A0A077ZM82_TRITR Loading...

Heat shock 70 kDa protein 9 (Mortalin)

AlphaFold DB , UniProt , Accession A0A077ZM82, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 443 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
1M42.9Very low82.6Confident177 Ų17750.6 Ų50.687%0.87227%0.27SS*.  0110.30-133.5168.886.400105I3M1-I3 PolarHBondContact O-N 2.97Å; M1-I3 VanDerWaalsContact O-N 3.08Å
2V50.4Low83.9Confident130 Ų13047.7 Ų47.779%0.78826%0.26SS*.  trans-81.197.3-172.5-173.20000107.1F4V2-F4 PolarHBondContact O-N 3.31Å
3I60Low84.9Confident90 Ų9047.6 Ų47.646%0.46228%0.278SS..  trans-67.3123.6161.5-64.8180000105.8M1 E22 Q24M1-I3 PolarHBondContact O-N 2.97Å; M1-I3 VanDerWaalsContact O-N 3.08Å; I3-E22 VanDerWaalsContact CG2-CD 3.46Å; I3-E22 HydrophobicContact CG2-CG 3.41Å; I3-E22 VanDerWaalsContact CG2-CG 3.41Å; I3-E22 WeakPolarHBondContact CG2-OE1 3.38Å; I3-Q24 HydrophobicContact CG1-CG 4.27Å
4F79.9Confident85.7Confident67 Ų6746.6 Ų46.629%0.29428%0.283SS..EExtended strand (participates in β ladder)trans-114.5106.7-177.7-163.3-104.1000109.5V2 V6 I23 E148V2-F4 PolarHBondContact O-N 3.31Å; F4-V6 HydrophobicContact CD1-CG2 3.37Å; F4-V6 HydrophobicContact CE1-CG2 3.49Å; F4-V6 VanDerWaalsContact CE1-CG2 3.49Å; F4-I23 PolarHBondContact N-O 2.99Å; F4-I23 PolarHBondContact O-N 3.37Å; F4-E148 HydrophobicContact CE1-CB 3.58Å; F4-E148 HydrophobicContact CE1-CG 3.5Å; F4-E148 HydrophobicContact CZ-CB 3.73Å; F4-E148 HydrophobicContact CZ-CG 3.42Å; F4-E148 VanDerWaalsContact CZ-CG 3.42Å
5S91.8Very high86.5Confident15 Ų1547.3 Ų47.311%0.10529%0.287CS..EExtended strand (participates in β ladder)trans-79.7133.7171.7-60.90000110L21 G147 E148S5-L21 CarbonylContact C-O 3.59Å; S5-L21 VanDerWaalsContact CA-O 3.23Å; S5-L21 WeakPolarHBondContact CA-O 3.48Å; S5-G147 WeakPolarHBondContact O-CA 3.43Å; S5-G147 PolarHBondContact O-N 3.16Å; S5-E148 PolarHBondContact O-N 3.48Å
6V95.1Very high87.2Confident6 Ų644.3 Ų44.34%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-125134.2178.8-177.80000108.9F4 V8 I20 L21 I23 E148 L150F4-V6 HydrophobicContact CD1-CG2 3.37Å; F4-V6 HydrophobicContact CE1-CG2 3.49Å; F4-V6 VanDerWaalsContact CE1-CG2 3.49Å; V6-V8 HydrophobicContact CG1-CG2 4.3Å; V6-I20 WeakPolarHBondContact O-CA 3.44Å; V6-L21 PolarHBondContact N-O 3.32Å; V6-L21 PolarHBondContact O-N 3.44Å; V6-I23 HydrophobicContact CB-CD1 4.4Å; V6-I23 HydrophobicContact CG2-CD1 3.63Å; V6-I23 HydrophobicContact CG2-CG1 4.29Å; V6-E148 WeakPolarHBondContact CA-O 3.32Å; V6-E148 HydrophobicContact CG1-CB 4.32Å; V6-E148 HydrophobicContact CG2-CB 4.41Å; V6-L150 HydrophobicContact CG1-CD1 3.72Å; V6-L150 HydrophobicContact CG1-CG 3.77Å
7A97Very high87.8Confident0 Ų045 Ų450%027%0.271CS..EExtended strand (participates in β ladder)trans-99.5127.9166.200000109.2I18 S19 I20 V146 E148 V149 L150 F169A7-I18 HydrophobicContact CB-CD1 4.25Å; A7-S19 CarbonylContact C-O 3.57Å; A7-S19 WeakPolarHBondContact CA-O 3.44Å; A7-I20 HydrophobicContact CB-CD1 3.64Å; A7-V146 HydrophobicContact CB-CG1 3.7Å; A7-E148 PolarHBondContact N-O 2.7Å; A7-V149 HydrophobicContact CB-CG1 4.37Å; A7-V149 HydrophobicContact CB-CG2 4.35Å; A7-V149 CarbonylContact O-C 3.54Å; A7-V149 WeakPolarHBondContact O-CA 3.16Å; A7-L150 PolarHBondContact O-N 3.17Å; A7-F169 HydrophobicContact CB-CD1 4.26Å; A7-F169 HydrophobicContact CB-CE1 3.52Å; A7-F169 HydrophobicContact CB-CE2 4.31Å; A7-F169 HydrophobicContact CB-CZ 3.56Å
8V97.3Very high88.4Confident38 Ų3842.5 Ų42.523%0.2326%0.256CS..EExtended strand (participates in β ladder)trans-106.6110.2172179.50000107.6V6 I18 S19 L21 L150 V152V6-V8 HydrophobicContact CG1-CG2 4.3Å; V8-I18 WeakPolarHBondContact O-CA 3.43Å; V8-I18 WeakPolarHBondContact O-CD1 3.47Å; V8-S19 PolarHBondContact N-O 2.98Å; V8-S19 PolarHBondContact O-N 3.41Å; V8-S19 VanDerWaalsContact O-N 3.08Å; V8-L21 HydrophobicContact CB-CD1 4.26Å; V8-L21 HydrophobicContact CG2-CD1 3.61Å; V8-L150 HydrophobicContact CG2-CB 4.42Å; V8-L150 HydrophobicContact CG2-CD1 4.29Å; V8-V152 HydrophobicContact CG1-CG2 3.95Å
9Y97.9Very high88.9Confident0 Ų041.6 Ų41.60%025%0.252CS..EExtended strand (participates in β ladder)trans-100.4106.2175.3-176.5-75000107.9L11 F16 T128 L150 L151 V152 T156 V161 V165Y9-L11 HydrophobicContact CD1-CB 4.41Å; Y9-L11 HydrophobicContact CE1-CB 3.8Å; Y9-L11 HydrophobicContact CE1-CD2 4.4Å; Y9-F16 HydrophobicContact CD1-CE2 4.16Å; Y9-F16 AromaticContact CD2-CE2 3.71Å; Y9-F16 HydrophobicContact CD2-CE2 3.71Å; Y9-F16 HydrophobicContact CD2-CZ 4.05Å; Y9-F16 HydrophobicContact CE1-CD2 4.35Å; Y9-F16 AromaticContact CE1-CE2 3.86Å; Y9-F16 HydrophobicContact CE1-CE2 3.86Å; Y9-F16 HydrophobicContact CE2-CD2 4.48Å; Y9-F16 AromaticContact CE2-CE2 3.38Å; Y9-F16 HydrophobicContact CE2-CE2 3.38Å; Y9-F16 AromaticContact CE2-CZ 3.63Å; Y9-F16 HydrophobicContact CE2-CZ 3.63Å; Y9-F16 HydrophobicContact CG-CE2 4.09Å; Y9-F16 AromaticContact CZ-CE2 3.46Å; Y9-F16 VanDerWaalsContact CZ-CE2 3.46Å; Y9-T128 WeakPolarHBondContact OH-CB 3.4Å; Y9-T128 VanDerWaalsContact OH-CG2 3.3Å; Y9-T128 WeakPolarHBondContact OH-CG2 3.43Å; Y9-T128 PolarHBondContact OH-OG1 3.32Å; Y9-L150 PolarHBondContact N-O 3.28Å; Y9-L151 HydrophobicContact CD1-CD2 4.14Å; Y9-L151 HydrophobicContact CG-CD2 4.36Å; Y9-V152 PolarHBondContact O-N 3.14Å; Y9-T156 HydrophobicContact CD1-CG2 3.87Å; Y9-T156 HydrophobicContact CE1-CG2 4.08Å; Y9-V161 HydrophobicContact CE1-CG1 3.79Å; Y9-V165 HydrophobicContact CD1-CG2 4.02Å; Y9-V165 HydrophobicContact CD2-CG2 3.64Å; Y9-V165 HydrophobicContact CE1-CG2 3.99Å; Y9-V165 HydrophobicContact CE2-CG2 3.6Å; Y9-V165 HydrophobicContact CG-CG2 3.85Å
10D98.1Very high89.3Confident34 Ų3439.6 Ų39.618%0.18224%0.239CC..EExtended strand (participates in β ladder)trans-107.6113.2179.9-167.6-13.3000110.1F16 D17 V152D10-F16 CarbonylContact O-C 3.56Å; D10-F16 WeakPolarHBondContact O-CA 3.44Å; D10-F16 VanDerWaalsContact O-CD2 3.27Å; D10-F16 WeakPolarHBondContact O-CD2 3.45Å; D10-D17 HydrophobicContact CB-CB 4.34Å; D10-D17 PolarHBondContact N-O 3.19Å; D10-D17 PolarHBondContact O-N 3.3Å; D10-V152 VanDerWaalsContact CA-O 3.32Å; D10-V152 WeakPolarHBondContact CA-O 3.42Å; D10-V152 HydrophobicContact CB-CB 4.03Å; D10-V152 HydrophobicContact CB-CG1 4.38Å; D10-V152 WeakPolarHBondContact OD2-CG1 3.48Å
11L98.3Very high89.6Confident0 Ų038.8 Ų38.80%023%0.234CC..EExtended strand (participates in β ladder)trans-123.697.3173.8-172.867.8000108.8Y9 F16 L39 F44 T128 V152 G153 M155 T156 V161Y9-L11 HydrophobicContact CD1-CB 4.41Å; Y9-L11 HydrophobicContact CE1-CB 3.8Å; Y9-L11 HydrophobicContact CE1-CD2 4.4Å; L11-F16 HydrophobicContact CB-CD2 4.28Å; L11-F16 HydrophobicContact CD1-CB 3.64Å; L11-F16 HydrophobicContact CD1-CD2 3.86Å; L11-F16 HydrophobicContact CD1-CG 4.03Å; L11-L39 HydrophobicContact CD1-CG 4.5Å; L11-F44 HydrophobicContact CD2-CE2 4.4Å; L11-F44 HydrophobicContact CD2-CZ 4.4Å; L11-T128 HydrophobicContact CD1-CG2 4.42Å; L11-V152 PolarHBondContact N-O 3.26Å; L11-G153 CarbonylContact O-C 3.57Å; L11-G153 VanDerWaalsContact O-C 3.3Å; L11-G153 WeakPolarHBondContact O-CA 3.37Å; L11-M155 HydrophobicContact CB-CB 4.34Å; L11-M155 HydrophobicContact CD2-CB 3.89Å; L11-M155 HydrophobicContact CD2-CG 3.56Å; L11-M155 HydrophobicContact CG-CB 3.78Å; L11-M155 HydrophobicContact CG-CG 3.88Å; L11-M155 VanDerWaalsContact O-CB 3.27Å; L11-M155 WeakPolarHBondContact O-CB 3.35Å; L11-M155 PolarHBondContact O-N 3.41Å; L11-T156 HydrophobicContact CB-CG2 3.85Å; L11-V161 HydrophobicContact CD2-CG1 4.26Å; L11-V161 HydrophobicContact CD2-CG2 4.22Å
12G97.5Very high92Very high15 Ų1532 Ų3216%0.15520%0.2CC..  trans-91.5-155.2-175.100000113.8T15 G41G12-T15 PolarHBondContact N-O 2.98Å; G12-G41 PolarHBondContact O-N 2.89Å
13G97.1Very high93.9Very high47 Ų4728.1 Ų28.149%0.48517%0.174SC..SBendtrans-73.9-34.3176.700000113.7G40 G41 E42G13-G40 CarbonylContact O-C 3.48Å; G13-G40 VanDerWaalsContact O-C 3.24Å; G13-G40 WeakPolarHBondContact O-CA 3.48Å; G13-G41 PolarHBondContact O-N 2.67Å; G13-E42 WeakPolarHBondContact O-CG 3.38Å; G13-E42 PolarHBondContact O-N 3.38Å
14G96.4Very high95.3Very high34 Ų3426.8 Ų26.835%0.35117%0.166SC..SBendtrans-133.7-13.2-176.400000116.1L39G14-L39 CarbonylContact C-O 3.55Å; G14-L39 CarbonylContact O-C 3.57Å; G14-L39 PolarHBondContact O-N 3.08Å; G14-L39 VanDerWaalsContact O-N 3.13Å
15T96.9Very high95.5Very high56 Ų5632.4 Ų32.434%0.34419%0.19SC..  trans-129.8155-177.8680000112.2G12 D17 L39G12-T15 PolarHBondContact N-O 2.98Å; T15-D17 PolarHBondContact OG1-OD2 3.13Å; T15-L39 CarbonylContact C-O 3.53Å; T15-L39 WeakPolarHBondContact CA-O 3.38Å; T15-L39 PolarHBondContact N-O 3.26Å
16F98.3Very high95.1Very high0 Ų032.7 Ų32.70%020%0.196CC..EExtended strand (participates in β ladder)trans-124125.1171.6170.3-122.3000109.4Y9 D10 L11 I18 G35 D36 L39 T128 P131Y9-F16 HydrophobicContact CD1-CE2 4.16Å; Y9-F16 AromaticContact CD2-CE2 3.71Å; Y9-F16 HydrophobicContact CD2-CE2 3.71Å; Y9-F16 HydrophobicContact CD2-CZ 4.05Å; Y9-F16 HydrophobicContact CE1-CD2 4.35Å; Y9-F16 AromaticContact CE1-CE2 3.86Å; Y9-F16 HydrophobicContact CE1-CE2 3.86Å; Y9-F16 HydrophobicContact CE2-CD2 4.48Å; Y9-F16 AromaticContact CE2-CE2 3.38Å; Y9-F16 HydrophobicContact CE2-CE2 3.38Å; Y9-F16 AromaticContact CE2-CZ 3.63Å; Y9-F16 HydrophobicContact CE2-CZ 3.63Å; Y9-F16 HydrophobicContact CG-CE2 4.09Å; Y9-F16 AromaticContact CZ-CE2 3.46Å; Y9-F16 VanDerWaalsContact CZ-CE2 3.46Å; D10-F16 CarbonylContact O-C 3.56Å; D10-F16 WeakPolarHBondContact O-CA 3.44Å; D10-F16 VanDerWaalsContact O-CD2 3.27Å; D10-F16 WeakPolarHBondContact O-CD2 3.45Å; L11-F16 HydrophobicContact CB-CD2 4.28Å; L11-F16 HydrophobicContact CD1-CB 3.64Å; L11-F16 HydrophobicContact CD1-CD2 3.86Å; L11-F16 HydrophobicContact CD1-CG 4.03Å; F16-I18 HydrophobicContact CE1-CG2 4.36Å; F16-I18 HydrophobicContact CZ-CB 4.09Å; F16-I18 HydrophobicContact CZ-CG2 4.07Å; F16-G35 CarbonylContact O-C 3.56Å; F16-G35 WeakPolarHBondContact O-CA 3.42Å; F16-D36 PolarHBondContact N-O 3.47Å; F16-D36 PolarHBondContact O-N 3.24Å; F16-L39 HydrophobicContact CB-CB 4.21Å; F16-L39 HydrophobicContact CB-CD2 4.07Å; F16-L39 HydrophobicContact CB-CG 4.19Å; F16-L39 HydrophobicContact CD1-CD2 4.27Å; F16-L39 HydrophobicContact CG-CD2 4.4Å; F16-L39 PolarHBondContact N-O 3.4Å; F16-L39 VanDerWaalsContact N-O 3.07Å; F16-T128 HydrophobicContact CD1-CG2 3.98Å; F16-T128 HydrophobicContact CD2-CG2 4.16Å; F16-T128 VanDerWaalsContact CE1-CA 3.42Å; F16-T128 HydrophobicContact CE1-CG2 4.06Å; F16-T128 WeakPolarHBondContact CE1-O 3.4Å; F16-T128 HydrophobicContact CE2-CG2 4.3Å; F16-T128 HydrophobicContact CG-CG2 4.04Å; F16-T128 HydrophobicContact CZ-CG2 4.24Å; F16-P131 HydrophobicContact CD1-CG 4.36Å; F16-P131 HydrophobicContact CE1-CB 3.75Å; F16-P131 HydrophobicContact CE1-CG 3.87Å
17D98Very high94.8Very high56 Ų5634.7 Ų34.730%0.29921%0.208SC..EExtended strand (participates in β ladder)trans-131142.1178.6-63.2-76.9000110.3D10 T15D10-D17 HydrophobicContact CB-CB 4.34Å; D10-D17 PolarHBondContact N-O 3.19Å; D10-D17 PolarHBondContact O-N 3.3Å; T15-D17 PolarHBondContact OG1-OD2 3.13Å
18I98.1Very high94.6Very high0 Ų038 Ų380%022%0.222CC..EExtended strand (participates in β ladder)trans-133.9121.2172.7176.159.8000109.4A7 V8 F16 T33 N34 P131 C132 A135 F169A7-I18 HydrophobicContact CB-CD1 4.25Å; V8-I18 WeakPolarHBondContact O-CA 3.43Å; V8-I18 WeakPolarHBondContact O-CD1 3.47Å; F16-I18 HydrophobicContact CE1-CG2 4.36Å; F16-I18 HydrophobicContact CZ-CB 4.09Å; F16-I18 HydrophobicContact CZ-CG2 4.07Å; I18-T33 CarbonylContact O-C 3.48Å; I18-T33 WeakPolarHBondContact O-CA 3.46Å; I18-N34 HydrophobicContact CG2-CB 4.03Å; I18-N34 WeakPolarHBondContact CG2-O 3.34Å; I18-N34 PolarHBondContact N-O 3.04Å; I18-N34 PolarHBondContact O-N 3.45Å; I18-P131 HydrophobicContact CG2-CB 3.89Å; I18-C132 HydrophobicContact CG1-CB 4.35Å; I18-A135 HydrophobicContact CG1-CB 4.1Å; I18-A135 HydrophobicContact CG2-CB 4.14Å; I18-F169 HydrophobicContact CD1-CZ 4.14Å
19S97.2Very high94.4Very high26 Ų2638.5 Ų38.518%0.18222%0.222CC..EExtended strand (participates in β ladder)trans-123.1136.6177.1-64.90000110.7A7 V8 S32 T33A7-S19 CarbonylContact C-O 3.57Å; A7-S19 WeakPolarHBondContact CA-O 3.44Å; V8-S19 PolarHBondContact N-O 2.98Å; V8-S19 PolarHBondContact O-N 3.41Å; V8-S19 VanDerWaalsContact O-N 3.08Å; S19-S32 WeakPolarHBondContact CA-O 3.49Å; S19-T33 PolarHBondContact OG-OG1 3.36Å; S19-T33 VanDerWaalsContact OG-OG1 3.13Å
20I97.1Very high94.2Very high0 Ų039 Ų390%023%0.225CC..EExtended strand (participates in β ladder)trans-103.1119.7169.4-53.9-58.7000107.3V6 A7 K31 S32 A135 I136 A139 V141 F169V6-I20 WeakPolarHBondContact O-CA 3.44Å; A7-I20 HydrophobicContact CB-CD1 3.64Å; I20-K31 PolarHBondContact O-N 3.12Å; I20-S32 PolarHBondContact N-O 2.77Å; I20-S32 PolarHBondContact O-N 3.2Å; I20-A135 HydrophobicContact CG1-CB 4.08Å; I20-I136 HydrophobicContact CD1-CG1 4.23Å; I20-A139 HydrophobicContact CB-CB 3.81Å; I20-A139 HydrophobicContact CG1-CB 4.2Å; I20-A139 HydrophobicContact CG2-CB 3.71Å; I20-V141 HydrophobicContact CG2-CG2 4.13Å; I20-F169 HydrophobicContact CD1-CE1 4.22Å; I20-F169 HydrophobicContact CD1-CZ 4.5Å
21L95.4Very high94.1Very high24 Ų2440.3 Ų40.313%0.12623%0.229CC..EExtended strand (participates in β ladder)trans-114.7151.2-178.9-59.493.6000110.5S5 V6 V8 E29 V30S5-L21 CarbonylContact C-O 3.59Å; S5-L21 VanDerWaalsContact CA-O 3.23Å; S5-L21 WeakPolarHBondContact CA-O 3.48Å; V6-L21 PolarHBondContact N-O 3.32Å; V6-L21 PolarHBondContact O-N 3.44Å; V8-L21 HydrophobicContact CB-CD1 4.26Å; V8-L21 HydrophobicContact CG2-CD1 3.61Å; L21-E29 CarbonylContact C-O 3.55Å; L21-E29 VanDerWaalsContact CA-O 3.26Å; L21-E29 WeakPolarHBondContact CA-O 3.49Å; L21-V30 HydrophobicContact CD2-CG2 3.98Å; L21-V30 HydrophobicContact CG-CG2 4.23Å
22E93.7Very high94Very high33 Ų3340.3 Ų40.315%0.15423%0.229CC..EExtended strand (participates in β ladder)trans-114.3123.1169-166.6177.9159.300108.7I3 Q24 E29 K31I3-E22 VanDerWaalsContact CG2-CD 3.46Å; I3-E22 HydrophobicContact CG2-CG 3.41Å; I3-E22 VanDerWaalsContact CG2-CG 3.41Å; I3-E22 WeakPolarHBondContact CG2-OE1 3.38Å; E22-Q24 HydrophobicContact CG-CG 4.43Å; E22-Q24 PolarHBondContact OE1-NE2 2.94Å; E22-E29 PolarHBondContact N-O 2.67Å; E22-E29 PolarHBondContact O-N 2.77Å; E22-K31 HydrophobicContact CB-CD 3.88Å; E22-K31 HydrophobicContact CB-CG 3.89Å; E22-K31 IonicContact OE2-NZ 3.71Å
23I91.1Very high93.9Very high50 Ų5040.4 Ų40.426%0.25623%0.227SC..EExtended strand (participates in β ladder)trans-110.2121.4-177.6-54.1177.3000108.9F4 V6 V27 F28F4-I23 PolarHBondContact N-O 2.99Å; F4-I23 PolarHBondContact O-N 3.37Å; V6-I23 HydrophobicContact CB-CD1 4.4Å; V6-I23 HydrophobicContact CG2-CD1 3.63Å; V6-I23 HydrophobicContact CG2-CG1 4.29Å; I23-V27 WeakPolarHBondContact CA-O 3.41Å; I23-F28 HydrophobicContact CD1-CD1 3.91Å; I23-F28 HydrophobicContact CD1-CE1 3.79Å; I23-F28 HydrophobicContact CG1-CD1 3.84Å; I23-F28 HydrophobicContact CG1-CE1 4.11Å; I23-F28 HydrophobicContact CG2-CD1 4.23Å; I23-F28 HydrophobicContact CG2-CE1 4Å; I23-F28 HydrophobicContact CG2-CZ 4.28Å
24Q88.2Confident93.8Very high61 Ų6139.7 Ų39.729%0.28521%0.212SC..EExtended strand (participates in β ladder)trans-138.7109.2177.8-60.9-16922.100111.4I3 E22 G26 V27I3-Q24 HydrophobicContact CG1-CG 4.27Å; E22-Q24 HydrophobicContact CG-CG 4.43Å; E22-Q24 PolarHBondContact OE1-NE2 2.94Å; Q24-G26 PolarHBondContact O-N 3.3Å; Q24-V27 PolarHBondContact N-O 3.34Å; Q24-V27 WeakPolarHBondContact O-CA 3.47Å; Q24-V27 VanDerWaalsContact O-CB 3.28Å; Q24-V27 WeakPolarHBondContact O-CB 3.35Å; Q24-V27 PolarHBondContact O-N 3.38Å
25K85.3Confident93.8Very high185 Ų18539.6 Ų39.680%0.80421%0.211SC*.THydrogen-bonded Turntrans46.152.1171.1-62.6-178.1177.3178.60114.1V27K25-V27 VanDerWaalsContact C-N 3.26Å; K25-V27 PolarHBondContact O-N 3.2Å
26G83.4Confident93.7Very high22 Ų2239 Ų3923%0.22721%0.205CC..THydrogen-bonded Turntrans83.7-7.8-179.600000114.8Q24 F28 D200 V201 L202Q24-G26 PolarHBondContact O-N 3.3Å; G26-F28 WeakPolarHBondContact O-CD2 3.45Å; G26-D200 WeakPolarHBondContact CA-O 3.37Å; G26-V201 WeakPolarHBondContact O-CA 3.38Å; G26-L202 PolarHBondContact O-N 2.9Å
27V89.3Confident93.4Very high47 Ų4743.3 Ų43.329%0.28523%0.232SC..EExtended strand (participates in β ladder)trans-86.8125.2168.4-172.30000109.2I23 Q24 K25 L202 L204I23-V27 WeakPolarHBondContact CA-O 3.41Å; Q24-V27 PolarHBondContact N-O 3.34Å; Q24-V27 WeakPolarHBondContact O-CA 3.47Å; Q24-V27 VanDerWaalsContact O-CB 3.28Å; Q24-V27 WeakPolarHBondContact O-CB 3.35Å; Q24-V27 PolarHBondContact O-N 3.38Å; K25-V27 VanDerWaalsContact C-N 3.26Å; K25-V27 PolarHBondContact O-N 3.2Å; V27-L202 CarbonylContact C-O 3.3Å; V27-L202 WeakPolarHBondContact CA-O 3.49Å; V27-L202 HydrophobicContact CG1-CD2 4.4Å; V27-L202 HydrophobicContact CG2-CB 4.36Å; V27-L202 HydrophobicContact CG2-CD2 4.42Å; V27-L204 HydrophobicContact CG1-CD1 4.14Å
28F92Very high93.2Very high70 Ų7047.5 Ų47.531%0.30725%0.249SC..EExtended strand (participates in β ladder)trans-113.1107.7174.7-65.3-102.3000107.5I23 G26 V201 L202 L203 L204I23-F28 HydrophobicContact CD1-CD1 3.91Å; I23-F28 HydrophobicContact CD1-CE1 3.79Å; I23-F28 HydrophobicContact CG1-CD1 3.84Å; I23-F28 HydrophobicContact CG1-CE1 4.11Å; I23-F28 HydrophobicContact CG2-CD1 4.23Å; I23-F28 HydrophobicContact CG2-CE1 4Å; I23-F28 HydrophobicContact CG2-CZ 4.28Å; G26-F28 WeakPolarHBondContact O-CD2 3.45Å; F28-V201 HydrophobicContact CD2-CG1 4.01Å; F28-V201 HydrophobicContact CE2-CG1 4Å; F28-L202 PolarHBondContact N-O 3.15Å; F28-L203 HydrophobicContact CB-CD1 3.94Å; F28-L203 WeakPolarHBondContact O-CA 3.41Å; F28-L204 PolarHBondContact O-N 3.38Å
29E92.9Very high93.2Very high48 Ų4847.5 Ų47.522%0.22425%0.249CC..EExtended strand (participates in β ladder)trans-110.4119.8-179.9-171.9-174.2157.700109.8L21 E22 K31 L204L21-E29 CarbonylContact C-O 3.55Å; L21-E29 VanDerWaalsContact CA-O 3.26Å; L21-E29 WeakPolarHBondContact CA-O 3.49Å; E22-E29 PolarHBondContact N-O 2.67Å; E22-E29 PolarHBondContact O-N 2.77Å; E29-K31 HydrophobicContact CB-CD 4.46Å; E29-K31 HydrophobicContact CG-CD 4.01Å; E29-K31 PolarHBondContact O-N 3.27Å; E29-K31 IonicContact OE1-NZ 3.73Å; E29-K31 PolarHBondContact OE1-NZ 3.41Å; E29-K31 IonicContact OE2-NZ 2.66Å; E29-L204 WeakPolarHBondContact CA-O 3.25Å; E29-L204 HydrophobicContact CB-CB 4.27Å; E29-L204 HydrophobicContact CB-CD1 4.5Å; E29-L204 HydrophobicContact CG-CB 4.03Å; E29-L204 HydrophobicContact CG-CD1 4.29Å
30V94.4Very high93.3Very high10 Ų1046.2 Ų46.26%0.06124%0.241CC..EExtended strand (participates in β ladder)trans-75.1116.3170.6-175.20000107.6L21 L204 V206L21-V30 HydrophobicContact CD2-CG2 3.98Å; L21-V30 HydrophobicContact CG-CG2 4.23Å; V30-L204 PolarHBondContact N-O 3.05Å; V30-V206 HydrophobicContact CB-CG1 4.29Å; V30-V206 HydrophobicContact CB-CG2 4.17Å; V30-V206 HydrophobicContact CG1-CG2 3.66Å; V30-V206 WeakPolarHBondContact O-CG1 3.35Å
31K94.8Very high93.3Very high62 Ų6246.5 Ų46.527%0.2724%0.243SC..EExtended strand (participates in β ladder)trans-85.4-37.2178.8-56.5-53.7-60.6-169.50111.4I20 E22 E29 A139I20-K31 PolarHBondContact O-N 3.12Å; E22-K31 HydrophobicContact CB-CD 3.88Å; E22-K31 HydrophobicContact CB-CG 3.89Å; E22-K31 IonicContact OE2-NZ 3.71Å; E29-K31 HydrophobicContact CB-CD 4.46Å; E29-K31 HydrophobicContact CG-CD 4.01Å; E29-K31 PolarHBondContact O-N 3.27Å; E29-K31 IonicContact OE1-NZ 3.73Å; E29-K31 PolarHBondContact OE1-NZ 3.41Å; E29-K31 IonicContact OE2-NZ 2.66Å; K31-A139 HydrophobicContact CB-CB 3.73Å
32S96.1Very high93.4Very high0 Ų051.5 Ų51.50%027%0.266CS..EExtended strand (participates in β ladder)trans-157.3155.2175.268.50000111.4S19 I20 A135 A139 N227S19-S32 WeakPolarHBondContact CA-O 3.49Å; I20-S32 PolarHBondContact N-O 2.77Å; I20-S32 PolarHBondContact O-N 3.2Å; S32-A135 WeakPolarHBondContact CB-O 3.41Å; S32-A135 VanDerWaalsContact OG-C 3.26Å; S32-A135 WeakPolarHBondContact OG-CA 3.37Å; S32-A135 PolarHBondContact OG-O 3.14Å; S32-A139 WeakPolarHBondContact OG-CB 3.44Å; S32-N227 WeakPolarHBondContact CA-OD1 3.39Å
33T96.3Very high93.7Very high18 Ų1852.2 Ų52.211%0.1127%0.271CS..EExtended strand (participates in β ladder)trans-139.2149171-172.50000111I18 S19 V206 P208 N227I18-T33 CarbonylContact O-C 3.48Å; I18-T33 WeakPolarHBondContact O-CA 3.46Å; S19-T33 PolarHBondContact OG-OG1 3.36Å; S19-T33 VanDerWaalsContact OG-OG1 3.13Å; T33-V206 HydrophobicContact CG2-CG2 3.91Å; T33-P208 HydrophobicContact CG2-CB 3.65Å; T33-N227 PolarHBondContact N-OD1 3.26Å; T33-N227 PolarHBondContact O-OD1 2.97Å
34N95.2Very high94Very high32 Ų3249.9 Ų49.917%0.17126%0.259CS..EExtended strand (participates in β ladder)trans-153170.5172.7-143.9-95.2000109.1I18 P131 A135I18-N34 HydrophobicContact CG2-CB 4.03Å; I18-N34 WeakPolarHBondContact CG2-O 3.34Å; I18-N34 PolarHBondContact N-O 3.04Å; I18-N34 PolarHBondContact O-N 3.45Å; N34-P131 HydrophobicContact CB-CB 4.01Å; N34-P131 WeakPolarHBondContact OD1-CB 3.15Å; N34-A135 HydrophobicContact CB-CB 4.28Å
35G95.4Very high94.5Very high31 Ų3147.9 Ų47.932%0.3225%0.25SS..EExtended strand (participates in β ladder)trans171.1-171.3-178.800000113.9F16F16-G35 CarbonylContact O-C 3.56Å; F16-G35 WeakPolarHBondContact O-CA 3.42Å
36D94.5Very high95.1Very high43 Ų4341.3 Ų41.323%0.2322%0.224CC..EExtended strand (participates in β ladder)trans-142.7110.3173.4-172.3-15.3000108.8F16 H38 L39 R127F16-D36 PolarHBondContact N-O 3.47Å; F16-D36 PolarHBondContact O-N 3.24Å; D36-H38 PolarHBondContact O-N 2.98Å; D36-H38 PolarHBondContact OD1-N 2.64Å; D36-L39 HydrophobicContact CB-CB 3.81Å; D36-L39 HydrophobicContact CB-CD2 4.25Å; D36-R127 IonicContact OD1-NH2 3.95Å; D36-R127 IonicContact OD2-CZ 2.8Å; D36-R127 IonicContact OD2-NE 2.99Å; D36-R127 IonicContact OD2-NH2 3.55Å; D36-R127 PolarHBondContact OD2-NH2 2.96Å
37T92.9Very high95.8Very high92 Ų9241.3 Ų41.356%0.56422%0.222SC*.THydrogen-bonded Turntrans-75.72.8-177.8570000113.6
38H94.6Very high96.2Very high143 Ų14339.1 Ų39.166%0.66221%0.208SC*.THydrogen-bonded Turntrans-133.648.1177.7-56.476.6000109.8D36 R127D36-H38 PolarHBondContact O-N 2.98Å; D36-H38 PolarHBondContact OD1-N 2.64Å; H38-R127 PolarHBondContact O-NH2 3.24Å; H38-R127 VanDerWaalsContact O-NH2 3.08Å
39L98.1Very high96.5Very high0 Ų035.9 Ų35.90%019%0.194CC..  trans-148.2110.4177.4177.959.4000109.7L11 G14 T15 F16 D36 D43 L124 R127 T128L11-L39 HydrophobicContact CD1-CG 4.5Å; G14-L39 CarbonylContact C-O 3.55Å; G14-L39 CarbonylContact O-C 3.57Å; G14-L39 PolarHBondContact O-N 3.08Å; G14-L39 VanDerWaalsContact O-N 3.13Å; T15-L39 CarbonylContact C-O 3.53Å; T15-L39 WeakPolarHBondContact CA-O 3.38Å; T15-L39 PolarHBondContact N-O 3.26Å; F16-L39 HydrophobicContact CB-CB 4.21Å; F16-L39 HydrophobicContact CB-CD2 4.07Å; F16-L39 HydrophobicContact CB-CG 4.19Å; F16-L39 HydrophobicContact CD1-CD2 4.27Å; F16-L39 HydrophobicContact CG-CD2 4.4Å; F16-L39 PolarHBondContact N-O 3.4Å; F16-L39 VanDerWaalsContact N-O 3.07Å; D36-L39 HydrophobicContact CB-CB 3.81Å; D36-L39 HydrophobicContact CB-CD2 4.25Å; L39-D43 VanDerWaalsContact CA-OD2 3.22Å; L39-D43 WeakPolarHBondContact CA-OD2 3.47Å; L39-L124 HydrophobicContact CD1-CB 4.2Å; L39-L124 HydrophobicContact CD1-CD2 4.11Å; L39-R127 HydrophobicContact CD2-CB 3.8Å; L39-T128 HydrophobicContact CD2-CG2 3.8Å
40G98.1Very high96.8Very high0 Ų037.8 Ų37.80%021%0.206CC..SBendtrans-163.8-172.1177.100000113.6G13 E42 D43 F44G13-G40 CarbonylContact O-C 3.48Å; G13-G40 VanDerWaalsContact O-C 3.24Å; G13-G40 WeakPolarHBondContact O-CA 3.48Å; G40-E42 PolarHBondContact O-N 3.48Å; G40-D43 PolarHBondContact N-OD2 3.01Å; G40-D43 WeakPolarHBondContact O-CB 3.31Å; G40-D43 PolarHBondContact O-N 3.35Å; G40-F44 WeakPolarHBondContact O-CD2 3.42Å
41G98.2Very high96.9Very high5 Ų539 Ų395%0.05221%0.21CC..Hα-helixtrans-51.3-26.9-179.700000115.5G12 G13 F44 D45 K82G12-G41 PolarHBondContact O-N 2.89Å; G13-G41 PolarHBondContact O-N 2.67Å; G41-F44 WeakPolarHBondContact O-CB 3.49Å; G41-F44 PolarHBondContact O-N 2.76Å; G41-D45 VanDerWaalsContact O-CG 3.28Å; G41-D45 PolarHBondContact O-N 2.99Å; G41-K82 PolarHBondContact O-NZ 3.04Å
42E97.8Very high97.1Very high129 Ų12936.1 Ų36.160%0.60320%0.197SC*.Hα-helixtrans-65.9-37.9173.7-72.4-173.4-178.700112.8G13 G40 F44 D45 N46G13-E42 WeakPolarHBondContact O-CG 3.38Å; G13-E42 PolarHBondContact O-N 3.38Å; G40-E42 PolarHBondContact O-N 3.48Å; E42-F44 VanDerWaalsContact C-N 3.28Å; E42-F44 PolarHBondContact O-N 3.12Å; E42-D45 PolarHBondContact O-N 3.33Å; E42-N46 WeakPolarHBondContact O-CB 3.33Å; E42-N46 PolarHBondContact O-N 3.23Å; E42-N46 PolarHBondContact O-ND2 3.4Å
43D98.5Very high97.2Very high49 Ų4936.5 Ų36.526%0.26220%0.2SC..Hα-helixtrans-65.3-37.8176-61.6-70.7000111.1L39 G40 N46 A47 L124L39-D43 VanDerWaalsContact CA-OD2 3.22Å; L39-D43 WeakPolarHBondContact CA-OD2 3.47Å; G40-D43 PolarHBondContact N-OD2 3.01Å; G40-D43 WeakPolarHBondContact O-CB 3.31Å; G40-D43 PolarHBondContact O-N 3.35Å; D43-N46 PolarHBondContact O-N 3.1Å; D43-A47 PolarHBondContact O-N 3.03Å; D43-L124 HydrophobicContact CB-CD1 3.79Å; D43-L124 HydrophobicContact CB-CD2 4.14Å
