Very high95.2Very high175 Ų17567.5 Ų67.576%0.76138%0.376SS*.Hα-helixtrans-67.5-46.8179.3-176.2-177.4178.6-1760109.6D73 A79D73-K75 PolarHBondContact O-N 2.94Å; D73-K75 WeakPolarHBondContact OD1-CB 3Å; D73-K75 PolarHBondContact OD1-N 3.14Å; D73-K75 VanDerWaalsContact OD1-N 3.14Å; K75-A79 WeakPolarHBondContact O-CB 3.23Å; K75-A79 PolarHBondContact O-N 3.04Å
76T96.4Very high95.2Very high60 Ų6071.6 Ų71.637%0.36840%0.399SS..Hα-helixtrans-64.9-43.9176.3-68.40000111.6D73 K78 A79 N80D73-T76 VanDerWaalsContact CG-CB 3.49Å; D73-T76 VanDerWaalsContact CG-OG1 3.25Å; D73-T76 PolarHBondContact O-N 3.18Å; D73-T76 PolarHBondContact OD1-N 3.43Å; D73-T76 VanDerWaalsContact OD1-N 3.08Å; D73-T76 VanDerWaalsContact OD2-CB 3.23Å; D73-T76 WeakPolarHBondContact OD2-CB 3.44Å; D73-T76 PolarHBondContact OD2-OG1 2.98Å; T76-K78 PolarHBondContact O-N 2.88Å; T76-A79 PolarHBondContact O-N 3.39Å; T76-N80 WeakPolarHBondContact O-CB 3.31Å; T76-N80 VanDerWaalsContact O-CG 3.31Å; T76-N80 PolarHBondContact O-N 3.48Å
77W96.8Very high95.2Very high10 Ų1070.3 Ų70.34%0.03840%0.403CS..Hα-helixtrans-59.7-46177.6-55.6-21.2000112.3F55 R56 A59 Y65 P72 D73 P74 A79 N80 F81F55-W77 HydrophobicContact CB-CB 3.82Å; R56-W77 HydrophobicContact CB-CE3 3.74Å; R56-W77 HydrophobicContact CB-CH2 4.33Å; R56-W77 HydrophobicContact CB-CZ3 3.63Å; R56-W77 HydrophobicContact CG-CE3 4.27Å; R56-W77 HydrophobicContact CG-CH2 3.98Å; R56-W77 HydrophobicContact CG-CZ3 3.78Å; A59-W77 HydrophobicContact CB-CB 4.31Å; A59-W77 HydrophobicContact CB-CD2 4.27Å; A59-W77 HydrophobicContact CB-CG 3.74Å; Y65-W77 HydrophobicContact CD1-CH2 4.13Å; Y65-W77 AromaticContact CD1-CZ2 3.56Å; Y65-W77 HydrophobicContact CD1-CZ2 3.56Å; Y65-W77 HydrophobicContact CD2-CH2 4.49Å; Y65-W77 AromaticContact CD2-CZ2 3.48Å; Y65-W77 HydrophobicContact CD2-CZ2 3.48Å; Y65-W77 VanDerWaalsContact CD2-CZ2 3.48Å; Y65-W77 AromaticContact CE1-CH2 3.84Å; Y65-W77 HydrophobicContact CE1-CH2 3.84Å; Y65-W77 AromaticContact CE1-CZ2 3.65Å; Y65-W77 HydrophobicContact CE1-CZ2 3.65Å; Y65-W77 HydrophobicContact CE2-CH2 4.22Å; Y65-W77 AromaticContact CE2-CZ2 3.55Å; Y65-W77 HydrophobicContact CE2-CZ2 3.55Å; Y65-W77 AromaticContact CG-CE2 3.84Å; Y65-W77 HydrophobicContact CG-CH2 4.45Å; Y65-W77 AromaticContact CG-CZ2 3.48Å; Y65-W77 HydrophobicContact CG-CZ2 3.48Å; Y65-W77 VanDerWaalsContact CG-CZ2 3.48Å; Y65-W77 AromaticContact CG-NE1 3.83Å; Y65-W77 AromaticContact CZ-CH2 3.89Å; Y65-W77 AromaticContact CZ-CZ2 3.65Å; P72-W77 HydrophobicContact CB-CH2 3.51Å; P72-W77 HydrophobicContact CB-CZ2 3.99Å; P72-W77 HydrophobicContact CB-CZ3 4.45Å; D73-W77 VanDerWaalsContact O-CD1 3.3Å; D73-W77 PolarHBondContact O-N 3.46Å; P74-W77 HydrophobicContact CB-CE3 4.3Å; P74-W77 HydrophobicContact CG-CE3 4.49Å; P74-W77 HydrophobicContact CG-CZ3 4.31Å; W77-A79 PolarHBondContact O-N 3.1Å; W77-N80 PolarHBondContact O-N 3.2Å; W77-F81 WeakPolarHBondContact O-CB 3.23Å; W77-F81 PolarHBondContact O-N 3.41Å
78K96.4Very high95.3Very high39 Ų3969.1 Ų69.117%0.1739%0.391CS..Hα-helixtrans-64.3-40.2178.5-173.4173-174.3174.60112.1W38 M39 F55 P74 T76 R82W38-K78 VanDerWaalsContact NE1-CE 3.32Å; M39-K78 PolarHBondContact O-NZ 3.38Å; F55-K78 HydrophobicContact CD2-CB 4.07Å; F55-K78 HydrophobicContact CD2-CD 4.46Å; F55-K78 HydrophobicContact CD2-CG 4.18Å; F55-K78 HydrophobicContact CE1-CG 4.31Å; F55-K78 HydrophobicContact CE2-CB 4.4Å; F55-K78 HydrophobicContact CE2-CD 4.04Å; F55-K78 HydrophobicContact CE2-CG 4Å; F55-K78 HydrophobicContact CG-CB 4.16Å; F55-K78 HydrophobicContact CG-CG 4.45Å; F55-K78 HydrophobicContact CZ-CD 4.37Å; F55-K78 HydrophobicContact CZ-CG 4.07Å; P74-K78 VanDerWaalsContact O-CB 3.28Å; P74-K78 WeakPolarHBondContact O-CB 3.26Å; P74-K78 PolarHBondContact O-N 3.39Å; T76-K78 PolarHBondContact O-N 2.88Å; K78-R82 WeakPolarHBondContact O-CB 3.25Å; K78-R82 PolarHBondContact O-N 3.43Å
79A96.5Very high95.4Very high40 Ų4069.7 Ų69.733%0.33138%0.38SS..Hα-helixtrans-63.5-47.6176.100000111.6K75 T76 W77 R82 C83K75-A79 WeakPolarHBondContact O-CB 3.23Å; K75-A79 PolarHBondContact O-N 3.04Å; T76-A79 PolarHBondContact O-N 3.39Å; W77-A79 PolarHBondContact O-N 3.1Å; A79-R82 WeakPolarHBondContact O-CB 3.14Å; A79-R82 PolarHBondContact O-N 3.45Å; A79-C83 PolarHBondContact O-N 2.93Å; A79-C83 PolarHBondContact O-SG 3.06Å; A79-C83 VanDerWaalsContact O-SG 3.33Å
80N97.4Very high95.3Very high73 Ų7365.1 Ų65.139%0.3935%0.352SS..Hα-helixtrans-62.6-43.6178.4-72.7-14000112.1T76 W77 R82 C83 A84T76-N80 WeakPolarHBondContact O-CB 3.31Å; T76-N80 VanDerWaalsContact O-CG 3.31Å; T76-N80 PolarHBondContact O-N 3.48Å; W77-N80 PolarHBondContact O-N 3.2Å; N80-R82 PolarHBondContact O-N 3.37Å; N80-C83 PolarHBondContact O-N 3.24Å; N80-A84 PolarHBondContact O-N 3.3Å
81F97.7Very high95.4Very high0 Ų062.4 Ų62.40%034%0.338CS..Hα-helixtrans-59.6-46.1175.6-178.9-92.3000111.7W11 L12 I36 W38 L54 F55 W58 W77 C83 A84 M85W11-F81 AromaticContact CZ3-CE2 3.98Å; W11-F81 HydrophobicContact CZ3-CE2 3.98Å; L12-F81 HydrophobicContact CD1-CE2 4.32Å; L12-F81 HydrophobicContact CD1-CZ 4.08Å; I36-F81 HydrophobicContact CD1-CE1 3.87Å; I36-F81 HydrophobicContact CD1-CZ 3.93Å; W38-F81 AromaticContact CH2-CD1 3.75Å; W38-F81 HydrophobicContact CH2-CD1 3.75Å; W38-F81 AromaticContact CH2-CE1 3.87Å; W38-F81 HydrophobicContact CH2-CE1 3.87Å; W38-F81 HydrophobicContact CZ3-CD1 4.15Å; W38-F81 AromaticContact CZ3-CE1 3.87Å; W38-F81 HydrophobicContact CZ3-CE1 3.87Å; L54-F81 HydrophobicContact CD2-CE1 4.43Å; L54-F81 HydrophobicContact CD2-CE2 4.36Å; L54-F81 HydrophobicContact CD2-CZ 3.96Å; L54-F81 HydrophobicContact CG-CE2 4.28Å; L54-F81 HydrophobicContact CG-CZ 4.37Å; F55-F81 HydrophobicContact CD1-CB 3.72Å; F55-F81 AromaticContact CD1-CD1 3.68Å; F55-F81 HydrophobicContact CD1-CD1 3.68Å; F55-F81 HydrophobicContact CD1-CD2 4.26Å; F55-F81 HydrophobicContact CD1-CE1 4.39Å; F55-F81 AromaticContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CD1-CG 3.6Å; F55-F81 HydrophobicContact CE1-CB 4.35Å; F55-F81 AromaticContact CE1-CD1 3.51Å; F55-F81 HydrophobicContact CE1-CD1 3.51Å; F55-F81 AromaticContact CE1-CE1 3.98Å; F55-F81 HydrophobicContact CE1-CE1 3.98Å; F55-F81 AromaticContact CE1-CG 3.96Å; F55-F81 HydrophobicContact CE1-CG 3.96Å; W58-F81 HydrophobicContact CB-CD2 3.95Å; W58-F81 AromaticContact CD1-CD2 3.9Å; W58-F81 AromaticContact CG-CD2 3.86Å; W58-F81 HydrophobicContact CG-CD2 3.86Å; W77-F81 WeakPolarHBondContact O-CB 3.23Å; W77-F81 PolarHBondContact O-N 3.41Å; F81-C83 VanDerWaalsContact C-N 3.32Å; F81-C83 PolarHBondContact O-N 3.23Å; F81-A84 PolarHBondContact O-N 3.42Å; F81-M85 HydrophobicContact CD1-CG 3.94Å; F81-M85 HydrophobicContact CE1-CG 3.44Å; F81-M85 VanDerWaalsContact CE1-CG 3.44Å; F81-M85 HydrophobicContact CE1-SD 3.89Å; F81-M85 HydrophobicContact CZ-CG 3.79Å; F81-M85 HydrophobicContact CZ-SD 3.72Å; F81-M85 WeakPolarHBondContact O-CG 3.5Å; F81-M85 PolarHBondContact O-N 2.86Å
82R96.9Very high95.5Very high113 Ų11356.4 Ų56.443%0.42631%0.313SS..Hα-helixtrans-58.7-43.6175.9-177.1-173.266118.80.6111.8W38 K78 A79 N80 A84 M85 N86W38-R82 HydrophobicContact CZ2-CB 4.24Å; W38-R82 HydrophobicContact CZ2-CG 4.45Å; K78-R82 WeakPolarHBondContact O-CB 3.25Å; K78-R82 PolarHBondContact O-N 3.43Å; A79-R82 WeakPolarHBondContact O-CB 3.14Å; A79-R82 PolarHBondContact O-N 3.45Å; N80-R82 PolarHBondContact O-N 3.37Å; R82-A84 VanDerWaalsContact C-N 3.35Å; R82-M85 PolarHBondContact O-N 3.29Å; R82-N86 WeakPolarHBondContact O-CB 3.3Å; R82-N86 PolarHBondContact O-N 3.21Å; R82-N86 PolarHBondContact O-ND2 2.69Å
83C97.1Very high95.5Very high70 Ų7054.6 Ų54.647%0.47330%0.297SS..Hα-helixtrans-62.6-42.7177-68.10000111.6A79 N80 F81 N86 S87A79-C83 PolarHBondContact O-N 2.93Å; A79-C83 PolarHBondContact O-SG 3.06Å; A79-C83 VanDerWaalsContact O-SG 3.33Å; N80-C83 PolarHBondContact O-N 3.24Å; F81-C83 VanDerWaalsContact C-N 3.32Å; F81-C83 PolarHBondContact O-N 3.23Å; C83-N86 PolarHBondContact O-N 2.91Å; C83-S87 WeakPolarHBondContact O-CB 3.28Å; C83-S87 PolarHBondContact O-N 2.97Å
84A96.1Very high95.6Very high18 Ų1852.6 Ų52.615%0.14929%0.287CS..Hα-helixtrans-60.9-48.617600000111.7M8 W58 N80 F81 R82 N86 S87M8-A84 HydrophobicContact CG-CB 4.18Å; W58-A84 HydrophobicContact CZ2-CB 4.07Å; N80-A84 PolarHBondContact O-N 3.3Å; F81-A84 PolarHBondContact O-N 3.42Å; R82-A84 VanDerWaalsContact C-N 3.35Å; A84-N86 PolarHBondContact O-N 3.05Å; A84-S87 PolarHBondContact O-N 3.09Å; A84-S87 PolarHBondContact O-OG 3.45Å
85M96.1Very high95.6Very high3 Ų358 Ų582%0.01531%0.308CS..Hα-helixtrans-54.8-49174.6-71.8-75-50.300112.1M8 L12 F34 I36 F81 R82 S87 L88 I91 Y109M8-M85 VanDerWaalsContact CE-CA 3.48Å; M8-M85 HydrophobicContact CE-CB 4.04Å; M8-M85 HydrophobicContact CE-CE 4.47Å; M8-M85 HydrophobicContact CE-CG 3.53Å; M8-M85 HydrophobicContact CE-SD 3.06Å; M8-M85 WeakPolarHBondContact CE-SD 3.28Å; M8-M85 HydrophobicContact SD-SD 4.33Å; L12-M85 HydrophobicContact CD2-CE 4.3Å; L12-M85 HydrophobicContact CD2-SD 3.5Å; L12-M85 WeakPolarHBondContact CD2-SD 3.44Å; F34-M85 HydrophobicContact CZ-CE 4.34Å; I36-M85 HydrophobicContact CD1-CE 4.33Å; I36-M85 HydrophobicContact CD1-SD 4.28Å; F81-M85 HydrophobicContact CD1-CG 3.94Å; F81-M85 HydrophobicContact CE1-CG 3.44Å; F81-M85 VanDerWaalsContact CE1-CG 3.44Å; F81-M85 HydrophobicContact CE1-SD 3.89Å; F81-M85 HydrophobicContact CZ-CG 3.79Å; F81-M85 HydrophobicContact CZ-SD 3.72Å; F81-M85 WeakPolarHBondContact O-CG 3.5Å; F81-M85 PolarHBondContact O-N 2.86Å; R82-M85 PolarHBondContact O-N 3.29Å; M85-S87 PolarHBondContact O-N 3.44Å; M85-L88 PolarHBondContact O-N 2.85Å; M85-I91 HydrophobicContact CE-CG2 3.6Å; M85-Y109 HydrophobicContact CE-CD1 3.34Å; M85-Y109 HydrophobicContact CE-CD2 3.82Å; M85-Y109 HydrophobicContact CE-CE1 3.51Å; M85-Y109 HydrophobicContact CE-CE2 3.96Å; M85-Y109 HydrophobicContact CE-CG 3.52Å
86N95.4Very high95.7Very high101 Ų10157.3 Ų57.354%0.5431%0.313SS..Hα-helixtrans-69.2-21.6-176.8-69.4-11.7000113.4R82 C83 A84 L88R82-N86 WeakPolarHBondContact O-CB 3.3Å; R82-N86 PolarHBondContact O-N 3.21Å; R82-N86 PolarHBondContact O-ND2 2.69Å; C83-N86 PolarHBondContact O-N 2.91Å; A84-N86 PolarHBondContact O-N 3.05Å; N86-L88 VanDerWaalsContact C-N 3.31Å
87S94.1Very high95.6Very high88 Ų8860.3 Ų60.362%0.61532%0.321SS*.Hα-helixtrans-79.4-15.1177.973.20000113.4C83 A84 M85 P89C83-S87 WeakPolarHBondContact O-CB 3.28Å; C83-S87 PolarHBondContact O-N 2.97Å; A84-S87 PolarHBondContact O-N 3.09Å; A84-S87 PolarHBondContact O-OG 3.45Å; M85-S87 PolarHBondContact O-N 3.44Å; S87-P89 WeakPolarHBondContact O-CD 3.43Å
88L93.4Very high95.5Very high35 Ų3560.6 Ų60.618%0.18332%0.324CS..  trans-82116.3-178.1-69.7179.5000110.4M8 R9 M85 N86 D90 I91M8-L88 HydrophobicContact CB-CD1 4.25Å; M8-L88 HydrophobicContact CE-CD1 3.29Å; M8-L88 HydrophobicContact CE-CG 4.33Å; M8-L88 HydrophobicContact CG-CD1 4.36Å; M8-L88 HydrophobicContact SD-CD1 3.73Å; R9-L88 HydrophobicContact CB-CD1 4.25Å; M85-L88 PolarHBondContact O-N 2.85Å; N86-L88 VanDerWaalsContact C-N 3.31Å; L88-D90 WeakPolarHBondContact CB-OD1 3.48Å; L88-D90 PolarHBondContact O-N 3.04Å; L88-I91 HydrophobicContact CB-CB 4.24Å; L88-I91 HydrophobicContact CB-CG1 4.22Å; L88-I91 HydrophobicContact CD1-CD1 3.45Å; L88-I91 VanDerWaalsContact CD1-CD1 3.45Å; L88-I91 HydrophobicContact CD1-CG1 3.92Å
89P92.7Very high95.5Very high94 Ų9462.9 Ų62.961%0.6134%0.338SS*.THydrogen-bonded Turntrans-72.6-10177.931.8-36.3000112.8S87S87-P89 WeakPolarHBondContact O-CD 3.43Å
90D92.1Very high95.3Very high15 Ų1567.3 Ų67.38%0.0835%0.349CS..THydrogen-bonded Turntrans-112.110.3-172.764.5-18000112.9R9 L88 M111 L112R9-D90 WeakPolarHBondContact CD-OD2 3.42Å; R9-D90 IonicContact CZ-OD2 3.69Å; R9-D90 IonicContact NE-OD2 3.69Å; R9-D90 VanDerWaalsContact NH1-CB 3.26Å; R9-D90 IonicContact NH1-OD2 2.71Å; R9-D90 PolarHBondContact NH1-OD2 3.1Å; L88-D90 WeakPolarHBondContact CB-OD1 3.48Å; L88-D90 PolarHBondContact O-N 3.04Å; D90-M111 CarbonylContact O-C 3.56Å; D90-M111 WeakPolarHBondContact O-CA 3.44Å; D90-L112 PolarHBondContact O-N 3.06Å
91I95.3Very high95.1Very high13 Ų1371.9 Ų71.97%0.06737%0.366CS..EExtended strand (participates in β ladder)trans-128.4125.8167.7-55.8-169.7000108.6M8 R9 L12 F34 M85 L88 Y109 R110 M111M8-I91 HydrophobicContact CE-CD1 4.41Å; R9-I91 HydrophobicContact CB-CD1 4.44Å; R9-I91 HydrophobicContact CG-CD1 4.41Å; L12-I91 HydrophobicContact CD2-CD1 4.31Å; F34-I91 HydrophobicContact CZ-CG2 4.3Å; M85-I91 HydrophobicContact CE-CG2 3.6Å; L88-I91 HydrophobicContact CB-CB 4.24Å; L88-I91 HydrophobicContact CB-CG1 4.22Å; L88-I91 HydrophobicContact CD1-CD1 3.45Å; L88-I91 VanDerWaalsContact CD1-CD1 3.45Å; L88-I91 HydrophobicContact CD1-CG1 3.92Å; I91-Y109 HydrophobicContact CG2-CD1 4.05Å; I91-Y109 HydrophobicContact CG2-CG 4.4Å; I91-R110 WeakPolarHBondContact CA-O 3.4Å; I91-M111 HydrophobicContact CD1-CE 4.36Å; I91-M111 HydrophobicContact CD1-CG 4.32Å; I91-M111 HydrophobicContact CG1-CG 4.26Å
92E94.8Very high94.7Very high67 Ų6773.4 Ų73.431%0.31338%0.381SS..EExtended strand (participates in β ladder)trans-116.1146176.561.7168-134.400111.8Y109 R110 L112E92-Y109 CarbonylContact O-C 3.54Å; E92-Y109 VanDerWaalsContact O-CA 3.23Å; E92-Y109 WeakPolarHBondContact O-CA 3.24Å; E92-R110 HydrophobicContact CG-CB 3.93Å; E92-R110 PolarHBondContact N-O 2.96Å; E92-R110 PolarHBondContact O-N 3.18Å; E92-R110 IonicContact OE1-CZ 3.58Å; E92-R110 IonicContact OE1-NE 3.15Å; E92-R110 PolarHBondContact OE1-NE 3.2Å; E92-R110 IonicContact OE1-NH1 3.05Å; E92-R110 PolarHBondContact OE1-NH1 3.26Å; E92-R110 IonicContact OE1-NH2 2.73Å; E92-R110 PolarHBondContact OE1-NH2 3.31Å; E92-R110 IonicContact OE2-CZ 3.21Å; E92-R110 IonicContact OE2-NH2 2.79Å; E92-R110 PolarHBondContact OE2-NH2 3.47Å; E92-L112 HydrophobicContact CG-CD2 4.28Å
93E96.4Very high94.4Very high44 Ų4472.9 Ų72.921%0.20639%0.387CS..EExtended strand (participates in β ladder)trans-84.1119.1172.3-169.1176.6131.700109.9K95 R107 Y109E93-K95 HydrophobicContact CG-CG 4.29Å; E93-K95 PolarHBondContact O-N 3.14Å; E93-K95 VanDerWaalsContact O-N 3.14Å; E93-R107 IonicContact OE1-NH1 3.64Å; E93-R107 IonicContact OE2-CZ 3.86Å; E93-R107 IonicContact OE2-NH1 2.83Å; E93-R107 PolarHBondContact OE2-NH1 3.08Å; E93-Y109 HydrophobicContact CB-CD1 3.86Å; E93-Y109 HydrophobicContact CB-CE1 3.53Å; E93-Y109 HydrophobicContact CG-CD1 4.22Å; E93-Y109 HydrophobicContact CG-CE1 3.73Å; E93-Y109 PolarHBondContact OE2-OH 3.23Å
94V96.4Very high94Very high24 Ų2476 Ų7615%0.14540%0.399CS..  trans-84.986.2173.7-172.30000108.3D96 K97 S98 V108 R110V94-D96 VanDerWaalsContact C-N 3.28Å; V94-D96 PolarHBondContact O-N 3.22Å; V94-K97 HydrophobicContact CG1-CB 4.17Å; V94-K97 HydrophobicContact CG1-CD 4.04Å; V94-K97 HydrophobicContact CG1-CG 3.92Å; V94-K97 PolarHBondContact O-N 3Å; V94-S98 PolarHBondContact O-N 3.49Å; V94-S98 PolarHBondContact O-OG 3.04Å; V94-V108 HydrophobicContact CB-CB 4.34Å; V94-V108 HydrophobicContact CB-CG1 4.06Å; V94-V108 HydrophobicContact CG2-CG1 4.44Å; V94-V108 PolarHBondContact N-O 2.93Å; V94-R110 HydrophobicContact CG2-CB 3.9Å