44F98.6Very high97.2Very high0 Ų041 Ų410%022%0.22CC..Hα-helixtrans-64.5-42.9175.7-79.5-104.4000111.2L11 G40 G41 E42 A47 L48 K82 Y117 T121 L124 I125 M155 M158L11-F44 HydrophobicContact CD2-CE2 4.4Å; L11-F44 HydrophobicContact CD2-CZ 4.4Å; G40-F44 WeakPolarHBondContact O-CD2 3.42Å; G41-F44 WeakPolarHBondContact O-CB 3.49Å; G41-F44 PolarHBondContact O-N 2.76Å; E42-F44 VanDerWaalsContact C-N 3.28Å; E42-F44 PolarHBondContact O-N 3.12Å; F44-A47 PolarHBondContact O-N 3.47Å; F44-L48 PolarHBondContact O-N 3.46Å; F44-K82 HydrophobicContact CB-CD 4.31Å; F44-Y117 WeakPolarHBondContact CB-OH 3.27Å; F44-Y117 WeakPolarHBondContact CD1-OH 3.31Å; F44-T121 HydrophobicContact CB-CG2 4.42Å; F44-T121 HydrophobicContact CD1-CG2 3.68Å; F44-T121 HydrophobicContact CE1-CG2 4.33Å; F44-T121 HydrophobicContact CG-CG2 4.27Å; F44-L124 HydrophobicContact CD2-CB 4.36Å; F44-L124 HydrophobicContact CD2-CD1 3.84Å; F44-L124 HydrophobicContact CE1-CB 4.44Å; F44-L124 HydrophobicContact CE2-CB 3.82Å; F44-L124 HydrophobicContact CE2-CD1 4.15Å; F44-L124 HydrophobicContact CG-CD1 4.04Å; F44-L124 HydrophobicContact CZ-CB 3.86Å; F44-I125 HydrophobicContact CE1-CD1 4.3Å; F44-I125 HydrophobicContact CE1-CG1 3.78Å; F44-I125 HydrophobicContact CZ-CG1 3.83Å; F44-M155 HydrophobicContact CB-SD 3.94Å; F44-M155 HydrophobicContact CD1-CE 3.74Å; F44-M155 HydrophobicContact CD1-SD 3.97Å; F44-M155 HydrophobicContact CD2-CG 4.14Å; F44-M155 HydrophobicContact CD2-SD 4.01Å; F44-M155 HydrophobicContact CE1-CE 4.03Å; F44-M155 HydrophobicContact CE1-SD 4.47Å; F44-M155 HydrophobicContact CE2-CG 4.14Å; F44-M155 HydrophobicContact CG-CE 4.14Å; F44-M155 HydrophobicContact CG-CG 4.4Å; F44-M155 HydrophobicContact CG-SD 3.72Å; F44-M155 HydrophobicContact CZ-CG 4.39Å; F44-M158 HydrophobicContact CD1-SD 4.21Å; F44-M158 HydrophobicContact CE1-SD 3.87Å
45D98.4Very high97.2Very high19 Ų1941.6 Ų41.610%0.10222%0.222CC..Hα-helixtrans-63.6-45.7173.2-66-28.2000111.1G41 E42 A47 L48 V49 E79 K82G41-D45 VanDerWaalsContact O-CG 3.28Å; G41-D45 PolarHBondContact O-N 2.99Å; E42-D45 PolarHBondContact O-N 3.33Å; D45-A47 VanDerWaalsContact C-N 3.32Å; D45-A47 PolarHBondContact O-N 3.01Å; D45-L48 PolarHBondContact O-N 3.21Å; D45-L48 VanDerWaalsContact O-N 3.11Å; D45-V49 VanDerWaalsContact O-CG2 3.3Å; D45-V49 WeakPolarHBondContact O-CG2 3.27Å; D45-V49 PolarHBondContact O-N 2.9Å; D45-E79 WeakPolarHBondContact OD1-CA 3.34Å; D45-K82 WeakPolarHBondContact OD1-CD 2.94Å; D45-K82 WeakPolarHBondContact OD1-CE 3.24Å; D45-K82 IonicContact OD1-NZ 2.74Å; D45-K82 PolarHBondContact OD1-NZ 3.16Å; D45-K82 IonicContact OD2-NZ 2.8Å; D45-K82 PolarHBondContact OD2-NZ 3.31Å
46N97.9Very high97.3Very high47 Ų4740.2 Ų40.225%0.25121%0.207SC..Hα-helixtrans-60.2-39.5178.8-75.7-39.7000112.3E42 D43 L48 V49 N50 R75E42-N46 WeakPolarHBondContact O-CB 3.33Å; E42-N46 PolarHBondContact O-N 3.23Å; E42-N46 PolarHBondContact O-ND2 3.4Å; D43-N46 PolarHBondContact O-N 3.1Å; N46-L48 VanDerWaalsContact C-N 3.32Å; N46-L48 PolarHBondContact O-N 2.94Å; N46-V49 PolarHBondContact O-N 2.88Å; N46-N50 WeakPolarHBondContact O-CB 3.35Å; N46-N50 PolarHBondContact O-N 3.18Å; N46-N50 PolarHBondContact O-ND2 2.9Å; N46-N50 VanDerWaalsContact O-ND2 3.17Å; N46-R75 PolarHBondContact OD1-NH1 2.77Å
47A98.3Very high97.3Very high23 Ų2343.1 Ų43.119%0.1922%0.217CC..Hα-helixtrans-60-42.9174.800000111.7D43 F44 D45 Y51 T121 L124D43-A47 PolarHBondContact O-N 3.03Å; F44-A47 PolarHBondContact O-N 3.47Å; D45-A47 VanDerWaalsContact C-N 3.32Å; D45-A47 PolarHBondContact O-N 3.01Å; A47-Y51 PolarHBondContact O-N 3.39Å; A47-T121 HydrophobicContact CB-CG2 3.97Å; A47-L124 HydrophobicContact CB-CD1 4.46Å
48L98.3Very high97.4Very high0 Ų045.5 Ų45.50%022%0.222CC..Hα-helixtrans-70.9-42.8176.6179.455.4000112.2F44 D45 N46 N50 Y51 L52 A78 A81 L112 Y117 L120F44-L48 PolarHBondContact O-N 3.46Å; D45-L48 PolarHBondContact O-N 3.21Å; D45-L48 VanDerWaalsContact O-N 3.11Å; N46-L48 VanDerWaalsContact C-N 3.32Å; N46-L48 PolarHBondContact O-N 2.94Å; L48-N50 VanDerWaalsContact C-N 3.32Å; L48-N50 PolarHBondContact O-N 3.34Å; L48-Y51 HydrophobicContact CD1-CD1 3.99Å; L48-Y51 WeakPolarHBondContact O-CB 3.37Å; L48-Y51 PolarHBondContact O-N 3.33Å; L48-Y51 VanDerWaalsContact O-N 3.16Å; L48-L52 HydrophobicContact CD1-CD1 4.19Å; L48-L52 HydrophobicContact CD1-CD2 4.44Å; L48-L52 HydrophobicContact CD1-CG 4.06Å; L48-L52 HydrophobicContact CG-CD1 3.99Å; L48-L52 HydrophobicContact CG-CG 4.34Å; L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.46Å; L48-L52 PolarHBondContact O-N 3.47Å; L48-A78 HydrophobicContact CB-CB 4.37Å; L48-A78 HydrophobicContact CD2-CB 3.95Å; L48-A78 WeakPolarHBondContact CD2-O 3.19Å; L48-A78 HydrophobicContact CG-CB 4Å; L48-A81 HydrophobicContact CD2-CB 4.19Å; L48-L112 HydrophobicContact CD1-CD1 4.2Å; L48-L112 HydrophobicContact CD1-CD2 3.58Å; L48-L112 HydrophobicContact CD2-CD2 3.79Å; L48-L112 HydrophobicContact CG-CD2 4.37Å; L48-Y117 HydrophobicContact CB-CD2 4.4Å; L48-Y117 HydrophobicContact CB-CE2 4.2Å; L48-Y117 HydrophobicContact CD2-CD2 4.3Å; L48-Y117 HydrophobicContact CD2-CE2 4.36Å; L48-L120 HydrophobicContact CD1-CD1 4.22Å
49V98.3Very high97.4Very high2 Ų243.8 Ų43.81%0.01221%0.214CC..Hα-helixtrans-56.9-46.9175.41690000110.7D45 N46 Y51 L52 V53 M71 L74 R75 A78D45-V49 VanDerWaalsContact O-CG2 3.3Å; D45-V49 WeakPolarHBondContact O-CG2 3.27Å; D45-V49 PolarHBondContact O-N 2.9Å; N46-V49 PolarHBondContact O-N 2.88Å; V49-Y51 VanDerWaalsContact C-N 3.31Å; V49-Y51 PolarHBondContact O-N 2.73Å; V49-L52 PolarHBondContact O-N 3.13Å; V49-L52 VanDerWaalsContact O-N 3.15Å; V49-V53 HydrophobicContact CG1-CG2 4.25Å; V49-V53 WeakPolarHBondContact O-CG2 3.49Å; V49-V53 PolarHBondContact O-N 3.22Å; V49-M71 HydrophobicContact CG1-CE 3.62Å; V49-L74 HydrophobicContact CG1-CD2 4.22Å; V49-R75 HydrophobicContact CG2-CG 4.01Å; V49-A78 HydrophobicContact CG2-CB 3.65Å
50N97.7Very high97.1Very high89 Ų8947 Ų4748%0.47623%0.229SC..Hα-helixtrans-59-42.5177.4-74.7-28.4000112N46 L48 Q54N46-N50 WeakPolarHBondContact O-CB 3.35Å; N46-N50 PolarHBondContact O-N 3.18Å; N46-N50 PolarHBondContact O-ND2 2.9Å; N46-N50 VanDerWaalsContact O-ND2 3.17Å; L48-N50 VanDerWaalsContact C-N 3.32Å; L48-N50 PolarHBondContact O-N 3.34Å; N50-Q54 VanDerWaalsContact O-CG 3.26Å; N50-Q54 WeakPolarHBondContact O-CG 3.49Å; N50-Q54 PolarHBondContact O-N 2.86Å; N50-Q54 VanDerWaalsContact O-N 3.13Å
51Y97.9Very high96.9Very high36 Ų3650 Ų5014%0.14126%0.26CS..Hα-helixtrans-60.7-48.1173.5168.1-102.5000111.8A47 L48 V49 Q54 Q55 V110 L112 L120A47-Y51 PolarHBondContact O-N 3.39Å; L48-Y51 HydrophobicContact CD1-CD1 3.99Å; L48-Y51 WeakPolarHBondContact O-CB 3.37Å; L48-Y51 PolarHBondContact O-N 3.33Å; L48-Y51 VanDerWaalsContact O-N 3.16Å; V49-Y51 VanDerWaalsContact C-N 3.31Å; V49-Y51 PolarHBondContact O-N 2.73Å; Y51-Q54 PolarHBondContact O-N 2.96Å; Y51-Q55 HydrophobicContact CD1-CG 4.35Å; Y51-Q55 HydrophobicContact CD2-CG 4.12Å; Y51-Q55 HydrophobicContact CE1-CG 3.9Å; Y51-Q55 HydrophobicContact CE2-CG 3.65Å; Y51-Q55 HydrophobicContact CG-CG 4.46Å; Y51-Q55 WeakPolarHBondContact O-CG 3.49Å; Y51-Q55 PolarHBondContact O-N 2.99Å; Y51-V110 HydrophobicContact CE1-CG1 4.44Å; Y51-L112 HydrophobicContact CE1-CD1 4.18Å; Y51-L120 HydrophobicContact CD1-CD1 3.93Å; Y51-L120 HydrophobicContact CD2-CD1 4.2Å; Y51-L120 HydrophobicContact CD2-CD2 4.04Å; Y51-L120 HydrophobicContact CG-CD1 3.68Å; Y51-L120 HydrophobicContact CG-CD2 4.19Å
52L97.9Very high96.7Very high0 Ų051.2 Ų51.20%027%0.265CS..Hα-helixtrans-66.2-39.9-177.8-64.8169.7000112.7L48 V49 Q54 Q55 F56 L74 A78 I93 M108 V110L48-L52 HydrophobicContact CD1-CD1 4.19Å; L48-L52 HydrophobicContact CD1-CD2 4.44Å; L48-L52 HydrophobicContact CD1-CG 4.06Å; L48-L52 HydrophobicContact CG-CD1 3.99Å; L48-L52 HydrophobicContact CG-CG 4.34Å; L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.46Å; L48-L52 PolarHBondContact O-N 3.47Å; V49-L52 PolarHBondContact O-N 3.13Å; V49-L52 VanDerWaalsContact O-N 3.15Å; L52-Q54 VanDerWaalsContact C-N 3.32Å; L52-Q54 PolarHBondContact O-N 3.4Å; L52-Q55 PolarHBondContact O-N 3.23Å; L52-F56 WeakPolarHBondContact O-CB 3.44Å; L52-F56 PolarHBondContact O-N 3.41Å; L52-L74 HydrophobicContact CB-CD1 3.9Å; L52-L74 HydrophobicContact CB-CD2 4.27Å; L52-L74 HydrophobicContact CB-CG 4.43Å; L52-L74 HydrophobicContact CD1-CD1 3.78Å; L52-L74 HydrophobicContact CD1-CG 4.41Å; L52-L74 HydrophobicContact CG-CD1 4.46Å; L52-A78 HydrophobicContact CD1-CB 4.18Å; L52-I93 HydrophobicContact CD1-CD1 3.8Å; L52-I93 HydrophobicContact CD2-CD1 3.74Å; L52-I93 HydrophobicContact CG-CD1 4.36Å; L52-M108 HydrophobicContact CB-CE 4.09Å; L52-M108 HydrophobicContact CB-SD 4.29Å; L52-M108 HydrophobicContact CD2-SD 4.24Å; L52-V110 HydrophobicContact CD2-CB 4.21Å; L52-V110 HydrophobicContact CD2-CG1 4.06Å; L52-V110 HydrophobicContact CD2-CG2 4.28Å
53V97.6Very high96.5Very high9 Ų947.1 Ų47.16%0.05525%0.247CC..Hα-helixtrans-59.3-45.2173.5168.80000110.4V49 F56 K57 L64 L65 M71 L74V49-V53 HydrophobicContact CG1-CG2 4.25Å; V49-V53 WeakPolarHBondContact O-CG2 3.49Å; V49-V53 PolarHBondContact O-N 3.22Å; V53-F56 PolarHBondContact O-N 2.92Å; V53-K57 WeakPolarHBondContact O-CB 3.49Å; V53-K57 PolarHBondContact O-N 3.11Å; V53-L64 HydrophobicContact CG2-CB 4.47Å; V53-L65 HydrophobicContact CG1-CD1 4.37Å; V53-L65 HydrophobicContact CG1-CD2 4.12Å; V53-L65 HydrophobicContact CG1-CG 3.88Å; V53-L65 HydrophobicContact CG2-CD2 4.2Å; V53-M71 HydrophobicContact CG2-CE 4.17Å; V53-M71 HydrophobicContact CG2-SD 3.88Å; V53-L74 HydrophobicContact CG2-CD2 3.56Å
54Q97.1Very high96.4Very high113 Ų11344.8 Ų44.853%0.52824%0.235SC..Hα-helixtrans-65.1-43.3178.1-71.7175.11400112.1N50 Y51 L52 K57 Q58N50-Q54 VanDerWaalsContact O-CG 3.26Å; N50-Q54 WeakPolarHBondContact O-CG 3.49Å; N50-Q54 PolarHBondContact O-N 2.86Å; N50-Q54 VanDerWaalsContact O-N 3.13Å; Y51-Q54 PolarHBondContact O-N 2.96Å; L52-Q54 VanDerWaalsContact C-N 3.32Å; L52-Q54 PolarHBondContact O-N 3.4Å; Q54-K57 PolarHBondContact O-N 3.45Å; Q54-Q58 WeakPolarHBondContact O-CB 3.4Å; Q54-Q58 VanDerWaalsContact O-CG 3.25Å; Q54-Q58 WeakPolarHBondContact O-CG 3.3Å; Q54-Q58 PolarHBondContact O-N 2.91Å
55Q95.5Very high96.2Very high44 Ų4449.9 Ų49.921%0.20626%0.261CS..Hα-helixtrans-60.5-47.2175.5-70.6-58.7-7900111.3Y51 L52 K57 Q58 E59Y51-Q55 HydrophobicContact CD1-CG 4.35Å; Y51-Q55 HydrophobicContact CD2-CG 4.12Å; Y51-Q55 HydrophobicContact CE1-CG 3.9Å; Y51-Q55 HydrophobicContact CE2-CG 3.65Å; Y51-Q55 HydrophobicContact CG-CG 4.46Å; Y51-Q55 WeakPolarHBondContact O-CG 3.49Å; Y51-Q55 PolarHBondContact O-N 2.99Å; L52-Q55 PolarHBondContact O-N 3.23Å; Q55-K57 VanDerWaalsContact C-N 3.33Å; Q55-K57 PolarHBondContact O-N 3.43Å; Q55-Q58 PolarHBondContact O-N 2.86Å; Q55-Q58 VanDerWaalsContact O-N 3.15Å; Q55-E59 WeakPolarHBondContact O-CG 3.34Å; Q55-E59 PolarHBondContact O-N 3.4Å
56F96.2Very high95.9Very high2 Ų257.1 Ų57.11%0.00929%0.292CS..Hα-helixtrans-62-41.1178.7-162.2-99.2000112.5L52 V53 Q58 E59 Q60 I62 L64 L98 T99 K106 M108L52-F56 WeakPolarHBondContact O-CB 3.44Å; L52-F56 PolarHBondContact O-N 3.41Å; V53-F56 PolarHBondContact O-N 2.92Å; F56-Q58 VanDerWaalsContact C-N 3.32Å; F56-Q58 PolarHBondContact O-N 3.31Å; F56-E59 PolarHBondContact O-N 2.97Å; F56-Q60 HydrophobicContact CD1-CB 4.21Å; F56-Q60 HydrophobicContact CD1-CG 4.41Å; F56-Q60 HydrophobicContact CD2-CG 4.06Å; F56-Q60 HydrophobicContact CE1-CB 3.99Å; F56-Q60 HydrophobicContact CE1-CG 4.16Å; F56-Q60 HydrophobicContact CE2-CB 4.5Å; F56-Q60 HydrophobicContact CE2-CG 3.78Å; F56-Q60 HydrophobicContact CG-CG 4.39Å; F56-Q60 HydrophobicContact CZ-CB 4.16Å; F56-Q60 HydrophobicContact CZ-CG 3.85Å; F56-Q60 WeakPolarHBondContact O-CA 3.46Å; F56-Q60 WeakPolarHBondContact O-CB 3.12Å; F56-Q60 PolarHBondContact O-N 3.12Å; F56-I62 HydrophobicContact CD1-CB 4.22Å; F56-I62 HydrophobicContact CE1-CB 3.85Å; F56-I62 HydrophobicContact CE1-CD1 4.3Å; F56-I62 HydrophobicContact CE1-CG2 4.14Å; F56-L64 HydrophobicContact CB-CD1 3.84Å; F56-L64 HydrophobicContact CB-CG 4.41Å; F56-L64 HydrophobicContact CD1-CD1 3.63Å; F56-L64 HydrophobicContact CD1-CD2 3.75Å; F56-L64 HydrophobicContact CD1-CG 3.48Å; F56-L64 VanDerWaalsContact CD1-CG 3.48Å; F56-L64 HydrophobicContact CD2-CD1 4.3Å; F56-L64 HydrophobicContact CE1-CD1 4.19Å; F56-L64 HydrophobicContact CE1-CD2 3.57Å; F56-L64 HydrophobicContact CE1-CG 3.89Å; F56-L64 HydrophobicContact CG-CD1 3.66Å; F56-L64 HydrophobicContact CG-CG 4.07Å; F56-L64 HydrophobicContact CZ-CD2 4.27Å; F56-L98 HydrophobicContact CD2-CD2 4.4Å; F56-L98 HydrophobicContact CE2-CD2 4.12Å; F56-L98 HydrophobicContact CZ-CD2 4.43Å; F56-T99 HydrophobicContact CE1-CG2 3.9Å; F56-T99 HydrophobicContact CZ-CG2 3.98Å; F56-K106 HydrophobicContact CZ-CB 3.88Å; F56-M108 HydrophobicContact CB-CE 3.64Å; F56-M108 HydrophobicContact CD2-CB 3.95Å; F56-M108 HydrophobicContact CD2-CE 3.64Å; F56-M108 HydrophobicContact CD2-CG 4.35Å; F56-M108 HydrophobicContact CE2-CB 4.01Å; F56-M108 HydrophobicContact CG-CE 3.95Å
57K96.1Very high95.8Very high104 Ų10457 Ų5745%0.45229%0.291SS..Hα-helixtrans-65.1-36.6176.7-172.1170.1-177.1167.30112V53 Q54 Q55 G61 I62 D63V53-K57 WeakPolarHBondContact O-CB 3.49Å; V53-K57 PolarHBondContact O-N 3.11Å; Q54-K57 PolarHBondContact O-N 3.45Å; Q55-K57 VanDerWaalsContact C-N 3.33Å; Q55-K57 PolarHBondContact O-N 3.43Å; K57-G61 WeakPolarHBondContact O-CA 3.49Å; K57-G61 PolarHBondContact O-N 3.32Å; K57-I62 WeakPolarHBondContact CA-O 3.17Å; K57-D63 HydrophobicContact CD-CB 4.45Å; K57-D63 IonicContact NZ-OD2 3.31Å; K57-D63 PolarHBondContact NZ-OD2 3.46Å
58Q95.2Very high95.7Very high141 Ų14161 Ų6166%0.65932%0.316SS*.Hα-helixtrans-68.9-42.8175.6-73.6171.310.300112.1Q54 Q55 F56Q54-Q58 WeakPolarHBondContact O-CB 3.4Å; Q54-Q58 VanDerWaalsContact O-CG 3.25Å; Q54-Q58 WeakPolarHBondContact O-CG 3.3Å; Q54-Q58 PolarHBondContact O-N 2.91Å; Q55-Q58 PolarHBondContact O-N 2.86Å; Q55-Q58 VanDerWaalsContact O-N 3.15Å; F56-Q58 VanDerWaalsContact C-N 3.32Å; F56-Q58 PolarHBondContact O-N 3.31Å
59E93.4Very high95.5Very high107 Ų10768 Ų6850%0.535%0.35SS..Hα-helixtrans-81.2-41.4-175.8-69.4178.4179.800113.6Q55 F56Q55-E59 WeakPolarHBondContact O-CG 3.34Å; Q55-E59 PolarHBondContact O-N 3.4Å; F56-E59 PolarHBondContact O-N 2.97Å
60Q92.9Very high95.4Very high68 Ų6868 Ų6832%0.31835%0.35SS..Hα-helixtrans-108.7-10.7-172.4-56.1-59.1-37.100113.3F56 I62F56-Q60 HydrophobicContact CD1-CB 4.21Å; F56-Q60 HydrophobicContact CD1-CG 4.41Å; F56-Q60 HydrophobicContact CD2-CG 4.06Å; F56-Q60 HydrophobicContact CE1-CB 3.99Å; F56-Q60 HydrophobicContact CE1-CG 4.16Å; F56-Q60 HydrophobicContact CE2-CB 4.5Å; F56-Q60 HydrophobicContact CE2-CG 3.78Å; F56-Q60 HydrophobicContact CG-CG 4.39Å; F56-Q60 HydrophobicContact CZ-CB 4.16Å; F56-Q60 HydrophobicContact CZ-CG 3.85Å; F56-Q60 WeakPolarHBondContact O-CA 3.46Å; F56-Q60 WeakPolarHBondContact O-CB 3.12Å; F56-Q60 PolarHBondContact O-N 3.12Å; Q60-I62 HydrophobicContact CB-CD1 4.33Å; Q60-I62 HydrophobicContact CB-CG1 4.49Å; Q60-I62 PolarHBondContact O-N 2.87Å
61G93.5Very high95.4Very high63 Ų6364.8 Ų64.865%0.64933%0.333SS*.  trans72.18.4-176.900000114.6K57K57-G61 WeakPolarHBondContact O-CA 3.49Å; K57-G61 PolarHBondContact O-N 3.32Å
62I93.4Very high95.4Very high31 Ų3167.9 Ų67.916%0.15935%0.349CS..  trans-105.9134.8-173.6-62.8165.9000110.5F56 K57 Q60 L64 T99 D101 K106F56-I62 HydrophobicContact CD1-CB 4.22Å; F56-I62 HydrophobicContact CE1-CB 3.85Å; F56-I62 HydrophobicContact CE1-CD1 4.3Å; F56-I62 HydrophobicContact CE1-CG2 4.14Å; K57-I62 WeakPolarHBondContact CA-O 3.17Å; Q60-I62 HydrophobicContact CB-CD1 4.33Å; Q60-I62 HydrophobicContact CB-CG1 4.49Å; Q60-I62 PolarHBondContact O-N 2.87Å; I62-L64 PolarHBondContact O-N 2.98Å; I62-T99 HydrophobicContact CD1-CG2 4.17Å; I62-T99 HydrophobicContact CG2-CG2 4.09Å; I62-D101 HydrophobicContact CD1-CB 3.87Å; I62-K106 HydrophobicContact CD1-CB 4.45Å; I62-K106 HydrophobicContact CD1-CD 4.4Å; I62-K106 HydrophobicContact CD1-CG 3.67Å
63D94.7Very high95.4Very high42 Ų4271.7 Ų71.723%0.22536%0.363CS..  trans-92.798.1176.1-160.5-25.5000110.9K57 L65 K66K57-D63 HydrophobicContact CD-CB 4.45Å; K57-D63 IonicContact NZ-OD2 3.31Å; K57-D63 PolarHBondContact NZ-OD2 3.46Å; D63-L65 PolarHBondContact O-N 2.91Å; D63-L65 WeakPolarHBondContact OD1-CB 3.4Å; D63-L65 WeakPolarHBondContact OD1-CG 3.35Å; D63-L65 PolarHBondContact OD1-N 3.19Å; D63-K66 PolarHBondContact O-N 3.3Å
64L95.4Very high95.4Very high1 Ų171.3 Ų71.31%0.00536%0.36CS..G310 helixtrans-63.8-19.6-178.7-68178.5000113.5V53 F56 I62 K66 D67 A70 M71 L74 L98 T99 M108V53-L64 HydrophobicContact CG2-CB 4.47Å; F56-L64 HydrophobicContact CB-CD1 3.84Å; F56-L64 HydrophobicContact CB-CG 4.41Å; F56-L64 HydrophobicContact CD1-CD1 3.63Å; F56-L64 HydrophobicContact CD1-CD2 3.75Å; F56-L64 HydrophobicContact CD1-CG 3.48Å; F56-L64 VanDerWaalsContact CD1-CG 3.48Å; F56-L64 HydrophobicContact CD2-CD1 4.3Å; F56-L64 HydrophobicContact CE1-CD1 4.19Å; F56-L64 HydrophobicContact CE1-CD2 3.57Å; F56-L64 HydrophobicContact CE1-CG 3.89Å; F56-L64 HydrophobicContact CG-CD1 3.66Å; F56-L64 HydrophobicContact CG-CG 4.07Å; F56-L64 HydrophobicContact CZ-CD2 4.27Å; I62-L64 PolarHBondContact O-N 2.98Å; L64-K66 PolarHBondContact O-N 3.5Å; L64-D67 PolarHBondContact O-N 2.89Å; L64-A70 HydrophobicContact CD2-CB 4.05Å; L64-M71 HydrophobicContact CB-SD 4.13Å; L64-M71 VanDerWaalsContact O-CG 3.28Å; L64-M71 WeakPolarHBondContact O-CG 3.3Å; L64-L74 HydrophobicContact CD1-CD2 4.1Å; L64-L98 HydrophobicContact CD1-CD2 3.73Å; L64-L98 HydrophobicContact CD2-CD2 4.28Å; L64-L98 HydrophobicContact CD2-CG 4.34Å; L64-T99 HydrophobicContact CD2-CG2 3.86Å; L64-M108 HydrophobicContact CD1-CE 4.03Å
65L94.7Very high95.4Very high106 Ų10671 Ų7156%0.55535%0.354SS*.G310 helixtrans-61.6-17.6179.3-61.4175.5000112.9V53 D63 M71V53-L65 HydrophobicContact CG1-CD1 4.37Å; V53-L65 HydrophobicContact CG1-CD2 4.12Å; V53-L65 HydrophobicContact CG1-CG 3.88Å; V53-L65 HydrophobicContact CG2-CD2 4.2Å; D63-L65 PolarHBondContact O-N 2.91Å; D63-L65 WeakPolarHBondContact OD1-CB 3.4Å; D63-L65 WeakPolarHBondContact OD1-CG 3.35Å; D63-L65 PolarHBondContact OD1-N 3.19Å; L65-M71 HydrophobicContact CD2-CE 3.94Å; L65-M71 HydrophobicContact CD2-SD 4.03Å
66K92.8Very high95.5Very high172 Ų17273.9 Ų73.975%0.74837%0.368SS*.G310 helixtrans-88.9-5.3178.5-60.4-177.7-179179.60113.7D63 L64D63-K66 PolarHBondContact O-N 3.3Å; L64-K66 PolarHBondContact O-N 3.5Å
67D94.7Very high95.6Very high43 Ų4374.7 Ų74.723%0.2338%0.375CS..  trans-118.195.6-177-175.1-20.2000109.7L64 M69 A70 M71 T99L64-D67 PolarHBondContact O-N 2.89Å; D67-M69 VanDerWaalsContact C-N 3.26Å; D67-M69 PolarHBondContact O-N 3.34Å; D67-M69 PolarHBondContact OD1-N 3.47Å; D67-A70 HydrophobicContact CB-CB 3.81Å; D67-A70 VanDerWaalsContact CG-CB 3.41Å; D67-A70 PolarHBondContact O-N 3.12Å; D67-A70 PolarHBondContact OD1-N 2.88Å; D67-M71 WeakPolarHBondContact O-CG 3.48Å; D67-M71 PolarHBondContact O-N 3.24Å; D67-T99 PolarHBondContact OD2-OG1 3.44Å
68P95.5Very high95.7Very high108 Ų10869.7 Ų69.770%0.70135%0.353SS*.Hα-helixtrans-59.1-34.5-176.6-25.934.8000113.8M71 Q72P68-M71 PolarHBondContact O-N 3.39Å; P68-Q72 PolarHBondContact O-N 3.41Å
69M95.2Very high95.9Very high147 Ų14767.7 Ų67.772%0.72434%0.344SS*.Hα-helixtrans-74.4-39.5-178.7-172.7155.160.600111.1D67 M71 Q72 R73D67-M69 VanDerWaalsContact C-N 3.26Å; D67-M69 PolarHBondContact O-N 3.34Å; D67-M69 PolarHBondContact OD1-N 3.47Å; M69-M71 VanDerWaalsContact C-N 3.33Å; M69-Q72 PolarHBondContact O-N 3.05Å; M69-R73 PolarHBondContact O-N 3.13Å
70A96.5Very high96.1Very high2 Ų269 Ų692%0.01735%0.348CS..Hα-helixtrans-63.2-39.9171.200000111.8L64 D67 R73 L74 L98L64-A70 HydrophobicContact CD2-CB 4.05Å; D67-A70 HydrophobicContact CB-CB 3.81Å; D67-A70 VanDerWaalsContact CG-CB 3.41Å; D67-A70 PolarHBondContact O-N 3.12Å; D67-A70 PolarHBondContact OD1-N 2.88Å; A70-R73 PolarHBondContact O-N 2.94Å; A70-L74 VanDerWaalsContact O-CB 3.32Å; A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 PolarHBondContact O-N 2.99Å; A70-L98 HydrophobicContact CB-CD1 3.9Å; A70-L98 HydrophobicContact CB-CG 4.18Å; A70-L98 WeakPolarHBondContact CB-O 3.4Å
71M97.6Very high96.4Very high21 Ų2165.9 Ų65.910%0.10333%0.334CS..Hα-helixtrans-64.4-40.5177.6-74.3-58.8-60.100113V49 V53 L64 L65 D67 P68 M69 L74 R75V49-M71 HydrophobicContact CG1-CE 3.62Å; V53-M71 HydrophobicContact CG2-CE 4.17Å; V53-M71 HydrophobicContact CG2-SD 3.88Å; L64-M71 HydrophobicContact CB-SD 4.13Å; L64-M71 VanDerWaalsContact O-CG 3.28Å; L64-M71 WeakPolarHBondContact O-CG 3.3Å; L65-M71 HydrophobicContact CD2-CE 3.94Å; L65-M71 HydrophobicContact CD2-SD 4.03Å; D67-M71 WeakPolarHBondContact O-CG 3.48Å; D67-M71 PolarHBondContact O-N 3.24Å; P68-M71 PolarHBondContact O-N 3.39Å; M69-M71 VanDerWaalsContact C-N 3.33Å; M71-L74 PolarHBondContact O-N 3.45Å; M71-L74 HydrophobicContact SD-CD2 4.23Å; M71-R75 WeakPolarHBondContact O-CG 3.4Å; M71-R75 PolarHBondContact O-N 2.95Å
72Q97.1Very high96.6Very high102 Ų10263.7 Ų63.748%0.47731%0.306SS..Hα-helixtrans-59.9-49175.6-179.258.831.700111.1P68 M69 L74 R75 E76P68-Q72 PolarHBondContact O-N 3.41Å; M69-Q72 PolarHBondContact O-N 3.05Å; Q72-L74 VanDerWaalsContact C-N 3.28Å; Q72-L74 PolarHBondContact O-N 2.93Å; Q72-R75 PolarHBondContact O-N 3.08Å; Q72-E76 PolarHBondContact NE2-OE1 3.28Å; Q72-E76 PolarHBondContact O-N 2.87Å; Q72-E76 VanDerWaalsContact O-N 3.1Å
73R97.6Very high96.8Very high80 Ų8065.6 Ų65.630%0.30232%0.322SS..Hα-helixtrans-62.9-35.9177.2-67.6178.764.3-157.1-1.5112.5M69 A70 A77 P96 Y97 L98M69-R73 PolarHBondContact O-N 3.13Å; A70-R73 PolarHBondContact O-N 2.94Å; R73-A77 WeakPolarHBondContact O-CB 3.15Å; R73-A77 PolarHBondContact O-N 3.3Å; R73-A77 VanDerWaalsContact O-N 3.08Å; R73-P96 PolarHBondContact NH1-O 2.88Å; R73-P96 PolarHBondContact NH2-O 2.72Å; R73-Y97 PolarHBondContact NH1-O 3.45Å; R73-L98 HydrophobicContact CB-CD1 4.31Å
74L97.8Very high97Very high0 Ų067 Ų670%033%0.327CS..Hα-helixtrans-67.3-39.8177.1-171.664.4000111.8V49 L52 V53 L64 A70 M71 Q72 A77 A78 L95 M108V49-L74 HydrophobicContact CG1-CD2 4.22Å; L52-L74 HydrophobicContact CB-CD1 3.9Å; L52-L74 HydrophobicContact CB-CD2 4.27Å; L52-L74 HydrophobicContact CB-CG 4.43Å; L52-L74 HydrophobicContact CD1-CD1 3.78Å; L52-L74 HydrophobicContact CD1-CG 4.41Å; L52-L74 HydrophobicContact CG-CD1 4.46Å; V53-L74 HydrophobicContact CG2-CD2 3.56Å; L64-L74 HydrophobicContact CD1-CD2 4.1Å; A70-L74 VanDerWaalsContact O-CB 3.32Å; A70-L74 WeakPolarHBondContact O-CB 3.42Å; A70-L74 PolarHBondContact O-N 2.99Å; M71-L74 PolarHBondContact O-N 3.45Å; M71-L74 HydrophobicContact SD-CD2 4.23Å; Q72-L74 VanDerWaalsContact C-N 3.28Å; Q72-L74 PolarHBondContact O-N 2.93Å; L74-A77 PolarHBondContact O-N 2.92Å; L74-A78 VanDerWaalsContact O-CB 3.32Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 3.26Å; L74-L95 HydrophobicContact CD1-CD1 3.78Å; L74-M108 HydrophobicContact CD1-CE 3.74Å; L74-M108 HydrophobicContact CD1-SD 3.61Å
75R97.8Very high97.1Very high106 Ų10667 Ų6740%0.433%0.327SS..Hα-helixtrans-62.8-49.6175.6-74.6176.7-178.7-74.3-2.2111.6N46 V49 M71 Q72 A77 A78 E79N46-R75 PolarHBondContact OD1-NH1 2.77Å; V49-R75 HydrophobicContact CG2-CG 4.01Å; M71-R75 WeakPolarHBondContact O-CG 3.4Å; M71-R75 PolarHBondContact O-N 2.95Å; Q72-R75 PolarHBondContact O-N 3.08Å; R75-A77 VanDerWaalsContact C-N 3.29Å; R75-A77 PolarHBondContact O-N 2.92Å; R75-A78 PolarHBondContact O-N 3.48Å; R75-A78 VanDerWaalsContact O-N 3.16Å; R75-E79 PolarHBondContact O-N 3.33Å
76E97.8Very high97.3Very high106 Ų10663.6 Ų63.650%0.49531%0.312SS..Hα-helixtrans-58.3-41.6176.9-70.9170.1-165.200111.9Q72 K80Q72-E76 PolarHBondContact NE2-OE1 3.28Å; Q72-E76 PolarHBondContact O-N 2.87Å; Q72-E76 VanDerWaalsContact O-N 3.1Å; E76-K80 WeakPolarHBondContact O-CB 3.24Å; E76-K80 PolarHBondContact O-N 2.86Å
77A98.2Very high97.5Very high18 Ų1860.1 Ų60.115%0.14931%0.309CS..Hα-helixtrans-70-36.4177.300000113.1R73 L74 R75 A81 I93 L95R73-A77 WeakPolarHBondContact O-CB 3.15Å; R73-A77 PolarHBondContact O-N 3.3Å; R73-A77 VanDerWaalsContact O-N 3.08Å; L74-A77 PolarHBondContact O-N 2.92Å; R75-A77 VanDerWaalsContact C-N 3.29Å; R75-A77 PolarHBondContact O-N 2.92Å; A77-A81 VanDerWaalsContact O-CB 3.29Å; A77-A81 WeakPolarHBondContact O-CB 3.49Å; A77-A81 PolarHBondContact O-N 3.08Å; A77-I93 HydrophobicContact CB-CG2 4.23Å; A77-L95 HydrophobicContact CB-CD1 3.91Å; A77-L95 HydrophobicContact CB-CD2 3.91Å; A77-L95 HydrophobicContact CB-CG 4.12Å