95K95.3Very high94Very high136 Ų13675.3 Ų75.359%0.59139%0.393SS*.G310 helixtrans-61.1-35.4-173.7-68.5177.1-176.3172.30112.9E93 K97 S98E93-K95 HydrophobicContact CG-CG 4.29Å; E93-K95 PolarHBondContact O-N 3.14Å; E93-K95 VanDerWaalsContact O-N 3.14Å; K95-K97 PolarHBondContact O-N 3.03Å; K95-S98 WeakPolarHBondContact O-CB 3.33Å; K95-S98 PolarHBondContact O-N 3.28Å; K95-S98 VanDerWaalsContact O-N 3.07Å
96D95.5Very high94Very high161 Ų16177.3 Ų77.386%0.86140%0.402SS*.G310 helixtrans-65-27.5-176.2-51.8-35.4000112.8V94V94-D96 VanDerWaalsContact C-N 3.28Å; V94-D96 PolarHBondContact O-N 3.22Å
97K94.3Very high94.1Very high122 Ų12275 Ų7553%0.5339%0.386SS..G310 helixtrans-97-4.4178.2-60-174.6-178.7-172.80112.9V94 K95 F106 V108V94-K97 HydrophobicContact CG1-CB 4.17Å; V94-K97 HydrophobicContact CG1-CD 4.04Å; V94-K97 HydrophobicContact CG1-CG 3.92Å; V94-K97 PolarHBondContact O-N 3Å; K95-K97 PolarHBondContact O-N 3.03Å; K97-F106 VanDerWaalsContact O-CE2 3.29Å; K97-F106 WeakPolarHBondContact O-CE2 3.31Å; K97-V108 HydrophobicContact CB-CB 4.03Å; K97-V108 HydrophobicContact CB-CG1 4.16Å; K97-V108 HydrophobicContact CB-CG2 3.86Å; K97-V108 VanDerWaalsContact O-CG2 3.31Å; K97-V108 WeakPolarHBondContact O-CG2 3.42Å
98S96.4Very high94.3Very high16 Ų1670.9 Ų70.911%0.11236%0.357CS..  trans-90.8132.3-173-64.10000111.8V94 K95 V108V94-S98 PolarHBondContact O-N 3.49Å; V94-S98 PolarHBondContact O-OG 3.04Å; K95-S98 WeakPolarHBondContact O-CB 3.33Å; K95-S98 PolarHBondContact O-N 3.28Å; K95-S98 VanDerWaalsContact O-N 3.07Å; S98-V108 PolarHBondContact OG-N 3.42Å
99I95.4Very high94.5Very high88 Ų8869.4 Ų69.445%0.45135%0.349SS..BIsolated β-bridgetrans-105.5106.4177.3-57.6-175.4000109.7K101 A105 F106I99-K101 WeakPolarHBondContact CG2-O 3.22Å; I99-A105 CarbonylContact O-C 3.49Å; I99-A105 VanDerWaalsContact O-CA 3.31Å; I99-A105 WeakPolarHBondContact O-CA 3.44Å; I99-F106 CarbonylContact C-O 3.52Å; I99-F106 HydrophobicContact CB-CD1 4.33Å; I99-F106 HydrophobicContact CB-CE1 4Å; I99-F106 HydrophobicContact CB-CZ 4.11Å; I99-F106 HydrophobicContact CD1-CE1 3.59Å; I99-F106 HydrophobicContact CD1-CZ 3.56Å; I99-F106 HydrophobicContact CG1-CE1 3.87Å; I99-F106 HydrophobicContact CG1-CE2 4.22Å; I99-F106 HydrophobicContact CG1-CZ 3.61Å; I99-F106 PolarHBondContact N-O 2.9Å; I99-F106 PolarHBondContact O-N 3.33Å
100K93.3Very high94.7Very high132 Ų13268.9 Ų68.957%0.57434%0.335SS*.  trans-86.8-8.6-173-61177.9-175.6173.20114.7
101K91.8Very high94.9Very high170 Ų17068.3 Ų68.374%0.73933%0.332SS*.SBendtrans-128.4158.9-172.2-63-176.7-179.4-179.70110.6I99I99-K101 WeakPolarHBondContact CG2-O 3.22Å
102G90.7Very high94.7Very high31 Ų3168.4 Ų68.432%0.3233%0.332SS..SBendtrans93.5-179.1179.400000113.9
103N89.1Confident94.4Very high103 Ų10367.7 Ų67.755%0.55133%0.333SS*.THydrogen-bonded Turntrans-70.5-42.1179.3-154.450.9000111M39 A105M39-N103 PolarHBondContact SD-OD1 3.29Å; N103-A105 PolarHBondContact O-N 3.02Å; N103-A105 VanDerWaalsContact O-N 3.14Å
104N90.3Very high93.4Very high134 Ų13471.1 Ų71.172%0.71735%0.352SS*.THydrogen-bonded Turntrans-90.440.7178.7-57.4-30.2000111.5F106N104-F106 WeakPolarHBondContact O-CD1 3.38Å; N104-F106 PolarHBondContact O-N 3.04Å
105A95.2Very high92.1Very high5 Ų575.1 Ų75.14%0.04138%0.381CS..  trans-67.2132179.400000110.2W38 I99 N103W38-A105 PolarHBondContact N-O 3.29Å; I99-A105 CarbonylContact O-C 3.49Å; I99-A105 VanDerWaalsContact O-CA 3.31Å; I99-A105 WeakPolarHBondContact O-CA 3.44Å; N103-A105 PolarHBondContact O-N 3.02Å; N103-A105 VanDerWaalsContact O-N 3.14Å
106F96.9Very high90.7Very high44 Ų4474.1 Ų74.119%0.19338%0.379CS..EExtended strand (participates in β ladder)trans-145.8156.6177.962.8-97.9000111.8Q35 I36 K97 I99 N104 V108Q35-F106 HydrophobicContact CB-CD2 4.18Å; I36-F106 CarbonylContact O-C 3.53Å; I36-F106 VanDerWaalsContact O-CA 3.25Å; I36-F106 WeakPolarHBondContact O-CA 3.45Å; I36-F106 WeakPolarHBondContact O-CB 3.38Å; K97-F106 VanDerWaalsContact O-CE2 3.29Å; K97-F106 WeakPolarHBondContact O-CE2 3.31Å; I99-F106 CarbonylContact C-O 3.52Å; I99-F106 HydrophobicContact CB-CD1 4.33Å; I99-F106 HydrophobicContact CB-CE1 4Å; I99-F106 HydrophobicContact CB-CZ 4.11Å; I99-F106 HydrophobicContact CD1-CE1 3.59Å; I99-F106 HydrophobicContact CD1-CZ 3.56Å; I99-F106 HydrophobicContact CG1-CE1 3.87Å; I99-F106 HydrophobicContact CG1-CE2 4.22Å; I99-F106 HydrophobicContact CG1-CZ 3.61Å; I99-F106 PolarHBondContact N-O 2.9Å; I99-F106 PolarHBondContact O-N 3.33Å; N104-F106 WeakPolarHBondContact O-CD1 3.38Å; N104-F106 PolarHBondContact O-N 3.04Å; F106-V108 HydrophobicContact CD2-CG2 3.81Å; F106-V108 HydrophobicContact CE2-CG2 3.67Å
107R97.4Very high89.1Confident54 Ų5473 Ų7320%0.20436%0.362CS..EExtended strand (participates in β ladder)trans-113.8137.8171.9-67.8-173.5-177.3-145.31.8110Q35 I36 W38 E93 Y109Q35-R107 CarbonylContact C-O 3.41Å; Q35-R107 VanDerWaalsContact CA-O 3.3Å; Q35-R107 WeakPolarHBondContact CA-O 3.02Å; I36-R107 PolarHBondContact N-O 2.99Å; I36-R107 PolarHBondContact O-N 3.38Å; W38-R107 HydrophobicContact CB-CG 4Å; W38-R107 HydrophobicContact CD2-CG 4.07Å; W38-R107 HydrophobicContact CE3-CB 4.36Å; W38-R107 HydrophobicContact CE3-CG 4.28Å; W38-R107 HydrophobicContact CG-CG 3.94Å; E93-R107 IonicContact OE1-NH1 3.64Å; E93-R107 IonicContact OE2-CZ 3.86Å; E93-R107 IonicContact OE2-NH1 2.83Å; E93-R107 PolarHBondContact OE2-NH1 3.08Å; R107-Y109 HydrophobicContact CB-CD2 4.23Å; R107-Y109 HydrophobicContact CB-CE2 3.49Å; R107-Y109 VanDerWaalsContact CB-CE2 3.49Å; R107-Y109 VanDerWaalsContact CD-OH 3.22Å; R107-Y109 WeakPolarHBondContact CD-OH 3.34Å
108V97.9Very high87.3Confident0 Ų071.6 Ų71.60%037%0.366CS..EExtended strand (participates in β ladder)trans-101.3131.8177.3-178.90000108.9L27 I33 F34 Q35 V94 K97 S98 F106L27-V108 HydrophobicContact CD1-CB 4.48Å; L27-V108 HydrophobicContact CD1-CG1 3.81Å; L27-V108 HydrophobicContact CD1-CG2 3.81Å; I33-V108 HydrophobicContact CG2-CG1 3.62Å; F34-V108 WeakPolarHBondContact O-CA 3.17Å; Q35-V108 HydrophobicContact CB-CG2 4.35Å; V94-V108 HydrophobicContact CB-CB 4.34Å; V94-V108 HydrophobicContact CB-CG1 4.06Å; V94-V108 HydrophobicContact CG2-CG1 4.44Å; V94-V108 PolarHBondContact N-O 2.93Å; K97-V108 HydrophobicContact CB-CB 4.03Å; K97-V108 HydrophobicContact CB-CG1 4.16Å; K97-V108 HydrophobicContact CB-CG2 3.86Å; K97-V108 VanDerWaalsContact O-CG2 3.31Å; K97-V108 WeakPolarHBondContact O-CG2 3.42Å; S98-V108 PolarHBondContact OG-N 3.42Å; F106-V108 HydrophobicContact CD2-CG2 3.81Å; F106-V108 HydrophobicContact CE2-CG2 3.67Å
109Y97.6Very high85.5Confident4 Ų476 Ų762%0.01640%0.397CS..EExtended strand (participates in β ladder)trans-125.1152.7178.1-68.2-84.6000110.3I33 F34 I36 W38 M85 I91 E92 E93 R107I33-Y109 WeakPolarHBondContact CA-O 3.25Å; F34-Y109 HydrophobicContact CE2-CD2 4.3Å; F34-Y109 HydrophobicContact CE2-CG 4.38Å; F34-Y109 HydrophobicContact CZ-CG 4.23Å; F34-Y109 PolarHBondContact N-O 3.18Å; F34-Y109 PolarHBondContact O-N 2.94Å; I36-Y109 HydrophobicContact CD1-CD2 3.76Å; I36-Y109 HydrophobicContact CD1-CE2 3.8Å; I36-Y109 HydrophobicContact CG1-CD2 4.02Å; I36-Y109 HydrophobicContact CG1-CE2 4.27Å; W38-Y109 HydrophobicContact CZ3-CE2 4.39Å; M85-Y109 HydrophobicContact CE-CD1 3.34Å; M85-Y109 HydrophobicContact CE-CD2 3.82Å; M85-Y109 HydrophobicContact CE-CE1 3.51Å; M85-Y109 HydrophobicContact CE-CE2 3.96Å; M85-Y109 HydrophobicContact CE-CG 3.52Å; I91-Y109 HydrophobicContact CG2-CD1 4.05Å; I91-Y109 HydrophobicContact CG2-CG 4.4Å; E92-Y109 CarbonylContact O-C 3.54Å; E92-Y109 VanDerWaalsContact O-CA 3.23Å; E92-Y109 WeakPolarHBondContact O-CA 3.24Å; E93-Y109 HydrophobicContact CB-CD1 3.86Å; E93-Y109 HydrophobicContact CB-CE1 3.53Å; E93-Y109 HydrophobicContact CG-CD1 4.22Å; E93-Y109 HydrophobicContact CG-CE1 3.73Å; E93-Y109 PolarHBondContact OE2-OH 3.23Å; R107-Y109 HydrophobicContact CB-CD2 4.23Å; R107-Y109 HydrophobicContact CB-CE2 3.49Å; R107-Y109 VanDerWaalsContact CB-CE2 3.49Å; R107-Y109 VanDerWaalsContact CD-OH 3.22Å; R107-Y109 WeakPolarHBondContact CD-OH 3.34Å
110R96.6Very high83.6Confident84 Ų8481.5 Ų81.532%0.31742%0.417SS..EExtended strand (participates in β ladder)trans-123.6128.1172.9-177.8177.283-149.72.6109I33 I91 E92 V94I33-R110 HydrophobicContact CG1-CB 4.22Å; I33-R110 HydrophobicContact CG1-CG 3.96Å; I91-R110 WeakPolarHBondContact CA-O 3.4Å; E92-R110 HydrophobicContact CG-CB 3.93Å; E92-R110 PolarHBondContact N-O 2.96Å; E92-R110 PolarHBondContact O-N 3.18Å; E92-R110 IonicContact OE1-CZ 3.58Å; E92-R110 IonicContact OE1-NE 3.15Å; E92-R110 PolarHBondContact OE1-NE 3.2Å; E92-R110 IonicContact OE1-NH1 3.05Å; E92-R110 PolarHBondContact OE1-NH1 3.26Å; E92-R110 IonicContact OE1-NH2 2.73Å; E92-R110 PolarHBondContact OE1-NH2 3.31Å; E92-R110 IonicContact OE2-CZ 3.21Å; E92-R110 IonicContact OE2-NH2 2.79Å; E92-R110 PolarHBondContact OE2-NH2 3.47Å; V94-R110 HydrophobicContact CG2-CB 3.9Å
111M95.4Very high81.8Confident3 Ų385.4 Ų85.42%0.01543%0.434CS..EExtended strand (participates in β ladder)trans-84.2121.4168.7-50.4-170.717700109.3R9 L12 E13 I16 W26 K32 F34 D90 I91R9-M111 HydrophobicContact CG-SD 4.25Å; L12-M111 HydrophobicContact CD2-CE 4.39Å; L12-M111 HydrophobicContact CG-CE 4.39Å; E13-M111 HydrophobicContact CB-CE 4.23Å; I16-M111 HydrophobicContact CD1-CE 4.01Å; W26-M111 HydrophobicContact CH2-CE 4.02Å; W26-M111 HydrophobicContact CH2-SD 4.17Å; K32-M111 HydrophobicContact CB-CB 3.78Å; K32-M111 HydrophobicContact CB-CG 4.22Å; K32-M111 HydrophobicContact CD-CB 4.07Å; K32-M111 HydrophobicContact CD-SD 4.32Å; K32-M111 PolarHBondContact O-N 2.85Å; F34-M111 HydrophobicContact CD1-CE 4.2Å; F34-M111 HydrophobicContact CD1-CG 4.24Å; F34-M111 HydrophobicContact CE1-CE 3.63Å; F34-M111 HydrophobicContact CE1-CG 3.56Å; F34-M111 HydrophobicContact CE1-SD 4.44Å; F34-M111 HydrophobicContact CZ-CE 3.91Å; F34-M111 HydrophobicContact CZ-CG 4.45Å; D90-M111 CarbonylContact O-C 3.56Å; D90-M111 WeakPolarHBondContact O-CA 3.44Å; I91-M111 HydrophobicContact CD1-CE 4.36Å; I91-M111 HydrophobicContact CD1-CG 4.32Å; I91-M111 HydrophobicContact CG1-CG 4.26Å
112L92.8Very high80.1Confident15 Ų1580.5 Ų80.58%0.07943%0.432CS..PPolyproline II helixtrans-73.7138.5175.6-59.3177.6000109.7R9 D90 E92R9-L112 VanDerWaalsContact CZ-O 3.32Å; R9-L112 PolarHBondContact NH1-O 3.3Å; R9-L112 PolarHBondContact NH2-O 3.19Å; D90-L112 PolarHBondContact O-N 3.06Å; E92-L112 HydrophobicContact CG-CD2 4.28Å
113P87.3Confident78.2Confident52 Ų5288.8 Ų88.834%0.33846%0.459SS..PPolyproline II helixtrans-61.2152170.525-30000109.9S115 E116P113-S115 PolarHBondContact O-N 2.86Å; P113-E116 WeakPolarHBondContact CD-OE2 3.47Å; P113-E116 HydrophobicContact CG-CB 3.86Å; P113-E116 HydrophobicContact CG-CG 3.63Å; P113-E116 VanDerWaalsContact CG-OE1 3.24Å; P113-E116 WeakPolarHBondContact CG-OE1 3.43Å; P113-E116 PolarHBondContact O-N 3.19Å
114L75.1Confident76.1Confident115 Ų11593.5 Ų93.560%0.60248%0.475SS*.G310 helixtrans-58.1-24.2-176.8-69156000112.6R117L114-R117 VanDerWaalsContact O-CD 3.25Å; L114-R117 WeakPolarHBondContact O-CD 3.36Å; L114-R117 VanDerWaalsContact O-CG 3.26Å; L114-R117 WeakPolarHBondContact O-CG 3.37Å
115S70.2Confident74Confident108 Ų10892.9 Ų92.976%0.75548%0.478SS*.G310 helixtrans-75.6-31.2176.252.20000114.1P113 R117P113-S115 PolarHBondContact O-N 2.86Å; S115-R117 VanDerWaalsContact C-N 3.26Å; S115-R117 PolarHBondContact O-N 3.17Å
116E65.5Low71.4Confident115 Ų115102.9 Ų102.954%0.53752%0.521SS..G310 helixtrans-89.612.2-177-72.6172.9-152.400112.9P113 P118P113-E116 WeakPolarHBondContact CD-OE2 3.47Å; P113-E116 HydrophobicContact CG-CB 3.86Å; P113-E116 HydrophobicContact CG-CG 3.63Å; P113-E116 VanDerWaalsContact CG-OE1 3.24Å; P113-E116 WeakPolarHBondContact CG-OE1 3.43Å; P113-E116 PolarHBondContact O-N 3.19Å; E116-P118 VanDerWaalsContact O-N 3.16Å
117R61.7Low68.8Low138 Ų138105.4 Ų105.452%0.52154%0.544SS..  trans-51.4126.6173.9-74173.5174.9-177.4-3.7108.2L114 S115 S119L114-R117 VanDerWaalsContact O-CD 3.25Å; L114-R117 WeakPolarHBondContact O-CD 3.36Å; L114-R117 VanDerWaalsContact O-CG 3.26Å; L114-R117 WeakPolarHBondContact O-CG 3.37Å; S115-R117 VanDerWaalsContact C-N 3.26Å; S115-R117 PolarHBondContact O-N 3.17Å; R117-S119 VanDerWaalsContact C-N 3.25Å; R117-S119 PolarHBondContact O-N 2.82Å
118P57.7Low66.3Low93 Ų93111 Ų11160%0.60457%0.572SS**  trans-61.797.9172.524.7-31.7000106.5E116 K120E116-P118 VanDerWaalsContact O-N 3.16Å; P118-K120 PolarHBondContact O-N 3.36Å
119S56.9Low63.4Low108 Ų108121 Ų12176%0.75562%0.616SS**  trans-59.5113.5178.645.80000105.9R117 K121R117-S119 VanDerWaalsContact C-N 3.25Å; R117-S119 PolarHBondContact O-N 2.82Å; S119-K121 PolarHBondContact O-N 2.92Å
120K55.4Low60.8Low203 Ų203128.1 Ų128.188%0.88365%0.654SS**  trans-51.9110.5165-75-174.1176.9179.60105.6P118 G122P118-K120 PolarHBondContact O-N 3.36Å; K120-G122 PolarHBondContact O-N 2.93Å
121K55.7Low58.2Low214 Ų214131.1 Ų131.193%0.9368%0.677SS**SBendtrans-46.2113.8178.6-154.6105.7176-178.30107.7S119S119-K121 PolarHBondContact O-N 2.92Å
122G56.6Low55.8Low68 Ų68139.8 Ų139.870%0.70171%0.714SS**  trans134.446.6169.800000118.2K120K120-G122 PolarHBondContact O-N 2.93Å
123K51.5Low53.1Low204 Ų204147 Ų14789%0.88775%0.745SS**  trans-144.5106.1138.7-71.4-164.3177.3176.90108.3
124K45Very low50.7Low203 Ų203153.3 Ų153.388%0.88377%0.767SS**  trans-63.3130173.5-67.4-175.7176.8-177.40108.9
125P46.3Very low48.9Very low121 Ų121156.9 Ų156.979%0.78678%0.781SS**  trans-70.3126.7153.829.2-28.7000107.8S127P125-S127 PolarHBondContact O-N 3.46Å
126K39.2Very low47.2Very low215 Ų215160.3 Ų160.394%0.93579%0.789SS**  trans-84.297.2173.6-164.3173.8-175.5175.90106.6
127S43.4Very low45.8Very low96 Ų96163.9 Ų163.967%0.67180%0.802SS**  trans-92156.6164.552.70000110.2P125P125-S127 PolarHBondContact O-N 3.46Å
128E44.1Very low44.3Very low173 Ų173166.4 Ų166.481%0.80882%0.82SS**  trans101.2105.1164.6-59.4-174.5176.700117.6
129K38.3Very low42.9Very low208 Ų208170.4 Ų170.490%0.90483%0.831SS**  -150.8104.2108.1-113.5-179.9177.5-175.50110.2
130D41.4Very low42.3Very low154 Ų154170.3 Ų170.382%0.82483%0.828SS**  trans-66.8135.8154.2-83.7-55.1000108.6
131D42.1Very low41.1Very low148 Ų148167.1 Ų167.179%0.79183%0.825SS**  trans-117.4126.7166.3-158.44.8000109
132K45.1Very low40Very low184 Ų184165.4 Ų165.480%0.882%0.82SS**  trans-115.9118.6-177.6-79.4-175.1176.9178.90109.1
133F35.9Very low38.8Very low166 Ų166167.7 Ų167.773%0.72883%0.826SS**  trans-142.5105.9155.4-88.8-89.9000109.2
134K37.2Very low38Very low186 Ų186162 Ų16281%0.80981%0.811SS**  83.112194.3-74.1-166.9-170.4-1770114.7
135Q37.4Very low37.5Very low190 Ų190162 Ų16289%0.88881%0.812SS**  trans-64.3152170.9-68.5176.7-42.900112.8
136I34.6Very low36.8Very low179 Ų179159.5 Ų159.592%0.91881%0.808SS**  trans-162.4146.7137.9-96149.1000109.4
137K36.9Very low36.9Very low190 Ų190157.8 Ų157.883%0.82681%0.807SS**  trans-105.4142.1-168.1-174.6-172.9-173.2-1750109.8
138Q29Very low36.4Very low192 Ų192161.2 Ų161.290%0.89782%0.818SS**  trans164.6139.7133-89.5177.9600114.3
139E28.4Very low35.8Very low177 Ų177156.4 Ų156.483%0.82782%0.815SS**  trans-55.6-168.5170.6-70.4-85.1143.400115.6
140P45Very low35.6Very low105 Ų105154 Ų15468%0.68281%0.811SS**  cis-129.9177.5-40.328.7-8.8000112