78A98.4Very high97.6Very high0 Ų060.6 Ų60.60%032%0.316CS..Hα-helixtrans-65-46.3175.700000111.2L48 V49 L52 L74 R75 K80 A81 K82L48-A78 HydrophobicContact CB-CB 4.37Å; L48-A78 HydrophobicContact CD2-CB 3.95Å; L48-A78 WeakPolarHBondContact CD2-O 3.19Å; L48-A78 HydrophobicContact CG-CB 4Å; V49-A78 HydrophobicContact CG2-CB 3.65Å; L52-A78 HydrophobicContact CD1-CB 4.18Å; L74-A78 VanDerWaalsContact O-CB 3.32Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 3.26Å; R75-A78 PolarHBondContact O-N 3.48Å; R75-A78 VanDerWaalsContact O-N 3.16Å; A78-K80 PolarHBondContact O-N 3.49Å; A78-A81 PolarHBondContact O-N 3.35Å; A78-K82 PolarHBondContact O-N 3.03Å
79E98.4Very high97.7Very high99 Ų9960.7 Ų60.746%0.46331%0.314SS..Hα-helixtrans-60.3-46.8176.1-177.4-177.1-170.400111.1D45 R75 A81 K82 C83D45-E79 WeakPolarHBondContact OD1-CA 3.34Å; R75-E79 PolarHBondContact O-N 3.33Å; E79-A81 VanDerWaalsContact C-N 3.34Å; E79-A81 PolarHBondContact O-N 2.67Å; E79-K82 WeakPolarHBondContact O-CB 3.47Å; E79-K82 PolarHBondContact O-N 3.34Å; E79-C83 PolarHBondContact O-N 3.34Å; E79-C83 PolarHBondContact O-SG 3.03Å; E79-C83 VanDerWaalsContact O-SG 3.36Å
80K98.2Very high97.9Very high134 Ų13457.2 Ų57.258%0.58330%0.296SS*.Hα-helixtrans-58.1-46.3176.3-177.5175.51751790111.7E76 A78 C83 E84E76-K80 WeakPolarHBondContact O-CB 3.24Å; E76-K80 PolarHBondContact O-N 2.86Å; A78-K80 PolarHBondContact O-N 3.49Å; K80-C83 PolarHBondContact O-N 3.41Å; K80-E84 WeakPolarHBondContact CE-OE1 3.28Å; K80-E84 WeakPolarHBondContact O-CG 3.29Å; K80-E84 PolarHBondContact O-N 2.9Å
81A98.4Very high98Very high3 Ų357.5 Ų57.53%0.02530%0.298CS..Hα-helixtrans-62.6-42.8178.200000112.3L48 A77 A78 E79 C83 E84 L85 T91 I93 L112L48-A81 HydrophobicContact CD2-CB 4.19Å; A77-A81 VanDerWaalsContact O-CB 3.29Å; A77-A81 WeakPolarHBondContact O-CB 3.49Å; A77-A81 PolarHBondContact O-N 3.08Å; A78-A81 PolarHBondContact O-N 3.35Å; E79-A81 VanDerWaalsContact C-N 3.34Å; E79-A81 PolarHBondContact O-N 2.67Å; A81-C83 VanDerWaalsContact C-N 3.34Å; A81-C83 PolarHBondContact O-N 2.97Å; A81-E84 PolarHBondContact O-N 3.28Å; A81-L85 WeakPolarHBondContact O-CB 3.46Å; A81-L85 VanDerWaalsContact O-CG 3.26Å; A81-L85 WeakPolarHBondContact O-CG 3.32Å; A81-L85 PolarHBondContact O-N 2.72Å; A81-T91 HydrophobicContact CB-CG2 3.77Å; A81-I93 HydrophobicContact CB-CD1 3.76Å; A81-I93 HydrophobicContact CB-CG1 3.74Å; A81-L112 HydrophobicContact CB-CD2 4.42Å
82K98.3Very high98Very high17 Ų1760.7 Ų60.77%0.07432%0.315CS..Hα-helixtrans-54.1-50.4172.2162.4-171.779-171.30111G41 F44 D45 A78 E79 L85 S86 Y117 M155G41-K82 PolarHBondContact O-NZ 3.04Å; F44-K82 HydrophobicContact CB-CD 4.31Å; D45-K82 WeakPolarHBondContact OD1-CD 2.94Å; D45-K82 WeakPolarHBondContact OD1-CE 3.24Å; D45-K82 IonicContact OD1-NZ 2.74Å; D45-K82 PolarHBondContact OD1-NZ 3.16Å; D45-K82 IonicContact OD2-NZ 2.8Å; D45-K82 PolarHBondContact OD2-NZ 3.31Å; A78-K82 PolarHBondContact O-N 3.03Å; E79-K82 WeakPolarHBondContact O-CB 3.47Å; E79-K82 PolarHBondContact O-N 3.34Å; K82-L85 PolarHBondContact O-N 2.8Å; K82-S86 PolarHBondContact O-N 2.74Å; K82-S86 PolarHBondContact O-OG 3.21Å; K82-Y117 HydrophobicContact CB-CE1 4.5Å; K82-Y117 HydrophobicContact CB-CE2 4.42Å; K82-Y117 WeakPolarHBondContact CD-OH 3.33Å; K82-Y117 HydrophobicContact CG-CE1 4.18Å; K82-Y117 WeakPolarHBondContact CG-OH 3.25Å; K82-M155 HydrophobicContact CD-CE 4.24Å; K82-M155 HydrophobicContact CD-SD 3.91Å; K82-M155 HydrophobicContact CG-CE 4.48Å
83C98.1Very high98Very high71 Ų7156.2 Ų56.248%0.4829%0.294SS..Hα-helixtrans-63.8-44.9-178.6-70.30000111.6E79 K80 A81 L85 S86E79-C83 PolarHBondContact O-N 3.34Å; E79-C83 PolarHBondContact O-SG 3.03Å; E79-C83 VanDerWaalsContact O-SG 3.36Å; K80-C83 PolarHBondContact O-N 3.41Å; A81-C83 VanDerWaalsContact C-N 3.34Å; A81-C83 PolarHBondContact O-N 2.97Å; C83-L85 VanDerWaalsContact C-N 3.32Å; C83-L85 PolarHBondContact O-N 2.97Å; C83-S86 VanDerWaalsContact O-CB 3.3Å; C83-S86 WeakPolarHBondContact O-CB 3.41Å; C83-S86 PolarHBondContact O-N 3.49Å; C83-S86 VanDerWaalsContact O-N 3.1Å
84E98.1Very high98Very high70 Ų7057.1 Ų57.133%0.32731%0.306SS..Hα-helixtrans-61.4-38.5176.2-74.2179.8-171.500112.7K80 A81 S86 S87 S88 T91K80-E84 WeakPolarHBondContact CE-OE1 3.28Å; K80-E84 WeakPolarHBondContact O-CG 3.29Å; K80-E84 PolarHBondContact O-N 2.9Å; A81-E84 PolarHBondContact O-N 3.28Å; E84-S86 PolarHBondContact O-N 3.45Å; E84-S87 PolarHBondContact O-N 2.88Å; E84-S87 VanDerWaalsContact O-N 3.11Å; E84-S87 PolarHBondContact O-OG 2.67Å; E84-S88 WeakPolarHBondContact O-CB 3.41Å; E84-S88 PolarHBondContact O-N 3.35Å; E84-T91 WeakPolarHBondContact OE2-CB 3.39Å; E84-T91 PolarHBondContact OE2-OG1 2.87Å
85L98.5Very high98Very high3 Ų357.9 Ų57.92%0.01631%0.309CS..Hα-helixtrans-67.7-12.3177.3-73.2176.9000113.8A81 K82 C83 S87 S88 T91 L112 R114 Y117A81-L85 WeakPolarHBondContact O-CB 3.46Å; A81-L85 VanDerWaalsContact O-CG 3.26Å; A81-L85 WeakPolarHBondContact O-CG 3.32Å; A81-L85 PolarHBondContact O-N 2.72Å; K82-L85 PolarHBondContact O-N 2.8Å; C83-L85 VanDerWaalsContact C-N 3.32Å; C83-L85 PolarHBondContact O-N 2.97Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S88 CarbonylContact C-O 2.85Å; L85-S88 WeakPolarHBondContact CA-O 3.37Å; L85-T91 HydrophobicContact CD1-CG2 4.13Å; L85-T91 HydrophobicContact CD2-CG2 3.9Å; L85-T91 HydrophobicContact CG-CG2 3.73Å; L85-L112 HydrophobicContact CD1-CD2 3.59Å; L85-L112 HydrophobicContact CD1-CG 3.89Å; L85-R114 HydrophobicContact CD2-CB 4.17Å; L85-R114 PolarHBondContact O-NE 3.48Å; L85-R114 PolarHBondContact O-NH2 3.14Å; L85-R114 VanDerWaalsContact O-NH2 3.14Å; L85-Y117 HydrophobicContact CD1-CD1 4.28Å; L85-Y117 HydrophobicContact CD1-CG 4Å
86S97.8Very high98Very high33 Ų3355.5 Ų55.523%0.23131%0.308CS..THydrogen-bonded Turntrans-72.2-26172.4-61.60000112.3K82 C83 E84 P159K82-S86 PolarHBondContact O-N 2.74Å; K82-S86 PolarHBondContact O-OG 3.21Å; C83-S86 VanDerWaalsContact O-CB 3.3Å; C83-S86 WeakPolarHBondContact O-CB 3.41Å; C83-S86 PolarHBondContact O-N 3.49Å; C83-S86 VanDerWaalsContact O-N 3.1Å; E84-S86 PolarHBondContact O-N 3.45Å; S86-P159 WeakPolarHBondContact O-CG 3.3Å
87S97.2Very high97.8Very high100 Ų10058.1 Ų58.170%0.69931%0.314SS*.THydrogen-bonded Turntrans-108.6-32.5175.861.90000113E84 L85 R114E84-S87 PolarHBondContact O-N 2.88Å; E84-S87 VanDerWaalsContact O-N 3.11Å; E84-S87 PolarHBondContact O-OG 2.67Å; L85-S87 VanDerWaalsContact C-N 3.31Å; S87-R114 VanDerWaalsContact C-NH2 3.31Å; S87-R114 PolarHBondContact O-NH2 2.99Å
88S97.7Very high97.8Very high53 Ų5357.6 Ų57.637%0.37131%0.309SS..  trans-103.7153.3-176.9-58.80000112.4E84 L85 Q90 R114E84-S88 WeakPolarHBondContact O-CB 3.41Å; E84-S88 PolarHBondContact O-N 3.35Å; L85-S88 CarbonylContact C-O 2.85Å; L85-S88 WeakPolarHBondContact CA-O 3.37Å; S88-Q90 VanDerWaalsContact C-N 3.32Å; S88-Q90 WeakPolarHBondContact CB-O 3.23Å; S88-R114 VanDerWaalsContact C-NH2 3.26Å; S88-R114 PolarHBondContact O-NE 2.92Å; S88-R114 PolarHBondContact O-NH2 3.42Å
89V97.9Very high97.6Very high110 Ų11058.7 Ų58.767%0.66732%0.315SS*.SBendtrans-82.2-14.3176-64.70000112.8R114V89-R114 PolarHBondContact O-N 3.27Å
90Q98.3Very high97.4Very high73 Ų7360.9 Ų60.934%0.34133%0.327SS..EExtended strand (participates in β ladder)trans-154.3150.3-178.5-169.4-161.6-63.100109.6S88 K111 L112 T113S88-Q90 VanDerWaalsContact C-N 3.32Å; S88-Q90 WeakPolarHBondContact CB-O 3.23Å; Q90-K111 VanDerWaalsContact CD-CD 3.45Å; Q90-K111 HydrophobicContact CG-CD 4.31Å; Q90-K111 HydrophobicContact CG-CG 3.82Å; Q90-K111 VanDerWaalsContact NE2-CG 3.32Å; Q90-L112 CarbonylContact C-O 3.24Å; Q90-L112 VanDerWaalsContact CA-O 3.27Å; Q90-L112 WeakPolarHBondContact CA-O 3.48Å; Q90-L112 WeakPolarHBondContact CG-O 3.41Å; Q90-T113 HydrophobicContact CG-CG2 4.25Å
91T98.4Very high97Very high9 Ų957 Ų576%0.05531%0.313CS..EExtended strand (participates in β ladder)trans-138.7161.3169.5178.70000109.6A81 E84 L85 L112A81-T91 HydrophobicContact CB-CG2 3.77Å; E84-T91 WeakPolarHBondContact OE2-CB 3.39Å; E84-T91 PolarHBondContact OE2-OG1 2.87Å; L85-T91 HydrophobicContact CD1-CG2 4.13Å; L85-T91 HydrophobicContact CD2-CG2 3.9Å; L85-T91 HydrophobicContact CG-CG2 3.73Å; T91-L112 HydrophobicContact CG2-CB 4.2Å; T91-L112 PolarHBondContact N-O 3.31Å; T91-L112 PolarHBondContact O-N 3.39Å
92D97.8Very high96.7Very high88 Ų8862.5 Ų62.547%0.47136%0.359SS..EExtended strand (participates in β ladder)trans-115.5118.4176.1-63.3-56.1000109.5N94 K111D92-N94 PolarHBondContact O-N 3.26Å; D92-K111 WeakPolarHBondContact OD1-CB 3.38Å; D92-K111 VanDerWaalsContact OD1-CE 3.28Å; D92-K111 WeakPolarHBondContact OD1-CE 2.89Å; D92-K111 WeakPolarHBondContact OD1-CG 3.41Å
93I98Very high96.3Very high7 Ų766 Ų664%0.03639%0.385CS..EExtended strand (participates in β ladder)trans-88.6104.9175-62.8167.9000107.6L52 A77 A81 L95 M108 N109 V110 L112L52-I93 HydrophobicContact CD1-CD1 3.8Å; L52-I93 HydrophobicContact CD2-CD1 3.74Å; L52-I93 HydrophobicContact CG-CD1 4.36Å; A77-I93 HydrophobicContact CB-CG2 4.23Å; A81-I93 HydrophobicContact CB-CD1 3.76Å; A81-I93 HydrophobicContact CB-CG1 3.74Å; I93-L95 HydrophobicContact CG2-CD1 4.41Å; I93-L95 HydrophobicContact CG2-CG 4.44Å; I93-M108 HydrophobicContact CG2-SD 4.17Å; I93-N109 WeakPolarHBondContact O-CA 3.3Å; I93-V110 HydrophobicContact CB-CB 4.44Å; I93-V110 PolarHBondContact N-O 2.94Å; I93-V110 PolarHBondContact O-N 3.46Å; I93-L112 HydrophobicContact CD1-CB 4.42Å; I93-L112 HydrophobicContact CD1-CD2 4.11Å
94N97.4Very high96.2Very high100 Ų10063.5 Ų63.554%0.53537%0.371SS..EExtended strand (participates in β ladder)trans-118104.5-178.6-175.916.4000110.9D92 P96 M108D92-N94 PolarHBondContact O-N 3.26Å; N94-P96 WeakPolarHBondContact O-CD 3.42Å; N94-M108 WeakPolarHBondContact CA-O 3.39Å
95L97.7Very high96Very high16 Ų1663.3 Ų63.38%0.08438%0.376CS..EExtended strand (participates in β ladder)trans-115.791.4178.7-68.3171.7000109.9L74 A77 I93 L98 H107 M108L74-L95 HydrophobicContact CD1-CD1 3.78Å; A77-L95 HydrophobicContact CB-CD1 3.91Å; A77-L95 HydrophobicContact CB-CD2 3.91Å; A77-L95 HydrophobicContact CB-CG 4.12Å; I93-L95 HydrophobicContact CG2-CD1 4.41Å; I93-L95 HydrophobicContact CG2-CG 4.44Å; L95-L98 HydrophobicContact CB-CB 4.27Å; L95-L98 HydrophobicContact CB-CD1 4.24Å; L95-L98 HydrophobicContact CB-CD2 4.32Å; L95-L98 HydrophobicContact CD1-CD1 3.99Å; L95-L98 HydrophobicContact CD1-CD2 4.15Å; L95-H107 WeakPolarHBondContact O-CA 3.48Å; L95-M108 HydrophobicContact CB-CB 4.22Å; L95-M108 HydrophobicContact CD1-SD 4.27Å; L95-M108 PolarHBondContact N-O 3.49Å; L95-M108 PolarHBondContact O-N 3.35Å
96P96.8Very high95.9Very high56 Ų5664.7 Ų64.736%0.36438%0.382SS..EExtended strand (participates in β ladder)trans-72.2145.3175.330-34.8000111R73 N94 L98 H107R73-P96 PolarHBondContact NH1-O 2.88Å; R73-P96 PolarHBondContact NH2-O 2.72Å; N94-P96 WeakPolarHBondContact O-CD 3.42Å; P96-L98 PolarHBondContact O-N 3.29Å; P96-H107 VanDerWaalsContact CA-ND1 3.34Å; P96-H107 WeakPolarHBondContact CA-ND1 3.45Å
97Y95.6Very high95.8Very high161 Ų16167 Ų6763%0.63139%0.389SS*.EExtended strand (participates in β ladder)trans51.446.2179.7-54.3-84.2000111.4R73 P105 K106 H107R73-Y97 PolarHBondContact NH1-O 3.45Å; Y97-P105 HydrophobicContact CD1-CB 3.43Å; Y97-P105 VanDerWaalsContact CD1-CB 3.43Å; Y97-P105 HydrophobicContact CD1-CG 4.03Å; Y97-P105 HydrophobicContact CE1-CB 3.8Å; Y97-P105 HydrophobicContact CE1-CG 3.84Å; Y97-K106 CarbonylContact C-O 3.29Å; Y97-K106 WeakPolarHBondContact CA-O 3.38Å; Y97-K106 PolarHBondContact N-O 3.25Å; Y97-H107 AromaticContact CD1-CE1 3.98Å; Y97-H107 AromaticContact CE1-CE1 3.95Å; Y97-H107 PolarHBondContact N-ND1 3.07Å
98L96.3Very high95.8Very high6 Ų662.3 Ų62.33%0.03136%0.356CS..EExtended strand (participates in β ladder)trans-66.4-41.6-177.3-178.856.6000110.9F56 L64 A70 R73 L95 P96 K106 M108F56-L98 HydrophobicContact CD2-CD2 4.4Å; F56-L98 HydrophobicContact CE2-CD2 4.12Å; F56-L98 HydrophobicContact CZ-CD2 4.43Å; L64-L98 HydrophobicContact CD1-CD2 3.73Å; L64-L98 HydrophobicContact CD2-CD2 4.28Å; L64-L98 HydrophobicContact CD2-CG 4.34Å; A70-L98 HydrophobicContact CB-CD1 3.9Å; A70-L98 HydrophobicContact CB-CG 4.18Å; A70-L98 WeakPolarHBondContact CB-O 3.4Å; R73-L98 HydrophobicContact CB-CD1 4.31Å; L95-L98 HydrophobicContact CB-CB 4.27Å; L95-L98 HydrophobicContact CB-CD1 4.24Å; L95-L98 HydrophobicContact CB-CD2 4.32Å; L95-L98 HydrophobicContact CD1-CD1 3.99Å; L95-L98 HydrophobicContact CD1-CD2 4.15Å; P96-L98 PolarHBondContact O-N 3.29Å; L98-K106 PolarHBondContact N-O 2.89Å; L98-M108 HydrophobicContact CD2-CB 3.87Å; L98-M108 HydrophobicContact CD2-CE 4.07Å; L98-M108 HydrophobicContact CD2-SD 4.48Å
99T95.5Very high95.7Very high23 Ų2365 Ų6514%0.14137%0.366CS..EExtended strand (participates in β ladder)trans-154.5-177.3175.3-165.40000109.6F56 I62 L64 D67 K106F56-T99 HydrophobicContact CE1-CG2 3.9Å; F56-T99 HydrophobicContact CZ-CG2 3.98Å; I62-T99 HydrophobicContact CD1-CG2 4.17Å; I62-T99 HydrophobicContact CG2-CG2 4.09Å; L64-T99 HydrophobicContact CD2-CG2 3.86Å; D67-T99 PolarHBondContact OD2-OG1 3.44Å; T99-K106 HydrophobicContact CG2-CB 4.11Å; T99-K106 PolarHBondContact O-N 2.97Å
100M93.3Very high95.7Very high145 Ų14560.2 Ų60.271%0.71434%0.337SS*.EExtended strand (participates in β ladder)trans-136.8142.4-180-176.1173.866.500110.4
101D90.9Very high95.6Very high54 Ų5462.9 Ų62.929%0.28935%0.348SS..EExtended strand (participates in β ladder)trans-125.5-170.9168.275.43.2000111.2I62 S103 G104 K106I62-D101 HydrophobicContact CD1-CB 3.87Å; D101-S103 PolarHBondContact O-N 3.49Å; D101-S103 VanDerWaalsContact O-N 3.16Å; D101-S103 WeakPolarHBondContact OD1-CA 3.49Å; D101-S103 WeakPolarHBondContact OD1-CB 3.36Å; D101-S103 PolarHBondContact OD1-N 3.37Å; D101-S103 PolarHBondContact OD1-OG 3.1Å; D101-S103 PolarHBondContact OD2-OG 3.47Å; D101-G104 PolarHBondContact N-O 2.67Å; D101-G104 PolarHBondContact O-N 2.92Å; D101-G104 PolarHBondContact OD1-N 3.45Å; D101-K106 WeakPolarHBondContact OD1-CE 3.38Å; D101-K106 IonicContact OD1-NZ 3.56Å; D101-K106 WeakPolarHBondContact OD2-CE 3.44Å; D101-K106 IonicContact OD2-NZ 3.63Å; D101-K106 PolarHBondContact OD2-NZ 2.94Å
102A90.9Very high95.6Very high118 Ų11862.5 Ų62.598%0.97535%0.345SS*.THydrogen-bonded Turntrans-61.2-21179.300000114.3
103S91.4Very high95.7Very high91 Ų9161 Ų6164%0.63634%0.339SS*.THydrogen-bonded Turntrans-88.8-8.7177.371.40000113.5D101 K106D101-S103 PolarHBondContact O-N 3.49Å; D101-S103 VanDerWaalsContact O-N 3.16Å; D101-S103 WeakPolarHBondContact OD1-CA 3.49Å; D101-S103 WeakPolarHBondContact OD1-CB 3.36Å; D101-S103 PolarHBondContact OD1-N 3.37Å; D101-S103 PolarHBondContact OD1-OG 3.1Å; D101-S103 PolarHBondContact OD2-OG 3.47Å; S103-K106 VanDerWaalsContact OG-CE 3.3Å; S103-K106 WeakPolarHBondContact OG-CE 3.33Å; S103-K106 PolarHBondContact OG-NZ 3.25Å
104G94Very high95.7Very high18 Ų1863.2 Ų63.219%0.18635%0.347CS..EExtended strand (participates in β ladder)trans120.6-163.9178.900000113.5D101D101-G104 PolarHBondContact N-O 2.67Å; D101-G104 PolarHBondContact O-N 2.92Å; D101-G104 PolarHBondContact OD1-N 3.45Å
105P95.5Very high95.8Very high66 Ų6661.7 Ų61.743%0.42935%0.348SS..EExtended strand (participates in β ladder)trans-67.2145-177.727.8-34.4000112Y97Y97-P105 HydrophobicContact CD1-CB 3.43Å; Y97-P105 VanDerWaalsContact CD1-CB 3.43Å; Y97-P105 HydrophobicContact CD1-CG 4.03Å; Y97-P105 HydrophobicContact CE1-CB 3.8Å; Y97-P105 HydrophobicContact CE1-CG 3.84Å
106K96.1Very high95.8Very high32 Ų3264.7 Ų64.714%0.13936%0.361CS..EExtended strand (participates in β ladder)trans-116.5145.3179.6-60.4-65.2-171.3172.80111.1F56 I62 Y97 L98 T99 D101 S103F56-K106 HydrophobicContact CZ-CB 3.88Å; I62-K106 HydrophobicContact CD1-CB 4.45Å; I62-K106 HydrophobicContact CD1-CD 4.4Å; I62-K106 HydrophobicContact CD1-CG 3.67Å; Y97-K106 CarbonylContact C-O 3.29Å; Y97-K106 WeakPolarHBondContact CA-O 3.38Å; Y97-K106 PolarHBondContact N-O 3.25Å; L98-K106 PolarHBondContact N-O 2.89Å; T99-K106 HydrophobicContact CG2-CB 4.11Å; T99-K106 PolarHBondContact O-N 2.97Å; D101-K106 WeakPolarHBondContact OD1-CE 3.38Å; D101-K106 IonicContact OD1-NZ 3.56Å; D101-K106 WeakPolarHBondContact OD2-CE 3.44Å; D101-K106 IonicContact OD2-NZ 3.63Å; D101-K106 PolarHBondContact OD2-NZ 2.94Å; S103-K106 VanDerWaalsContact OG-CE 3.3Å; S103-K106 WeakPolarHBondContact OG-CE 3.33Å; S103-K106 PolarHBondContact OG-NZ 3.25Å
107H96Very high95.9Very high82 Ų8262.2 Ų62.238%0.3834%0.344SS..EExtended strand (participates in β ladder)trans-124.4147.8-176.6-47.7-89.1000108.7L95 P96 Y97L95-H107 WeakPolarHBondContact O-CA 3.48Å; P96-H107 VanDerWaalsContact CA-ND1 3.34Å; P96-H107 WeakPolarHBondContact CA-ND1 3.45Å; Y97-H107 AromaticContact CD1-CE1 3.98Å; Y97-H107 AromaticContact CE1-CE1 3.95Å; Y97-H107 PolarHBondContact N-ND1 3.07Å
108M97Very high96Very high1 Ų156.6 Ų56.61%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-107.9128.1167.6176.6-175.2-77.300108.7L52 F56 L64 L74 I93 N94 L95 L98 V110L52-M108 HydrophobicContact CB-CE 4.09Å; L52-M108 HydrophobicContact CB-SD 4.29Å; L52-M108 HydrophobicContact CD2-SD 4.24Å; F56-M108 HydrophobicContact CB-CE 3.64Å; F56-M108 HydrophobicContact CD2-CB 3.95Å; F56-M108 HydrophobicContact CD2-CE 3.64Å; F56-M108 HydrophobicContact CD2-CG 4.35Å; F56-M108 HydrophobicContact CE2-CB 4.01Å; F56-M108 HydrophobicContact CG-CE 3.95Å; L64-M108 HydrophobicContact CD1-CE 4.03Å; L74-M108 HydrophobicContact CD1-CE 3.74Å; L74-M108 HydrophobicContact CD1-SD 3.61Å; I93-M108 HydrophobicContact CG2-SD 4.17Å; N94-M108 WeakPolarHBondContact CA-O 3.39Å; L95-M108 HydrophobicContact CB-CB 4.22Å; L95-M108 HydrophobicContact CD1-SD 4.27Å; L95-M108 PolarHBondContact N-O 3.49Å; L95-M108 PolarHBondContact O-N 3.35Å; L98-M108 HydrophobicContact CD2-CB 3.87Å; L98-M108 HydrophobicContact CD2-CE 4.07Å; L98-M108 HydrophobicContact CD2-SD 4.48Å; M108-V110 HydrophobicContact CG-CG2 3.75Å; M108-V110 HydrophobicContact SD-CG2 4.34Å
109N96.1Very high96.1Very high108 Ų10859.4 Ų59.458%0.57834%0.344SS*.EExtended strand (participates in β ladder)trans-134.399.4172.3-169.8-46000108.4I93I93-N109 WeakPolarHBondContact O-CA 3.3Å
110V96.8Very high96.2Very high10 Ų1060.1 Ų60.16%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-122.7120.9-175.9176.90000109.4Y51 L52 I93 M108Y51-V110 HydrophobicContact CE1-CG1 4.44Å; L52-V110 HydrophobicContact CD2-CB 4.21Å; L52-V110 HydrophobicContact CD2-CG1 4.06Å; L52-V110 HydrophobicContact CD2-CG2 4.28Å; I93-V110 HydrophobicContact CB-CB 4.44Å; I93-V110 PolarHBondContact N-O 2.94Å; I93-V110 PolarHBondContact O-N 3.46Å; M108-V110 HydrophobicContact CG-CG2 3.75Å; M108-V110 HydrophobicContact SD-CG2 4.34Å
111K97.4Very high96.5Very high129 Ų12953.2 Ų53.256%0.56131%0.313SS*.EExtended strand (participates in β ladder)trans-82.2118.2169.2179.5171.2-73.1-159.80109.7Q90 D92Q90-K111 VanDerWaalsContact CD-CD 3.45Å; Q90-K111 HydrophobicContact CG-CD 4.31Å; Q90-K111 HydrophobicContact CG-CG 3.82Å; Q90-K111 VanDerWaalsContact NE2-CG 3.32Å; D92-K111 WeakPolarHBondContact OD1-CB 3.38Å; D92-K111 VanDerWaalsContact OD1-CE 3.28Å; D92-K111 WeakPolarHBondContact OD1-CE 2.89Å; D92-K111 WeakPolarHBondContact OD1-CG 3.41Å
112L98.2Very high96.8Very high1 Ų153 Ų531%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-114.5125.9-177.4-175.469.2000110.5L48 Y51 A81 L85 Q90 T91 I93 K116L48-L112 HydrophobicContact CD1-CD1 4.2Å; L48-L112 HydrophobicContact CD1-CD2 3.58Å; L48-L112 HydrophobicContact CD2-CD2 3.79Å; L48-L112 HydrophobicContact CG-CD2 4.37Å; Y51-L112 HydrophobicContact CE1-CD1 4.18Å; A81-L112 HydrophobicContact CB-CD2 4.42Å; L85-L112 HydrophobicContact CD1-CD2 3.59Å; L85-L112 HydrophobicContact CD1-CG 3.89Å; Q90-L112 CarbonylContact C-O 3.24Å; Q90-L112 VanDerWaalsContact CA-O 3.27Å; Q90-L112 WeakPolarHBondContact CA-O 3.48Å; Q90-L112 WeakPolarHBondContact CG-O 3.41Å; T91-L112 HydrophobicContact CG2-CB 4.2Å; T91-L112 PolarHBondContact N-O 3.31Å; T91-L112 PolarHBondContact O-N 3.39Å; I93-L112 HydrophobicContact CD1-CB 4.42Å; I93-L112 HydrophobicContact CD1-CD2 4.11Å; L112-K116 HydrophobicContact CD1-CB 4.13Å; L112-K116 HydrophobicContact CD1-CG 3.85Å
113T98.5Very high97.1Very high57 Ų5751.6 Ų51.635%0.3529%0.291SS..EExtended strand (participates in β ladder)trans-93.8153.4173.865.20000111.1Q90 A115 K116 Y117Q90-T113 HydrophobicContact CG-CG2 4.25Å; T113-A115 VanDerWaalsContact C-N 3.28Å; T113-A115 PolarHBondContact O-N 2.96Å; T113-K116 PolarHBondContact O-N 2.93Å; T113-K116 VanDerWaalsContact O-N 3.13Å; T113-K116 WeakPolarHBondContact OG1-CB 3.32Å; T113-K116 PolarHBondContact OG1-N 3.34Å; T113-Y117 PolarHBondContact O-N 2.88Å
114R98.5Very high97.5Very high54 Ų5447.8 Ų47.820%0.20426%0.264CS..Hα-helixtrans-55.7-45.6173.2-176.1-173.9-64.5169.4-1.3111.1L85 S87 S88 V89 K116 Y117 E118L85-R114 HydrophobicContact CD2-CB 4.17Å; L85-R114 PolarHBondContact O-NE 3.48Å; L85-R114 PolarHBondContact O-NH2 3.14Å; L85-R114 VanDerWaalsContact O-NH2 3.14Å; S87-R114 VanDerWaalsContact C-NH2 3.31Å; S87-R114 PolarHBondContact O-NH2 2.99Å; S88-R114 VanDerWaalsContact C-NH2 3.26Å; S88-R114 PolarHBondContact O-NE 2.92Å; S88-R114 PolarHBondContact O-NH2 3.42Å; V89-R114 PolarHBondContact O-N 3.27Å; R114-K116 VanDerWaalsContact C-N 3.28Å; R114-K116 PolarHBondContact O-N 2.98Å; R114-Y117 PolarHBondContact O-N 3.45Å; R114-Y117 VanDerWaalsContact O-N 3.1Å; R114-E118 WeakPolarHBondContact CD-OE1 3.42Å; R114-E118 HydrophobicContact CG-CG 4.25Å; R114-E118 WeakPolarHBondContact CG-OE1 3.39Å; R114-E118 WeakPolarHBondContact O-CG 3.42Å; R114-E118 PolarHBondContact O-N 3.48Å
115A98.4Very high97.7Very high67 Ų6747.2 Ų47.255%0.55426%0.256SS*.Hα-helixtrans-58.8-38.4178.300000112.6T113 S119T113-A115 VanDerWaalsContact C-N 3.28Å; T113-A115 PolarHBondContact O-N 2.96Å; A115-S119 PolarHBondContact O-N 3.41Å; A115-S119 VanDerWaalsContact O-N 3.09Å
116K98.4Very high97.8Very high79 Ų7950.4 Ų50.434%0.34326%0.263SS..Hα-helixtrans-65.9-46.6174.7-179.958.5179.9171.50110.8L112 T113 R114 S119 L120L112-K116 HydrophobicContact CD1-CB 4.13Å; L112-K116 HydrophobicContact CD1-CG 3.85Å; T113-K116 PolarHBondContact O-N 2.93Å; T113-K116 VanDerWaalsContact O-N 3.13Å; T113-K116 WeakPolarHBondContact OG1-CB 3.32Å; T113-K116 PolarHBondContact OG1-N 3.34Å; R114-K116 VanDerWaalsContact C-N 3.28Å; R114-K116 PolarHBondContact O-N 2.98Å; K116-S119 WeakPolarHBondContact O-CB 3.31Å; K116-S119 PolarHBondContact O-N 2.96Å; K116-S119 VanDerWaalsContact O-N 3.15Å; K116-S119 PolarHBondContact O-OG 2.95Å; K116-L120 HydrophobicContact CG-CD1 4.49Å; K116-L120 WeakPolarHBondContact O-CG 3.47Å; K116-L120 PolarHBondContact O-N 3.33Å; K116-L120 VanDerWaalsContact O-N 3.13Å
117Y98.5Very high97.9Very high4 Ų453.4 Ų53.42%0.01627%0.274CS..Hα-helixtrans-62-42.8178.3178-113.6000113F44 L48 K82 L85 T113 R114 S119 L120 T121 M158F44-Y117 WeakPolarHBondContact CB-OH 3.27Å; F44-Y117 WeakPolarHBondContact CD1-OH 3.31Å; L48-Y117 HydrophobicContact CB-CD2 4.4Å; L48-Y117 HydrophobicContact CB-CE2 4.2Å; L48-Y117 HydrophobicContact CD2-CD2 4.3Å; L48-Y117 HydrophobicContact CD2-CE2 4.36Å; K82-Y117 HydrophobicContact CB-CE1 4.5Å; K82-Y117 HydrophobicContact CB-CE2 4.42Å; K82-Y117 WeakPolarHBondContact CD-OH 3.33Å; K82-Y117 HydrophobicContact CG-CE1 4.18Å; K82-Y117 WeakPolarHBondContact CG-OH 3.25Å; L85-Y117 HydrophobicContact CD1-CD1 4.28Å; L85-Y117 HydrophobicContact CD1-CG 4Å; T113-Y117 PolarHBondContact O-N 2.88Å; R114-Y117 PolarHBondContact O-N 3.45Å; R114-Y117 VanDerWaalsContact O-N 3.1Å; Y117-S119 VanDerWaalsContact C-N 3.27Å; Y117-S119 PolarHBondContact O-N 3.38Å; Y117-L120 WeakPolarHBondContact O-CB 3.49Å; Y117-L120 PolarHBondContact O-N 2.88Å; Y117-L120 VanDerWaalsContact O-N 3.09Å; Y117-T121 HydrophobicContact CD2-CG2 4.32Å; Y117-T121 HydrophobicContact CE2-CG2 3.77Å; Y117-T121 PolarHBondContact O-N 2.94Å; Y117-T121 PolarHBondContact O-OG1 2.88Å; Y117-M158 HydrophobicContact CD1-CE 3.81Å; Y117-M158 HydrophobicContact CE1-CE 3.64Å; Y117-M158 HydrophobicContact CE1-SD 3.96Å
118E98.4Very high98Very high44 Ų4449.5 Ų49.521%0.20626%0.256CS..Hα-helixtrans-58.7-38.3173-72.7171.8178.200111.8R114 L120 T121 S122 M158 K160R114-E118 WeakPolarHBondContact CD-OE1 3.42Å; R114-E118 HydrophobicContact CG-CG 4.25Å; R114-E118 WeakPolarHBondContact CG-OE1 3.39Å; R114-E118 WeakPolarHBondContact O-CG 3.42Å; R114-E118 PolarHBondContact O-N 3.48Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 3.34Å; E118-T121 PolarHBondContact O-N 2.97Å; E118-S122 WeakPolarHBondContact O-CB 3.33Å; E118-S122 PolarHBondContact O-N 3.07Å; E118-S122 VanDerWaalsContact O-N 3.08Å; E118-M158 HydrophobicContact CG-CE 3.73Å; E118-K160 HydrophobicContact CG-CB 3.93Å; E118-K160 HydrophobicContact CG-CG 4.21Å
119S98.3Very high98Very high64 Ų6451.2 Ų51.245%0.44827%0.265SS..Hα-helixtrans-65.6-35.9175.678.90000113.1A115 K116 Y117 T121 S122A115-S119 PolarHBondContact O-N 3.41Å; A115-S119 VanDerWaalsContact O-N 3.09Å; K116-S119 WeakPolarHBondContact O-CB 3.31Å; K116-S119 PolarHBondContact O-N 2.96Å; K116-S119 VanDerWaalsContact O-N 3.15Å; K116-S119 PolarHBondContact O-OG 2.95Å; Y117-S119 VanDerWaalsContact C-N 3.27Å; Y117-S119 PolarHBondContact O-N 3.38Å; S119-T121 VanDerWaalsContact C-N 3.3Å; S119-T121 PolarHBondContact O-N 2.9Å; S119-S122 PolarHBondContact O-OG 3.37Å
120L98.3Very high98.1Very high39 Ų3950.5 Ų50.520%0.20426%0.261CS..Hα-helixtrans-72.5-22.8-179.5-67173.4000113.2L48 Y51 K116 Y117 E118L48-L120 HydrophobicContact CD1-CD1 4.22Å; Y51-L120 HydrophobicContact CD1-CD1 3.93Å; Y51-L120 HydrophobicContact CD2-CD1 4.2Å; Y51-L120 HydrophobicContact CD2-CD2 4.04Å; Y51-L120 HydrophobicContact CG-CD1 3.68Å; Y51-L120 HydrophobicContact CG-CD2 4.19Å; K116-L120 HydrophobicContact CG-CD1 4.49Å; K116-L120 WeakPolarHBondContact O-CG 3.47Å; K116-L120 PolarHBondContact O-N 3.33Å; K116-L120 VanDerWaalsContact O-N 3.13Å; Y117-L120 WeakPolarHBondContact O-CB 3.49Å; Y117-L120 PolarHBondContact O-N 2.88Å; Y117-L120 VanDerWaalsContact O-N 3.09Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 3.34Å
121T98.4Very high98.1Very high0 Ų050.5 Ų50.50%026%0.261CS..THydrogen-bonded Turntrans-117.77.8-172.552.70000112.8F44 A47 Y117 E118 S119 D123 L124 I125F44-T121 HydrophobicContact CB-CG2 4.42Å; F44-T121 HydrophobicContact CD1-CG2 3.68Å; F44-T121 HydrophobicContact CE1-CG2 4.33Å; F44-T121 HydrophobicContact CG-CG2 4.27Å; A47-T121 HydrophobicContact CB-CG2 3.97Å; Y117-T121 HydrophobicContact CD2-CG2 4.32Å; Y117-T121 HydrophobicContact CE2-CG2 3.77Å; Y117-T121 PolarHBondContact O-N 2.94Å; Y117-T121 PolarHBondContact O-OG1 2.88Å; E118-T121 PolarHBondContact O-N 2.97Å; S119-T121 VanDerWaalsContact C-N 3.3Å; S119-T121 PolarHBondContact O-N 2.9Å; T121-D123 VanDerWaalsContact C-N 3.26Å; T121-D123 PolarHBondContact O-N 3.02Å; T121-L124 HydrophobicContact CG2-CD1 4.35Å; T121-L124 WeakPolarHBondContact O-CB 3.32Å; T121-L124 PolarHBondContact O-N 3.06Å; T121-L124 VanDerWaalsContact O-N 3.12Å; T121-I125 PolarHBondContact O-N 3.16Å; T121-I125 VanDerWaalsContact O-N 3.1Å
122S98Very high98.1Very high48 Ų4844.4 Ų44.434%0.33623%0.234SC..Hα-helixtrans-62.6-30.8-173.268.90000113.8E118 S119 K126E118-S122 WeakPolarHBondContact O-CB 3.33Å; E118-S122 PolarHBondContact O-N 3.07Å; E118-S122 VanDerWaalsContact O-N 3.08Å; S119-S122 PolarHBondContact O-OG 3.37Å; S122-K126 WeakPolarHBondContact O-CB 3.4Å; S122-K126 WeakPolarHBondContact O-CD 3.35Å; S122-K126 WeakPolarHBondContact O-CG 3.37Å; S122-K126 PolarHBondContact O-N 3.35Å; S122-K126 VanDerWaalsContact O-N 3.1Å
123D97.9Very high98Very high89 Ų8950.1 Ų50.148%0.47626%0.259SS..Hα-helixtrans-71.5-40.4175.262.8-53.3000111.7T121 K126 R127T121-D123 VanDerWaalsContact C-N 3.26Å; T121-D123 PolarHBondContact O-N 3.02Å; D123-K126 PolarHBondContact O-N 3.31Å; D123-R127 WeakPolarHBondContact O-CG 3.14Å; D123-R127 PolarHBondContact O-N 3.23Å
124L98.4Very high97.9Very high11 Ų1152.4 Ų52.46%0.05826%0.264CS..Hα-helixtrans-62.4-44175.5-57.4-179.9000111.5L39 D43 F44 A47 T121 K126 R127L39-L124 HydrophobicContact CD1-CB 4.2Å; L39-L124 HydrophobicContact CD1-CD2 4.11Å; D43-L124 HydrophobicContact CB-CD1 3.79Å; D43-L124 HydrophobicContact CB-CD2 4.14Å; F44-L124 HydrophobicContact CD2-CB 4.36Å; F44-L124 HydrophobicContact CD2-CD1 3.84Å; F44-L124 HydrophobicContact CE1-CB 4.44Å; F44-L124 HydrophobicContact CE2-CB 3.82Å; F44-L124 HydrophobicContact CE2-CD1 4.15Å; F44-L124 HydrophobicContact CG-CD1 4.04Å; F44-L124 HydrophobicContact CZ-CB 3.86Å; A47-L124 HydrophobicContact CB-CD1 4.46Å; T121-L124 HydrophobicContact CG2-CD1 4.35Å; T121-L124 WeakPolarHBondContact O-CB 3.32Å; T121-L124 PolarHBondContact O-N 3.06Å; T121-L124 VanDerWaalsContact O-N 3.12Å; L124-K126 VanDerWaalsContact C-N 3.35Å; L124-K126 PolarHBondContact O-N 3.48Å; L124-R127 WeakPolarHBondContact O-CB 3.35Å; L124-R127 PolarHBondContact O-N 3.27Å
125I98.1Very high97.8Very high7 Ų749.8 Ų49.84%0.03626%0.255CS..Hα-helixtrans-64.7-40.4175.3-61.2171.3000110.6F44 T121 R127 T128 M158 K160 V161 T164F44-I125 HydrophobicContact CE1-CD1 4.3Å; F44-I125 HydrophobicContact CE1-CG1 3.78Å; F44-I125 HydrophobicContact CZ-CG1 3.83Å; T121-I125 PolarHBondContact O-N 3.16Å; T121-I125 VanDerWaalsContact O-N 3.1Å; I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 2.84Å; I125-T128 PolarHBondContact O-N 3.44Å; I125-T128 PolarHBondContact O-OG1 2.92Å; I125-M158 HydrophobicContact CD1-CE 3.83Å; I125-M158 HydrophobicContact CD1-SD 4.1Å; I125-K160 HydrophobicContact CD1-CB 4.02Å; I125-K160 HydrophobicContact CD1-CG 3.73Å; I125-V161 HydrophobicContact CD1-CG2 4.47Å; I125-V161 HydrophobicContact CG1-CG2 4.3Å; I125-T164 HydrophobicContact CG2-CG2 3.95Å; I125-T164 VanDerWaalsContact CG2-OG1 3.3Å; I125-T164 WeakPolarHBondContact CG2-OG1 3.44Å
126K97.8Very high97.7Very high132 Ų13247.5 Ų47.557%0.57423%0.233SC*.Hα-helixtrans-63.9-32.8177.2-77168.2-174.3171.90112.9S122 D123 L124 T128 I129S122-K126 WeakPolarHBondContact O-CB 3.4Å; S122-K126 WeakPolarHBondContact O-CD 3.35Å; S122-K126 WeakPolarHBondContact O-CG 3.37Å; S122-K126 PolarHBondContact O-N 3.35Å; S122-K126 VanDerWaalsContact O-N 3.1Å; D123-K126 PolarHBondContact O-N 3.31Å; L124-K126 VanDerWaalsContact C-N 3.35Å; L124-K126 PolarHBondContact O-N 3.48Å; K126-T128 PolarHBondContact O-N 2.89Å; K126-I129 HydrophobicContact CB-CD1 4.45Å; K126-I129 HydrophobicContact CG-CD1 4.28Å; K126-I129 WeakPolarHBondContact O-CB 3.3Å; K126-I129 PolarHBondContact O-N 2.86Å; K126-I129 VanDerWaalsContact O-N 3.15Å
127R97.8Very high97.6Very high96 Ų9650.4 Ų50.436%0.36225%0.247SC..Hα-helixtrans-60.5-22.1176.7-75.9168.561.5-167.6-2.1112.9D36 H38 L39 D123 L124 I125 P131D36-R127 IonicContact OD1-NH2 3.95Å; D36-R127 IonicContact OD2-CZ 2.8Å; D36-R127 IonicContact OD2-NE 2.99Å; D36-R127 IonicContact OD2-NH2 3.55Å; D36-R127 PolarHBondContact OD2-NH2 2.96Å; H38-R127 PolarHBondContact O-NH2 3.24Å; H38-R127 VanDerWaalsContact O-NH2 3.08Å; L39-R127 HydrophobicContact CD2-CB 3.8Å; D123-R127 WeakPolarHBondContact O-CG 3.14Å; D123-R127 PolarHBondContact O-N 3.23Å; L124-R127 WeakPolarHBondContact O-CB 3.35Å; L124-R127 PolarHBondContact O-N 3.27Å; I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 2.84Å; R127-P131 WeakPolarHBondContact O-CD 2.87Å
128T98.3Very high97.4Very high0 Ų051.9 Ų51.90%026%0.255CS..Hα-helixtrans-81.8-19.1178.974.60000113.6Y9 L11 F16 L39 I125 K126 P131 C132Y9-T128 WeakPolarHBondContact OH-CB 3.4Å; Y9-T128 VanDerWaalsContact OH-CG2 3.3Å; Y9-T128 WeakPolarHBondContact OH-CG2 3.43Å; Y9-T128 PolarHBondContact OH-OG1 3.32Å; L11-T128 HydrophobicContact CD1-CG2 4.42Å; F16-T128 HydrophobicContact CD1-CG2 3.98Å; F16-T128 HydrophobicContact CD2-CG2 4.16Å; F16-T128 VanDerWaalsContact CE1-CA 3.42Å; F16-T128 HydrophobicContact CE1-CG2 4.06Å; F16-T128 WeakPolarHBondContact CE1-O 3.4Å; F16-T128 HydrophobicContact CE2-CG2 4.3Å; F16-T128 HydrophobicContact CG-CG2 4.04Å; F16-T128 HydrophobicContact CZ-CG2 4.24Å; L39-T128 HydrophobicContact CD2-CG2 3.8Å; I125-T128 PolarHBondContact O-N 3.44Å; I125-T128 PolarHBondContact O-OG1 2.92Å; K126-T128 PolarHBondContact O-N 2.89Å; T128-P131 WeakPolarHBondContact O-CD 3.32Å; T128-C132 PolarHBondContact O-N 3.42Å; T128-C132 PolarHBondContact O-SG 3.08Å
129I98.2Very high97.2Very high37 Ų3750.3 Ų50.319%0.1925%0.25CC..Hα-helixtrans-68.3-46.9-174.7-60174.4000111.8K126 C132 K133 T164 I168K126-I129 HydrophobicContact CB-CD1 4.45Å; K126-I129 HydrophobicContact CG-CD1 4.28Å; K126-I129 WeakPolarHBondContact O-CB 3.3Å; K126-I129 PolarHBondContact O-N 2.86Å; K126-I129 VanDerWaalsContact O-N 3.15Å; I129-C132 WeakPolarHBondContact O-CB 3.34Å; I129-C132 PolarHBondContact O-N 3.01Å; I129-K133 HydrophobicContact CG2-CD 4.14Å; I129-K133 HydrophobicContact CG2-CG 4.5Å; I129-K133 PolarHBondContact O-N 3.18Å; I129-T164 HydrophobicContact CD1-CG2 4.06Å; I129-T164 HydrophobicContact CG1-CG2 3.84Å; I129-I168 HydrophobicContact CB-CD1 4.43Å; I129-I168 HydrophobicContact CG1-CD1 4.17Å; I129-I168 HydrophobicContact CG2-CD1 4.46Å; I129-I168 HydrophobicContact CG2-CG1 4.38Å
130D97Very high97Very high92 Ų9256 Ų5649%0.49227%0.27SS..Hα-helixtrans-67.4-42.6-174.1-78-10.1000113C132 K133 K134D130-C132 VanDerWaalsContact C-N 3.3Å; D130-C132 PolarHBondContact O-N 2.95Å; D130-K133 PolarHBondContact O-N 3.44Å; D130-K134 WeakPolarHBondContact O-CG 3.46Å; D130-K134 PolarHBondContact O-N 3.47Å
131P97Very high96.7Very high11 Ų1155.7 Ų55.77%0.07127%0.269CS..Hα-helixtrans-56.8-41169.7-25.734.3000112.7F16 I18 N34 R127 T128 K133 K134 A135F16-P131 HydrophobicContact CD1-CG 4.36Å; F16-P131 HydrophobicContact CE1-CB 3.75Å; F16-P131 HydrophobicContact CE1-CG 3.87Å; I18-P131 HydrophobicContact CG2-CB 3.89Å; N34-P131 HydrophobicContact CB-CB 4.01Å; N34-P131 WeakPolarHBondContact OD1-CB 3.15Å; R127-P131 WeakPolarHBondContact O-CD 2.87Å; T128-P131 WeakPolarHBondContact O-CD 3.32Å; P131-K133 PolarHBondContact O-N 3.42Å; P131-K134 PolarHBondContact O-N 3.32Å; P131-A135 WeakPolarHBondContact O-CB 3.35Å; P131-A135 PolarHBondContact O-N 2.91Å
132C97.6Very high96.4Very high0 Ų062.4 Ų62.40%030%0.298CS..Hα-helixtrans-61.7-45.4176.3-64.50000112.1I18 T128 I129 D130 K134 A135 I136 I168I18-C132 HydrophobicContact CG1-CB 4.35Å; T128-C132 PolarHBondContact O-N 3.42Å; T128-C132 PolarHBondContact O-SG 3.08Å; I129-C132 WeakPolarHBondContact O-CB 3.34Å; I129-C132 PolarHBondContact O-N 3.01Å; D130-C132 VanDerWaalsContact C-N 3.3Å; D130-C132 PolarHBondContact O-N 2.95Å; C132-K134 VanDerWaalsContact C-N 3.32Å; C132-K134 PolarHBondContact O-N 2.83Å; C132-A135 PolarHBondContact O-N 3.12Å; C132-I136 VanDerWaalsContact O-CG1 3.26Å; C132-I136 WeakPolarHBondContact O-CG1 3.36Å; C132-I136 PolarHBondContact O-N 3Å; C132-I168 HydrophobicContact CB-CD1 4.21Å; C132-I168 HydrophobicContact CB-CG2 3.96Å
133K97Very high96.1Very high121 Ų12161.4 Ų61.453%0.52629%0.293SS..Hα-helixtrans-61.2-41.2176.9-71.2173.8-179.3166.50112I129 D130 P131 H137I129-K133 HydrophobicContact CG2-CD 4.14Å; I129-K133 HydrophobicContact CG2-CG 4.5Å; I129-K133 PolarHBondContact O-N 3.18Å; D130-K133 PolarHBondContact O-N 3.44Å; P131-K133 PolarHBondContact O-N 3.42Å; K133-H137 VanDerWaalsContact O-CB 3.32Å; K133-H137 WeakPolarHBondContact O-CB 3.36Å; K133-H137 PolarHBondContact O-N 3.34Å
134K95.8Very high95.8Very high105 Ų10561.3 Ų61.346%0.45730%0.299SS..Hα-helixtrans-64.5-44.5176.4-71.9171.4-175.1170.90111.5D130 P131 C132 H137 D138D130-K134 WeakPolarHBondContact O-CG 3.46Å; D130-K134 PolarHBondContact O-N 3.47Å; P131-K134 PolarHBondContact O-N 3.32Å; C132-K134 VanDerWaalsContact C-N 3.32Å; C132-K134 PolarHBondContact O-N 2.83Å; K134-H137 PolarHBondContact O-N 3.36Å; K134-D138 VanDerWaalsContact O-CB 3.32Å; K134-D138 WeakPolarHBondContact O-CB 3.15Å; K134-D138 PolarHBondContact O-N 3.27Å
135A96.4Very high95.4Very high0 Ų065 Ų650%032%0.319CS..Hα-helixtrans-61.4-47.2177.100000111.2I18 I20 S32 N34 P131 C132 H137 D138 A139I18-A135 HydrophobicContact CG1-CB 4.1Å; I18-A135 HydrophobicContact CG2-CB 4.14Å; I20-A135 HydrophobicContact CG1-CB 4.08Å; S32-A135 WeakPolarHBondContact CB-O 3.41Å; S32-A135 VanDerWaalsContact OG-C 3.26Å; S32-A135 WeakPolarHBondContact OG-CA 3.37Å; S32-A135 PolarHBondContact OG-O 3.14Å; N34-A135 HydrophobicContact CB-CB 4.28Å; P131-A135 WeakPolarHBondContact O-CB 3.35Å; P131-A135 PolarHBondContact O-N 2.91Å; C132-A135 PolarHBondContact O-N 3.12Å; A135-H137 VanDerWaalsContact C-N 3.34Å; A135-H137 PolarHBondContact O-N 2.87Å; A135-D138 PolarHBondContact O-N 2.88Å; A135-A139 WeakPolarHBondContact O-CB 3.49Å; A135-A139 PolarHBondContact O-N 3.11Å
136I96.3Very high95.2Very high19 Ų1964.6 Ų64.610%0.09732%0.317CS..Hα-helixtrans-57.4-47.4175.6-68164.7000111I20 C132 A139 E140 V141 A143 I168 F169I20-I136 HydrophobicContact CD1-CG1 4.23Å; C132-I136 VanDerWaalsContact O-CG1 3.26Å; C132-I136 WeakPolarHBondContact O-CG1 3.36Å; C132-I136 PolarHBondContact O-N 3Å; I136-A139 PolarHBondContact O-N 3.49Å; I136-E140 PolarHBondContact O-N 2.9Å; I136-V141 HydrophobicContact CG2-CG2 4.34Å; I136-V141 WeakPolarHBondContact CG2-O 3.28Å; I136-V141 PolarHBondContact O-N 2.9Å; I136-A143 HydrophobicContact CD1-CB 4.29Å; I136-I168 HydrophobicContact CD1-CG2 4.13Å; I136-F169 HydrophobicContact CD1-CD1 4.15Å; I136-F169 HydrophobicContact CD1-CE1 3.61Å; I136-F169 HydrophobicContact CD1-CZ 4.08Å; I136-F169 HydrophobicContact CG1-CE1 3.92Å; I136-F169 HydrophobicContact CG1-CZ 4.47Å
137H95.4Very high94.9Very high140 Ų14059.2 Ų59.265%0.64830%0.299SS*.Hα-helixtrans-60.8-48.6177.9172.8-82.6000112.3K133 K134 A135 A139 E140K133-H137 VanDerWaalsContact O-CB 3.32Å; K133-H137 WeakPolarHBondContact O-CB 3.36Å; K133-H137 PolarHBondContact O-N 3.34Å; K134-H137 PolarHBondContact O-N 3.36Å; A135-H137 VanDerWaalsContact C-N 3.34Å; A135-H137 PolarHBondContact O-N 2.87Å; H137-A139 VanDerWaalsContact C-N 3.29Å; H137-A139 PolarHBondContact O-N 3.42Å; H137-E140 PolarHBondContact O-N 3.22Å
138D94.2Very high94.7Very high34 Ų3458.1 Ų58.118%0.18230%0.298CS..Hα-helixtrans-71.2-24.4-176.4-70-5.6000112.8K134 A135 E140 R226 N227K134-D138 VanDerWaalsContact O-CB 3.32Å; K134-D138 WeakPolarHBondContact O-CB 3.15Å; K134-D138 PolarHBondContact O-N 3.27Å; A135-D138 PolarHBondContact O-N 2.88Å; D138-E140 PolarHBondContact O-N 2.92Å; D138-R226 VanDerWaalsContact CG-NH2 3.35Å; D138-R226 IonicContact OD1-CZ 2.8Å; D138-R226 IonicContact OD1-NH2 2.73Å; D138-R226 PolarHBondContact OD1-NH2 2.92Å; D138-R226 IonicContact OD2-CZ 3.78Å; D138-R226 IonicContact OD2-NE 3.59Å; D138-R226 PolarHBondContact OD2-NE 3.26Å; D138-R226 IonicContact OD2-NH2 2.78Å; D138-R226 PolarHBondContact OD2-NH2 3.48Å; D138-N227 WeakPolarHBondContact CB-ND2 3.33Å; D138-N227 PolarHBondContact OD2-ND2 3.3Å
139A94.4Very high94.6Very high11 Ų1158.1 Ų58.19%0.09130%0.298CS..THydrogen-bonded Turntrans-78.8-4.1170.500000113.2I20 K31 S32 A135 I136 H137 V141I20-A139 HydrophobicContact CB-CB 3.81Å; I20-A139 HydrophobicContact CG1-CB 4.2Å; I20-A139 HydrophobicContact CG2-CB 3.71Å; K31-A139 HydrophobicContact CB-CB 3.73Å; S32-A139 WeakPolarHBondContact OG-CB 3.44Å; A135-A139 WeakPolarHBondContact O-CB 3.49Å; A135-A139 PolarHBondContact O-N 3.11Å; I136-A139 PolarHBondContact O-N 3.49Å; H137-A139 VanDerWaalsContact C-N 3.29Å; H137-A139 PolarHBondContact O-N 3.42Å; A139-V141 HydrophobicContact CB-CG2 3.98Å; A139-V141 PolarHBondContact O-N 3.39Å
140E94.1Very high94.6Very high185 Ų18558.1 Ų58.186%0.86430%0.298SS*.THydrogen-bonded Turntrans57.631.2-178-55.1-17416300113.7I136 H137 D138I136-E140 PolarHBondContact O-N 2.9Å; H137-E140 PolarHBondContact O-N 3.22Å; D138-E140 PolarHBondContact O-N 2.92Å
141V92.5Very high94.6Very high31 Ų3154.6 Ų54.619%0.18828%0.279CS..  trans-114159.7177.2-61.90000111.2I20 I136 A139 D145 V146I20-V141 HydrophobicContact CG2-CG2 4.13Å; I136-V141 HydrophobicContact CG2-CG2 4.34Å; I136-V141 WeakPolarHBondContact CG2-O 3.28Å; I136-V141 PolarHBondContact O-N 2.9Å; A139-V141 HydrophobicContact CB-CG2 3.98Å; A139-V141 PolarHBondContact O-N 3.39Å; V141-D145 HydrophobicContact CB-CB 4.4Å; V141-V146 HydrophobicContact CG2-CG2 4.44Å
142K92.4Very high94.6Very high141 Ų14154.6 Ų54.661%0.61328%0.279SS*.  trans-88.4154.7165.1-58.5173.3-176.9171.80109.7S144 D145K142-S144 WeakPolarHBondContact CB-OG 3.42Å; K142-S144 PolarHBondContact O-N 3.31Å; K142-S144 VanDerWaalsContact O-N 3.12Å; K142-D145 VanDerWaalsContact CB-OD2 3.26Å; K142-D145 WeakPolarHBondContact CB-OD2 3.35Å; K142-D145 PolarHBondContact N-OD2 3.37Å; K142-D145 WeakPolarHBondContact O-CB 3.43Å; K142-D145 PolarHBondContact O-N 2.89Å
143A92.3Very high94.6Very high28 Ų2855 Ų5523%0.23128%0.283CS..G310 helixtrans-52.4-34.917100000112.6I136 D145 V146I136-A143 HydrophobicContact CD1-CB 4.29Å; A143-D145 VanDerWaalsContact C-N 3.27Å; A143-D145 PolarHBondContact O-N 3.25Å; A143-V146 PolarHBondContact O-N 3.06Å
144S90Very high94.6Very high87 Ų8751 Ų5161%0.60828%0.276SS*.G310 helixtrans-67.8-22.5176.255.20000114.7K142K142-S144 WeakPolarHBondContact CB-OG 3.42Å; K142-S144 PolarHBondContact O-N 3.31Å; K142-S144 VanDerWaalsContact O-N 3.12Å
145D90.9Very high94.7Very high87 Ų8746.4 Ų46.447%0.46526%0.257SS..G310 helixtrans-85.9-18.6-175.4-53.4-23000111.2V141 K142 A143 G147V141-D145 HydrophobicContact CB-CB 4.4Å; K142-D145 VanDerWaalsContact CB-OD2 3.26Å; K142-D145 WeakPolarHBondContact CB-OD2 3.35Å; K142-D145 PolarHBondContact N-OD2 3.37Å; K142-D145 WeakPolarHBondContact O-CB 3.43Å; K142-D145 PolarHBondContact O-N 2.89Å; A143-D145 VanDerWaalsContact C-N 3.27Å; A143-D145 PolarHBondContact O-N 3.25Å; D145-G147 PolarHBondContact O-N 3.47Å
146V93.4Very high94.7Very high0 Ų046.6 Ų46.60%026%0.257CS..EExtended strand (participates in β ladder)trans-65.9115.2172.9177.40000108.9A7 V141 A143 E148 V149 F169 K171A7-V146 HydrophobicContact CB-CG1 3.7Å; V141-V146 HydrophobicContact CG2-CG2 4.44Å; A143-V146 PolarHBondContact O-N 3.06Å; V146-E148 WeakPolarHBondContact CG1-O 3.32Å; V146-V149 HydrophobicContact CG1-CG2 4.01Å; V146-F169 HydrophobicContact CB-CD1 4.19Å; V146-F169 HydrophobicContact CG1-CD1 4.19Å; V146-F169 HydrophobicContact CG1-CE1 4.43Å; V146-F169 HydrophobicContact CG2-CD1 4.08Å; V146-F169 HydrophobicContact CG2-CE1 4.11Å; V146-K171 VanDerWaalsContact O-CE 3.24Å; V146-K171 WeakPolarHBondContact O-CE 3.48Å; V146-K171 PolarHBondContact O-NZ 2.8Å
147G92.2Very high94.8Very high19 Ų1951.2 Ų51.220%0.19627%0.274CS..EExtended strand (participates in β ladder)trans-72.5-56.4-176.500000113.6S5 D145 K171S5-G147 WeakPolarHBondContact O-CA 3.43Å; S5-G147 PolarHBondContact O-N 3.16Å; D145-G147 PolarHBondContact O-N 3.47Å; G147-K171 PolarHBondContact O-NZ 2.82Å
148E93.8Very high94.9Very high73 Ų7344.8 Ų44.834%0.34124%0.244SC..EExtended strand (participates in β ladder)trans-115.1148.9173.4-83.1-36.2130.200110.7F4 S5 V6 A7 V146 L150 S174F4-E148 HydrophobicContact CE1-CB 3.58Å; F4-E148 HydrophobicContact CE1-CG 3.5Å; F4-E148 HydrophobicContact CZ-CB 3.73Å; F4-E148 HydrophobicContact CZ-CG 3.42Å; F4-E148 VanDerWaalsContact CZ-CG 3.42Å; S5-E148 PolarHBondContact O-N 3.48Å; V6-E148 WeakPolarHBondContact CA-O 3.32Å; V6-E148 HydrophobicContact CG1-CB 4.32Å; V6-E148 HydrophobicContact CG2-CB 4.41Å; A7-E148 PolarHBondContact N-O 2.7Å; V146-E148 WeakPolarHBondContact CG1-O 3.32Å; E148-L150 HydrophobicContact CB-CD2 4.4Å; E148-S174 VanDerWaalsContact OE2-CB 3.31Å; E148-S174 WeakPolarHBondContact OE2-CB 3.48Å; E148-S174 PolarHBondContact OE2-OG 3.27Å
149V96.3Very high95.1Very high0 Ų044.4 Ų44.40%024%0.243CC..EExtended strand (participates in β ladder)trans-118.7115.4166.6-176.70000108A7 V146 V165 F169 K171 P173 S174A7-V149 HydrophobicContact CB-CG1 4.37Å; A7-V149 HydrophobicContact CB-CG2 4.35Å; A7-V149 CarbonylContact O-C 3.54Å; A7-V149 WeakPolarHBondContact O-CA 3.16Å; V146-V149 HydrophobicContact CG1-CG2 4.01Å; V149-V165 HydrophobicContact CG1-CG1 3.55Å; V149-F169 HydrophobicContact CG1-CD2 4.01Å; V149-F169 HydrophobicContact CG1-CE2 4.25Å; V149-F169 HydrophobicContact CG1-CG 4.5Å; V149-F169 HydrophobicContact CG2-CB 3.7Å; V149-F169 HydrophobicContact CG2-CD1 4.03Å; V149-F169 HydrophobicContact CG2-CD2 3.99Å; V149-F169 HydrophobicContact CG2-CG 3.63Å; V149-K171 HydrophobicContact CG2-CD 4.03Å; V149-K171 HydrophobicContact CG2-CG 4Å; V149-P173 HydrophobicContact CB-CB 4.43Å; V149-P173 HydrophobicContact CG1-CB 4.37Å; V149-P173 CarbonylContact O-C 3.58Å; V149-P173 WeakPolarHBondContact O-CA 3.46Å; V149-S174 WeakPolarHBondContact O-CB 3.37Å; V149-S174 PolarHBondContact O-N 3.12Å
150L96.8Very high95.2Very high36 Ų3646.6 Ų46.619%0.18825%0.251CS..EExtended strand (participates in β ladder)trans-98.2133.9-179.6-56.4-178.8000109.6V6 A7 V8 Y9 E148 V177V6-L150 HydrophobicContact CG1-CD1 3.72Å; V6-L150 HydrophobicContact CG1-CG 3.77Å; A7-L150 PolarHBondContact O-N 3.17Å; V8-L150 HydrophobicContact CG2-CB 4.42Å; V8-L150 HydrophobicContact CG2-CD1 4.29Å; Y9-L150 PolarHBondContact N-O 3.28Å; E148-L150 HydrophobicContact CB-CD2 4.4Å; L150-V177 HydrophobicContact CD1-CG2 4.19Å; L150-V177 HydrophobicContact CD2-CG2 3.93Å
151L97.6Very high95.4Very high19 Ų1937.8 Ų37.810%0.09921%0.21CC..EExtended strand (participates in β ladder)trans-101127.4173.4-61.1-178.5000109.5Y9 T156 Q162 V165 P173Y9-L151 HydrophobicContact CD1-CD2 4.14Å; Y9-L151 HydrophobicContact CG-CD2 4.36Å; L151-T156 HydrophobicContact CB-CG2 4.26Å; L151-T156 HydrophobicContact CD2-CG2 4.47Å; L151-Q162 HydrophobicContact CD1-CG 3.79Å; L151-V165 HydrophobicContact CD2-CB 4.4Å; L151-V165 HydrophobicContact CD2-CG1 4.07Å; L151-V165 HydrophobicContact CD2-CG2 4.11Å; L151-P173 HydrophobicContact CD1-CB 3.68Å; L151-P173 HydrophobicContact CD1-CG 4.03Å; L151-P173 HydrophobicContact CD2-CB 4.02Å; L151-P173 HydrophobicContact CD2-CG 4.22Å; L151-P173 HydrophobicContact CG-CB 3.6Å; L151-P173 HydrophobicContact CG-CG 4.22Å
152V97.4Very high95.7Very high10 Ų1039.7 Ų39.76%0.06122%0.217CC..EExtended strand (participates in β ladder)trans-128.2148.7178.1-177.20000108.8V8 Y9 D10 L11 T156 V183V8-V152 HydrophobicContact CG1-CG2 3.95Å; Y9-V152 PolarHBondContact O-N 3.14Å; D10-V152 VanDerWaalsContact CA-O 3.32Å; D10-V152 WeakPolarHBondContact CA-O 3.42Å; D10-V152 HydrophobicContact CB-CB 4.03Å; D10-V152 HydrophobicContact CB-CG1 4.38Å; D10-V152 WeakPolarHBondContact OD2-CG1 3.48Å; L11-V152 PolarHBondContact N-O 3.26Å; V152-T156 WeakPolarHBondContact O-CG2 3.33Å; V152-V183 HydrophobicContact CG1-CG2 3.56Å
153G96.9Very high95.9Very high9 Ų937.3 Ų37.39%0.09321%0.208CC..SBendtrans86.7139.3-17900000113.5L11 M155 T156 P179L11-G153 CarbonylContact O-C 3.57Å; L11-G153 VanDerWaalsContact O-C 3.3Å; L11-G153 WeakPolarHBondContact O-CA 3.37Å; G153-M155 VanDerWaalsContact C-N 3.25Å; G153-M155 PolarHBondContact O-N 3.31Å; G153-T156 WeakPolarHBondContact O-CB 3.01Å; G153-T156 PolarHBondContact O-N 2.93Å; G153-T156 VanDerWaalsContact O-N 3.09Å; G153-T156 PolarHBondContact O-OG1 3.41Å; G153-P179 PolarHBondContact N-O 3.5Å
154G96.7Very high96.2Very high36 Ų3636.3 Ų36.337%0.37120%0.199SC..G310 helixtrans-61.6-27.1-170.900000114.8T156 R157G154-T156 PolarHBondContact O-N 2.56Å; G154-R157 VanDerWaalsContact O-CB 3.27Å; G154-R157 WeakPolarHBondContact O-CB 3.5Å; G154-R157 VanDerWaalsContact O-CG 3.25Å; G154-R157 WeakPolarHBondContact O-CG 3.43Å; G154-R157 PolarHBondContact O-N 2.9Å; G154-R157 VanDerWaalsContact O-N 3.16Å
155M97.9Very high96.5Very high10 Ų1032.2 Ų32.25%0.04917%0.17CC..G310 helixtrans-71-18.2179.7-165.663.6-110.900112.2L11 F44 K82 G153 R157 M158L11-M155 HydrophobicContact CB-CB 4.34Å; L11-M155 HydrophobicContact CD2-CB 3.89Å; L11-M155 HydrophobicContact CD2-CG 3.56Å; L11-M155 HydrophobicContact CG-CB 3.78Å; L11-M155 HydrophobicContact CG-CG 3.88Å; L11-M155 VanDerWaalsContact O-CB 3.27Å; L11-M155 WeakPolarHBondContact O-CB 3.35Å; L11-M155 PolarHBondContact O-N 3.41Å; F44-M155 HydrophobicContact CB-SD 3.94Å; F44-M155 HydrophobicContact CD1-CE 3.74Å; F44-M155 HydrophobicContact CD1-SD 3.97Å; F44-M155 HydrophobicContact CD2-CG 4.14Å; F44-M155 HydrophobicContact CD2-SD 4.01Å; F44-M155 HydrophobicContact CE1-CE 4.03Å; F44-M155 HydrophobicContact CE1-SD 4.47Å; F44-M155 HydrophobicContact CE2-CG 4.14Å; F44-M155 HydrophobicContact CG-CE 4.14Å; F44-M155 HydrophobicContact CG-CG 4.4Å; F44-M155 HydrophobicContact CG-SD 3.72Å; F44-M155 HydrophobicContact CZ-CG 4.39Å; K82-M155 HydrophobicContact CD-CE 4.24Å; K82-M155 HydrophobicContact CD-SD 3.91Å; K82-M155 HydrophobicContact CG-CE 4.48Å; G153-M155 VanDerWaalsContact C-N 3.25Å; G153-M155 PolarHBondContact O-N 3.31Å; M155-R157 PolarHBondContact O-N 2.77Å; M155-M158 HydrophobicContact CE-CB 3.63Å; M155-M158 HydrophobicContact CE-CG 4.23Å; M155-M158 HydrophobicContact CE-SD 3.67Å; M155-M158 PolarHBondContact O-N 3.06Å
156T98Very high96.8Very high3 Ų329.4 Ų29.42%0.01816%0.159CC..G310 helixtrans-69.2-9.4172.267.60000114.1Y9 L11 L151 V152 G153 G154 M158 Q162Y9-T156 HydrophobicContact CD1-CG2 3.87Å; Y9-T156 HydrophobicContact CE1-CG2 4.08Å; L11-T156 HydrophobicContact CB-CG2 3.85Å; L151-T156 HydrophobicContact CB-CG2 4.26Å; L151-T156 HydrophobicContact CD2-CG2 4.47Å; V152-T156 WeakPolarHBondContact O-CG2 3.33Å; G153-T156 WeakPolarHBondContact O-CB 3.01Å; G153-T156 PolarHBondContact O-N 2.93Å; G153-T156 VanDerWaalsContact O-N 3.09Å; G153-T156 PolarHBondContact O-OG1 3.41Å; G154-T156 PolarHBondContact O-N 2.56Å; T156-M158 PolarHBondContact O-N 2.81Å; T156-Q162 VanDerWaalsContact O-CG 3.25Å; T156-Q162 WeakPolarHBondContact O-CG 3.45Å; T156-Q162 PolarHBondContact O-NE2 3.3Å
157R97.3Very high96.9Very high117 Ų11736.1 Ų36.144%0.44219%0.19SC..G310 helixtrans-69.7-17.8174.3-63.5174.1176.1-77.33.3112.7G154 M155 P159 D180G154-R157 VanDerWaalsContact O-CB 3.27Å; G154-R157 WeakPolarHBondContact O-CB 3.5Å; G154-R157 VanDerWaalsContact O-CG 3.25Å; G154-R157 WeakPolarHBondContact O-CG 3.43Å; G154-R157 PolarHBondContact O-N 2.9Å; G154-R157 VanDerWaalsContact O-N 3.16Å; M155-R157 PolarHBondContact O-N 2.77Å; R157-P159 WeakPolarHBondContact O-CD 3.29Å; R157-D180 IonicContact CZ-OD2 2.95Å; R157-D180 IonicContact NE-OD1 3.08Å; R157-D180 IonicContact NE-OD2 3.82Å; R157-D180 IonicContact NH2-OD1 2.72Å; R157-D180 IonicContact NH2-OD2 3.66Å; R157-D180 PolarHBondContact NH2-OD2 3.29Å