141V30.8Very low35.3Very low137 Ų137153.1 Ų153.183%0.8381%0.806SS**  161.4150.7125.683.60000113.4
142E31.1Very low34.9Very low177 Ų177152.9 Ų152.983%0.82781%0.805SS**  trans-70.5158-162.5-54.9166.1146.500117.4
143S32.1Very low34.4Very low117 Ų117149.4 Ų149.482%0.81880%0.799SS**  trans-172.9102.1131.748.30000108.8
144S35.2Very low34.7Very low84 Ų84148 Ų14859%0.58780%0.804SS**  66.8106.894.3-159.60000114.2
145F34Very low34.5Very low203 Ų203144.7 Ų144.789%0.8981%0.805SS**  170.7123.7101.8-87.8-72.3000108.6
146G31.6Very low34.4Very low69 Ų69142.3 Ų142.371%0.71180%0.798SS**  trans-92.6159.1-179.700000113.3
147I41.3Very low34.4Very low178 Ų178144.3 Ų144.391%0.91380%0.796SS**  trans-151.9134.9145.67.3178.6000109.1
148N32.6Very low34.5Very low169 Ų169143.2 Ų143.290%0.90479%0.791SS**  trans-81.7153.8-172-60.9-25.3000112.3
149G32.1Very low35Very low72 Ų72140.7 Ų140.774%0.74278%0.783SS**  trans150.984.7150.600000117.9
150L33.2Very low35.2Very low156 Ų156137.4 Ų137.482%0.81778%0.779SS**  66.3126.7127.2-163.262.9000120.9
151N34.8Very low34.6Very low136 Ų136137.7 Ų137.773%0.72778%0.784SS**  trans95.6120.1151.6-71.5-8.3000122.1
152D33.8Very low34.7Very low144 Ų144135.6 Ų135.677%0.7778%0.776SS**  trans83.2107.9133.6-122.98.6000121.3
153V36.1Very low35.1Very low111 Ų111133.3 Ų133.367%0.67377%0.768SS**  49113.5128.9163.60000119.1
154T41Very low35.6Very low135 Ų135136.5 Ų136.583%0.82877%0.767SS**  trans62.1101.9151.352.20000117.9
155S34.2Very low35.7Very low117 Ų117138.3 Ų138.382%0.81877%0.77SS**  trans-114.4128.2160.8-178.60000109.5
156D35.5Very low35.9Very low140 Ų140135.7 Ų135.775%0.74976%0.76SS**  trans-58.3156.4167.8-71.8-52.4000113
157Y33.4Very low36.6Very low222 Ų222137.9 Ų137.987%0.87176%0.76SS**  trans-124.789.114952.8-89.3000110.6
158F39Very low36.4Very low167 Ų167136.5 Ų136.573%0.73275%0.754SS**  -31.6155.6127.3-95.5-139.5000112.6
159L40.8Very low37Very low138 Ų138132.6 Ų132.672%0.72374%0.74SS**  cis-168.9144.520.7-116.4161.7000109.1
160S30.7Very low37.7Very low108 Ų108134.8 Ų134.876%0.75574%0.739SS**SBendtrans-68.6143.3150.8-178.10000109.6S162S160-S162 PolarHBondContact O-N 3.29Å
161S33.1Very low38.2Very low112 Ų112133.8 Ų133.878%0.78374%0.739SS**  trans-57.1125.3-174.6-57.40000114.9
162S32.9Very low38.3Very low93 Ų93134.1 Ų134.165%0.6574%0.741SS**  39.2119.1120.3-68.90000122.3S160S160-S162 PolarHBondContact O-N 3.29Å
163I40.1Very low38.5Very low128 Ų128133.8 Ų133.866%0.65674%0.738SS**  68.9131.6119.3-52160.5000113.1
164K41.9Very low38.4Very low185 Ų185134 Ų13480%0.80474%0.739SS**  -163.7127.555-14.1-162.8169.2-172.10108.2
165N37.2Very low38.2Very low122 Ų122133.3 Ų133.365%0.65274%0.735SS**  87.2131.189.1-80.436.1000112
166E38.4Very low38.4Very low147 Ų147134.5 Ų134.569%0.68774%0.736SS**  cis-161159.52-49.1-166.7152.300111.7
167V46.1Very low38.2Very low116 Ų116131.2 Ų131.270%0.70374%0.736SS**  trans50.3117.1140.3-69.40000122.6
168D37.8Very low38.3Very low149 Ų149129.6 Ų129.680%0.79774%0.736SS**  85.8141.276.7-120.2-31.9000110.5
169S45.7Very low39.4Very low86 Ų86126.6 Ų126.660%0.60173%0.734SS**  cis-173.6160.823.8-156.70000111.5
170T46.9Very low39Very low119 Ų119128 Ų12873%0.7374%0.736SS**  trans71.6129.4142-65.50000117.1
171V42.7Very low39.3Very low134 Ų134129.1 Ų129.181%0.81273%0.733SS**  -157.314952.5-171.30000111.7
172N36.8Very low39.3Very low143 Ų143131.5 Ų131.577%0.76574%0.737SS**  trans-55.8161.1171.9-116-6.4000119.5
173I37.6Very low39.2Very low138 Ų138130.1 Ų130.171%0.70874%0.738SS**  trans114103.9133.9-71.3153.5000121.9
174V35.4Very low38.9Very low116 Ų116129.1 Ų129.170%0.70374%0.742SS**  67.5146.7122.8-155.40000123
175V36.8Very low38.5Very low120 Ų120125.5 Ų125.573%0.72774%0.74SS**  trans112.892.1146.6-173.80000113.1
176V36.8Very low38.5Very low141 Ų141127.9 Ų127.986%0.85575%0.747SS**  69123.389174.70000114.1
177G32.2Very low38.6Very low72 Ų72129 Ų12974%0.74275%0.752SS**  trans131.695147.500000117.8
178Q35.8Very low38.2Very low188 Ų188132.9 Ų132.988%0.87976%0.762SS**  trans-69.2-178.6151.4-97.8-177-67.400111
179P61.6Low38.4Very low104 Ų104131.2 Ų131.268%0.67576%0.758SS**  cis-133.9-165.8-46.337.8-18.9000111.8
180H31.5Very low38.5Very low166 Ų166135.1 Ų135.177%0.76977%0.77SS**  trans117.2127146.5-122.6-116.9000121.6
181L38.5Very low38.4Very low132 Ų132135.6 Ų135.669%0.69177%0.773SS**  trans57119.9149.3-75.7171.4000125.6
182D32.2Very low38.2Very low163 Ų163133.7 Ų133.787%0.87277%0.771SS**  64.6139.3113.7-145.415.7000124.1
183G31.1Very low38.4Very low64 Ų64133.5 Ų133.566%0.6677%0.77SS**  trans127.3105.8150.100000121.5
184S33.9Very low39.3Very low107 Ų107132 Ų13275%0.74877%0.769SS**  trans71.3121.5134.7-155.40000124.2
185S33.5Very low40.2Very low108 Ų108132.8 Ų132.876%0.75578%0.777SS**  177.9112.7116.237.50000114.1
186E37.8Very low40.7Very low173 Ų173134.3 Ų134.381%0.80878%0.781SS**  49.6108.4125.3-58.5169.9-149.700122.5
187E39.3Very low41.1Very low169 Ų169133.2 Ų133.279%0.7977%0.774SS**  52.8114.8120.4-147.9173.7-143.900121.8
188Q37.6Very low41.5Very low198 Ų198135.9 Ų135.993%0.92578%0.78SS**  trans-156.6118.8139.2-115.7165.75100112.2
189V43.6Very low42.2Very low115 Ų115135.1 Ų135.170%0.69778%0.776SS**  trans-106.5121.1177.9-171.80000108.2
190I47.2Very low41.8Very low168 Ų168136 Ų13686%0.86278%0.78SS**  trans-144.2116.5150.6-55.5-178.2000109.3
191V44.3Very low42.9Very low129 Ų129133.6 Ų133.678%0.78278%0.776SS**  trans-79.9135.8166.61630000109.4
192A39.7Very low43.5Very low94 Ų94135.1 Ų135.178%0.77778%0.78SS**  trans-155.29515100000112
193N39.7Very low44.2Very low139 Ų139132.8 Ų132.874%0.74377%0.771SS**  trans59.7108.8134.7-148.37.2000120.8
194P57.7Low44.7Very low105 Ų105135.4 Ų135.468%0.68277%0.774SS**PPolyproline II helixtrans-80143.515632.6-30.6000111.1
195P54.2Low45.5Very low134 Ų134136.2 Ų136.287%0.8778%0.775SS**PPolyproline II helixtrans-68.4140.3179.928.5-32.9000111.7
196D46.8Very low46.3Very low152 Ų152140 Ų14081%0.81378%0.781SS**PPolyproline II helixtrans-87.1163.8-170.5-148-5.5000112.5
197V44Very low46.4Very low117 Ų117136.6 Ų136.671%0.70978%0.776SS**  trans84.983.3162.8-163.90000118.1
198C41.3Very low46.4Very low128 Ų128135.7 Ų135.787%0.86578%0.777SS**  trans-73.3122.4148.5-70.50000109.1V200C198-V200 PolarHBondContact O-N 3.14Å
199Q49.9Very low46.5Very low172 Ų172134.5 Ų134.580%0.80477%0.771SS**  trans-54.4124168.5-88172.3-16.800110.7V201Q199-V201 PolarHBondContact O-N 3.23Å
200V54Low46.3Very low124 Ų124136.2 Ų136.275%0.75277%0.772SS**  trans-65.7112.8158.5147.80000107.2C198 E202C198-V200 PolarHBondContact O-N 3.14Å; V200-E202 HydrophobicContact CG1-CG 3.82Å
201V54.3Low45.9Very low114 Ų114134.1 Ų134.169%0.69177%0.769SS**  trans-91.8106163.4178.40000106.1Q199 V203Q199-V201 PolarHBondContact O-N 3.23Å; V201-V203 HydrophobicContact CG1-CG2 4.23Å; V201-V203 PolarHBondContact O-N 3.35Å; V201-V203 VanDerWaalsContact O-N 3.13Å
202E51.2Low45.3Very low164 Ų164135.1 Ų135.177%0.76677%0.769SS**  trans-68104.2167.6-63.7-176159.500107.9V200 T204V200-E202 HydrophobicContact CG1-CG 3.82Å; E202-T204 PolarHBondContact O-N 3.11Å
203V46.9Very low45.5Very low115 Ų115135.6 Ų135.670%0.69777%0.767SS**  trans-82.992.4168.2-178.70000107V201 T205V201-V203 HydrophobicContact CG1-CG2 4.23Å; V201-V203 PolarHBondContact O-N 3.35Å; V201-V203 VanDerWaalsContact O-N 3.13Å; V203-T205 HydrophobicContact CG1-CG2 4.5Å; V203-T205 PolarHBondContact O-N 3.19Å; V203-T205 VanDerWaalsContact O-N 3.15Å
204T42Very low45.2Very low118 Ų118136 Ų13672%0.72477%0.766SS**  trans-61.6111.6164.548.10000108.5E202 E206E202-T204 PolarHBondContact O-N 3.11Å; T204-E206 PolarHBondContact O-N 2.57Å