158M97.8Very high97.1Very high4 Ų436.6 Ų36.62%0.0219%0.188CC..SBendtrans-65.2124.4177179.4176.1-173.500110.9F44 Y117 E118 I125 M155 T156 K160 V161 Q162F44-M158 HydrophobicContact CD1-SD 4.21Å; F44-M158 HydrophobicContact CE1-SD 3.87Å; Y117-M158 HydrophobicContact CD1-CE 3.81Å; Y117-M158 HydrophobicContact CE1-CE 3.64Å; Y117-M158 HydrophobicContact CE1-SD 3.96Å; E118-M158 HydrophobicContact CG-CE 3.73Å; I125-M158 HydrophobicContact CD1-CE 3.83Å; I125-M158 HydrophobicContact CD1-SD 4.1Å; M155-M158 HydrophobicContact CE-CB 3.63Å; M155-M158 HydrophobicContact CE-CG 4.23Å; M155-M158 HydrophobicContact CE-SD 3.67Å; M155-M158 PolarHBondContact O-N 3.06Å; T156-M158 PolarHBondContact O-N 2.81Å; M158-K160 VanDerWaalsContact C-N 3.26Å; M158-K160 HydrophobicContact CE-CB 3.98Å; M158-K160 HydrophobicContact CG-CB 4.36Å; M158-K160 PolarHBondContact O-N 2.98Å; M158-V161 HydrophobicContact CB-CB 4.27Å; M158-V161 HydrophobicContact CB-CG2 3.9Å; M158-V161 HydrophobicContact CG-CG2 4.19Å; M158-V161 WeakPolarHBondContact O-CB 3.3Å; M158-V161 PolarHBondContact O-N 3.02Å; M158-V161 HydrophobicContact SD-CG2 4.03Å; M158-Q162 PolarHBondContact O-N 2.87Å
159P97.5Very high97.2Very high26 Ų2633.4 Ų33.417%0.16917%0.173CC..Hα-helixtrans-52.9-42-179.2-30.536.2000113.5S86 R157 V161 Q162 E163S86-P159 WeakPolarHBondContact O-CG 3.3Å; R157-P159 WeakPolarHBondContact O-CD 3.29Å; P159-V161 VanDerWaalsContact C-N 3.31Å; P159-V161 PolarHBondContact O-N 2.82Å; P159-Q162 WeakPolarHBondContact O-CB 3.33Å; P159-Q162 PolarHBondContact O-N 3.04Å; P159-Q162 VanDerWaalsContact O-N 3.13Å; P159-E163 WeakPolarHBondContact O-CG 3.35Å; P159-E163 PolarHBondContact O-N 3.25Å
160K98.1Very high97.2Very high57 Ų5736.7 Ų36.725%0.24821%0.207CC..Hα-helixtrans-65.9-31.3-179.7-166.856.6-178.6164.80114E118 I125 M158 E163 T164E118-K160 HydrophobicContact CG-CB 3.93Å; E118-K160 HydrophobicContact CG-CG 4.21Å; I125-K160 HydrophobicContact CD1-CB 4.02Å; I125-K160 HydrophobicContact CD1-CG 3.73Å; M158-K160 VanDerWaalsContact C-N 3.26Å; M158-K160 HydrophobicContact CE-CB 3.98Å; M158-K160 HydrophobicContact CG-CB 4.36Å; M158-K160 PolarHBondContact O-N 2.98Å; K160-E163 VanDerWaalsContact CD-OE2 3.29Å; K160-E163 WeakPolarHBondContact CD-OE2 3.07Å; K160-E163 IonicContact NZ-OE2 3.3Å; K160-E163 PolarHBondContact NZ-OE2 3.27Å; K160-T164 WeakPolarHBondContact O-CB 3.47Å; K160-T164 PolarHBondContact O-N 2.96Å; K160-T164 PolarHBondContact O-OG1 3.28Å
161V98Very high97.1Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-66.3-46.2172.8174.30000109.4Y9 L11 I125 M158 P159 E163 T164 V165Y9-V161 HydrophobicContact CE1-CG1 3.79Å; L11-V161 HydrophobicContact CD2-CG1 4.26Å; L11-V161 HydrophobicContact CD2-CG2 4.22Å; I125-V161 HydrophobicContact CD1-CG2 4.47Å; I125-V161 HydrophobicContact CG1-CG2 4.3Å; M158-V161 HydrophobicContact CB-CB 4.27Å; M158-V161 HydrophobicContact CB-CG2 3.9Å; M158-V161 HydrophobicContact CG-CG2 4.19Å; M158-V161 WeakPolarHBondContact O-CB 3.3Å; M158-V161 PolarHBondContact O-N 3.02Å; M158-V161 HydrophobicContact SD-CG2 4.03Å; P159-V161 VanDerWaalsContact C-N 3.31Å; P159-V161 PolarHBondContact O-N 2.82Å; V161-E163 VanDerWaalsContact C-N 3.35Å; V161-E163 PolarHBondContact O-N 3.29Å; V161-T164 PolarHBondContact O-N 3.04Å; V161-V165 HydrophobicContact CG1-CG2 4.45Å; V161-V165 WeakPolarHBondContact O-CG2 3.19Å; V161-V165 PolarHBondContact O-N 3.5Å
162Q97.5Very high96.9Very high72 Ų7246.2 Ų46.234%0.33625%0.246SC..Hα-helixtrans-62.4-40.5178.1-58.5-176.76.300112.6L151 T156 M158 P159 V165 A166L151-Q162 HydrophobicContact CD1-CG 3.79Å; T156-Q162 VanDerWaalsContact O-CG 3.25Å; T156-Q162 WeakPolarHBondContact O-CG 3.45Å; T156-Q162 PolarHBondContact O-NE2 3.3Å; M158-Q162 PolarHBondContact O-N 2.87Å; P159-Q162 WeakPolarHBondContact O-CB 3.33Å; P159-Q162 PolarHBondContact O-N 3.04Å; P159-Q162 VanDerWaalsContact O-N 3.13Å; Q162-V165 PolarHBondContact O-N 2.9Å; Q162-A166 WeakPolarHBondContact O-CB 3.4Å; Q162-A166 PolarHBondContact O-N 2.84Å
163E97.6Very high96.8Very high91 Ų9146.9 Ų46.943%0.42525%0.25SS..Hα-helixtrans-59.8-48.3172.5-73.1174.2-166.800111.3P159 K160 V161 V165 A166 E167P159-E163 WeakPolarHBondContact O-CG 3.35Å; P159-E163 PolarHBondContact O-N 3.25Å; K160-E163 VanDerWaalsContact CD-OE2 3.29Å; K160-E163 WeakPolarHBondContact CD-OE2 3.07Å; K160-E163 IonicContact NZ-OE2 3.3Å; K160-E163 PolarHBondContact NZ-OE2 3.27Å; V161-E163 VanDerWaalsContact C-N 3.35Å; V161-E163 PolarHBondContact O-N 3.29Å; E163-V165 VanDerWaalsContact C-N 3.34Å; E163-V165 PolarHBondContact O-N 3.41Å; E163-A166 WeakPolarHBondContact O-CB 3.38Å; E163-A166 PolarHBondContact O-N 3.1Å; E163-A166 VanDerWaalsContact O-N 3.12Å; E163-E167 WeakPolarHBondContact O-CG 3.47Å; E163-E167 PolarHBondContact O-N 2.9Å
164T97.8Very high96.6Very high7 Ų747.8 Ų47.84%0.04326%0.255CS..Hα-helixtrans-61.5-43.4-179.8-56.30000111.1I125 I129 K160 V161 A166 E167 I168I125-T164 HydrophobicContact CG2-CG2 3.95Å; I125-T164 VanDerWaalsContact CG2-OG1 3.3Å; I125-T164 WeakPolarHBondContact CG2-OG1 3.44Å; I129-T164 HydrophobicContact CD1-CG2 4.06Å; I129-T164 HydrophobicContact CG1-CG2 3.84Å; K160-T164 WeakPolarHBondContact O-CB 3.47Å; K160-T164 PolarHBondContact O-N 2.96Å; K160-T164 PolarHBondContact O-OG1 3.28Å; V161-T164 PolarHBondContact O-N 3.04Å; T164-A166 VanDerWaalsContact C-N 3.33Å; T164-A166 PolarHBondContact O-N 3.47Å; T164-E167 WeakPolarHBondContact O-CB 3.19Å; T164-E167 PolarHBondContact O-N 3.03Å; T164-I168 HydrophobicContact CG2-CD1 4.13Å; T164-I168 VanDerWaalsContact O-CG1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.46Å; T164-I168 PolarHBondContact O-N 3.43Å
165V97.2Very high96.1Very high0 Ų055.3 Ų55.30%028%0.278CS..Hα-helixtrans-62.9-41.9175.1177.20000110.8Y9 V149 L151 V161 Q162 E163 E167 I168 F169 P173Y9-V165 HydrophobicContact CD1-CG2 4.02Å; Y9-V165 HydrophobicContact CD2-CG2 3.64Å; Y9-V165 HydrophobicContact CE1-CG2 3.99Å; Y9-V165 HydrophobicContact CE2-CG2 3.6Å; Y9-V165 HydrophobicContact CG-CG2 3.85Å; V149-V165 HydrophobicContact CG1-CG1 3.55Å; L151-V165 HydrophobicContact CD2-CB 4.4Å; L151-V165 HydrophobicContact CD2-CG1 4.07Å; L151-V165 HydrophobicContact CD2-CG2 4.11Å; V161-V165 HydrophobicContact CG1-CG2 4.45Å; V161-V165 WeakPolarHBondContact O-CG2 3.19Å; V161-V165 PolarHBondContact O-N 3.5Å; Q162-V165 PolarHBondContact O-N 2.9Å; E163-V165 VanDerWaalsContact C-N 3.34Å; E163-V165 PolarHBondContact O-N 3.41Å; V165-E167 VanDerWaalsContact C-N 3.3Å; V165-E167 PolarHBondContact O-N 3.28Å; V165-I168 PolarHBondContact O-N 2.8Å; V165-F169 HydrophobicContact CG1-CD2 3.84Å; V165-F169 HydrophobicContact CG1-CE2 4.2Å; V165-F169 WeakPolarHBondContact O-CD2 3.42Å; V165-F169 PolarHBondContact O-N 3.46Å; V165-P173 HydrophobicContact CB-CG 4.16Å; V165-P173 HydrophobicContact CG1-CG 3.76Å
166A96.9Very high95.6Very high28 Ų2859 Ų5923%0.23131%0.309CS..Hα-helixtrans-63.8-35.5176.900000112.8Q162 E163 T164 G170 K171Q162-A166 WeakPolarHBondContact O-CB 3.4Å; Q162-A166 PolarHBondContact O-N 2.84Å; E163-A166 WeakPolarHBondContact O-CB 3.38Å; E163-A166 PolarHBondContact O-N 3.1Å; E163-A166 VanDerWaalsContact O-N 3.12Å; T164-A166 VanDerWaalsContact C-N 3.33Å; T164-A166 PolarHBondContact O-N 3.47Å; A166-G170 CarbonylContact O-C 3.56Å; A166-G170 WeakPolarHBondContact O-CA 3.41Å; A166-G170 PolarHBondContact O-N 3.22Å; A166-K171 VanDerWaalsContact CA-O 3.28Å; A166-K171 WeakPolarHBondContact CA-O 3.41Å; A166-K171 PolarHBondContact O-N 3.36Å
167E96.6Very high95.2Very high142 Ų14261.1 Ų61.166%0.66432%0.323SS*.Hα-helixtrans-66.9-41.5173.4-72.1171.8-165.500112E163 T164 V165E163-E167 WeakPolarHBondContact O-CG 3.47Å; E163-E167 PolarHBondContact O-N 2.9Å; T164-E167 WeakPolarHBondContact O-CB 3.19Å; T164-E167 PolarHBondContact O-N 3.03Å; V165-E167 VanDerWaalsContact C-N 3.3Å; V165-E167 PolarHBondContact O-N 3.28Å
168I96.4Very high95.1Very high29 Ų2958.5 Ų58.515%0.14932%0.317CS..Hα-helixtrans-64.2-49.3179.4-67.9163000111.4I129 C132 I136 T164 V165I129-I168 HydrophobicContact CB-CD1 4.43Å; I129-I168 HydrophobicContact CG1-CD1 4.17Å; I129-I168 HydrophobicContact CG2-CD1 4.46Å; I129-I168 HydrophobicContact CG2-CG1 4.38Å; C132-I168 HydrophobicContact CB-CD1 4.21Å; C132-I168 HydrophobicContact CB-CG2 3.96Å; I136-I168 HydrophobicContact CD1-CG2 4.13Å; T164-I168 HydrophobicContact CG2-CD1 4.13Å; T164-I168 VanDerWaalsContact O-CG1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.46Å; T164-I168 PolarHBondContact O-N 3.43Å; V165-I168 PolarHBondContact O-N 2.8Å
169F95.8Very high95Very high5 Ų559.3 Ų59.32%0.02232%0.323CS..Hα-helixtrans-94.4-7.7-173.1-68.4-80.9000113.7A7 I18 I20 I136 V146 V149 V165 K171A7-F169 HydrophobicContact CB-CD1 4.26Å; A7-F169 HydrophobicContact CB-CE1 3.52Å; A7-F169 HydrophobicContact CB-CE2 4.31Å; A7-F169 HydrophobicContact CB-CZ 3.56Å; I18-F169 HydrophobicContact CD1-CZ 4.14Å; I20-F169 HydrophobicContact CD1-CE1 4.22Å; I20-F169 HydrophobicContact CD1-CZ 4.5Å; I136-F169 HydrophobicContact CD1-CD1 4.15Å; I136-F169 HydrophobicContact CD1-CE1 3.61Å; I136-F169 HydrophobicContact CD1-CZ 4.08Å; I136-F169 HydrophobicContact CG1-CE1 3.92Å; I136-F169 HydrophobicContact CG1-CZ 4.47Å; V146-F169 HydrophobicContact CB-CD1 4.19Å; V146-F169 HydrophobicContact CG1-CD1 4.19Å; V146-F169 HydrophobicContact CG1-CE1 4.43Å; V146-F169 HydrophobicContact CG2-CD1 4.08Å; V146-F169 HydrophobicContact CG2-CE1 4.11Å; V149-F169 HydrophobicContact CG1-CD2 4.01Å; V149-F169 HydrophobicContact CG1-CE2 4.25Å; V149-F169 HydrophobicContact CG1-CG 4.5Å; V149-F169 HydrophobicContact CG2-CB 3.7Å; V149-F169 HydrophobicContact CG2-CD1 4.03Å; V149-F169 HydrophobicContact CG2-CD2 3.99Å; V149-F169 HydrophobicContact CG2-CG 3.63Å; V165-F169 HydrophobicContact CG1-CD2 3.84Å; V165-F169 HydrophobicContact CG1-CE2 4.2Å; V165-F169 WeakPolarHBondContact O-CD2 3.42Å; V165-F169 PolarHBondContact O-N 3.46Å; F169-K171 HydrophobicContact CB-CG 4.11Å; F169-K171 PolarHBondContact O-N 3.3Å
170G95.1Very high94.9Very high69 Ų6962.8 Ų62.871%0.71134%0.34SS*.THydrogen-bonded Turntrans66.419.8-177.300000113.9A166A166-G170 CarbonylContact O-C 3.56Å; A166-G170 WeakPolarHBondContact O-CA 3.41Å; A166-G170 PolarHBondContact O-N 3.22Å
171K94Very high94.8Very high67 Ų6765.1 Ų65.129%0.29135%0.352SS..SBendtrans-149.8154.6-179.361.2175.150.5-1750112.6V146 G147 V149 A166 F169V146-K171 VanDerWaalsContact O-CE 3.24Å; V146-K171 WeakPolarHBondContact O-CE 3.48Å; V146-K171 PolarHBondContact O-NZ 2.8Å; G147-K171 PolarHBondContact O-NZ 2.82Å; V149-K171 HydrophobicContact CG2-CD 4.03Å; V149-K171 HydrophobicContact CG2-CG 4Å; A166-K171 VanDerWaalsContact CA-O 3.28Å; A166-K171 WeakPolarHBondContact CA-O 3.41Å; A166-K171 PolarHBondContact O-N 3.36Å; F169-K171 HydrophobicContact CB-CG 4.11Å; F169-K171 PolarHBondContact O-N 3.3Å
172K94.7Very high94.7Very high189 Ų18966.3 Ų66.382%0.82236%0.362SS*.PPolyproline II helixtrans-68130.5175.9-68.2-175.5179.3-179.70109.6
173P95.3Very high94.6Very high24 Ų2467.3 Ų67.316%0.15637%0.373CS..PPolyproline II helixtrans-61.3149.5173.1-21.232.3000112V149 L151 V165V149-P173 HydrophobicContact CB-CB 4.43Å; V149-P173 HydrophobicContact CG1-CB 4.37Å; V149-P173 CarbonylContact O-C 3.58Å; V149-P173 WeakPolarHBondContact O-CA 3.46Å; L151-P173 HydrophobicContact CD1-CB 3.68Å; L151-P173 HydrophobicContact CD1-CG 4.03Å; L151-P173 HydrophobicContact CD2-CB 4.02Å; L151-P173 HydrophobicContact CD2-CG 4.22Å; L151-P173 HydrophobicContact CG-CB 3.6Å; L151-P173 HydrophobicContact CG-CG 4.22Å; V165-P173 HydrophobicContact CB-CG 4.16Å; V165-P173 HydrophobicContact CG1-CG 3.76Å
174S92.9Very high94.5Very high27 Ų2766.2 Ų66.219%0.18938%0.379CS..BIsolated β-bridgetrans-68.2146.4177.4-162.30000111.3E148 V149 A176E148-S174 VanDerWaalsContact OE2-CB 3.31Å; E148-S174 WeakPolarHBondContact OE2-CB 3.48Å; E148-S174 PolarHBondContact OE2-OG 3.27Å; V149-S174 WeakPolarHBondContact O-CB 3.37Å; V149-S174 PolarHBondContact O-N 3.12Å; S174-A176 WeakPolarHBondContact OG-CB 3.28Å; S174-A176 PolarHBondContact OG-N 3.21Å
175K86.1Confident94.4Very high194 Ų19470.7 Ų70.784%0.84340%0.402SS*.  trans-106.514170-62-173.5177.3-173.50112.1V177K175-V177 PolarHBondContact O-N 3.34Å
176A87.3Confident94.2Very high87 Ų8772.6 Ų72.672%0.71942%0.422SS*.SBendtrans-72.8-12.3-17500000113.7S174S174-A176 WeakPolarHBondContact OG-CB 3.28Å; S174-A176 PolarHBondContact OG-N 3.21Å
177V89.6Confident94Very high49 Ų4974.4 Ų74.430%0.29744%0.436SS..SBendtrans-121.1137.2-171.6177.60000109.4L150 K175 P179 A182L150-V177 HydrophobicContact CD1-CG2 4.19Å; L150-V177 HydrophobicContact CD2-CG2 3.93Å; K175-V177 PolarHBondContact O-N 3.34Å; V177-P179 WeakPolarHBondContact O-CD 3.25Å; V177-A182 HydrophobicContact CG1-CB 3.25Å
178N95.6Very high94Very high61 Ų6170.8 Ų70.833%0.32643%0.431SS..  trans-76.3114.5169.5-176.5-14.9000108.8D180 E181 A182N178-D180 PolarHBondContact O-N 3.02Å; N178-D180 VanDerWaalsContact O-N 3.15Å; N178-D180 PolarHBondContact OD1-N 2.93Å; N178-D180 VanDerWaalsContact OD1-N 3.12Å; N178-E181 HydrophobicContact CB-CB 4.27Å; N178-E181 PolarHBondContact ND2-OE1 3.16Å; N178-E181 PolarHBondContact ND2-OE2 3.35Å; N178-E181 PolarHBondContact O-N 2.86Å; N178-A182 VanDerWaalsContact O-CB 3.32Å; N178-A182 WeakPolarHBondContact O-CB 3.43Å; N178-A182 PolarHBondContact O-N 2.89Å; N178-A182 VanDerWaalsContact O-N 3.09Å
179P95.5Very high93.9Very high22 Ų2272.5 Ų72.514%0.14344%0.443CS..THydrogen-bonded Turntrans-65.5-19.6-173.828-36.7000113.7G153 V177G153-P179 PolarHBondContact N-O 3.5Å; V177-P179 WeakPolarHBondContact O-CD 3.25Å
180D95.4Very high93.6Very high98 Ų9875.6 Ų75.652%0.52446%0.457SS..THydrogen-bonded Turntrans-92-23.9-176.9-53.2-36.5000112.6R157 N178R157-D180 IonicContact CZ-OD2 2.95Å; R157-D180 IonicContact NE-OD1 3.08Å; R157-D180 IonicContact NE-OD2 3.82Å; R157-D180 IonicContact NH2-OD1 2.72Å; R157-D180 IonicContact NH2-OD2 3.66Å; R157-D180 PolarHBondContact NH2-OD2 3.29Å; N178-D180 PolarHBondContact O-N 3.02Å; N178-D180 VanDerWaalsContact O-N 3.15Å; N178-D180 PolarHBondContact OD1-N 2.93Å; N178-D180 VanDerWaalsContact OD1-N 3.12Å
181E96.4Very high93.6Very high106 Ų10674.1 Ų74.150%0.49544%0.442SS..THydrogen-bonded Turntrans-113.5-20.6-169.9-67.5170.3-172.500113.6N178 V183 A184 I185N178-E181 HydrophobicContact CB-CB 4.27Å; N178-E181 PolarHBondContact ND2-OE1 3.16Å; N178-E181 PolarHBondContact ND2-OE2 3.35Å; N178-E181 PolarHBondContact O-N 2.86Å; E181-V183 VanDerWaalsContact C-N 3.27Å; E181-V183 PolarHBondContact O-N 2.74Å; E181-A184 PolarHBondContact O-N 3Å; E181-A184 VanDerWaalsContact O-N 3.08Å; E181-I185 HydrophobicContact CB-CD1 4.14Å; E181-I185 WeakPolarHBondContact O-CG1 3.49Å; E181-I185 PolarHBondContact O-N 2.95Å
182A94.4Very high93.6Very high26 Ų2672 Ų7222%0.21544%0.437CS..Hα-helixtrans-54-42.1-172.100000113.7V177 N178 I185 G186V177-A182 HydrophobicContact CG1-CB 3.25Å; N178-A182 VanDerWaalsContact O-CB 3.32Å; N178-A182 WeakPolarHBondContact O-CB 3.43Å; N178-A182 PolarHBondContact O-N 2.89Å; N178-A182 VanDerWaalsContact O-N 3.09Å; A182-I185 PolarHBondContact O-N 3.45Å; A182-G186 PolarHBondContact O-N 3.08Å
183V95.3Very high93.4Very high93 Ų9364.8 Ų64.856%0.56441%0.409SS*.Hα-helixtrans-65.6-45.2-179.9-178.20000110.7V152 E181 I185 G186 A187V152-V183 HydrophobicContact CG1-CG2 3.56Å; E181-V183 VanDerWaalsContact C-N 3.27Å; E181-V183 PolarHBondContact O-N 2.74Å; V183-I185 PolarHBondContact O-N 3.44Å; V183-G186 PolarHBondContact O-N 3.04Å; V183-A187 PolarHBondContact O-N 2.92Å
184A96.4Very high93.1Very high68 Ų6870.3 Ų70.356%0.56244%0.436SS*.Hα-helixtrans-64.9-39.7178.800000111.9E181 A187 A188E181-A184 PolarHBondContact O-N 3Å; E181-A184 VanDerWaalsContact O-N 3.08Å; A184-A187 PolarHBondContact O-N 3.45Å; A184-A188 PolarHBondContact O-N 2.95Å
185I95.3Very high93.1Very high100 Ų10072.4 Ų72.451%0.51346%0.455SS..Hα-helixtrans-63.9-45.3174.2-65.8169.5000110.4E181 A182 V183 A187 A188 V189E181-I185 HydrophobicContact CB-CD1 4.14Å; E181-I185 WeakPolarHBondContact O-CG1 3.49Å; E181-I185 PolarHBondContact O-N 2.95Å; A182-I185 PolarHBondContact O-N 3.45Å; V183-I185 PolarHBondContact O-N 3.44Å; I185-A187 VanDerWaalsContact C-N 3.32Å; I185-A187 PolarHBondContact O-N 3.38Å; I185-A188 WeakPolarHBondContact O-CB 3.39Å; I185-A188 PolarHBondContact O-N 3.47Å; I185-V189 WeakPolarHBondContact O-CG2 3.48Å; I185-V189 PolarHBondContact O-N 3Å
186G93.1Very high93.3Very high41 Ų4165.3 Ų65.342%0.42344%0.437SS..Hα-helixtrans-58.7-42.3176.200000112.7A182 V183 A188 V189 Q190A182-G186 PolarHBondContact O-N 3.08Å; V183-G186 PolarHBondContact O-N 3.04Å; G186-A188 PolarHBondContact O-N 3.14Å; G186-V189 PolarHBondContact O-N 3.3Å; G186-Q190 PolarHBondContact O-N 3.1Å
187A93.9Very high93.6Very high65 Ų6567.6 Ų67.654%0.53744%0.437SS..Hα-helixtrans-62.6-40.7174.900000112.5V183 A184 I185 Q190 G191V183-A187 PolarHBondContact O-N 2.92Å; A184-A187 PolarHBondContact O-N 3.45Å; I185-A187 VanDerWaalsContact C-N 3.32Å; I185-A187 PolarHBondContact O-N 3.38Å; A187-Q190 PolarHBondContact O-N 3.08Å; A187-G191 PolarHBondContact O-N 3.01Å
188A96Very high93.5Very high67 Ų6767.5 Ų67.555%0.55444%0.437SS*.Hα-helixtrans-64.5-40.7175.200000112.2A184 I185 G186 G191 A192A184-A188 PolarHBondContact O-N 2.95Å; I185-A188 WeakPolarHBondContact O-CB 3.39Å; I185-A188 PolarHBondContact O-N 3.47Å; G186-A188 PolarHBondContact O-N 3.14Å; A188-G191 PolarHBondContact O-N 2.81Å; A188-A192 PolarHBondContact O-N 3.48Å
189V93Very high92.9Very high64 Ų6469.9 Ų69.939%0.38845%0.454SS..Hα-helixtrans-61.8-44.4173.9173.90000110.7I185 G186 G191 A192 V193I185-V189 WeakPolarHBondContact O-CG2 3.48Å; I185-V189 PolarHBondContact O-N 3Å; G186-V189 PolarHBondContact O-N 3.3Å; V189-G191 VanDerWaalsContact C-N 3.31Å; V189-G191 PolarHBondContact O-N 3.41Å; V189-A192 WeakPolarHBondContact O-CB 3.44Å; V189-A192 PolarHBondContact O-N 3.15Å; V189-A192 VanDerWaalsContact O-N 3.14Å; V189-V193 WeakPolarHBondContact O-CG2 3.33Å; V189-V193 PolarHBondContact O-N 3.38Å
190Q90.9Very high92.4Very high70 Ų7075.2 Ų75.233%0.32748%0.481SS..Hα-helixtrans-60.8-40.5175.6-177.358.836.400111.9G186 A187 A192 V193 L194G186-Q190 PolarHBondContact O-N 3.1Å; A187-Q190 PolarHBondContact O-N 3.08Å; Q190-A192 VanDerWaalsContact C-N 3.33Å; Q190-A192 PolarHBondContact O-N 2.97Å; Q190-V193 PolarHBondContact O-N 3.39Å; Q190-L194 WeakPolarHBondContact O-CG 3.43Å; Q190-L194 PolarHBondContact O-N 2.96Å
191G93.8Very high92Very high38 Ų3872.6 Ų72.639%0.39247%0.469SS..Hα-helixtrans-59-42.817300000112.7A187 A188 V189 L194 A195A187-G191 PolarHBondContact O-N 3.01Å; A188-G191 PolarHBondContact O-N 2.81Å; V189-G191 VanDerWaalsContact C-N 3.31Å; V189-G191 PolarHBondContact O-N 3.41Å; G191-L194 PolarHBondContact O-N 2.92Å; G191-A195 PolarHBondContact O-N 3.24Å
192A94.1Very high91.5Very high24 Ų2472.2 Ų72.220%0.19847%0.469CS..Hα-helixtrans-67.6-34.8176.700000112.9A188 V189 Q190 A195 G196 D197 V198A188-A192 PolarHBondContact O-N 3.48Å; V189-A192 WeakPolarHBondContact O-CB 3.44Å; V189-A192 PolarHBondContact O-N 3.15Å; V189-A192 VanDerWaalsContact O-N 3.14Å; Q190-A192 VanDerWaalsContact C-N 3.33Å; Q190-A192 PolarHBondContact O-N 2.97Å; A192-A195 PolarHBondContact O-N 3.13Å; A192-G196 PolarHBondContact O-N 3.45Å; A192-G196 VanDerWaalsContact O-N 3.08Å; A192-D197 HydrophobicContact CB-CB 4.32Å; A192-D197 PolarHBondContact O-N 2.89Å; A192-V198 HydrophobicContact CB-CB 4.41Å; A192-V198 HydrophobicContact CB-CG2 3.72Å; A192-V198 PolarHBondContact O-N 3.35Å
193V90.7Very high91.2Very high37 Ų3774.8 Ų74.822%0.22448%0.479CS..Hα-helixtrans-62.5-44.9171.6173.20000110.7V189 Q190 A195 G196 V198 V201V189-V193 WeakPolarHBondContact O-CG2 3.33Å; V189-V193 PolarHBondContact O-N 3.38Å; Q190-V193 PolarHBondContact O-N 3.39Å; V193-A195 VanDerWaalsContact C-N 3.32Å; V193-A195 PolarHBondContact O-N 3.48Å; V193-G196 PolarHBondContact O-N 2.86Å; V193-G196 VanDerWaalsContact O-N 3.1Å; V193-V198 HydrophobicContact CG2-CB 3.81Å; V193-V198 HydrophobicContact CG2-CG1 3.77Å; V193-V201 HydrophobicContact CG2-CB 4.06Å; V193-V201 HydrophobicContact CG2-CG1 4.38Å
194L89.8Confident90.9Very high140 Ų14072.9 Ų72.973%0.73347%0.466SS*.Hα-helixtrans-65.9-33.3177.2-67.9172.8000112.8Q190 G191 G196Q190-L194 WeakPolarHBondContact O-CG 3.43Å; Q190-L194 PolarHBondContact O-N 2.96Å; G191-L194 PolarHBondContact O-N 2.92Å; L194-G196 VanDerWaalsContact C-N 3.26Å
195A93Very high90.6Very high71 Ų7173 Ų7359%0.58746%0.457SS*.Hα-helixtrans-73.7-16.7173.700000113.2G191 A192 V193G191-A195 PolarHBondContact O-N 3.24Å; A192-A195 PolarHBondContact O-N 3.13Å; V193-A195 VanDerWaalsContact C-N 3.32Å; V193-A195 PolarHBondContact O-N 3.48Å
196G91Very high90.4Very high45 Ų4568.6 Ų68.646%0.46443%0.434SS..THydrogen-bonded Turntrans855.5-175.900000114.6A192 V193 L194 V198A192-G196 PolarHBondContact O-N 3.45Å; A192-G196 VanDerWaalsContact O-N 3.08Å; V193-G196 PolarHBondContact O-N 2.86Å; V193-G196 VanDerWaalsContact O-N 3.1Å; L194-G196 VanDerWaalsContact C-N 3.26Å; G196-V198 VanDerWaalsContact C-N 3.3Å
197D91.5Very high90.3Very high135 Ų13567 Ų6772%0.72242%0.416SS*.SBendtrans-73.9-23.3177.2-67.8-32.8000112.1A192A192-D197 HydrophobicContact CB-CB 4.32Å; A192-D197 PolarHBondContact O-N 2.89Å
198V87.7Confident90Very high47 Ų4767 Ų6729%0.28541%0.411SS..  trans-120.2113.4174.5177.10000109.1A192 V193 G196 V201A192-V198 HydrophobicContact CB-CB 4.41Å; A192-V198 HydrophobicContact CB-CG2 3.72Å; A192-V198 PolarHBondContact O-N 3.35Å; V193-V198 HydrophobicContact CG2-CB 3.81Å; V193-V198 HydrophobicContact CG2-CG1 3.77Å; G196-V198 VanDerWaalsContact C-N 3.3Å; V198-V201 HydrophobicContact CG1-CB 4.06Å; V198-V201 HydrophobicContact CG1-CG2 3.68Å
199T84.4Confident89.7Confident111 Ų11167 Ų6768%0.68140%0.401SS*.  trans-103.8-21.5-174.755.60000114.4V201T199-V201 VanDerWaalsContact C-N 3.3Å; T199-V201 PolarHBondContact O-N 3.41Å
200D85Confident89.7Confident133 Ų13364 Ų6471%0.71138%0.383SS*.SBendtrans-95.115.7-167.9-59.4-15.6000112.8G26G26-D200 WeakPolarHBondContact CA-O 3.37Å
201V86.1Confident89.9Confident44 Ų4460.7 Ų60.727%0.26737%0.368SS..  trans-121.6123.8-178.5179.40000109.4G26 F28 V193 V198 T199G26-V201 WeakPolarHBondContact O-CA 3.38Å; F28-V201 HydrophobicContact CD2-CG1 4.01Å; F28-V201 HydrophobicContact CE2-CG1 4Å; V193-V201 HydrophobicContact CG2-CB 4.06Å; V193-V201 HydrophobicContact CG2-CG1 4.38Å; V198-V201 HydrophobicContact CG1-CB 4.06Å; V198-V201 HydrophobicContact CG1-CG2 3.68Å; T199-V201 VanDerWaalsContact C-N 3.3Å; T199-V201 PolarHBondContact O-N 3.41Å
202L85.6Confident89.9Confident97 Ų9758.9 Ų58.951%0.50835%0.349SS..EExtended strand (participates in β ladder)trans-122.4121.8173.4-178.468000109.1G26 V27 F28G26-L202 PolarHBondContact O-N 2.9Å; V27-L202 CarbonylContact C-O 3.3Å; V27-L202 WeakPolarHBondContact CA-O 3.49Å; V27-L202 HydrophobicContact CG1-CD2 4.4Å; V27-L202 HydrophobicContact CG2-CB 4.36Å; V27-L202 HydrophobicContact CG2-CD2 4.42Å; F28-L202 PolarHBondContact N-O 3.15Å
203L89.1Confident90Very high81 Ų8158.1 Ų58.142%0.42434%0.342SS..EExtended strand (participates in β ladder)trans-101.8125.5175.5-178.165.4000109.8F28F28-L203 HydrophobicContact CB-CD1 3.94Å; F28-L203 WeakPolarHBondContact O-CA 3.41Å
204L88.9Confident90.2Very high53 Ų5359.2 Ų59.228%0.27734%0.344SS..EExtended strand (participates in β ladder)trans-114.6100.3171.5-64175.9000107.8V27 F28 E29 V30 T229V27-L204 HydrophobicContact CG1-CD1 4.14Å; F28-L204 PolarHBondContact O-N 3.38Å; E29-L204 WeakPolarHBondContact CA-O 3.25Å; E29-L204 HydrophobicContact CB-CB 4.27Å; E29-L204 HydrophobicContact CB-CD1 4.5Å; E29-L204 HydrophobicContact CG-CB 4.03Å; E29-L204 HydrophobicContact CG-CD1 4.29Å; V30-L204 PolarHBondContact N-O 3.05Å; L204-T229 HydrophobicContact CB-CG2 4.03Å; L204-T229 HydrophobicContact CD2-CG2 4.45Å
205D90.9Very high90.3Very high70 Ų7054.4 Ų54.437%0.37432%0.321SS..EExtended strand (participates in β ladder)trans-93.1175.4-179.8-152.4-12.3000111.3T229 I230D205-T229 CarbonylContact O-C 3.5Å; D205-T229 VanDerWaalsContact O-CA 3.22Å; D205-T229 WeakPolarHBondContact O-CA 3.48Å; D205-T229 WeakPolarHBondContact O-CG2 3.26Å; D205-I230 HydrophobicContact CB-CD1 4.33Å; D205-I230 HydrophobicContact CB-CG1 4.11Å; D205-I230 WeakPolarHBondContact O-CG1 3.37Å; D205-I230 PolarHBondContact O-N 2.9Å
206V90.8Very high90Very high7 Ų757.9 Ų57.94%0.04233%0.329CS..EExtended strand (participates in β ladder)trans-132.2158.7-178.4-61.60000112.5V30 T33 N227 T228V30-V206 HydrophobicContact CB-CG1 4.29Å; V30-V206 HydrophobicContact CB-CG2 4.17Å; V30-V206 HydrophobicContact CG1-CG2 3.66Å; V30-V206 WeakPolarHBondContact O-CG1 3.35Å; T33-V206 HydrophobicContact CG2-CG2 3.91Å; V206-N227 WeakPolarHBondContact CG1-O 3.42Å; V206-T228 VanDerWaalsContact CA-O 3.29Å; V206-T228 WeakPolarHBondContact CA-O 3.38Å