205T50.4Low44.4Very low125 Ų125135.4 Ų135.477%0.76777%0.765SS**  trans-87.792.3168.140.60000107.6V203 S207V203-T205 HydrophobicContact CG1-CG2 4.5Å; V203-T205 PolarHBondContact O-N 3.19Å; V203-T205 VanDerWaalsContact O-N 3.15Å; T205-S207 PolarHBondContact O-N 3.03Å
206E50.8Low43.7Very low186 Ų186136 Ų13687%0.86976%0.755SS**  trans-79.1104.1161.561.7-170.715000108.2T204T204-E206 PolarHBondContact O-N 2.57Å
207S39.2Very low43.2Very low103 Ų103136.6 Ų136.672%0.7276%0.758SS**  trans-68122.5160.8-69.10000107.9T205T205-S207 PolarHBondContact O-N 3.03Å
208D38.9Very low43.1Very low150 Ų150140.1 Ų140.180%0.80276%0.76SS**  trans-130.3121.3153-150.7-101000108.4
209E41.4Very low43.3Very low173 Ų173139.7 Ų139.781%0.80876%0.756SS**  trans-88.1113.4-174.3-47.7-160.5123.600108.5
210Q37.6Very low43.1Very low150 Ų150138.3 Ų138.370%0.70175%0.753SS**  trans-146.4109.3165.4-160.9109.1-30.600111.4L212Q210-L212 HydrophobicContact CG-CD2 4.32Å; Q210-L212 PolarHBondContact O-N 2.84Å
211P40.6Very low43Very low125 Ų125141.7 Ų141.781%0.81276%0.76SS**  trans-78.4103.9165.729.5-29.1000109.3S213P211-S213 PolarHBondContact O-N 3.24Å; P211-S213 VanDerWaalsContact O-N 3.09Å
212L31Very low42.6Very low150 Ų150143.3 Ų143.379%0.78576%0.764SS**  trans-75.398.8166.3-69.4179.9000109.9Q210 M214Q210-L212 HydrophobicContact CG-CD2 4.32Å; Q210-L212 PolarHBondContact O-N 2.84Å; L212-M214 PolarHBondContact O-N 3.42Å; L212-M214 VanDerWaalsContact O-N 3.15Å
213S43.8Very low42.2Very low104 Ų104140.6 Ų140.673%0.72776%0.763SS**  trans-51.3105157171.80000110.7P211P211-S213 PolarHBondContact O-N 3.24Å; P211-S213 VanDerWaalsContact O-N 3.09Å
214M34Very low42.4Very low148 Ų148140.8 Ų140.873%0.72977%0.767SS**  trans-103.279162.9-77.9-121.669.500109.5L212 Q216L212-M214 PolarHBondContact O-N 3.42Å; L212-M214 VanDerWaalsContact O-N 3.15Å; M214-Q216 HydrophobicContact CE-CG 4.12Å; M214-Q216 PolarHBondContact O-N 3.16Å
215S41Very low42.2Very low92 Ų92142 Ų14264%0.64377%0.773SS**  trans-75.592.8160.654.20000109.1
216Q39.7Very low41.7Very low145 Ų145141.4 Ų141.468%0.67878%0.775SS**  trans-99.797.6158.2-76.9-175.2-16.500108.6M214 Y218M214-Q216 HydrophobicContact CE-CG 4.12Å; M214-Q216 PolarHBondContact O-N 3.16Å; Q216-Y218 PolarHBondContact O-N 3.24Å
217L35.2Very low41.5Very low166 Ų166137.9 Ų137.987%0.86977%0.77SS**  trans-63.7106.9168.7-77.8154.6000109.2
218Y41.8Very low41.9Very low190 Ų190143.9 Ų143.975%0.74578%0.779SS**  trans-85.5126.4157.3-84.9-85.3000108.6Q216 L220Q216-Y218 PolarHBondContact O-N 3.24Å; Y218-L220 VanDerWaalsContact C-N 3.34Å; Y218-L220 PolarHBondContact O-N 2.95Å
219P46.2Very low42.3Very low120 Ų120140 Ų14078%0.77977%0.768SS**  trans-71.294.3166-10.626.5000108.4Q221P219-Q221 PolarHBondContact O-N 3.24Å; P219-Q221 VanDerWaalsContact O-N 3.16Å
220L44.7Very low42.3Very low143 Ų143139.4 Ų139.475%0.74977%0.765SS**  trans-67.1108.2165.8-70.1169.7000107.8Y218 I222Y218-L220 VanDerWaalsContact C-N 3.34Å; Y218-L220 PolarHBondContact O-N 2.95Å; L220-I222 HydrophobicContact CB-CG1 4.3Å; L220-I222 PolarHBondContact O-N 3.25Å; L220-I222 VanDerWaalsContact O-N 3.11Å
221Q52.3Low42.5Very low194 Ų194138 Ų13891%0.90777%0.772SS**  trans-70.499.4167.3-68.9-107.1-87.800108.1P219P219-Q221 PolarHBondContact O-N 3.24Å; P219-Q221 VanDerWaalsContact O-N 3.16Å
222I46.1Very low42.8Very low148 Ų148139.4 Ų139.476%0.75977%0.767SS**PPolyproline II helixtrans-98.1118.1172.4-51.6168.8000107L220L220-I222 HydrophobicContact CB-CG1 4.3Å; L220-I222 PolarHBondContact O-N 3.25Å; L220-I222 VanDerWaalsContact O-N 3.11Å
223S41.8Very low43.4Very low108 Ų108139 Ų13976%0.75577%0.772SS**PPolyproline II helixtrans-68.4152.1174.3-132.50000111
224P52.5Low43.5Very low119 Ų119140.4 Ų140.477%0.77378%0.776SS**PPolyproline II helixtrans-72.2145.7-158.426.7-32.5000114.8
225V36.3Very low43.7Very low142 Ų142140.2 Ų140.286%0.86178%0.778SS**PPolyproline II helixtrans-67.2121.7170177.80000109.1S227V225-S227 PolarHBondContact O-N 3.15Å
226S41.4Very low43.6Very low114 Ų114140.6 Ų140.680%0.79778%0.78SS**  trans-75.8113.5165.872.30000109.2
227S46.7Very low43.7Very low111 Ų111140.2 Ų140.278%0.77679%0.787SS**  trans-69.3126.3159.7165.10000109.3V225V225-S227 PolarHBondContact O-N 3.15Å
228Y46.1Very low44.1Very low229 Ų229137.6 Ų137.690%0.89878%0.78SS**  trans-145.1137.1146.1-166.8-101.4000110
229A48.2Very low43.6Very low69 Ų69133.8 Ų133.857%0.5778%0.782SS**  trans-85.8172-160.300000113.8
230E41.9Very low43.3Very low161 Ų161135.4 Ų135.475%0.75278%0.784SS**  trans-36.6145.6174.4-71.7158.7120.900116
231S41.7Very low42.9Very low120 Ų120137.4 Ų137.484%0.83979%0.789SS**  -165.1117.5117.3-75.40000110.3
232E46.5Very low42.5Very low154 Ų154137 Ų13772%0.7279%0.788SS**  trans-51.914115451.4-145.393.600113.4
233T42.8Very low41.7Very low143 Ų143137 Ų13788%0.87779%0.789SS**  trans171.3152.3134.739.40000111.6
234T46.1Very low41.7Very low132 Ų132135.7 Ų135.781%0.8179%0.785SS**  trans-78.5156.2-167.449.60000114.6
235D38.6Very low41.2Very low145 Ų145139.3 Ų139.378%0.77579%0.791SS**  trans83.2143.1140.2-160.448000121.1
236S39.6Very low41.2Very low99 Ų99136.6 Ų136.669%0.69279%0.791SS**  trans84.1119.5159.6-72.20000121.5
237V41.8Very low40.9Very low137 Ų137142.4 Ų142.483%0.8380%0.796SS**  trans-85.3139.4159.7-164.70000106.6
238P43.2Very low40.6Very low111 Ų111143.1 Ų143.172%0.72179%0.791SS**  -157.4164.887.738-15.9000118.8
239S31.1Very low40.3Very low111 Ų111138.3 Ų138.378%0.77678%0.776SS**  trans68134145.5-73.50000124.8
240D40.2Very low40Very low153 Ų153141.6 Ų141.682%0.81877%0.774SS**  trans11.4118.6148.3-92.2-70000119.4
241E37Very low40.7Very low186 Ų186139 Ų13987%0.86976%0.762SS**  -176.9140.7107.9-100-174.6142.300111.4
242E42.3Very low41Very low186 Ų186140.7 Ų140.787%0.86975%0.754SS**  trans-5.4118.1157.7-165.9176.6139.100119.1
243N30.8Very low41.2Very low148 Ų148140.2 Ų140.279%0.79175%0.75SS**  trans-149.9114.8139.8-158.1-21.7000111.2
244A41.4Very low41.3Very low80 Ų80138.4 Ų138.466%0.66173%0.734SS**  trans-85.5114.4175.600000109.6
245E40.5Very low41.7Very low195 Ų195138.2 Ų138.291%0.91173%0.727SS**  trans-171101.8152-107154.5-155.900111.1
246G38.3Very low42.2Very low84 Ų84140.2 Ų140.287%0.86673%0.732SS**  trans171.226.1177.600000113.5
247R35Very low43Very low236 Ų236139 Ų13989%0.89174%0.735SS**  trans-103.5104.4178.9-157.9172.2-169.6-109.83.9109.1H249R247-H249 PolarHBondContact O-N 3.09Å
248L39.3Very low43.3Very low127 Ų127139 Ų13967%0.66572%0.724SS**  trans-52.4111.5165.3-68.8165000108.5W250L248-W250 VanDerWaalsContact O-CD1 3.29Å; L248-W250 PolarHBondContact O-N 3.28Å; L248-W250 VanDerWaalsContact O-N 3.12Å
249H40.3Very low43.9Very low128 Ų128140.5 Ų140.559%0.59372%0.721SS**  trans-72.1102.2178.3148.8-99.9000109.3R247 Q251 N263R247-H249 PolarHBondContact O-N 3.09Å; H249-Q251 VanDerWaalsContact CE1-CD 3.43Å; H249-Q251 WeakPolarHBondContact CE1-CG 3.44Å; H249-Q251 PolarHBondContact CE1-NE2 3.29Å; H249-Q251 VanDerWaalsContact NE2-CG 3.31Å; H249-Q251 WeakPolarHBondContact NE2-CG 3.42Å; H249-Q251 PolarHBondContact NE2-NE2 3.3Å; H249-Q251 VanDerWaalsContact NE2-NE2 3.18Å; H249-Q251 PolarHBondContact O-N 3.35Å; H249-N263 PolarHBondContact O-OD1 3.23Å
250W42.4Very low45.1Very low137 Ų137142.6 Ų142.652%0.51971%0.713SS.*  trans-76114.7171-6495.5000109.5L248 L261 N263L248-W250 VanDerWaalsContact O-CD1 3.29Å; L248-W250 PolarHBondContact O-N 3.28Å; L248-W250 VanDerWaalsContact O-N 3.12Å; W250-L261 HydrophobicContact CB-CD2 4.32Å; W250-L261 HydrophobicContact CE3-CB 4.25Å; W250-N263 VanDerWaalsContact CD2-ND2 3.31Å; W250-N263 HydrophobicContact CE3-CB 3.91Å; W250-N263 HydrophobicContact CH2-CB 3.96Å; W250-N263 WeakPolarHBondContact CH2-ND2 3.45Å; W250-N263 WeakPolarHBondContact CZ2-ND2 3.32Å; W250-N263 HydrophobicContact CZ3-CB 3.53Å; W250-N263 VanDerWaalsContact CZ3-CG 3.43Å; W250-N263 VanDerWaalsContact CZ3-ND2 3.34Å; W250-N263 WeakPolarHBondContact CZ3-ND2 3.23Å
251Q55.3Low45.5Very low108 Ų108140.9 Ų140.951%0.50570%0.703SS.*EExtended strand (participates in β ladder)trans-81.5128.9171.8-73.9-135-45.500111.7H249H249-Q251 VanDerWaalsContact CE1-CD 3.43Å; H249-Q251 WeakPolarHBondContact CE1-CG 3.44Å; H249-Q251 PolarHBondContact CE1-NE2 3.29Å; H249-Q251 VanDerWaalsContact NE2-CG 3.31Å; H249-Q251 WeakPolarHBondContact NE2-CG 3.42Å; H249-Q251 PolarHBondContact NE2-NE2 3.3Å; H249-Q251 VanDerWaalsContact NE2-NE2 3.18Å; H249-Q251 PolarHBondContact O-N 3.35Å
252K48.1Very low46.3Very low154 Ų154135.4 Ų135.467%0.6769%0.685SS**EExtended strand (participates in β ladder)trans-77.7120.9167.5-83.6178.7174.7175.40109L261K252-L261 HydrophobicContact CG-CD2 4.03Å
253K51.8Low46.8Very low145 Ų145129.7 Ų129.763%0.6366%0.661SS**EExtended strand (participates in β ladder)trans-115.2140.5163.6-80.4-176.5174.71760109.6
254N45Very low47.7Very low105 Ų105130.5 Ų130.556%0.56166%0.664SS**EExtended strand (participates in β ladder)trans-117.4114.2-177.6-144.1-17.9000107.4
255I53Low47.5Very low127 Ų127130 Ų13065%0.65167%0.668SS**EExtended strand (participates in β ladder)trans-128.8122.4172.4-67170.1000105.6G257I255-G257 PolarHBondContact O-N 3.15Å
256E49.5Very low47.8Very low188 Ų188129.5 Ų129.588%0.87967%0.667SS**THydrogen-bonded Turntrans54.548.2173.1-150.8130.8-153.900114.2K258E256-K258 VanDerWaalsContact C-N 3.29Å; E256-K258 PolarHBondContact O-N 3.42Å
257G56Low47.7Very low74 Ų74137 Ų13776%0.76367%0.67SS**THydrogen-bonded Turntrans72.210.6168.400000116.2I255I255-G257 PolarHBondContact O-N 3.15Å
258K48.5Very low47.7Very low137 Ų137133.6 Ų133.660%0.59667%0.669SS**EExtended strand (participates in β ladder)trans-125.9128.1176.6-63-175-177.1-179.30111E256 Y260E256-K258 VanDerWaalsContact C-N 3.29Å; E256-K258 PolarHBondContact O-N 3.42Å; K258-Y260 HydrophobicContact CB-CE2 3.68Å; K258-Y260 WeakPolarHBondContact O-CD2 3.48Å; K258-Y260 WeakPolarHBondContact O-CE2 3.42Å
259Q56.8Low47.6Very low141 Ų141133.4 Ų133.466%0.65967%0.673SS**EExtended strand (participates in β ladder)trans-86.4128.6-176.4-64.5-176.2-39.100111
260Y55.2Low48Very low156 Ų156133.1 Ų133.161%0.61269%0.685SS**EExtended strand (participates in β ladder)trans-128.1149.5175.1-58.6-84.7000111K258K258-Y260 HydrophobicContact CB-CE2 3.68Å; K258-Y260 WeakPolarHBondContact O-CD2 3.48Å; K258-Y260 WeakPolarHBondContact O-CE2 3.42Å
261L49.3Very low47.8Very low116 Ų116133.4 Ų133.461%0.60769%0.692SS**EExtended strand (participates in β ladder)trans-109.8126.3175.5-64.2174.5000109.2W250 K252W250-L261 HydrophobicContact CB-CD2 4.32Å; W250-L261 HydrophobicContact CE3-CB 4.25Å; K252-L261 HydrophobicContact CG-CD2 4.03Å
262S54.2Low47.6Very low71 Ų71137 Ų13750%0.49771%0.711SS.*EExtended strand (participates in β ladder)trans-134.7138.9175.4740000111.6
263N51.5Low47.5Very low66 Ų66136.6 Ų136.635%0.35372%0.716SS.*  trans-113.396.6166.1-93.5-19.4000107.9H249 W250H249-N263 PolarHBondContact O-OD1 3.23Å; W250-N263 VanDerWaalsContact CD2-ND2 3.31Å; W250-N263 HydrophobicContact CE3-CB 3.91Å; W250-N263 HydrophobicContact CH2-CB 3.96Å; W250-N263 WeakPolarHBondContact CH2-ND2 3.45Å; W250-N263 WeakPolarHBondContact CZ2-ND2 3.32Å; W250-N263 HydrophobicContact CZ3-CB 3.53Å; W250-N263 VanDerWaalsContact CZ3-CG 3.43Å; W250-N263 VanDerWaalsContact CZ3-ND2 3.34Å; W250-N263 WeakPolarHBondContact CZ3-ND2 3.23Å
264L50.2Low47.4Very low165 Ų165135.2 Ų135.286%0.86472%0.721SS**  trans-128.196.9169.8-158.367.1000108.9
265G37.4Very low47.9Very low71 Ų71134.3 Ų134.373%0.73272%0.724SS**  trans-71.5138.7169.500000110.5R267G265-R267 PolarHBondContact O-N 3.13Å
266M46.4Very low47.9Very low183 Ų183135.2 Ų135.290%0.90173%0.727SS**  trans-62.3110.5-174.3-59.3157.663.600111.9
267R36.3Very low47.8Very low243 Ų243130.1 Ų130.192%0.91772%0.717SS**  trans-146.697.9147.7-67.1-165.7-173.9-178.62.3108.5G265G265-R267 PolarHBondContact O-N 3.13Å
268N35.6Very low47.5Very low163 Ų163132 Ų13287%0.87271%0.713SS**  trans-75.9119.3172-74.3-14.8000109.5
269T36.6Very low47.5Very low124 Ų124133.4 Ų133.476%0.76172%0.72SS**  trans-130.7106.914453.20000106.9H271T269-H271 PolarHBondContact O-N 3.28Å
270S48.7Very low47.4Very low121 Ų121133.2 Ų133.285%0.84673%0.728SS**  trans-61.3112.2-176.540.20000112.8
271H38.6Very low47.1Very low144 Ų144129.6 Ų129.667%0.66773%0.731SS**  trans-134.9107.2148.753.6-79.1000107.2T269 L273T269-H271 PolarHBondContact O-N 3.28Å; H271-L273 PolarHBondContact O-N 3.29Å
272M50Low46.6Very low182 Ų182131.8 Ų131.890%0.89774%0.743SS**PPolyproline II helixtrans-74.9120.5175.7-67.4-9275.500108.2
273L47.6Very low46.6Very low147 Ų147138.1 Ų138.177%0.7776%0.762SS**PPolyproline II helixtrans-76.3138.5171.1-69.3171.1000109.7H271 S275H271-L273 PolarHBondContact O-N 3.29Å; L273-S275 PolarHBondContact O-N 3.45Å
274P49.9Very low46.4Very low115 Ų115140.1 Ų140.175%0.74778%0.778SS**PPolyproline II helixtrans-62.4133.8177-19.231000111.7
275S54.3Low46.2Very low87 Ų87140 Ų14061%0.60878%0.778SS**PPolyproline II helixtrans-68149.2173.1177.80000111.2L273 A277 T278L273-S275 PolarHBondContact O-N 3.45Å; S275-A277 PolarHBondContact O-N 3.45Å; S275-T278 PolarHBondContact O-OG1 3.39Å
276M52.8Low46.6Very low146 Ų146143.8 Ų143.872%0.71978%0.781SS**G310 helixtrans-62.91.9176.3-81-10441.900114.9T278 F279M276-T278 VanDerWaalsContact C-N 3.31Å; M276-T278 PolarHBondContact O-N 2.91Å; M276-F279 HydrophobicContact CE-CD2 3.33Å; M276-F279 HydrophobicContact CE-CE2 3.5Å; M276-F279 VanDerWaalsContact CE-CE2 3.5Å; M276-F279 HydrophobicContact CE-CG 4.36Å
277A49.1Very low46.5Very low81 Ų81144 Ų14467%0.66978%0.78SS**G310 helixtrans-77.3-5.7179.100000114.7S275 F279S275-A277 PolarHBondContact O-N 3.45Å; A277-F279 PolarHBondContact O-N 3.43Å
278T49.3Very low46.4Very low112 Ų112138.4 Ų138.469%0.68777%0.773SS**G310 helixtrans-87.45.6-176.2-33.80000114.5S275 M276S275-T278 PolarHBondContact O-OG1 3.39Å; M276-T278 VanDerWaalsContact C-N 3.31Å; M276-T278 PolarHBondContact O-N 2.91Å
279F46.9Very low46.8Very low167 Ų167136.6 Ų136.673%0.73277%0.768SS**G310 helixtrans-98.68.8-178.5-67.8-81.9000115.1M276 A277M276-F279 HydrophobicContact CE-CD2 3.33Å; M276-F279 HydrophobicContact CE-CE2 3.5Å; M276-F279 VanDerWaalsContact CE-CE2 3.5Å; M276-F279 HydrophobicContact CE-CG 4.36Å; A277-F279 PolarHBondContact O-N 3.43Å
280V55.1Low47.1Very low137 Ų137137.5 Ų137.583%0.8377%0.766SS**SBendtrans-131.472.6178.2-166.50000110.8
281A48.4Very low46.6Very low81 Ų81141 Ų14167%0.66977%0.766SS**  trans179.1110.4146.900000107
282N39.4Very low46.8Very low162 Ų162142.4 Ų142.487%0.86677%0.773SS**  trans-172.7102.8141.7-85.5-18.2000106.9P284N282-P284 WeakPolarHBondContact O-CD 3.33Å
283K53.8Low45.9Very low204 Ų204142.3 Ų142.389%0.88777%0.77SS**  trans-70.7128.1164.1-77.3174.2165.4177.70108
284P47.2Very low45.2Very low108 Ų108140.4 Ų140.470%0.70177%0.769SS**  trans-95.3120.7146.930.8-25.5000108.9N282 L286N282-P284 WeakPolarHBondContact O-CD 3.33Å; P284-L286 PolarHBondContact O-N 3.46Å
285D47.7Very low44.5Very low161 Ų161140.8 Ų140.886%0.86177%0.773SS**  trans-57.4112.7162.6-98.6-27.8000109.2