207T90.3Very high89.8Confident8 Ų858.7 Ų58.75%0.04934%0.337CS..EExtended strand (participates in β ladder)trans-80.6128.1167.6-171.10000111.1L209 I224 N227 T228 I290T207-L209 VanDerWaalsContact C-N 3.33Å; T207-L209 PolarHBondContact O-N 2.81Å; T207-I224 HydrophobicContact CG2-CG2 3.93Å; T207-N227 WeakPolarHBondContact O-CA 3.4Å; T207-N227 PolarHBondContact O-N 3.39Å; T207-T228 PolarHBondContact N-O 2.8Å; T207-I290 HydrophobicContact CG2-CD1 4.06Å
208P87Confident89.8Confident64 Ų6453.1 Ų53.142%0.41631%0.311SS..SBendtrans-75.1-18.8-171.328.6-36.6000114.3T33 R226T33-P208 HydrophobicContact CG2-CB 3.65Å; P208-R226 WeakPolarHBondContact O-CB 3.22Å
209L89.6Confident90.1Very high67 Ų6753.8 Ų53.835%0.35132%0.316SS..SBendtrans-136.4146.1-174-67.5171.8000110.3T207 Q254 E256T207-L209 VanDerWaalsContact C-N 3.33Å; T207-L209 PolarHBondContact O-N 2.81Å; L209-Q254 HydrophobicContact CB-CG 3.36Å; L209-Q254 HydrophobicContact CD1-CG 3.74Å; L209-Q254 HydrophobicContact CG-CG 4.2Å; L209-E256 HydrophobicContact CD2-CG 4.49Å
210S94.1Very high90.6Very high3 Ų349.1 Ų49.12%0.02129%0.286CS..  trans-65.3139177.6-52.60000110.7I224 R226 Q254 G255 E256S210-I224 CarbonylContact C-O 3.6Å; S210-I224 VanDerWaalsContact CA-O 3.24Å; S210-I224 WeakPolarHBondContact CA-O 3.28Å; S210-I224 WeakPolarHBondContact CB-O 3.48Å; S210-R226 PolarHBondContact OG-N 3.27Å; S210-Q254 WeakPolarHBondContact O-CA 3.4Å; S210-G255 WeakPolarHBondContact CB-O 3.49Å; S210-G255 PolarHBondContact O-N 3.13Å; S210-E256 VanDerWaalsContact CB-OE1 3.22Å; S210-E256 WeakPolarHBondContact CB-OE1 3.48Å; S210-E256 PolarHBondContact N-OE1 2.92Å; S210-E256 VanDerWaalsContact OG-CD 3.23Å; S210-E256 PolarHBondContact OG-OE1 3.02Å; S210-E256 PolarHBondContact OG-OE2 3.03Å; S210-E256 VanDerWaalsContact OG-OE2 3.11Å
211L94.6Very high91.1Very high0 Ų044.4 Ų44.40%026%0.262CS..EExtended strand (participates in β ladder)trans-109.7139.3175.3-67.5165.6000109.9L223 I224 Q254 L266 F288 I290 V296L211-L223 PolarHBondContact O-N 3.41Å; L211-I224 HydrophobicContact CB-CB 4.38Å; L211-I224 PolarHBondContact N-O 3.35Å; L211-I224 PolarHBondContact O-N 2.85Å; L211-I224 VanDerWaalsContact O-N 3.08Å; L211-Q254 HydrophobicContact CD2-CB 3.91Å; L211-Q254 HydrophobicContact CD2-CG 3.96Å; L211-L266 HydrophobicContact CD2-CD1 3.55Å; L211-F288 HydrophobicContact CB-CD1 4.02Å; L211-F288 HydrophobicContact CB-CE1 4.02Å; L211-I290 HydrophobicContact CD1-CD1 3.5Å; L211-I290 VanDerWaalsContact CD1-CD1 3.5Å; L211-I290 HydrophobicContact CD1-CG1 4.07Å; L211-V296 HydrophobicContact CD1-CG1 4.05Å; L211-V296 HydrophobicContact CD1-CG2 3.59Å; L211-V296 HydrophobicContact CD2-CG2 4.34Å
212G95Very high91.5Very high0 Ų046.4 Ų46.40%027%0.267CS..EExtended strand (participates in β ladder)trans-167.4-172.9-177.200000112.9T221 Y253G212-T221 CarbonylContact C-O 3.57Å; G212-T221 WeakPolarHBondContact CA-O 3.43Å; G212-Y253 PolarHBondContact N-O 2.66Å; G212-Y253 VanDerWaalsContact N-O 3.08Å; G212-Y253 PolarHBondContact O-N 2.82Å
213I95Very high91.9Very high7 Ų742.8 Ų42.84%0.03625%0.248CC..EExtended strand (participates in β ladder)trans-125158.1179.266174.4000111.6T215 T221 L223 F238 I250 K251 V252 V286 F288I213-T215 HydrophobicContact CD1-CG2 4.37Å; I213-T215 HydrophobicContact CG1-CG2 4.1Å; I213-T221 PolarHBondContact N-O 3.11Å; I213-T221 PolarHBondContact O-N 2.89Å; I213-L223 HydrophobicContact CG1-CD1 4.14Å; I213-F238 HydrophobicContact CD1-CD1 4.08Å; I213-F238 HydrophobicContact CD1-CD2 3.74Å; I213-F238 HydrophobicContact CD1-CE1 3.81Å; I213-F238 HydrophobicContact CD1-CE2 3.43Å; I213-F238 VanDerWaalsContact CD1-CE2 3.43Å; I213-F238 HydrophobicContact CD1-CG 4.05Å; I213-F238 HydrophobicContact CD1-CZ 3.48Å; I213-F238 VanDerWaalsContact CD1-CZ 3.48Å; I213-F238 HydrophobicContact CG1-CE1 4.3Å; I213-F238 HydrophobicContact CG1-CE2 4.3Å; I213-F238 HydrophobicContact CG1-CZ 3.95Å; I213-I250 HydrophobicContact CG2-CG2 3.83Å; I213-K251 VanDerWaalsContact CA-O 3.23Å; I213-K251 WeakPolarHBondContact CA-O 3.24Å; I213-K251 WeakPolarHBondContact CB-O 3.19Å; I213-V252 HydrophobicContact CG2-CG2 4.4Å; I213-V286 HydrophobicContact CD1-CG2 4.4Å; I213-V286 HydrophobicContact CG2-CG1 4.41Å; I213-F288 HydrophobicContact CG2-CE2 3.69Å; I213-F288 HydrophobicContact CG2-CZ 3.57Å
214E94.7Very high92.2Very high61 Ų6139 Ų3929%0.28523%0.229SC..EExtended strand (participates in β ladder)trans-75.8126.3165.9179.1175.5-174.500110.3K251 Y253 A260E214-K251 HydrophobicContact CB-CB 4.28Å; E214-K251 PolarHBondContact N-O 2.87Å; E214-K251 VanDerWaalsContact N-O 3.1Å; E214-K251 WeakPolarHBondContact OE2-CD 3.3Å; E214-K251 IonicContact OE2-NZ 3.85Å; E214-Y253 HydrophobicContact CB-CD2 4.16Å; E214-Y253 HydrophobicContact CB-CE2 3.53Å; E214-Y253 PolarHBondContact OE2-OH 3.37Å; E214-A260 HydrophobicContact CB-CB 3.72Å; E214-A260 HydrophobicContact CG-CB 3.82Å
215T91.8Very high92.5Very high39 Ų3938 Ų3824%0.23923%0.23CC..EExtended strand (participates in β ladder)trans-111.4178.5173.858.30000111I213 G217 G218 V219 T221 F238I213-T215 HydrophobicContact CD1-CG2 4.37Å; I213-T215 HydrophobicContact CG1-CG2 4.1Å; T215-G217 PolarHBondContact O-N 2.93Å; T215-G218 PolarHBondContact O-N 2.93Å; T215-V219 PolarHBondContact N-O 3.46Å; T215-V219 PolarHBondContact OG1-O 3.04Å; T215-T221 HydrophobicContact CG2-CG2 4.44Å; T215-T221 WeakPolarHBondContact CG2-OG1 3.27Å; T215-T221 PolarHBondContact OG1-OG1 2.73Å; T215-F238 HydrophobicContact CG2-CD1 4.02Å; T215-F238 HydrophobicContact CG2-CE1 3.67Å
216L86.7Confident92.6Very high143 Ų14338.3 Ų38.375%0.74923%0.226SC*.THydrogen-bonded Turntrans-51.3129.7-178.2-176.165.5000111.3A241L216-A241 HydrophobicContact CD1-CB 4.02Å
217G87.6Confident92.6Very high63 Ų6339.1 Ų39.165%0.64923%0.23SC*.THydrogen-bonded Turntrans924.1-176.600000114.7T215 V219T215-G217 PolarHBondContact O-N 2.93Å; G217-V219 VanDerWaalsContact C-N 3.3Å
218G91.1Very high92.8Very high17 Ų1740.7 Ų40.718%0.17524%0.24CC..THydrogen-bonded Turntrans78.416.217900000113.5T215 M259 A260T215-G218 PolarHBondContact O-N 2.93Å; G218-M259 WeakPolarHBondContact O-CE 3.25Å; G218-A260 WeakPolarHBondContact O-CB 3.27Å; G218-A260 PolarHBondContact O-N 3.31Å
219V93.8Very high93Very high62 Ų6240 Ų4038%0.37624%0.235SC..EExtended strand (participates in β ladder)trans-79.9136.7-177.1-178.60000109.6T215 G217 T221T215-V219 PolarHBondContact N-O 3.46Å; T215-V219 PolarHBondContact OG1-O 3.04Å; G217-V219 VanDerWaalsContact C-N 3.3Å; V219-T221 PolarHBondContact O-N 2.78Å
220F96Very high93.1Very high12 Ų1237.5 Ų37.55%0.05322%0.222CC..EExtended strand (participates in β ladder)trans-81.8110.3172.7179.7-125.3000110K222 G255 R257 D258 A260 N263F220-K222 HydrophobicContact CD1-CG 3.91Å; F220-K222 HydrophobicContact CE1-CD 4.26Å; F220-K222 HydrophobicContact CE1-CG 3.49Å; F220-K222 VanDerWaalsContact CE1-CG 3.49Å; F220-K222 HydrophobicContact CZ-CG 4.15Å; F220-G255 WeakPolarHBondContact CE1-O 3.35Å; F220-R257 WeakPolarHBondContact CD1-O 3.43Å; F220-D258 WeakPolarHBondContact CB-O 3.44Å; F220-D258 PolarHBondContact N-O 3.08Å; F220-A260 HydrophobicContact CB-CB 4.4Å; F220-N263 WeakPolarHBondContact CD1-ND2 3.3Å; F220-N263 WeakPolarHBondContact CG-ND2 3.24Å
221T94.9Very high93Very high35 Ų3541.8 Ų41.822%0.21525%0.249CC..EExtended strand (participates in β ladder)trans-98.7110.7175.9-56.20000109.1G212 I213 T215 V219 L223 F238G212-T221 CarbonylContact C-O 3.57Å; G212-T221 WeakPolarHBondContact CA-O 3.43Å; I213-T221 PolarHBondContact N-O 3.11Å; I213-T221 PolarHBondContact O-N 2.89Å; T215-T221 HydrophobicContact CG2-CG2 4.44Å; T215-T221 WeakPolarHBondContact CG2-OG1 3.27Å; T215-T221 PolarHBondContact OG1-OG1 2.73Å; V219-T221 PolarHBondContact O-N 2.78Å; T221-L223 WeakPolarHBondContact O-CD1 3.18Å; T221-F238 HydrophobicContact CG2-CE1 4.21Å; T221-F238 HydrophobicContact CG2-CZ 4.32Å
222K94.6Very high93Very high85 Ų8543 Ų4337%0.3726%0.257SS..EExtended strand (participates in β ladder)trans-71.4131.2179-61.1-179.8-175.1-1700110.3F220 E256F220-K222 HydrophobicContact CD1-CG 3.91Å; F220-K222 HydrophobicContact CE1-CD 4.26Å; F220-K222 HydrophobicContact CE1-CG 3.49Å; F220-K222 VanDerWaalsContact CE1-CG 3.49Å; F220-K222 HydrophobicContact CZ-CG 4.15Å; K222-E256 IonicContact NZ-OE2 3.76Å; K222-E256 PolarHBondContact NZ-OE2 2.85Å
223L94.6Very high93.1Very high22 Ų2248.9 Ų48.912%0.11528%0.282CS..EExtended strand (participates in β ladder)trans-106-37171.4-81.780.8000111.6L211 I213 T221 Q236 F238 F288L211-L223 PolarHBondContact O-N 3.41Å; I213-L223 HydrophobicContact CG1-CD1 4.14Å; T221-L223 WeakPolarHBondContact O-CD1 3.18Å; L223-Q236 HydrophobicContact CD2-CB 3.91Å; L223-Q236 HydrophobicContact CG-CB 4.24Å; L223-F238 HydrophobicContact CD1-CE2 4.3Å; L223-F238 HydrophobicContact CD1-CZ 3.96Å; L223-F238 HydrophobicContact CD2-CE2 4.24Å; L223-F288 HydrophobicContact CB-CD2 4.18Å; L223-F288 HydrophobicContact CB-CE2 4.44Å; L223-F288 HydrophobicContact CD1-CE2 4.26Å; L223-F288 HydrophobicContact CD2-CD2 3.51Å; L223-F288 HydrophobicContact CD2-CE2 3.67Å; L223-F288 HydrophobicContact CG-CD2 4.35Å; L223-F288 HydrophobicContact CG-CE2 4.36Å
224I95.4Very high93Very high2 Ų253.7 Ų53.71%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-123.5121.5174.2-60.8173000106.8T207 S210 L211 T228 T232 K234 F288 I290T207-I224 HydrophobicContact CG2-CG2 3.93Å; S210-I224 CarbonylContact C-O 3.6Å; S210-I224 VanDerWaalsContact CA-O 3.24Å; S210-I224 WeakPolarHBondContact CA-O 3.28Å; S210-I224 WeakPolarHBondContact CB-O 3.48Å; L211-I224 HydrophobicContact CB-CB 4.38Å; L211-I224 PolarHBondContact N-O 3.35Å; L211-I224 PolarHBondContact O-N 2.85Å; L211-I224 VanDerWaalsContact O-N 3.08Å; I224-T228 HydrophobicContact CG2-CG2 4.03Å; I224-T232 HydrophobicContact CD1-CG2 4.03Å; I224-T232 HydrophobicContact CG2-CG2 4.32Å; I224-K234 HydrophobicContact CD1-CB 4.39Å; I224-K234 HydrophobicContact CD1-CG 4.43Å; I224-K234 HydrophobicContact CG1-CB 3.87Å; I224-K234 HydrophobicContact CG1-CG 3.75Å; I224-F288 HydrophobicContact CD1-CB 3.57Å; I224-F288 HydrophobicContact CG1-CB 4.31Å; I224-I290 HydrophobicContact CD1-CD1 3.7Å; I224-I290 HydrophobicContact CD1-CG1 3.85Å; I224-I290 HydrophobicContact CG2-CD1 4.12Å
225G94.1Very high93Very high30 Ų3053.6 Ų53.631%0.30931%0.309SS..  trans-74.9154.5175.900000111.4T228G225-T228 WeakPolarHBondContact O-CB 3.07Å; G225-T228 PolarHBondContact O-N 3.41Å; G225-T228 PolarHBondContact O-OG1 3.36Å
226R92.5Very high93.1Very high78 Ų7855.6 Ų55.629%0.29432%0.316SS..THydrogen-bonded Turntrans-54.2153.6167.367.2175-168.6-122.94.5111.1D138 P208 S210 T228 E256D138-R226 VanDerWaalsContact CG-NH2 3.35Å; D138-R226 IonicContact OD1-CZ 2.8Å; D138-R226 IonicContact OD1-NH2 2.73Å; D138-R226 PolarHBondContact OD1-NH2 2.92Å; D138-R226 IonicContact OD2-CZ 3.78Å; D138-R226 IonicContact OD2-NE 3.59Å; D138-R226 PolarHBondContact OD2-NE 3.26Å; D138-R226 IonicContact OD2-NH2 2.78Å; D138-R226 PolarHBondContact OD2-NH2 3.48Å; P208-R226 WeakPolarHBondContact O-CB 3.22Å; S210-R226 PolarHBondContact OG-N 3.27Å; R226-T228 PolarHBondContact O-N 2.98Å; R226-E256 IonicContact NH1-OE2 2.71Å; R226-E256 PolarHBondContact NH1-OE2 3.23Å
227N91.8Very high93.5Very high24 Ų2451.1 Ų51.113%0.12829%0.294CS..THydrogen-bonded Turntrans61.417.9-176-52.4-47.9000114.3S32 T33 D138 V206 T207S32-N227 WeakPolarHBondContact CA-OD1 3.39Å; T33-N227 PolarHBondContact N-OD1 3.26Å; T33-N227 PolarHBondContact O-OD1 2.97Å; D138-N227 WeakPolarHBondContact CB-ND2 3.33Å; D138-N227 PolarHBondContact OD2-ND2 3.3Å; V206-N227 WeakPolarHBondContact CG1-O 3.42Å; T207-N227 WeakPolarHBondContact O-CA 3.4Å; T207-N227 PolarHBondContact O-N 3.39Å
228T93.4Very high93.7Very high41 Ų4149.9 Ų49.925%0.25227%0.271SS..EExtended strand (participates in β ladder)trans-73.7128169-58.40000109.2V206 T207 I224 G225 R226 T232V206-T228 VanDerWaalsContact CA-O 3.29Å; V206-T228 WeakPolarHBondContact CA-O 3.38Å; T207-T228 PolarHBondContact N-O 2.8Å; I224-T228 HydrophobicContact CG2-CG2 4.03Å; G225-T228 WeakPolarHBondContact O-CB 3.07Å; G225-T228 PolarHBondContact O-N 3.41Å; G225-T228 PolarHBondContact O-OG1 3.36Å; R226-T228 PolarHBondContact O-N 2.98Å; T228-T232 HydrophobicContact CG2-CG2 3.98Å
229T92.2Very high93.6Very high50 Ų5051.1 Ų51.131%0.30728%0.277SS..EExtended strand (participates in β ladder)trans-56.3137.3176.2-47.30000111.8L204 D205 T232L204-T229 HydrophobicContact CB-CG2 4.03Å; L204-T229 HydrophobicContact CD2-CG2 4.45Å; D205-T229 CarbonylContact O-C 3.5Å; D205-T229 VanDerWaalsContact O-CA 3.22Å; D205-T229 WeakPolarHBondContact O-CA 3.48Å; D205-T229 WeakPolarHBondContact O-CG2 3.26Å; T229-T232 VanDerWaalsContact O-CB 3.27Å; T229-T232 WeakPolarHBondContact O-CB 3.34Å
230I91.9Very high93.4Very high14 Ų1448.5 Ų48.57%0.07226%0.261CS..EExtended strand (participates in β ladder)trans-113150.5177.359.3169.3000111D205 T232 I290D205-I230 HydrophobicContact CB-CD1 4.33Å; D205-I230 HydrophobicContact CB-CG1 4.11Å; D205-I230 WeakPolarHBondContact O-CG1 3.37Å; D205-I230 PolarHBondContact O-N 2.9Å; I230-T232 HydrophobicContact CG2-CG2 4.28Å; I230-I290 HydrophobicContact CB-CG2 4.38Å; I230-I290 HydrophobicContact CG2-CB 4.01Å; I230-I290 HydrophobicContact CG2-CD1 4.19Å; I230-I290 HydrophobicContact CG2-CG2 3.71Å
231P92.3Very high93Very high92 Ų9250.3 Ų50.360%0.59728%0.278SS*.SBendcis-69.7148.2-0.930.2-35.6000112.8I290P231-I290 CarbonylContact C-O 3.54Å; P231-I290 WeakPolarHBondContact CA-O 3.45Å; P231-I290 VanDerWaalsContact CB-O 3.28Å; P231-I290 WeakPolarHBondContact CB-O 3.49Å
232T94.4Very high92.7Very high26 Ų2651.1 Ų51.116%0.1629%0.289CS..EExtended strand (participates in β ladder)trans-149.2151.5-178.4-165.10000112.6I224 T228 T229 I230 I290I224-T232 HydrophobicContact CD1-CG2 4.03Å; I224-T232 HydrophobicContact CG2-CG2 4.32Å; T228-T232 HydrophobicContact CG2-CG2 3.98Å; T229-T232 VanDerWaalsContact O-CB 3.27Å; T229-T232 WeakPolarHBondContact O-CB 3.34Å; I230-T232 HydrophobicContact CG2-CG2 4.28Å; T232-I290 HydrophobicContact CG2-CB 4.27Å; T232-I290 HydrophobicContact CG2-CD1 3.96Å; T232-I290 HydrophobicContact CG2-CG1 4.19Å; T232-I290 PolarHBondContact N-O 3.01Å; T232-I290 PolarHBondContact O-N 3.13Å
233K95.3Very high92.6Very high124 Ų12452.5 Ų52.554%0.53930%0.3SS..EExtended strand (participates in β ladder)trans-134127.4-179.1-169.9173.5-165.11330110.9T287 F288 D289K233-T287 HydrophobicContact CD-CG2 4.35Å; K233-T287 VanDerWaalsContact CE-CG2 3.47Å; K233-T287 HydrophobicContact CG-CG2 3.94Å; K233-F288 CarbonylContact C-O 3.43Å; K233-F288 VanDerWaalsContact CA-O 3.31Å; K233-F288 WeakPolarHBondContact CA-O 3.17Å; K233-D289 HydrophobicContact CG-CB 4.39Å; K233-D289 IonicContact NZ-OD2 3.31Å; K233-D289 PolarHBondContact NZ-OD2 2.83Å
234K94.9Very high92.3Very high108 Ų10853.2 Ų53.247%0.4731%0.312SS..EExtended strand (participates in β ladder)trans-132.7134.7175.3-68.1-64.9-177.8-178.70110.4I224 T287 F288I224-K234 HydrophobicContact CD1-CB 4.39Å; I224-K234 HydrophobicContact CD1-CG 4.43Å; I224-K234 HydrophobicContact CG1-CB 3.87Å; I224-K234 HydrophobicContact CG1-CG 3.75Å; K234-T287 CarbonylContact O-C 3.54Å; K234-T287 WeakPolarHBondContact O-CA 3.37Å; K234-F288 PolarHBondContact N-O 3.08Å; K234-F288 PolarHBondContact O-N 3.33Å
235S94.4Very high92Very high59 Ų5955.5 Ų55.541%0.41332%0.323SS..EExtended strand (participates in β ladder)trans-121.3140174.4-57.20000109.9V286 T287S235-V286 CarbonylContact C-O 3.53Å; S235-V286 VanDerWaalsContact CA-O 3.29Å; S235-V286 WeakPolarHBondContact CA-O 3.46Å; S235-T287 WeakPolarHBondContact OG-CG2 3.17Å; S235-T287 PolarHBondContact OG-OG1 2.86Å
236Q93.9Very high91.9Very high81 Ų8157.2 Ų57.238%0.37933%0.327SS..EExtended strand (participates in β ladder)trans-138.5140.9172.8-176.2170.2-11.300110L223 F238 V286L223-Q236 HydrophobicContact CD2-CB 3.91Å; L223-Q236 HydrophobicContact CG-CB 4.24Å; Q236-F238 HydrophobicContact CB-CE2 3.79Å; Q236-F238 HydrophobicContact CB-CZ 4.17Å; Q236-F238 HydrophobicContact CG-CE2 3.84Å; Q236-F238 HydrophobicContact CG-CZ 3.85Å; Q236-F238 WeakPolarHBondContact O-CD2 3.2Å; Q236-V286 PolarHBondContact N-O 2.89Å; Q236-V286 PolarHBondContact O-N 3.31Å
237V93.7Very high91.8Very high48 Ų4858.4 Ų58.429%0.29134%0.336SS..EExtended strand (participates in β ladder)trans-91.9126.3178.9-174.40000109.7Q283 I284 E285 R303V237-Q283 HydrophobicContact CG1-CB 3.95Å; V237-I284 WeakPolarHBondContact CA-O 3.48Å; V237-E285 HydrophobicContact CG2-CB 4.36Å; V237-R303 VanDerWaalsContact CG2-CZ 3.47Å
238F91.9Very high91.7Very high37 Ų3758.2 Ų58.216%0.16234%0.336CS..EExtended strand (participates in β ladder)trans-113.6176.5172.4-63.2-86.1000109.7I213 T215 T221 L223 Q236 I284 V286I213-F238 HydrophobicContact CD1-CD1 4.08Å; I213-F238 HydrophobicContact CD1-CD2 3.74Å; I213-F238 HydrophobicContact CD1-CE1 3.81Å; I213-F238 HydrophobicContact CD1-CE2 3.43Å; I213-F238 VanDerWaalsContact CD1-CE2 3.43Å; I213-F238 HydrophobicContact CD1-CG 4.05Å; I213-F238 HydrophobicContact CD1-CZ 3.48Å; I213-F238 VanDerWaalsContact CD1-CZ 3.48Å; I213-F238 HydrophobicContact CG1-CE1 4.3Å; I213-F238 HydrophobicContact CG1-CE2 4.3Å; I213-F238 HydrophobicContact CG1-CZ 3.95Å; T215-F238 HydrophobicContact CG2-CD1 4.02Å; T215-F238 HydrophobicContact CG2-CE1 3.67Å; T221-F238 HydrophobicContact CG2-CE1 4.21Å; T221-F238 HydrophobicContact CG2-CZ 4.32Å; L223-F238 HydrophobicContact CD1-CE2 4.3Å; L223-F238 HydrophobicContact CD1-CZ 3.96Å; L223-F238 HydrophobicContact CD2-CE2 4.24Å; Q236-F238 HydrophobicContact CB-CE2 3.79Å; Q236-F238 HydrophobicContact CB-CZ 4.17Å; Q236-F238 HydrophobicContact CG-CE2 3.84Å; Q236-F238 HydrophobicContact CG-CZ 3.85Å; Q236-F238 WeakPolarHBondContact O-CD2 3.2Å; F238-I284 PolarHBondContact N-O 2.54Å; F238-I284 PolarHBondContact O-N 2.82Å; F238-V286 HydrophobicContact CD2-CB 4.06Å; F238-V286 HydrophobicContact CD2-CG2 3.75Å; F238-V286 HydrophobicContact CE2-CB 4.11Å; F238-V286 HydrophobicContact CE2-CG2 4.25Å
239S90.2Very high91.5Very high44 Ų4460.5 Ų60.531%0.30834%0.344SS..  trans-142.5172176.8-163.50000111.9G280 V281 P282S239-G280 WeakPolarHBondContact OG-CA 3.32Å; S239-G280 PolarHBondContact OG-N 3.28Å; S239-G280 PolarHBondContact OG-O 3.31Å; S239-V281 PolarHBondContact OG-N 2.91Å; S239-P282 VanDerWaalsContact CA-O 3.32Å; S239-P282 WeakPolarHBondContact CA-O 3.39Å; S239-P282 VanDerWaalsContact CB-O 3.24Å; S239-P282 WeakPolarHBondContact CB-O 3.36Å; S239-P282 PolarHBondContact OG-O 2.9Å
240T89Confident91.5Very high7 Ų758.4 Ų58.44%0.04333%0.331CS..  trans-67.2145.517751.70000111.7Q245 V248 G280 P282T240-Q245 VanDerWaalsContact CB-OE1 3.31Å; T240-Q245 HydrophobicContact CG2-CB 3.87Å; T240-Q245 HydrophobicContact CG2-CG 3.92Å; T240-V248 HydrophobicContact CG2-CG2 3.84Å; T240-G280 PolarHBondContact O-N 2.93Å; T240-P282 HydrophobicContact CG2-CB 4.01Å; T240-P282 HydrophobicContact CG2-CG 3.75Å; T240-P282 WeakPolarHBondContact OG1-CD 3.49Å
241A88.1Confident91.6Very high50 Ų5060.3 Ų60.341%0.41334%0.338SS..SBendtrans-89.5-18.2-179.200000113.2L216L216-A241 HydrophobicContact CD1-CB 4.02Å
242A88.5Confident91.7Very high52 Ų5255.9 Ų55.943%0.4331%0.31SS..SBendtrans-134.3152.5-177.900000112.4Q245A242-Q245 HydrophobicContact CB-CB 4.49Å; A242-Q245 VanDerWaalsContact O-CB 3.26Å; A242-Q245 WeakPolarHBondContact O-CB 3.43Å; A242-Q245 PolarHBondContact O-N 3.27Å
243D91.3Very high91.6Very high114 Ų11455.7 Ų55.761%0.6131%0.306SS*.THydrogen-bonded Turntrans-66136.3176.1-64.2-23.5000110.6Q245 R279D243-Q245 PolarHBondContact O-N 3Å; D243-R279 WeakPolarHBondContact OD1-CB 3.43Å; D243-R279 WeakPolarHBondContact OD1-CG 3.26Å; D243-R279 PolarHBondContact OD1-N 2.83Å
244G89.8Confident91.5Very high36 Ų3652 Ų5237%0.37129%0.291SS..THydrogen-bonded Turntrans71.39.9179.800000114.7T246 A277G244-T246 PolarHBondContact O-N 2.96Å; G244-A277 PolarHBondContact N-O 3.42Å
245Q89.3Confident91.4Very high50 Ų5047.2 Ų47.223%0.23427%0.272CS..  trans-62.6113.9177.9179.4174.22.800111.1T240 A242 D243 Q247T240-Q245 VanDerWaalsContact CB-OE1 3.31Å; T240-Q245 HydrophobicContact CG2-CB 3.87Å; T240-Q245 HydrophobicContact CG2-CG 3.92Å; A242-Q245 HydrophobicContact CB-CB 4.49Å; A242-Q245 VanDerWaalsContact O-CB 3.26Å; A242-Q245 WeakPolarHBondContact O-CB 3.43Å; A242-Q245 PolarHBondContact O-N 3.27Å; D243-Q245 PolarHBondContact O-N 3Å; Q245-Q247 WeakPolarHBondContact CG-O 3.26Å; Q245-Q247 PolarHBondContact NE2-O 2.77Å
246T90.3Very high91.3Very high66 Ų6646.8 Ų46.841%0.40526%0.264SS..  trans-95.8-3.7-177.257.60000114.6G244 G273 I274 P276G244-T246 PolarHBondContact O-N 2.96Å; T246-G273 WeakPolarHBondContact O-CA 3.46Å; T246-G273 PolarHBondContact O-N 3.49Å; T246-I274 VanDerWaalsContact CA-O 3.26Å; T246-I274 WeakPolarHBondContact CA-O 3.42Å; T246-I274 WeakPolarHBondContact CB-O 3.21Å; T246-I274 PolarHBondContact O-N 3.3Å; T246-P276 HydrophobicContact CG2-CG 3.84Å
247Q90.7Very high91.3Very high103 Ų10349.6 Ų49.648%0.48127%0.271SS..EExtended strand (participates in β ladder)trans-144.6146176.568.4-179.334.200111.1Q245 L271 V272Q245-Q247 WeakPolarHBondContact CG-O 3.26Å; Q245-Q247 PolarHBondContact NE2-O 2.77Å; Q247-L271 CarbonylContact C-O 3.57Å; Q247-L271 WeakPolarHBondContact CA-O 3.47Å; Q247-V272 HydrophobicContact CB-CG1 4.1Å
248V89.2Confident91.4Very high20 Ų2053.4 Ų53.412%0.12129%0.29CS..EExtended strand (participates in β ladder)trans-120.5121.3174.3172.30000108.6T240 I250 S270 L271 I274 I284T240-V248 HydrophobicContact CG2-CG2 3.84Å; V248-I250 HydrophobicContact CG1-CG1 4.09Å; V248-S270 CarbonylContact O-C 3.58Å; V248-S270 WeakPolarHBondContact O-CA 3.42Å; V248-L271 PolarHBondContact N-O 2.92Å; V248-L271 PolarHBondContact O-N 2.97Å; V248-I274 HydrophobicContact CB-CD1 4.03Å; V248-I274 HydrophobicContact CG2-CD1 3.5Å; V248-I274 VanDerWaalsContact CG2-CD1 3.5Å; V248-I284 HydrophobicContact CG2-CG1 4.24Å
249E91.1Very high91.5Very high90 Ų9055.1 Ų55.142%0.42130%0.299SS..EExtended strand (participates in β ladder)trans-85.7127.4171.3-173.2-179.7-138.800108.8K251 Q268E249-K251 HydrophobicContact CG-CG 4.32Å; E249-K251 WeakPolarHBondContact OE2-CE 3.07Å; E249-K251 IonicContact OE2-NZ 3.81Å; E249-Q268 PolarHBondContact OE1-NE2 2.83Å
250I92.2Very high91.7Very high5 Ų553 Ų533%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-113.4113.7179.1-62.2169.6000107.2I213 V248 V252 Q268 F269 V286 A300I213-I250 HydrophobicContact CG2-CG2 3.83Å; V248-I250 HydrophobicContact CG1-CG1 4.09Å; I250-V252 HydrophobicContact CG2-CG2 4.2Å; I250-Q268 CarbonylContact O-C 3.43Å; I250-Q268 WeakPolarHBondContact O-CA 3.48Å; I250-F269 HydrophobicContact CB-CD1 4.25Å; I250-F269 HydrophobicContact CB-CE1 3.87Å; I250-F269 HydrophobicContact CB-CE2 4.34Å; I250-F269 HydrophobicContact CB-CZ 3.92Å; I250-F269 HydrophobicContact CD1-CE2 3.83Å; I250-F269 HydrophobicContact CD1-CZ 3.82Å; I250-F269 HydrophobicContact CG1-CZ 4.49Å; I250-F269 HydrophobicContact CG2-CD1 4.42Å; I250-F269 HydrophobicContact CG2-CE1 3.66Å; I250-F269 HydrophobicContact CG2-CZ 3.83Å; I250-F269 PolarHBondContact N-O 3.49Å; I250-F269 PolarHBondContact O-N 2.97Å; I250-V286 HydrophobicContact CD1-CG2 3.75Å; I250-V286 HydrophobicContact CG2-CG1 4.49Å; I250-A300 HydrophobicContact CD1-CB 3.07Å
251K93Very high91.9Very high54 Ų5457 Ų5724%0.23531%0.313CS..EExtended strand (participates in β ladder)trans-105121.9175.2-65.7172.8177.1175.30108.8I213 E214 E249 Y253 L265 Q268I213-K251 VanDerWaalsContact CA-O 3.23Å; I213-K251 WeakPolarHBondContact CA-O 3.24Å; I213-K251 WeakPolarHBondContact CB-O 3.19Å; E214-K251 HydrophobicContact CB-CB 4.28Å; E214-K251 PolarHBondContact N-O 2.87Å; E214-K251 VanDerWaalsContact N-O 3.1Å; E214-K251 WeakPolarHBondContact OE2-CD 3.3Å; E214-K251 IonicContact OE2-NZ 3.85Å; E249-K251 HydrophobicContact CG-CG 4.32Å; E249-K251 WeakPolarHBondContact OE2-CE 3.07Å; E249-K251 IonicContact OE2-NZ 3.81Å; K251-Y253 HydrophobicContact CB-CD2 4.28Å; K251-Y253 HydrophobicContact CB-CE2 3.47Å; K251-Y253 VanDerWaalsContact CB-CE2 3.47Å; K251-Y253 WeakPolarHBondContact O-CD2 3.27Å; K251-L265 HydrophobicContact CB-CD1 4.14Å; K251-Q268 HydrophobicContact CB-CB 4.43Å; K251-Q268 HydrophobicContact CG-CB 3.81Å
252V93.7Very high92.2Very high0 Ų059.6 Ų59.60%032%0.316CS..EExtended strand (participates in β ladder)trans-100.5129.2-174.8-1790000109.5I213 I250 L266 G267 F269 F288 V298 I313I213-V252 HydrophobicContact CG2-CG2 4.4Å; I250-V252 HydrophobicContact CG2-CG2 4.2Å; V252-L266 HydrophobicContact CG1-CB 4.43Å; V252-L266 HydrophobicContact CG1-CD1 4.31Å; V252-L266 PolarHBondContact O-N 3.34Å; V252-G267 PolarHBondContact N-O 3.29Å; V252-F269 HydrophobicContact CG2-CE1 4.13Å; V252-F288 HydrophobicContact CG1-CE1 3.5Å; V252-F288 HydrophobicContact CG1-CZ 3.75Å; V252-F288 HydrophobicContact CG2-CZ 4.14Å; V252-V298 HydrophobicContact CG1-CG2 4.19Å; V252-V298 HydrophobicContact CG2-CB 4.26Å; V252-V298 HydrophobicContact CG2-CG1 3.96Å; V252-V298 HydrophobicContact CG2-CG2 4.04Å; V252-I313 HydrophobicContact CB-CD1 3.5Å; V252-I313 HydrophobicContact CG1-CD1 3.37Å; V252-I313 HydrophobicContact CG2-CD1 3.86Å
253Y93.8Very high92.4Very high21 Ų2158 Ų588%0.08230%0.301CS..EExtended strand (participates in β ladder)trans-126.3154.3-177.3-65.4-99.6000111.6G212 E214 K251 A260 N263 K264 L265G212-Y253 PolarHBondContact N-O 2.66Å; G212-Y253 VanDerWaalsContact N-O 3.08Å; G212-Y253 PolarHBondContact O-N 2.82Å; E214-Y253 HydrophobicContact CB-CD2 4.16Å; E214-Y253 HydrophobicContact CB-CE2 3.53Å; E214-Y253 PolarHBondContact OE2-OH 3.37Å; K251-Y253 HydrophobicContact CB-CD2 4.28Å; K251-Y253 HydrophobicContact CB-CE2 3.47Å; K251-Y253 VanDerWaalsContact CB-CE2 3.47Å; K251-Y253 WeakPolarHBondContact O-CD2 3.27Å; Y253-A260 HydrophobicContact CD1-CB 4.43Å; Y253-A260 WeakPolarHBondContact CD1-O 3.23Å; Y253-A260 HydrophobicContact CD2-CB 4.07Å; Y253-A260 HydrophobicContact CE1-CB 4.19Å; Y253-A260 WeakPolarHBondContact CE1-O 3.49Å; Y253-A260 HydrophobicContact CE2-CB 3.81Å; Y253-A260 HydrophobicContact CG-CB 4.36Å; Y253-N263 HydrophobicContact CD1-CB 4.29Å; Y253-K264 CarbonylContact C-O 3.58Å; Y253-K264 VanDerWaalsContact CA-O 3.24Å; Y253-K264 WeakPolarHBondContact CA-O 3.29Å; Y253-L265 HydrophobicContact CD1-CB 4.09Å; Y253-L265 HydrophobicContact CD1-CD1 4.32Å; Y253-L265 HydrophobicContact CD2-CD1 4.42Å; Y253-L265 HydrophobicContact CE1-CB 3.83Å; Y253-L265 HydrophobicContact CE1-CD1 3.89Å; Y253-L265 HydrophobicContact CE1-CG 4.46Å; Y253-L265 HydrophobicContact CE2-CD1 4Å
254Q93.1Very high92.4Very high46 Ų4658.4 Ų58.422%0.21530%0.297CS..EExtended strand (participates in β ladder)trans-125.2129.1171.9-173179.846.300110.3L209 S210 L211 N263 K264 L266L209-Q254 HydrophobicContact CB-CG 3.36Å; L209-Q254 HydrophobicContact CD1-CG 3.74Å; L209-Q254 HydrophobicContact CG-CG 4.2Å; S210-Q254 WeakPolarHBondContact O-CA 3.4Å; L211-Q254 HydrophobicContact CD2-CB 3.91Å; L211-Q254 HydrophobicContact CD2-CG 3.96Å; Q254-N263 WeakPolarHBondContact O-CB 3.34Å; Q254-K264 PolarHBondContact N-O 3.41Å; Q254-K264 PolarHBondContact O-N 2.94Å; Q254-L266 HydrophobicContact CB-CD1 3.67Å; Q254-L266 HydrophobicContact CB-CD2 4.11Å; Q254-L266 HydrophobicContact CB-CG 3.88Å
255G91.8Very high92.5Very high8 Ų860.1 Ų60.18%0.08230%0.297CS..SBendtrans151.4-173.4177.400000113.8S210 F220 N263S210-G255 WeakPolarHBondContact CB-O 3.49Å; S210-G255 PolarHBondContact O-N 3.13Å; F220-G255 WeakPolarHBondContact CE1-O 3.35Å; G255-N263 WeakPolarHBondContact CA-OD1 3.26Å
256E92.4Very high92.5Very high51 Ų5158.8 Ų58.824%0.23829%0.291CS..SBendtrans-118.5-0.9-171.1-61.3-55.5141.300114.2L209 S210 K222 R226 N263L209-E256 HydrophobicContact CD2-CG 4.49Å; S210-E256 VanDerWaalsContact CB-OE1 3.22Å; S210-E256 WeakPolarHBondContact CB-OE1 3.48Å; S210-E256 PolarHBondContact N-OE1 2.92Å; S210-E256 VanDerWaalsContact OG-CD 3.23Å; S210-E256 PolarHBondContact OG-OE1 3.02Å; S210-E256 PolarHBondContact OG-OE2 3.03Å; S210-E256 VanDerWaalsContact OG-OE2 3.11Å; K222-E256 IonicContact NZ-OE2 3.76Å; K222-E256 PolarHBondContact NZ-OE2 2.85Å; R226-E256 IonicContact NH1-OE2 2.71Å; R226-E256 PolarHBondContact NH1-OE2 3.23Å; E256-N263 PolarHBondContact N-OD1 2.93Å; E256-N263 VanDerWaalsContact N-OD1 3.15Å
257R94.3Very high92.5Very high140 Ų14056.3 Ų56.353%0.52828%0.279SS..  trans-82.9148.1-178-52.3-67-61.8-72.4-3110.4F220 M259 H262 N263F220-R257 WeakPolarHBondContact CD1-O 3.43Å; R257-M259 PolarHBondContact O-N 2.92Å; R257-H262 HydrophobicContact CB-CB 3.76Å; R257-H262 HydrophobicContact CG-CB 3.96Å; R257-N263 VanDerWaalsContact CB-OD1 3.31Å; R257-N263 WeakPolarHBondContact CB-OD1 3.35Å; R257-N263 PolarHBondContact N-OD1 3.28Å; R257-N263 PolarHBondContact O-ND2 3.33Å
258D94.8Very high92.5Very high128 Ų12855.9 Ų55.968%0.68428%0.277SS*.SBendtrans-72-25.8-176.4-57.9-45.1000114.3F220F220-D258 WeakPolarHBondContact CB-O 3.44Å; F220-D258 PolarHBondContact N-O 3.08Å
259M95.6Very high92.5Very high73 Ų7356 Ų5636%0.3628%0.276SS..BIsolated β-bridgetrans-97.5132.6177.3-60.9-55.3-6400110.2G218 R257 S261 H262 N263G218-M259 WeakPolarHBondContact O-CE 3.25Å; R257-M259 PolarHBondContact O-N 2.92Å; M259-S261 VanDerWaalsContact C-N 3.28Å; M259-S261 PolarHBondContact O-N 3.09Å; M259-H262 PolarHBondContact O-N 3.18Å; M259-H262 VanDerWaalsContact O-N 3.08Å; M259-N263 PolarHBondContact O-ND2 3.26Å
260A94.1Very high92.5Very high0 Ų053.9 Ų53.90%027%0.271CS..G310 helixtrans-58.3-40.3-177.500000112.3E214 G218 F220 Y253 H262 N263E214-A260 HydrophobicContact CB-CB 3.72Å; E214-A260 HydrophobicContact CG-CB 3.82Å; G218-A260 WeakPolarHBondContact O-CB 3.27Å; G218-A260 PolarHBondContact O-N 3.31Å; F220-A260 HydrophobicContact CB-CB 4.4Å; Y253-A260 HydrophobicContact CD1-CB 4.43Å; Y253-A260 WeakPolarHBondContact CD1-O 3.23Å; Y253-A260 HydrophobicContact CD2-CB 4.07Å; Y253-A260 HydrophobicContact CE1-CB 4.19Å; Y253-A260 WeakPolarHBondContact CE1-O 3.49Å; Y253-A260 HydrophobicContact CE2-CB 3.81Å; Y253-A260 HydrophobicContact CG-CB 4.36Å; A260-H262 PolarHBondContact O-N 2.97Å; A260-N263 PolarHBondContact O-N 3.48Å
261S93.4Very high92.4Very high90 Ų9053.7 Ų53.763%0.62927%0.27SS*.G310 helixtrans-61.5-15.7178.459.90000115.1M259M259-S261 VanDerWaalsContact C-N 3.28Å; M259-S261 PolarHBondContact O-N 3.09Å
262H93.6Very high92.2Very high104 Ų10454.4 Ų54.448%0.48128%0.279SS..G310 helixtrans-98.5-0.7178.1-60.1159.3000113.3R257 M259 A260R257-H262 HydrophobicContact CB-CB 3.76Å; R257-H262 HydrophobicContact CG-CB 3.96Å; M259-H262 PolarHBondContact O-N 3.18Å; M259-H262 VanDerWaalsContact O-N 3.08Å; A260-H262 PolarHBondContact O-N 2.97Å
263N92.7Very high91.8Very high20 Ų2055.8 Ų55.811%0.10729%0.293CS..SBendtrans-106.8169.1176.5-65.7-51.4000110.3F220 Y253 Q254 G255 E256 R257 M259 A260 L265F220-N263 WeakPolarHBondContact CD1-ND2 3.3Å; F220-N263 WeakPolarHBondContact CG-ND2 3.24Å; Y253-N263 HydrophobicContact CD1-CB 4.29Å; Q254-N263 WeakPolarHBondContact O-CB 3.34Å; G255-N263 WeakPolarHBondContact CA-OD1 3.26Å; E256-N263 PolarHBondContact N-OD1 2.93Å; E256-N263 VanDerWaalsContact N-OD1 3.15Å; R257-N263 VanDerWaalsContact CB-OD1 3.31Å; R257-N263 WeakPolarHBondContact CB-OD1 3.35Å; R257-N263 PolarHBondContact N-OD1 3.28Å; R257-N263 PolarHBondContact O-ND2 3.33Å; M259-N263 PolarHBondContact O-ND2 3.26Å; A260-N263 PolarHBondContact O-N 3.48Å; N263-L265 PolarHBondContact O-N 3.26Å
264K91.2Very high91.6Very high121 Ų12155 Ų5553%0.52629%0.29SS..EExtended strand (participates in β ladder)trans-76.2116.3178.1178.164.4178-176.40109.5Y253 Q254 L266Y253-K264 CarbonylContact C-O 3.58Å; Y253-K264 VanDerWaalsContact CA-O 3.24Å; Y253-K264 WeakPolarHBondContact CA-O 3.29Å; Q254-K264 PolarHBondContact N-O 3.41Å; Q254-K264 PolarHBondContact O-N 2.94Å; K264-L266 HydrophobicContact CG-CD2 4.12Å; K264-L266 PolarHBondContact O-N 2.94Å
265L92.6Very high91.4Very high72 Ų7256 Ų5638%0.37730%0.301SS..EExtended strand (participates in β ladder)trans-66125.3165.8179.369.6000108.6K251 Y253 N263K251-L265 HydrophobicContact CB-CD1 4.14Å; Y253-L265 HydrophobicContact CD1-CB 4.09Å; Y253-L265 HydrophobicContact CD1-CD1 4.32Å; Y253-L265 HydrophobicContact CD2-CD1 4.42Å; Y253-L265 HydrophobicContact CE1-CB 3.83Å; Y253-L265 HydrophobicContact CE1-CD1 3.89Å; Y253-L265 HydrophobicContact CE1-CG 4.46Å; Y253-L265 HydrophobicContact CE2-CD1 4Å; N263-L265 PolarHBondContact O-N 3.26Å
266L89.5Confident91.4Very high23 Ų2360.4 Ų60.412%0.1233%0.328CS..EExtended strand (participates in β ladder)trans-98.8-35.1178.1-68.2-176.4000112.3L211 V252 Q254 K264 I313 S316L211-L266 HydrophobicContact CD2-CD1 3.55Å; V252-L266 HydrophobicContact CG1-CB 4.43Å; V252-L266 HydrophobicContact CG1-CD1 4.31Å; V252-L266 PolarHBondContact O-N 3.34Å; Q254-L266 HydrophobicContact CB-CD1 3.67Å; Q254-L266 HydrophobicContact CB-CD2 4.11Å; Q254-L266 HydrophobicContact CB-CG 3.88Å; K264-L266 HydrophobicContact CG-CD2 4.12Å; K264-L266 PolarHBondContact O-N 2.94Å; L266-I313 HydrophobicContact CB-CD1 4Å; L266-I313 HydrophobicContact CB-CG2 3.6Å; L266-I313 HydrophobicContact CD1-CG2 4.11Å; L266-I313 HydrophobicContact CG-CG2 4.32Å; L266-S316 WeakPolarHBondContact O-CB 3.32Å
267G89.3Confident91.4Very high14 Ų1459.2 Ų59.214%0.14433%0.326CS..EExtended strand (participates in β ladder)trans177169.6-179.500000111.9V252V252-G267 PolarHBondContact N-O 3.29Å
268Q90.7Very high91.3Very high94 Ų9456.5 Ų56.544%0.43933%0.327SS..EExtended strand (participates in β ladder)trans-145.5147.7175.363.9174.547.900111.4E249 I250 K251E249-Q268 PolarHBondContact OE1-NE2 2.83Å; I250-Q268 CarbonylContact O-C 3.43Å; I250-Q268 WeakPolarHBondContact O-CA 3.48Å; K251-Q268 HydrophobicContact CB-CB 4.43Å; K251-Q268 HydrophobicContact CG-CB 3.81Å
269F90.4Very high91Very high22 Ų2258.6 Ų58.610%0.09633%0.326CS..EExtended strand (participates in β ladder)trans-148.3155.6176.762.8-76.5000110.1I250 V252 V298 A300 Q309 I311I250-F269 HydrophobicContact CB-CD1 4.25Å; I250-F269 HydrophobicContact CB-CE1 3.87Å; I250-F269 HydrophobicContact CB-CE2 4.34Å; I250-F269 HydrophobicContact CB-CZ 3.92Å; I250-F269 HydrophobicContact CD1-CE2 3.83Å; I250-F269 HydrophobicContact CD1-CZ 3.82Å; I250-F269 HydrophobicContact CG1-CZ 4.49Å; I250-F269 HydrophobicContact CG2-CD1 4.42Å; I250-F269 HydrophobicContact CG2-CE1 3.66Å; I250-F269 HydrophobicContact CG2-CZ 3.83Å; I250-F269 PolarHBondContact N-O 3.49Å; I250-F269 PolarHBondContact O-N 2.97Å; V252-F269 HydrophobicContact CG2-CE1 4.13Å; F269-V298 HydrophobicContact CE1-CB 4.11Å; F269-V298 HydrophobicContact CE1-CG1 3.79Å; F269-V298 HydrophobicContact CZ-CB 4.37Å; F269-V298 HydrophobicContact CZ-CG1 3.82Å; F269-A300 HydrophobicContact CE2-CB 3.61Å; F269-A300 HydrophobicContact CZ-CB 4Å; F269-Q309 HydrophobicContact CD2-CB 4.11Å; F269-Q309 HydrophobicContact CE2-CB 4.49Å; F269-Q309 WeakPolarHBondContact CE2-O 3.41Å; F269-I311 HydrophobicContact CB-CB 4.31Å; F269-I311 HydrophobicContact CD1-CB 3.86Å; F269-I311 HydrophobicContact CD1-CG2 3.25Å; F269-I311 HydrophobicContact CE1-CB 4.43Å; F269-I311 HydrophobicContact CE1-CG2 3.46Å; F269-I311 VanDerWaalsContact CE1-CG2 3.46Å; F269-I311 HydrophobicContact CG-CB 4.17Å; F269-I311 HydrophobicContact CG-CG2 4.04Å; F269-I311 HydrophobicContact CZ-CG2 4.38Å
270S90.2Very high90.7Very high45 Ų4557.1 Ų57.132%0.31533%0.329SS..EExtended strand (participates in β ladder)trans-114.4123-178.1-69.50000110.8V248 V272V248-S270 CarbonylContact O-C 3.58Å; V248-S270 WeakPolarHBondContact O-CA 3.42Å; S270-V272 PolarHBondContact O-N 3.17Å
271L89.3Confident90.6Very high1 Ų161.1 Ų61.11%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-83.5110.6167.2179.962.2000108.6Q247 V248 I284 A300 D302 R307 Q309Q247-L271 CarbonylContact C-O 3.57Å; Q247-L271 WeakPolarHBondContact CA-O 3.47Å; V248-L271 PolarHBondContact N-O 2.92Å; V248-L271 PolarHBondContact O-N 2.97Å; L271-I284 HydrophobicContact CD2-CD1 3.96Å; L271-I284 HydrophobicContact CD2-CG2 3.79Å; L271-A300 HydrophobicContact CD2-CB 4.4Å; L271-D302 HydrophobicContact CD2-CB 4.14Å; L271-R307 HydrophobicContact CD1-CB 4.45Å; L271-Q309 HydrophobicContact CD1-CB 4.07Å; L271-Q309 HydrophobicContact CD1-CG 3.8Å
272V89.2Confident90.5Very high69 Ų6957.4 Ų57.442%0.41833%0.327SS..EExtended strand (participates in β ladder)trans-104.5149.2-174.1-64.90000113.3Q247 S270Q247-V272 HydrophobicContact CB-CG1 4.1Å; S270-V272 PolarHBondContact O-N 3.17Å
273G86.9Confident90.5Very high29 Ų2956.4 Ų56.430%0.29932%0.323SS..  trans78.639.6173.400000114.1T246 R307T246-G273 WeakPolarHBondContact O-CA 3.46Å; T246-G273 PolarHBondContact O-N 3.49Å; G273-R307 VanDerWaalsContact CA-NH1 3.33Å; G273-R307 PolarHBondContact O-NH1 3.01Å
274I88.4Confident90.5Very high4 Ų455.5 Ų55.52%0.02132%0.318CS..PPolyproline II helixtrans-69.1131.2160.7-61.1162.9000107.2T246 V248 P282 I284T246-I274 VanDerWaalsContact CA-O 3.26Å; T246-I274 WeakPolarHBondContact CA-O 3.42Å; T246-I274 WeakPolarHBondContact CB-O 3.21Å; T246-I274 PolarHBondContact O-N 3.3Å; V248-I274 HydrophobicContact CB-CD1 4.03Å; V248-I274 HydrophobicContact CG2-CD1 3.5Å; V248-I274 VanDerWaalsContact CG2-CD1 3.5Å; I274-P282 HydrophobicContact CG2-CB 3.69Å; I274-P282 HydrophobicContact CG2-CG 3.74Å; I274-I284 HydrophobicContact CD1-CD1 3.69Å; I274-I284 HydrophobicContact CD1-CG1 4.35Å; I274-I284 HydrophobicContact CG1-CD1 4.12Å
275P89.7Confident90.7Very high68 Ų6851.7 Ų51.744%0.44230%0.302SS..PPolyproline II helixtrans-61.6140.6176.5-23.434.5000111.4A277 T305P275-A277 PolarHBondContact O-N 3.04Å; P275-A277 VanDerWaalsContact O-N 3.09Å; P275-T305 VanDerWaalsContact CD-CG2 3.48Å; P275-T305 HydrophobicContact CG-CG2 3.58Å
276P91.9Very high90.8Very high101 Ų10148.3 Ų48.366%0.65628%0.284SS*.PPolyproline II helixtrans-56.5117.7175.1-23.332000111.3T246T246-P276 HydrophobicContact CG2-CG 3.84Å
277A91.4Very high91Very high25 Ų2548 Ų4821%0.20728%0.283CS..  trans-142.5161.7177.800000109.9G244 P275 V281 P282G244-A277 PolarHBondContact N-O 3.42Å; P275-A277 PolarHBondContact O-N 3.04Å; P275-A277 VanDerWaalsContact O-N 3.09Å; A277-V281 HydrophobicContact CB-CB 4.08Å; A277-V281 HydrophobicContact CB-CG1 4.12Å; A277-P282 HydrophobicContact CB-CG 4.11Å
278P92Very high91.3Very high84 Ų8447.3 Ų47.355%0.54528%0.276SS..  trans-55149.2169.9-22.933.4000111.4V281P278-V281 HydrophobicContact CB-CG2 4.04Å; P278-V281 HydrophobicContact CG-CG2 4.34Å; P278-V281 WeakPolarHBondContact O-CB 3.15Å; P278-V281 WeakPolarHBondContact O-CG2 3.28Å; P278-V281 PolarHBondContact O-N 3.41Å
279R90.1Very high91.4Very high172 Ų17245.3 Ų45.365%0.64927%0.268SS*.THydrogen-bonded Turntrans-52.3144174.471.6-178.3-175.6165.40.1110.5D243 V281D243-R279 WeakPolarHBondContact OD1-CB 3.43Å; D243-R279 WeakPolarHBondContact OD1-CG 3.26Å; D243-R279 PolarHBondContact OD1-N 2.83Å; R279-V281 PolarHBondContact O-N 3.01Å
280G89Confident91.5Very high42 Ų4244.2 Ų44.243%0.43326%0.264SS..THydrogen-bonded Turntrans83-11.8-178.700000115.1S239 T240 Q283S239-G280 WeakPolarHBondContact OG-CA 3.32Å; S239-G280 PolarHBondContact OG-N 3.28Å; S239-G280 PolarHBondContact OG-O 3.31Å; T240-G280 PolarHBondContact O-N 2.93Å; G280-Q283 PolarHBondContact O-NE2 2.94Å
281V92.4Very high91.4Very high84 Ų8443.8 Ų43.851%0.50926%0.258SS..  trans-82.1-53.2-179.6177.30000112.6S239 A277 P278 R279 Q283S239-V281 PolarHBondContact OG-N 2.91Å; A277-V281 HydrophobicContact CB-CB 4.08Å; A277-V281 HydrophobicContact CB-CG1 4.12Å; P278-V281 HydrophobicContact CB-CG2 4.04Å; P278-V281 HydrophobicContact CG-CG2 4.34Å; P278-V281 WeakPolarHBondContact O-CB 3.15Å; P278-V281 WeakPolarHBondContact O-CG2 3.28Å; P278-V281 PolarHBondContact O-N 3.41Å; R279-V281 PolarHBondContact O-N 3.01Å; V281-Q283 PolarHBondContact O-N 3.17Å; V281-Q283 PolarHBondContact O-NE2 3.46Å
282P91.2Very high91.2Very high11 Ų1147.3 Ų47.37%0.07129%0.287CS..SBendtrans-59134.9178.2-24.336.4000111.7S239 T240 I274 A277 I284S239-P282 VanDerWaalsContact CA-O 3.32Å; S239-P282 WeakPolarHBondContact CA-O 3.39Å; S239-P282 VanDerWaalsContact CB-O 3.24Å; S239-P282 WeakPolarHBondContact CB-O 3.36Å; S239-P282 PolarHBondContact OG-O 2.9Å; T240-P282 HydrophobicContact CG2-CB 4.01Å; T240-P282 HydrophobicContact CG2-CG 3.75Å; T240-P282 WeakPolarHBondContact OG1-CD 3.49Å; I274-P282 HydrophobicContact CG2-CB 3.69Å; I274-P282 HydrophobicContact CG2-CG 3.74Å; A277-P282 HydrophobicContact CB-CG 4.11Å; P282-I284 HydrophobicContact CB-CD1 4.29Å
283Q92.9Very high90.8Very high84 Ų8450.3 Ų50.339%0.39330%0.301SS..  trans-108.396.2-176.7-63-64.5-5900109V237 G280 V281 R303V237-Q283 HydrophobicContact CG1-CB 3.95Å; G280-Q283 PolarHBondContact O-NE2 2.94Å; V281-Q283 PolarHBondContact O-N 3.17Å; V281-Q283 PolarHBondContact O-NE2 3.46Å; Q283-R303 HydrophobicContact CB-CB 4.12Å; Q283-R303 PolarHBondContact O-N 2.86Å
284I92.7Very high90.5Very high1 Ų150.6 Ų50.61%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-95.7103.5-177-49.8-50.9000108.7V237 F238 V248 L271 I274 P282 V286 A300 D302V237-I284 WeakPolarHBondContact CA-O 3.48Å; F238-I284 PolarHBondContact N-O 2.54Å; F238-I284 PolarHBondContact O-N 2.82Å; V248-I284 HydrophobicContact CG2-CG1 4.24Å; L271-I284 HydrophobicContact CD2-CD1 3.96Å; L271-I284 HydrophobicContact CD2-CG2 3.79Å; I274-I284 HydrophobicContact CD1-CD1 3.69Å; I274-I284 HydrophobicContact CD1-CG1 4.35Å; I274-I284 HydrophobicContact CG1-CD1 4.12Å; P282-I284 HydrophobicContact CB-CD1 4.29Å; I284-V286 HydrophobicContact CG2-CG2 4.32Å; I284-V286 PolarHBondContact O-N 3.16Å; I284-A300 HydrophobicContact CG2-CB 4.33Å; I284-D302 HydrophobicContact CD1-CB 3.8Å
285E94.8Very high90.4Very high40 Ų4053.1 Ų53.119%0.18732%0.317CS..EExtended strand (participates in β ladder)trans-81.9114.9174.8179.3166.1-138.600109.8V237 A300 R301 R303V237-E285 HydrophobicContact CG2-CB 4.36Å; E285-A300 CarbonylContact O-C 3.58Å; E285-A300 VanDerWaalsContact O-CA 3.26Å; E285-A300 WeakPolarHBondContact O-CA 3.42Å; E285-R301 PolarHBondContact N-O 2.86Å; E285-R301 PolarHBondContact O-N 2.89Å; E285-R303 HydrophobicContact CB-CG 4.18Å; E285-R303 IonicContact OE1-CZ 2.99Å; E285-R303 IonicContact OE1-NE 3.75Å; E285-R303 IonicContact OE1-NH2 2.73Å; E285-R303 PolarHBondContact OE1-NH2 3.21Å; E285-R303 IonicContact OE2-CZ 3.2Å; E285-R303 IonicContact OE2-NE 2.88Å; E285-R303 PolarHBondContact OE2-NE 2.91Å; E285-R303 IonicContact OE2-NH2 3.96Å; E285-R303 PolarHBondContact OE2-NH2 3.47Å
286V94.2Very high90.3Very high2 Ų250.3 Ų50.31%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-100.7125.9173.9-176.70000108.5I213 S235 Q236 F238 I250 I284 F288 V298 S299 A300I213-V286 HydrophobicContact CD1-CG2 4.4Å; I213-V286 HydrophobicContact CG2-CG1 4.41Å; S235-V286 CarbonylContact C-O 3.53Å; S235-V286 VanDerWaalsContact CA-O 3.29Å; S235-V286 WeakPolarHBondContact CA-O 3.46Å; Q236-V286 PolarHBondContact N-O 2.89Å; Q236-V286 PolarHBondContact O-N 3.31Å; F238-V286 HydrophobicContact CD2-CB 4.06Å; F238-V286 HydrophobicContact CD2-CG2 3.75Å; F238-V286 HydrophobicContact CE2-CB 4.11Å; F238-V286 HydrophobicContact CE2-CG2 4.25Å; I250-V286 HydrophobicContact CD1-CG2 3.75Å; I250-V286 HydrophobicContact CG2-CG1 4.49Å; I284-V286 HydrophobicContact CG2-CG2 4.32Å; I284-V286 PolarHBondContact O-N 3.16Å; V286-F288 HydrophobicContact CG1-CD2 4.11Å; V286-F288 HydrophobicContact CG1-CE2 3.71Å; V286-V298 HydrophobicContact CG1-CG1 4Å; V286-S299 CarbonylContact C-O 3.55Å; V286-S299 WeakPolarHBondContact CA-O 3.5Å; V286-A300 HydrophobicContact CG2-CB 4.22Å
287T94.8Very high90.3Very high16 Ų1649 Ų4910%0.09828%0.283CS..EExtended strand (participates in β ladder)trans-117.4127.3-178.4-62.10000110K233 K234 S235 V298 S299K233-T287 HydrophobicContact CD-CG2 4.35Å; K233-T287 VanDerWaalsContact CE-CG2 3.47Å; K233-T287 HydrophobicContact CG-CG2 3.94Å; K234-T287 CarbonylContact O-C 3.54Å; K234-T287 WeakPolarHBondContact O-CA 3.37Å; S235-T287 WeakPolarHBondContact OG-CG2 3.17Å; S235-T287 PolarHBondContact OG-OG1 2.86Å; T287-V298 CarbonylContact O-C 3.48Å; T287-V298 WeakPolarHBondContact O-CA 3.34Å; T287-S299 PolarHBondContact N-O 2.91Å; T287-S299 PolarHBondContact O-N 3.17Å
288F94.5Very high90.4Very high0 Ų047.8 Ų47.80%027%0.274CS..EExtended strand (participates in β ladder)trans-104.7126.8168.6-76.9-113.1000108.2L211 I213 L223 I224 K233 K234 V252 V286 V296 V298L211-F288 HydrophobicContact CB-CD1 4.02Å; L211-F288 HydrophobicContact CB-CE1 4.02Å; I213-F288 HydrophobicContact CG2-CE2 3.69Å; I213-F288 HydrophobicContact CG2-CZ 3.57Å; L223-F288 HydrophobicContact CB-CD2 4.18Å; L223-F288 HydrophobicContact CB-CE2 4.44Å; L223-F288 HydrophobicContact CD1-CE2 4.26Å; L223-F288 HydrophobicContact CD2-CD2 3.51Å; L223-F288 HydrophobicContact CD2-CE2 3.67Å; L223-F288 HydrophobicContact CG-CD2 4.35Å; L223-F288 HydrophobicContact CG-CE2 4.36Å; I224-F288 HydrophobicContact CD1-CB 3.57Å; I224-F288 HydrophobicContact CG1-CB 4.31Å; K233-F288 CarbonylContact C-O 3.43Å; K233-F288 VanDerWaalsContact CA-O 3.31Å; K233-F288 WeakPolarHBondContact CA-O 3.17Å; K234-F288 PolarHBondContact N-O 3.08Å; K234-F288 PolarHBondContact O-N 3.33Å; V252-F288 HydrophobicContact CG1-CE1 3.5Å; V252-F288 HydrophobicContact CG1-CZ 3.75Å; V252-F288 HydrophobicContact CG2-CZ 4.14Å; V286-F288 HydrophobicContact CG1-CD2 4.11Å; V286-F288 HydrophobicContact CG1-CE2 3.71Å; F288-V296 HydrophobicContact CD1-CG1 3.95Å; F288-V296 HydrophobicContact CE1-CG1 4.49Å; F288-V298 HydrophobicContact CD1-CG2 3.77Å; F288-V298 HydrophobicContact CD2-CG1 4.09Å; F288-V298 HydrophobicContact CE1-CG1 4.38Å; F288-V298 HydrophobicContact CE1-CG2 3.69Å; F288-V298 HydrophobicContact CE2-CG1 3.81Å; F288-V298 HydrophobicContact CG-CG1 4.49Å; F288-V298 HydrophobicContact CG-CG2 4.25Å; F288-V298 HydrophobicContact CZ-CG1 3.97Å; F288-V298 HydrophobicContact CZ-CG2 4.1Å
289D93.8Very high90.5Very high51 Ų5144.9 Ų44.927%0.27326%0.255SS..EExtended strand (participates in β ladder)trans-125.6116.8176.9-156.6-21.1000107.4K233 H297K233-D289 HydrophobicContact CG-CB 4.39Å; K233-D289 IonicContact NZ-OD2 3.31Å; K233-D289 PolarHBondContact NZ-OD2 2.83Å; D289-H297 HydrophobicContact CB-CB 4.18Å; D289-H297 PolarHBondContact N-O 3.4Å; D289-H297 PolarHBondContact O-N 2.96Å
290I91.5Very high90.6Very high0 Ų036.7 Ų36.70%022%0.224CC..EExtended strand (participates in β ladder)trans-106.7121.1177.2-47178000107.3T207 L211 I224 I230 P231 T232 I295 V296T207-I290 HydrophobicContact CG2-CD1 4.06Å; L211-I290 HydrophobicContact CD1-CD1 3.5Å; L211-I290 VanDerWaalsContact CD1-CD1 3.5Å; L211-I290 HydrophobicContact CD1-CG1 4.07Å; I224-I290 HydrophobicContact CD1-CD1 3.7Å; I224-I290 HydrophobicContact CD1-CG1 3.85Å; I224-I290 HydrophobicContact CG2-CD1 4.12Å; I230-I290 HydrophobicContact CB-CG2 4.38Å; I230-I290 HydrophobicContact CG2-CB 4.01Å; I230-I290 HydrophobicContact CG2-CD1 4.19Å; I230-I290 HydrophobicContact CG2-CG2 3.71Å; P231-I290 CarbonylContact C-O 3.54Å; P231-I290 WeakPolarHBondContact CA-O 3.45Å; P231-I290 VanDerWaalsContact CB-O 3.28Å; P231-I290 WeakPolarHBondContact CB-O 3.49Å; T232-I290 HydrophobicContact CG2-CB 4.27Å; T232-I290 HydrophobicContact CG2-CD1 3.96Å; T232-I290 HydrophobicContact CG2-CG1 4.19Å; T232-I290 PolarHBondContact N-O 3.01Å; T232-I290 PolarHBondContact O-N 3.13Å; I290-I295 WeakPolarHBondContact CA-O 3.26Å; I290-V296 HydrophobicContact CG1-CG2 4.39Å
291D89.5Confident90.8Very high36 Ų3640.4 Ų40.419%0.19323%0.225CC..  trans-76.9179.5177.981.6-6.7000112.1N293 G294 I295D291-N293 PolarHBondContact O-N 3.34Å; D291-N293 WeakPolarHBondContact OD1-CA 3.46Å; D291-N293 WeakPolarHBondContact OD1-CB 3.35Å; D291-N293 PolarHBondContact OD1-N 2.93Å; D291-N293 PolarHBondContact OD2-ND2 3.41Å; D291-N293 VanDerWaalsContact OD2-ND2 3.13Å; D291-G294 PolarHBondContact O-N 3.37Å; D291-G294 VanDerWaalsContact O-N 3.16Å; D291-G294 PolarHBondContact OD1-N 3.46Å; D291-I295 PolarHBondContact N-O 3.38Å; D291-I295 VanDerWaalsContact N-O 3.1Å; D291-I295 WeakPolarHBondContact OD1-CB 3.35Å; D291-I295 PolarHBondContact OD1-N 3.45Å
292A85.1Confident90.9Very high75 Ų7536.7 Ų36.762%0.6220%0.203SC*.THydrogen-bonded Turntrans-67.5-14.117900000113.8
293N79.9Confident91Very high131 Ų13142.7 Ų42.770%0.70122%0.224SC*.THydrogen-bonded Turntrans-950176.8-52.9-61.3000112.3D291 I295D291-N293 PolarHBondContact O-N 3.34Å; D291-N293 WeakPolarHBondContact OD1-CA 3.46Å; D291-N293 WeakPolarHBondContact OD1-CB 3.35Å; D291-N293 PolarHBondContact OD1-N 2.93Å; D291-N293 PolarHBondContact OD2-ND2 3.41Å; D291-N293 VanDerWaalsContact OD2-ND2 3.13Å; N293-I295 VanDerWaalsContact C-N 3.33Å; N293-I295 HydrophobicContact CB-CD1 4.37Å; N293-I295 HydrophobicContact CB-CG1 4.24Å
294G81.4Confident90.8Very high36 Ų3642 Ų4237%0.37124%0.239SC..  trans78.411.7-174.400000114.4D291D291-G294 PolarHBondContact O-N 3.37Å; D291-G294 VanDerWaalsContact O-N 3.16Å; D291-G294 PolarHBondContact OD1-N 3.46Å
295I85Confident90.6Very high56 Ų5644.7 Ų44.729%0.28726%0.255SS..PPolyproline II helixtrans-75130.3175.1-60.5174.9000108.9I290 D291 N293 V312I290-I295 WeakPolarHBondContact CA-O 3.26Å; D291-I295 PolarHBondContact N-O 3.38Å; D291-I295 VanDerWaalsContact N-O 3.1Å; D291-I295 WeakPolarHBondContact OD1-CB 3.35Å; D291-I295 PolarHBondContact OD1-N 3.45Å; N293-I295 VanDerWaalsContact C-N 3.33Å; N293-I295 HydrophobicContact CB-CD1 4.37Å; N293-I295 HydrophobicContact CB-CG1 4.24Å; I295-V312 HydrophobicContact CG2-CG1 4.04Å
296V88.7Confident90.4Very high10 Ų1044.3 Ų44.36%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-98.6116-176.1-173.90000110L211 F288 I290 V298 I313L211-V296 HydrophobicContact CD1-CG1 4.05Å; L211-V296 HydrophobicContact CD1-CG2 3.59Å; L211-V296 HydrophobicContact CD2-CG2 4.34Å; F288-V296 HydrophobicContact CD1-CG1 3.95Å; F288-V296 HydrophobicContact CE1-CG1 4.49Å; I290-V296 HydrophobicContact CG1-CG2 4.39Å; V296-V298 HydrophobicContact CG1-CG2 3.74Å; V296-I313 HydrophobicContact CB-CB 4.34Å; V296-I313 WeakPolarHBondContact O-CB 3.25Å; V296-I313 PolarHBondContact O-N 3.37Å