286L44.4Very low44.3Very low152 Ų152141.8 Ų141.880%0.79678%0.778SS**  trans-138.2107.8162.4-80.2168.3000107.9P284 V288P284-L286 PolarHBondContact O-N 3.46Å; L286-V288 PolarHBondContact O-N 3.22Å
287Q43.9Very low43.6Very low187 Ų187142.8 Ų142.887%0.87479%0.785SS**  trans-64.5126.4175.7-66.3-178.96.300109.7
288V36Very low43.5Very low126 Ų126144.6 Ų144.676%0.76479%0.79SS**  trans-88.9103173.3179.60000107.9L286 I290L286-V288 PolarHBondContact O-N 3.22Å; V288-I290 HydrophobicContact CG1-CG1 3.83Å
289T43.3Very low43Very low125 Ų125148.9 Ų148.977%0.76780%0.795SS**  trans-92.4103.7164.4-49.90000108.2
290I43.6Very low42.6Very low142 Ų142148.2 Ų148.273%0.72880%0.799SS**  trans-76.9119.9169.6-50.1174.7000106.6V288V288-I290 HydrophobicContact CG1-CG1 3.83Å
291K38.2Very low41.9Very low195 Ų195145 Ų14585%0.84878%0.782SS**  trans-131.4100.9164.4-149.2-179-179.2-171.80107.8
292E42.5Very low41.4Very low174 Ų174146.6 Ų146.681%0.81379%0.789SS**  trans-70.1134.7157.4-77.3-162136.700108.3
293E31.3Very low41.6Very low179 Ų179150.7 Ų150.784%0.83679%0.792SS**  -176129127.5-101.4-162.8130.300112.5
294S32.6Very low41.3Very low107 Ų107145.3 Ų145.375%0.74878%0.779SS**  trans54.4118.5138.4-61.80000122.9
295C34.2Very low41Very low123 Ų123146.1 Ų146.183%0.83178%0.784SS**  trans-59.3178162.6-53.10000113.4
296P50.9Low40.7Very low108 Ų108147.8 Ų147.870%0.70178%0.784SS**  cis-141.9161.96.726.1-0.2000118.8
297L38.3Very low40.2Very low167 Ų167146.1 Ų146.187%0.87479%0.785SS**  trans65.1162.9149.7-65.3172.3000121.2
298P47.1Very low39.8Very low119 Ų119145 Ų14577%0.77379%0.785SS**  cis-128.8173.2-9.431.4-9.7000116.2
299Y39Very low39.9Very low203 Ų203146.9 Ų146.980%0.79679%0.789SS**  trans-38.7130.8168.3-170.4-101.1000117S301Y299-S301 PolarHBondContact OH-OG 3.46Å
300N37.3Very low39.9Very low152 Ų152146.8 Ų146.881%0.81379%0.79SS**  trans-152.6128.7145-152.2-19.1000112.1
301S40.9Very low39.5Very low69 Ų69147.9 Ų147.948%0.48380%0.797SS.*  trans-88.7121.8179.4-64.40000109.7Y299Y299-S301 PolarHBondContact OH-OG 3.46Å
302S37.5Very low39.5Very low116 Ų116144.1 Ų144.181%0.81179%0.793SS**  trans-161.6113.7160.1-77.20000110.4
303W43.4Very low39Very low247 Ų247145.1 Ų145.194%0.93680%0.797SS**PPolyproline II helixtrans-83.8146.7167.4-74.172.8000109.4
304P47.2Very low39.1Very low92 Ų92143.1 Ų143.160%0.59780%0.797SS**PPolyproline II helixtrans-82.6152.2-179.933.9-32.3000111.7
305P42.6Very low39.1Very low124 Ų124144.5 Ų144.581%0.80580%0.8SS**PPolyproline II helixtrans-83.2137.7174.433.8-29.8000110.4
306F40.4Very low38.9Very low196 Ų196144.5 Ų144.586%0.8680%0.802SS**PPolyproline II helixtrans-98.3133.5169.2-74.5-77.9000110.3
307S33.9Very low38Very low118 Ų118146 Ų14683%0.82581%0.809SS**PPolyproline II helixtrans-81148.3-178.4-47.60000113.3
308D35.2Very low37.7Very low162 Ų162142.7 Ų142.787%0.86681%0.806SS**PPolyproline II helixtrans-59.6142.6178.2-63.1-63.4000115.7
309I38.9Very low37Very low166 Ų166143 Ų14385%0.85181%0.811SS**  trans-143.3142155.8-61.4-177000108.9
310P42Very low36.6Very low123 Ų123139.6 Ų139.680%0.79981%0.812SS**PPolyproline II helixtrans-95.4155-1547.312.6000116.6
311L36.1Very low36.4Very low165 Ų165137.9 Ų137.986%0.86481%0.812SS**PPolyproline II helixtrans-71.4151.3170.8-81.8146000113.8
312P37.8Very low36Very low117 Ų117139.5 Ų139.576%0.7682%0.823SS**PPolyproline II helixtrans-97.1134.3153.433.2-24.5000111.8
313Q32.8Very low35.9Very low194 Ų194138.7 Ų138.791%0.90782%0.817SS**PPolyproline II helixtrans-74.4139.1178.1-63.7179.3-83.100112
314V32.8Very low35.6Very low138 Ų138138.4 Ų138.484%0.83682%0.816SS**  trans-119.1125.2160.1177.30000108.6
315V33.6Very low35.8Very low135 Ų135139.1 Ų139.182%0.81882%0.82SS**  trans-75.6133.7-174.7-125.70000110.5
316S29.3Very low35.4Very low123 Ų123140.1 Ų140.186%0.8682%0.819SS**  trans-97.9128.2167.3-66.50000109.5
317T31.9Very low35.5Very low139 Ų139142.5 Ų142.585%0.85382%0.823SS**  trans-107.1123.6166.943.50000109.4
318A31.1Very low35.8Very low98 Ų98145.4 Ų145.481%0.8182%0.823SS**  trans-87.5146.7168.500000109.7
319S32.3Very low36.1Very low126 Ų126144.8 Ų144.888%0.88183%0.825SS**  trans-148.3134.1161.8-68.60000110.4
320T31.3Very low36.7Very low132 Ų132148.4 Ų148.481%0.8183%0.828SS**  trans-96.1154.9-171.825.70000112.3
321S33.2Very low36.9Very low116 Ų116147.1 Ų147.181%0.81183%0.828SS**  trans87130.4140.776.20000122.1
322S32.1Very low37.4Very low103 Ų103144.9 Ų144.972%0.7283%0.826SS**  110.5100.7125-158.80000120.3
323S35.3Very low37.7Very low99 Ų99145.2 Ų145.269%0.69283%0.826SS**  91.1129.1117.175.80000123.6
324R38.6Very low38.9Very low240 Ų240143.8 Ų143.891%0.90682%0.822SS**  trans109.3151.3140.3-79.4-170.2177.5-165.1-0.3120.9
325P49.8Very low39.7Very low107 Ų107146 Ų14670%0.69582%0.821SS**  trans-125.7-166-132.144.8-29.6000115.8
326D34.7Very low40.9Very low146 Ų146149.2 Ų149.278%0.78182%0.824SS**  trans85.3113.2164.6-76.4-29.9000120.2
327R42.1Very low42.2Very low246 Ų246149.3 Ų149.393%0.92882%0.82SS**  -173.1129.7109.2-107.5-179.9168.9166.6-2.1113.5
328E40.9Very low43.5Very low178 Ų178148.7 Ų148.783%0.83282%0.821SS**  trans-68.1151.4171.1-60172128.600112.8
329T42.4Very low44.3Very low150 Ų150151.3 Ų151.392%0.9282%0.821SS**  trans-158.5114.4140.22.70000111.7
330R49.8Very low45.2Very low242 Ų242152.9 Ų152.991%0.91382%0.818SS**  trans-74.8146.6168.4-85172.1139164.5-4.4111.2
331A47Very low46.4Very low96 Ų96152.9 Ų152.979%0.79382%0.818SS**  trans-165.7102.3142.200000107.6
332S45.9Very low47Very low117 Ų117156.3 Ų156.382%0.81882%0.821SS**  79.8114.278.3-69.40000114.7
333V45.8Very low47.6Very low124 Ų124156.9 Ų156.975%0.75283%0.825SS**  trans-61.6140.3178.6172.50000112.8K335V333-K335 HydrophobicContact CG1-CG 4.36Å
334I57.5Low48.6Very low164 Ų164162 Ų16284%0.84183%0.829SS**  trans-137.8109.1151.9-53.6179.4000109.8
335K50.3Low49.4Very low186 Ų186156.9 Ų156.981%0.80982%0.824SS**PPolyproline II helixtrans-80.8127.5162.6-68.8179.2176178.20107.6V333V333-K335 HydrophobicContact CG1-CG 4.36Å
336K58.3Low49.7Very low202 Ų202159.6 Ų159.688%0.87883%0.825SS**PPolyproline II helixtrans-91.7116.3175-169.9165.4176.9174.10109
337T56.8Low50.5Low125 Ų125157.7 Ų157.777%0.76782%0.823SS**PPolyproline II helixtrans-85.9138.317049.60000109.4
338S57.8Low50.7Low125 Ų125155.5 Ų155.587%0.87484%0.843SS**PPolyproline II helixtrans-84.7122173-32.30000109.1
339D49.2Very low51.1Low153 Ų153154.4 Ų154.482%0.81884%0.844SS**PPolyproline II helixtrans-72.9138.1172.1-103.2-47000111.6
340I50Low51.6Low159 Ų159154.6 Ų154.682%0.81584%0.84SS**  trans-98.1106.7174.3-166.5162000108.3
341T56.1Low51.7Low133 Ų133149.7 Ų149.782%0.81684%0.836SS**  trans-96.7118.5173.5500000110.5
342Q46.7Very low52Low188 Ų188152.9 Ų152.988%0.87984%0.838SS**  trans-60.9139.7175.6-64.4177.7-21.300112.4
343S45.7Very low52.4Low115 Ų115155.1 Ų155.180%0.80484%0.84SS**  trans-80.8113.7167.554.40000110.1V345S343-V345 PolarHBondContact O-N 3.32Å
344R54.5Low52.8Low206 Ų206157.2 Ų157.278%0.77785%0.845SS**  trans-82.9108.9170.6-176.5171.8-176.7172.72.6109.2
345V55.8Low52.5Low132 Ų132156.7 Ų156.780%0.885%0.846SS**  trans-66.9131163.9-174.50000108.3S343S343-V345 PolarHBondContact O-N 3.32Å
346K56.2Low52.6Low165 Ų165154.5 Ų154.572%0.71785%0.849SS**  trans-125.1118.7162.9-84.4-178.3174.1-178.40108.7
347S50.9Low52.2Low105 Ų105150.5 Ų150.573%0.73485%0.846SS**  trans-98.9151.7165.2-175.50000108
348C46.3Very low51.7Low200 Ų200152.8 Ų152.8100%1.35185%0.853SS**  trans77.50174-57.60000117

Retrieved 348 of 348 residues in 282.9 ms (Link to these results)

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