297H91.8Very high90.1Very high72 Ų7250.9 Ų50.933%0.33329%0.287SS..EExtended strand (participates in β ladder)trans-98.5122168.9-55.3-91.3000108.9D289D289-H297 HydrophobicContact CB-CB 4.18Å; D289-H297 PolarHBondContact N-O 3.4Å; D289-H297 PolarHBondContact O-N 2.96Å
298V92.9Very high89.9Confident1 Ų154.7 Ų54.71%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-115.9122.1176.9-168.90000108.9V252 F269 V286 T287 F288 V296 N310 I311 I313V252-V298 HydrophobicContact CG1-CG2 4.19Å; V252-V298 HydrophobicContact CG2-CB 4.26Å; V252-V298 HydrophobicContact CG2-CG1 3.96Å; V252-V298 HydrophobicContact CG2-CG2 4.04Å; F269-V298 HydrophobicContact CE1-CB 4.11Å; F269-V298 HydrophobicContact CE1-CG1 3.79Å; F269-V298 HydrophobicContact CZ-CB 4.37Å; F269-V298 HydrophobicContact CZ-CG1 3.82Å; V286-V298 HydrophobicContact CG1-CG1 4Å; T287-V298 CarbonylContact O-C 3.48Å; T287-V298 WeakPolarHBondContact O-CA 3.34Å; F288-V298 HydrophobicContact CD1-CG2 3.77Å; F288-V298 HydrophobicContact CD2-CG1 4.09Å; F288-V298 HydrophobicContact CE1-CG1 4.38Å; F288-V298 HydrophobicContact CE1-CG2 3.69Å; F288-V298 HydrophobicContact CE2-CG1 3.81Å; F288-V298 HydrophobicContact CG-CG1 4.49Å; F288-V298 HydrophobicContact CG-CG2 4.25Å; F288-V298 HydrophobicContact CZ-CG1 3.97Å; F288-V298 HydrophobicContact CZ-CG2 4.1Å; V296-V298 HydrophobicContact CG1-CG2 3.74Å; V298-N310 CarbonylContact O-C 3.5Å; V298-N310 VanDerWaalsContact O-CA 3.25Å; V298-N310 WeakPolarHBondContact O-CA 3.32Å; V298-N310 WeakPolarHBondContact O-CB 3Å; V298-I311 HydrophobicContact CB-CG2 4.03Å; V298-I311 PolarHBondContact N-O 3.11Å; V298-I311 PolarHBondContact O-N 3.16Å; V298-I313 HydrophobicContact CG2-CD1 3.75Å; V298-I313 HydrophobicContact CG2-CG1 4.36Å
299S93.6Very high89.6Confident22 Ų2258.9 Ų58.915%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-119.2153.817273.40000111.4V286 T287 E308 Q309V286-S299 CarbonylContact C-O 3.55Å; V286-S299 WeakPolarHBondContact CA-O 3.5Å; T287-S299 PolarHBondContact N-O 2.91Å; T287-S299 PolarHBondContact O-N 3.17Å; S299-E308 VanDerWaalsContact CB-OE1 3.29Å; S299-E308 WeakPolarHBondContact CB-OE1 3.23Å; S299-E308 PolarHBondContact OG-OE1 2.85Å; S299-Q309 CarbonylContact C-O 3.59Å; S299-Q309 WeakPolarHBondContact CA-O 3.27Å
300A93.3Very high89.2Confident0 Ų061.6 Ų61.60%034%0.338CS..EExtended strand (participates in β ladder)trans-135.5126.8173.800000110.1I250 F269 L271 I284 E285 V286 E308 Q309I250-A300 HydrophobicContact CD1-CB 3.07Å; F269-A300 HydrophobicContact CE2-CB 3.61Å; F269-A300 HydrophobicContact CZ-CB 4Å; L271-A300 HydrophobicContact CD2-CB 4.4Å; I284-A300 HydrophobicContact CG2-CB 4.33Å; E285-A300 CarbonylContact O-C 3.58Å; E285-A300 VanDerWaalsContact O-CA 3.26Å; E285-A300 WeakPolarHBondContact O-CA 3.42Å; V286-A300 HydrophobicContact CG2-CB 4.22Å; A300-E308 CarbonylContact O-C 3.56Å; A300-E308 VanDerWaalsContact O-CA 3.28Å; A300-E308 WeakPolarHBondContact O-CA 3.36Å; A300-Q309 PolarHBondContact N-O 3.18Å; A300-Q309 PolarHBondContact O-N 3.1Å
301R93.5Very high88.8Confident121 Ų12163.6 Ų63.646%0.45735%0.348SS..EExtended strand (participates in β ladder)trans-125.1127.4-177.9-174.8176.4179.1-165.5-2.2110.5E285 R303 R307 E308E285-R301 PolarHBondContact N-O 2.86Å; E285-R301 PolarHBondContact O-N 2.89Å; R301-R303 PolarHBondContact O-N 2.86Å; R301-R307 CarbonylContact C-O 3.6Å; R301-R307 VanDerWaalsContact CA-O 3.3Å; R301-R307 WeakPolarHBondContact CA-O 3.11Å; R301-E308 HydrophobicContact CB-CB 4.29Å; R301-E308 HydrophobicContact CB-CG 4.26Å; R301-E308 HydrophobicContact CG-CB 4.29Å
302D93.9Very high88.3Confident6 Ų665.2 Ų65.23%0.03236%0.359CS..EExtended strand (participates in β ladder)trans-75.4115166172.218.9000108.6L271 I284 G304 T305 G306 R307L271-D302 HydrophobicContact CD2-CB 4.14Å; I284-D302 HydrophobicContact CD1-CB 3.8Å; D302-G304 PolarHBondContact O-N 2.94Å; D302-G304 PolarHBondContact OD1-N 3.39Å; D302-T305 WeakPolarHBondContact CB-OG1 3.47Å; D302-T305 WeakPolarHBondContact OD2-CB 3.35Å; D302-T305 VanDerWaalsContact OD2-CG2 3.23Å; D302-T305 WeakPolarHBondContact OD2-CG2 3.45Å; D302-T305 PolarHBondContact OD2-N 2.88Å; D302-T305 PolarHBondContact OD2-OG1 3.18Å; D302-G306 VanDerWaalsContact O-CA 3.24Å; D302-G306 WeakPolarHBondContact O-CA 3.34Å; D302-G306 PolarHBondContact O-N 2.8Å; D302-R307 PolarHBondContact N-O 3.35Å
303R92.7Very high87.6Confident137 Ų13762.1 Ų62.152%0.51733%0.332SS..THydrogen-bonded Turntrans-65.9-22.1-180-69.4-175.8165.3-173.90.7112.9V237 Q283 E285 R301V237-R303 VanDerWaalsContact CG2-CZ 3.47Å; Q283-R303 HydrophobicContact CB-CB 4.12Å; Q283-R303 PolarHBondContact O-N 2.86Å; E285-R303 HydrophobicContact CB-CG 4.18Å; E285-R303 IonicContact OE1-CZ 2.99Å; E285-R303 IonicContact OE1-NE 3.75Å; E285-R303 IonicContact OE1-NH2 2.73Å; E285-R303 PolarHBondContact OE1-NH2 3.21Å; E285-R303 IonicContact OE2-CZ 3.2Å; E285-R303 IonicContact OE2-NE 2.88Å; E285-R303 PolarHBondContact OE2-NE 2.91Å; E285-R303 IonicContact OE2-NH2 3.96Å; E285-R303 PolarHBondContact OE2-NH2 3.47Å; R301-R303 PolarHBondContact O-N 2.86Å
304G88.6Confident86.7Confident69 Ų6962.6 Ų62.671%0.71133%0.33SS*.THydrogen-bonded Turntrans-77.1-50.3178.200000112.9D302D302-G304 PolarHBondContact O-N 2.94Å; D302-G304 PolarHBondContact OD1-N 3.39Å
305T89.6Confident85.5Confident57 Ų5766.1 Ų66.135%0.3535%0.349SS..THydrogen-bonded Turntrans-92-15.8-178.460.10000114.4P275 D302 R307P275-T305 VanDerWaalsContact CD-CG2 3.48Å; P275-T305 HydrophobicContact CG-CG2 3.58Å; D302-T305 WeakPolarHBondContact CB-OG1 3.47Å; D302-T305 WeakPolarHBondContact OD2-CB 3.35Å; D302-T305 VanDerWaalsContact OD2-CG2 3.23Å; D302-T305 WeakPolarHBondContact OD2-CG2 3.45Å; D302-T305 PolarHBondContact OD2-N 2.88Å; D302-T305 PolarHBondContact OD2-OG1 3.18Å; T305-R307 PolarHBondContact O-N 2.93Å; T305-R307 WeakPolarHBondContact OG1-CB 3.43Å; T305-R307 WeakPolarHBondContact OG1-CG 3.06Å; T305-R307 PolarHBondContact OG1-N 3.07Å
306G89.9Confident83.8Confident33 Ų3366 Ų6634%0.3435%0.353SS..  trans72.60.8-171.500000114.2D302D302-G306 VanDerWaalsContact O-CA 3.24Å; D302-G306 WeakPolarHBondContact O-CA 3.34Å; D302-G306 PolarHBondContact O-N 2.8Å
307R88.6Confident82.1Confident140 Ų14069.5 Ų69.553%0.52839%0.392SS..  trans-65.8137.2177.3-69.3-179.2179.6-160.92.7110.2L271 G273 R301 D302 T305L271-R307 HydrophobicContact CD1-CB 4.45Å; G273-R307 VanDerWaalsContact CA-NH1 3.33Å; G273-R307 PolarHBondContact O-NH1 3.01Å; R301-R307 CarbonylContact C-O 3.6Å; R301-R307 VanDerWaalsContact CA-O 3.3Å; R301-R307 WeakPolarHBondContact CA-O 3.11Å; D302-R307 PolarHBondContact N-O 3.35Å; T305-R307 PolarHBondContact O-N 2.93Å; T305-R307 WeakPolarHBondContact OG1-CB 3.43Å; T305-R307 WeakPolarHBondContact OG1-CG 3.06Å; T305-R307 PolarHBondContact OG1-N 3.07Å
308E90.8Very high80.8Confident95 Ų9569 Ų6944%0.44441%0.406SS..EExtended strand (participates in β ladder)trans-129.3145.6-179.2-174.2171.1-173.200110S299 A300 R301S299-E308 VanDerWaalsContact CB-OE1 3.29Å; S299-E308 WeakPolarHBondContact CB-OE1 3.23Å; S299-E308 PolarHBondContact OG-OE1 2.85Å; A300-E308 CarbonylContact O-C 3.56Å; A300-E308 VanDerWaalsContact O-CA 3.28Å; A300-E308 WeakPolarHBondContact O-CA 3.36Å; R301-E308 HydrophobicContact CB-CB 4.29Å; R301-E308 HydrophobicContact CB-CG 4.26Å; R301-E308 HydrophobicContact CG-CB 4.29Å
309Q87.5Confident79.7Confident89 Ų8972.7 Ų72.742%0.41643%0.425SS..EExtended strand (participates in β ladder)trans-135.3144.9166.6-72.5-62.8-33.700107.7F269 L271 S299 A300F269-Q309 HydrophobicContact CD2-CB 4.11Å; F269-Q309 HydrophobicContact CE2-CB 4.49Å; F269-Q309 WeakPolarHBondContact CE2-O 3.41Å; L271-Q309 HydrophobicContact CD1-CB 4.07Å; L271-Q309 HydrophobicContact CD1-CG 3.8Å; S299-Q309 CarbonylContact C-O 3.59Å; S299-Q309 WeakPolarHBondContact CA-O 3.27Å; A300-Q309 PolarHBondContact N-O 3.18Å; A300-Q309 PolarHBondContact O-N 3.1Å
310N86.1Confident79Confident107 Ų10775.6 Ų75.657%0.57244%0.439SS*.EExtended strand (participates in β ladder)trans-137.4161.3178.164.3-5.8000111V298V298-N310 CarbonylContact O-C 3.5Å; V298-N310 VanDerWaalsContact O-CA 3.25Å; V298-N310 WeakPolarHBondContact O-CA 3.32Å; V298-N310 WeakPolarHBondContact O-CB 3Å
311I82.4Confident78.4Confident42 Ų4282.7 Ų82.722%0.21547%0.47CS..EExtended strand (participates in β ladder)trans-134.2138.3169.6-169.4170.8000107.4F269 V298 I313F269-I311 HydrophobicContact CB-CB 4.31Å; F269-I311 HydrophobicContact CD1-CB 3.86Å; F269-I311 HydrophobicContact CD1-CG2 3.25Å; F269-I311 HydrophobicContact CE1-CB 4.43Å; F269-I311 HydrophobicContact CE1-CG2 3.46Å; F269-I311 VanDerWaalsContact CE1-CG2 3.46Å; F269-I311 HydrophobicContact CG-CB 4.17Å; F269-I311 HydrophobicContact CG-CG2 4.04Å; F269-I311 HydrophobicContact CZ-CG2 4.38Å; V298-I311 HydrophobicContact CB-CG2 4.03Å; V298-I311 PolarHBondContact N-O 3.11Å; V298-I311 PolarHBondContact O-N 3.16Å; I311-I313 HydrophobicContact CG1-CG1 4.45Å; I311-I313 HydrophobicContact CG2-CD1 4.3Å; I311-I313 HydrophobicContact CG2-CG1 3.89Å
312V80Confident78Confident70 Ų7082.6 Ų82.642%0.42448%0.478SS..EExtended strand (participates in β ladder)trans-93.8113.9165.6-1750000106.2I295 Q314I295-V312 HydrophobicContact CG2-CG1 4.04Å; V312-Q314 HydrophobicContact CG1-CG 4.05Å; V312-Q314 PolarHBondContact O-N 2.83Å
313I69.2Low77.6Confident11 Ų1186.7 Ų86.76%0.05650%0.497CS..EExtended strand (participates in β ladder)trans-89.697.4177.2-59.3-177.7000107V252 L266 V296 V298 I311V252-I313 HydrophobicContact CB-CD1 3.5Å; V252-I313 HydrophobicContact CG1-CD1 3.37Å; V252-I313 HydrophobicContact CG2-CD1 3.86Å; L266-I313 HydrophobicContact CB-CD1 4Å; L266-I313 HydrophobicContact CB-CG2 3.6Å; L266-I313 HydrophobicContact CD1-CG2 4.11Å; L266-I313 HydrophobicContact CG-CG2 4.32Å; V296-I313 HydrophobicContact CB-CB 4.34Å; V296-I313 WeakPolarHBondContact O-CB 3.25Å; V296-I313 PolarHBondContact O-N 3.37Å; V298-I313 HydrophobicContact CG2-CD1 3.75Å; V298-I313 HydrophobicContact CG2-CG1 4.36Å; I311-I313 HydrophobicContact CG1-CG1 4.45Å; I311-I313 HydrophobicContact CG2-CD1 4.3Å; I311-I313 HydrophobicContact CG2-CG1 3.89Å
314Q61.8Low77.1Confident140 Ų14083.9 Ų83.965%0.65449%0.492SS*.  trans-88.8144.6162.9-60.9178.9-24.100107.2V312 S316V312-Q314 HydrophobicContact CG1-CG 4.05Å; V312-Q314 PolarHBondContact O-N 2.83Å; Q314-S316 PolarHBondContact O-N 2.66Å
315S55.9Low77.1Confident110 Ų11084.1 Ų84.177%0.76947%0.474SS*.  trans-37.2103.8-177.9-58.40000111.6G317 G318S315-G317 PolarHBondContact O-N 3.09Å; S315-G318 PolarHBondContact O-N 3.17Å
316S48.2Very low77.2Confident54 Ų5485.3 Ų85.338%0.37848%0.479SS..THydrogen-bonded Turntrans-62.6102.4-169.958.30000109.2L266 Q314L266-S316 WeakPolarHBondContact O-CB 3.32Å; Q314-S316 PolarHBondContact O-N 2.66Å
317G54.5Low77.1Confident84 Ų8488.8 Ų88.887%0.86649%0.487SS*.THydrogen-bonded Turntrans143-12.1-163.500000113S315S315-G317 PolarHBondContact O-N 3.09Å
318G62.9Low77.1Confident61 Ų6186.3 Ų86.363%0.62948%0.483SS*.PPolyproline II helixtrans-67.8157.5175.800000114.6S315S315-G318 PolarHBondContact O-N 3.17Å
319L71.1Confident77.1Confident79 Ų7988.6 Ų88.641%0.41449%0.488SS..PPolyproline II helixtrans-69.6139.3174.2-61163.6000110.1Q323 I324 M327L319-Q323 HydrophobicContact CB-CB 4.05Å; L319-Q323 HydrophobicContact CD2-CB 4.11Å; L319-I324 HydrophobicContact CB-CD1 4.38Å; L319-I324 HydrophobicContact CB-CG1 3.71Å; L319-I324 HydrophobicContact CD1-CG1 4.42Å; L319-M327 HydrophobicContact CD1-CE 3.96Å; L319-M327 HydrophobicContact CD1-SD 3.33Å; L319-M327 WeakPolarHBondContact CD1-SD 3.49Å; L319-M327 HydrophobicContact CD2-CE 3.72Å; L319-M327 HydrophobicContact CD2-SD 4.16Å; L319-M327 HydrophobicContact CG-SD 4.37Å
320N78.3Confident77.2Confident83 Ų8388.3 Ų88.344%0.44449%0.487SS..PPolyproline II helixtrans-73.2167.8170.471.436.7000111D322 Q323 I324N320-D322 VanDerWaalsContact C-N 3.28Å; N320-D322 PolarHBondContact O-N 3.28Å; N320-D322 PolarHBondContact OD1-N 3.16Å; N320-D322 VanDerWaalsContact OD1-N 3.12Å; N320-Q323 PolarHBondContact ND2-OE1 3.27Å; N320-Q323 WeakPolarHBondContact O-CB 3.49Å; N320-Q323 PolarHBondContact O-N 3.2Å; N320-Q323 VanDerWaalsContact O-N 3.14Å; N320-Q323 WeakPolarHBondContact OD1-CB 3.46Å; N320-Q323 WeakPolarHBondContact OD1-CG 3.31Å; N320-Q323 PolarHBondContact OD1-N 3.3Å; N320-I324 WeakPolarHBondContact O-CG1 3.48Å; N320-I324 PolarHBondContact O-N 3.23Å
321K81Confident77.3Confident148 Ų14886 Ų8664%0.64348%0.483SS*.Hα-helixtrans-56.9-40.3-176.8-167.8-179177.4-167.80112.8I324 E325K321-I324 PolarHBondContact O-N 3.35Å; K321-E325 VanDerWaalsContact CE-OE1 3.25Å; K321-E325 WeakPolarHBondContact CE-OE1 3.47Å; K321-E325 IonicContact NZ-OE1 3.56Å; K321-E325 WeakPolarHBondContact O-CG 3.36Å; K321-E325 PolarHBondContact O-N 2.82Å
322D85.1Confident77.7Confident119 Ų11990.1 Ų90.164%0.63650%0.501SS*.Hα-helixtrans-67.5-38.4179.7-60.2-20.5000111.8N320 N326N320-D322 VanDerWaalsContact C-N 3.28Å; N320-D322 PolarHBondContact O-N 3.28Å; N320-D322 PolarHBondContact OD1-N 3.16Å; N320-D322 VanDerWaalsContact OD1-N 3.12Å; D322-N326 WeakPolarHBondContact O-CB 3.29Å; D322-N326 PolarHBondContact O-N 2.63Å
323Q84.8Confident78.2Confident92 Ų9292.1 Ų92.143%0.4350%0.504SS..Hα-helixtrans-65.6-43173.9-72.1173.3-5100111.2L319 N320 N326 M327L319-Q323 HydrophobicContact CB-CB 4.05Å; L319-Q323 HydrophobicContact CD2-CB 4.11Å; N320-Q323 PolarHBondContact ND2-OE1 3.27Å; N320-Q323 WeakPolarHBondContact O-CB 3.49Å; N320-Q323 PolarHBondContact O-N 3.2Å; N320-Q323 VanDerWaalsContact O-N 3.14Å; N320-Q323 WeakPolarHBondContact OD1-CB 3.46Å; N320-Q323 WeakPolarHBondContact OD1-CG 3.31Å; N320-Q323 PolarHBondContact OD1-N 3.3Å; Q323-N326 PolarHBondContact O-N 2.89Å; Q323-M327 WeakPolarHBondContact O-CB 3.29Å; Q323-M327 WeakPolarHBondContact O-CG 3.22Å; Q323-M327 PolarHBondContact O-N 2.8Å
324I82.2Confident79.2Confident79 Ų7995.8 Ų95.841%0.40552%0.521SS..Hα-helixtrans-60.5-49.8175.4-66.9169.6000109.9L319 N320 K321 N326 M327 I328L319-I324 HydrophobicContact CB-CD1 4.38Å; L319-I324 HydrophobicContact CB-CG1 3.71Å; L319-I324 HydrophobicContact CD1-CG1 4.42Å; N320-I324 WeakPolarHBondContact O-CG1 3.48Å; N320-I324 PolarHBondContact O-N 3.23Å; K321-I324 PolarHBondContact O-N 3.35Å; I324-N326 VanDerWaalsContact C-N 3.32Å; I324-N326 PolarHBondContact O-N 2.84Å; I324-M327 PolarHBondContact O-N 2.91Å; I324-I328 HydrophobicContact CG2-CD1 3.87Å; I324-I328 HydrophobicContact CG2-CG1 4.46Å; I324-I328 VanDerWaalsContact O-CG1 3.31Å; I324-I328 WeakPolarHBondContact O-CG1 3.27Å; I324-I328 PolarHBondContact O-N 2.85Å
325E89.3Confident80.5Confident73 Ų7391.9 Ų91.934%0.34151%0.512SS..Hα-helixtrans-61.4-39.6178.5-74.3-178.5-165.600112.4K321 I328 R329K321-E325 VanDerWaalsContact CE-OE1 3.25Å; K321-E325 WeakPolarHBondContact CE-OE1 3.47Å; K321-E325 IonicContact NZ-OE1 3.56Å; K321-E325 WeakPolarHBondContact O-CG 3.36Å; K321-E325 PolarHBondContact O-N 2.82Å; E325-I328 PolarHBondContact O-N 2.78Å; E325-R329 WeakPolarHBondContact O-CG 3.47Å; E325-R329 PolarHBondContact O-N 3.12Å; E325-R329 VanDerWaalsContact O-N 3.11Å; E325-R329 IonicContact OE2-NH2 2.72Å
326N91.3Very high82.1Confident83 Ų8390.7 Ų90.744%0.44450%0.495SS..Hα-helixtrans-65.7-42.2175.8-168.963.4000111.9D322 Q323 I324 I328 R329 E330D322-N326 WeakPolarHBondContact O-CB 3.29Å; D322-N326 PolarHBondContact O-N 2.63Å; Q323-N326 PolarHBondContact O-N 2.89Å; I324-N326 VanDerWaalsContact C-N 3.32Å; I324-N326 PolarHBondContact O-N 2.84Å; N326-I328 VanDerWaalsContact C-N 3.34Å; N326-I328 PolarHBondContact O-N 2.89Å; N326-R329 PolarHBondContact O-N 3.15Å; N326-E330 WeakPolarHBondContact O-CG 3.5Å; N326-E330 PolarHBondContact O-N 2.86Å
327M88.1Confident84Confident105 Ų10591.7 Ų91.752%0.51749%0.493SS..Hα-helixtrans-64.9-36.4175.8-74.9-175172.700112.5L319 Q323 I324 E330 A331L319-M327 HydrophobicContact CD1-CE 3.96Å; L319-M327 HydrophobicContact CD1-SD 3.33Å; L319-M327 WeakPolarHBondContact CD1-SD 3.49Å; L319-M327 HydrophobicContact CD2-CE 3.72Å; L319-M327 HydrophobicContact CD2-SD 4.16Å; L319-M327 HydrophobicContact CG-SD 4.37Å; Q323-M327 WeakPolarHBondContact O-CB 3.29Å; Q323-M327 WeakPolarHBondContact O-CG 3.22Å; Q323-M327 PolarHBondContact O-N 2.8Å; I324-M327 PolarHBondContact O-N 2.91Å; M327-E330 PolarHBondContact O-N 2.8Å; M327-A331 VanDerWaalsContact O-CB 3.31Å; M327-A331 WeakPolarHBondContact O-CB 3.36Å; M327-A331 PolarHBondContact O-N 2.9Å
328I88.8Confident85.7Confident88 Ų8892 Ų9245%0.45148%0.475SS..Hα-helixtrans-61-47.4173.6-70.2167000110.1I324 E325 N326 E330 A331 E332I324-I328 HydrophobicContact CG2-CD1 3.87Å; I324-I328 HydrophobicContact CG2-CG1 4.46Å; I324-I328 VanDerWaalsContact O-CG1 3.31Å; I324-I328 WeakPolarHBondContact O-CG1 3.27Å; I324-I328 PolarHBondContact O-N 2.85Å; E325-I328 PolarHBondContact O-N 2.78Å; N326-I328 VanDerWaalsContact C-N 3.34Å; N326-I328 PolarHBondContact O-N 2.89Å; I328-E330 PolarHBondContact O-N 3.1Å; I328-A331 PolarHBondContact O-N 3.46Å; I328-E332 WeakPolarHBondContact O-CG 3.33Å; I328-E332 PolarHBondContact O-N 3.41Å
329R90.8Very high87Confident144 Ų14494.2 Ų94.254%0.54347%0.467SS..Hα-helixtrans-62.8-41.7178.4-67.6178.6-143.4152.25.4112.6E325 N326 E332 K333E325-R329 WeakPolarHBondContact O-CG 3.47Å; E325-R329 PolarHBondContact O-N 3.12Å; E325-R329 VanDerWaalsContact O-N 3.11Å; E325-R329 IonicContact OE2-NH2 2.72Å; N326-R329 PolarHBondContact O-N 3.15Å; R329-E332 PolarHBondContact O-N 3.26Å; R329-K333 PolarHBondContact O-N 3.08Å
330E89.5Confident87.8Confident82 Ų8296.1 Ų96.138%0.38347%0.473SS..Hα-helixtrans-65.4-40175.9-70.8-65.5123.200111.4N326 M327 I328 K333 H334N326-E330 WeakPolarHBondContact O-CG 3.5Å; N326-E330 PolarHBondContact O-N 2.86Å; M327-E330 PolarHBondContact O-N 2.8Å; I328-E330 PolarHBondContact O-N 3.1Å; E330-K333 PolarHBondContact O-N 3.06Å; E330-H334 PolarHBondContact O-CD2 3.03Å; E330-H334 PolarHBondContact O-N 3.16Å
331A88.6Confident88.4Confident60 Ų6098.5 Ų98.550%0.49648%0.479SS..Hα-helixtrans-63.5-41.4175.100000112.3M327 I328 H334 A335M327-A331 VanDerWaalsContact O-CB 3.31Å; M327-A331 WeakPolarHBondContact O-CB 3.36Å; M327-A331 PolarHBondContact O-N 2.9Å; I328-A331 PolarHBondContact O-N 3.46Å; A331-H334 PolarHBondContact O-N 3.47Å; A331-A335 WeakPolarHBondContact O-CB 3.39Å; A331-A335 PolarHBondContact O-N 3.48Å
332E91.2Very high88.8Confident128 Ų12897.7 Ų97.760%0.59848%0.475SS*.Hα-helixtrans-63.2-40.8174.6-73.7175.1169.200112I328 R329 A335 E336I328-E332 WeakPolarHBondContact O-CG 3.33Å; I328-E332 PolarHBondContact O-N 3.41Å; R329-E332 PolarHBondContact O-N 3.26Å; E332-A335 PolarHBondContact O-N 3.13Å; E332-E336 PolarHBondContact O-N 3.34Å; E332-E336 VanDerWaalsContact O-N 3.12Å
333K90.4Very high89.1Confident111 Ų11194.4 Ų94.448%0.48346%0.456SS..Hα-helixtrans-62.4-45.5174.7-179.3-173.2167.8-1630111.6R329 E330 A335 E336 E337R329-K333 PolarHBondContact O-N 3.08Å; E330-K333 PolarHBondContact O-N 3.06Å; K333-A335 VanDerWaalsContact C-N 3.35Å; K333-E336 PolarHBondContact O-N 3.2Å; K333-E337 PolarHBondContact O-N 2.86Å; K333-E337 VanDerWaalsContact O-N 3.07Å
334H89.4Confident89.4Confident88 Ų8891.3 Ų91.341%0.40745%0.446SS..Hα-helixtrans-65.3-37.1175.9-72.3-48.7000112.4E330 A331 E336 E337 D338E330-H334 PolarHBondContact O-CD2 3.03Å; E330-H334 PolarHBondContact O-N 3.16Å; A331-H334 PolarHBondContact O-N 3.47Å; H334-E336 VanDerWaalsContact C-N 3.26Å; H334-E336 PolarHBondContact O-N 3.42Å; H334-E337 IonicContact CE1-OE2 2.7Å; H334-E337 IonicContact ND1-OE2 3.92Å; H334-E337 PolarHBondContact ND1-OE2 3.15Å; H334-E337 VanDerWaalsContact ND1-OE2 3.08Å; H334-E337 WeakPolarHBondContact O-CB 3.37Å; H334-E337 PolarHBondContact O-N 2.84Å; H334-E337 VanDerWaalsContact O-N 3.16Å; H334-D338 WeakPolarHBondContact O-CB 3.34Å; H334-D338 VanDerWaalsContact O-CG 3.28Å; H334-D338 PolarHBondContact O-N 3.09Å
335A89.8Confident89.9Confident58 Ų5891.2 Ų91.248%0.47945%0.449SS..Hα-helixtrans-59.7-36.7174.300000112.3A331 E332 K333 K339A331-A335 WeakPolarHBondContact O-CB 3.39Å; A331-A335 PolarHBondContact O-N 3.48Å; E332-A335 PolarHBondContact O-N 3.13Å; K333-A335 VanDerWaalsContact C-N 3.35Å; A335-K339 WeakPolarHBondContact O-CB 3.44Å; A335-K339 PolarHBondContact O-N 3.31Å
336E88.8Confident90.1Very high86 Ų8692 Ų9240%0.40245%0.453SS..Hα-helixtrans-72.1-38.8174.7-175.559.1-15500112.4E332 K333 H334 D338 K339 K340E332-E336 PolarHBondContact O-N 3.34Å; E332-E336 VanDerWaalsContact O-N 3.12Å; K333-E336 PolarHBondContact O-N 3.2Å; H334-E336 VanDerWaalsContact C-N 3.26Å; H334-E336 PolarHBondContact O-N 3.42Å; E336-D338 VanDerWaalsContact C-N 3.34Å; E336-K339 PolarHBondContact O-N 2.84Å; E336-K340 WeakPolarHBondContact O-CG 3.44Å; E336-K340 PolarHBondContact O-N 3.17Å; E336-K340 WeakPolarHBondContact OE1-CE 3.31Å
337E88.8Confident90.1Very high75 Ų7588 Ų8835%0.3543%0.432SS..Hα-helixtrans-61.2-42.4172-70.1172.5-179.300111.6K333 H334 K340 K341K333-E337 PolarHBondContact O-N 2.86Å; K333-E337 VanDerWaalsContact O-N 3.07Å; H334-E337 IonicContact CE1-OE2 2.7Å; H334-E337 IonicContact ND1-OE2 3.92Å; H334-E337 PolarHBondContact ND1-OE2 3.15Å; H334-E337 VanDerWaalsContact ND1-OE2 3.08Å; H334-E337 WeakPolarHBondContact O-CB 3.37Å; H334-E337 PolarHBondContact O-N 2.84Å; H334-E337 VanDerWaalsContact O-N 3.16Å; E337-K340 PolarHBondContact O-N 3.1Å; E337-K341 WeakPolarHBondContact O-CG 3.42Å; E337-K341 PolarHBondContact O-N 3.06Å
338D90.5Very high90.4Very high91 Ų9183.8 Ų83.849%0.48741%0.411SS..Hα-helixtrans-69-38.9178.3-71.1-21.2000111.9H334 E336 K340 K341 K342H334-D338 WeakPolarHBondContact O-CB 3.34Å; H334-D338 VanDerWaalsContact O-CG 3.28Å; H334-D338 PolarHBondContact O-N 3.09Å; E336-D338 VanDerWaalsContact C-N 3.34Å; D338-K340 VanDerWaalsContact C-N 3.35Å; D338-K340 PolarHBondContact O-N 3.38Å; D338-K341 PolarHBondContact O-N 3.13Å; D338-K342 WeakPolarHBondContact O-CB 3.36Å; D338-K342 PolarHBondContact O-N 2.77Å
339K90.3Very high90.6Very high106 Ų10684.1 Ų84.146%0.46141%0.414SS..Hα-helixtrans-59.5-44.5172.5-176.7-176.5170.8-1640111.5A335 E336 K342 E343A335-K339 WeakPolarHBondContact O-CB 3.44Å; A335-K339 PolarHBondContact O-N 3.31Å; E336-K339 PolarHBondContact O-N 2.84Å; K339-K342 WeakPolarHBondContact O-CB 3.4Å; K339-K342 PolarHBondContact O-N 3.29Å; K339-E343 VanDerWaalsContact CE-OE1 3.23Å; K339-E343 WeakPolarHBondContact CE-OE1 3.41Å; K339-E343 WeakPolarHBondContact O-CG 3.45Å; K339-E343 PolarHBondContact O-N 2.7Å
340K88Confident90.7Very high120 Ų12081.4 Ų81.452%0.52241%0.407SS..Hα-helixtrans-63-43.1175.9-72.6173.1-177.21740112.5E336 E337 D338 K342 E343 A344E336-K340 WeakPolarHBondContact O-CG 3.44Å; E336-K340 PolarHBondContact O-N 3.17Å; E336-K340 WeakPolarHBondContact OE1-CE 3.31Å; E337-K340 PolarHBondContact O-N 3.1Å; D338-K340 VanDerWaalsContact C-N 3.35Å; D338-K340 PolarHBondContact O-N 3.38Å; K340-K342 VanDerWaalsContact C-N 3.34Å; K340-E343 PolarHBondContact O-N 3Å; K340-A344 PolarHBondContact O-N 3.1Å
341K89.1Confident91Very high132 Ų13277.5 Ų77.557%0.57439%0.389SS*.Hα-helixtrans-61.7-42.8174.3-72.7174.1-173.5163.60111.4E337 D338 A344 V345E337-K341 WeakPolarHBondContact O-CG 3.42Å; E337-K341 PolarHBondContact O-N 3.06Å; D338-K341 PolarHBondContact O-N 3.13Å; K341-A344 WeakPolarHBondContact O-CB 3.12Å; K341-A344 PolarHBondContact O-N 2.84Å; K341-V345 WeakPolarHBondContact O-CG2 3.42Å; K341-V345 PolarHBondContact O-N 3.27Å
342K90.9Very high91.3Very high132 Ų13279.4 Ų79.457%0.57439%0.387SS*.Hα-helixtrans-59.5-48.3175178.1179.4171.7179.80111.2D338 K339 K340 A344 V345 E346D338-K342 WeakPolarHBondContact O-CB 3.36Å; D338-K342 PolarHBondContact O-N 2.77Å; K339-K342 WeakPolarHBondContact O-CB 3.4Å; K339-K342 PolarHBondContact O-N 3.29Å; K340-K342 VanDerWaalsContact C-N 3.34Å; K342-A344 VanDerWaalsContact C-N 3.3Å; K342-A344 PolarHBondContact O-N 3.23Å; K342-V345 PolarHBondContact O-N 3.02Å; K342-E346 WeakPolarHBondContact CE-OE1 3.19Å; K342-E346 HydrophobicContact CG-CG 4.41Å; K342-E346 IonicContact NZ-OE1 2.8Å; K342-E346 WeakPolarHBondContact O-CB 3.39Å; K342-E346 WeakPolarHBondContact O-CG 3.34Å; K342-E346 PolarHBondContact O-N 2.94Å
343E91.7Very high91.5Very high49 Ų4974.8 Ų74.823%0.22938%0.375CS..Hα-helixtrans-60.9-38.3177.8-74.6174.2-17500112.4K339 K340 A347 P396K339-E343 VanDerWaalsContact CE-OE1 3.23Å; K339-E343 WeakPolarHBondContact CE-OE1 3.41Å; K339-E343 WeakPolarHBondContact O-CG 3.45Å; K339-E343 PolarHBondContact O-N 2.7Å; K340-E343 PolarHBondContact O-N 3Å; E343-A347 WeakPolarHBondContact O-CB 3.48Å; E343-A347 PolarHBondContact O-N 3.1Å; E343-P396 HydrophobicContact CB-CB 4.4Å; E343-P396 HydrophobicContact CB-CG 4.37Å
344A90.5Very high91.7Very high27 Ų2770.4 Ų70.422%0.22336%0.356CS..Hα-helixtrans-63.2-49173.700000111.8K340 K341 K342 E346 A347 I348 P396K340-A344 PolarHBondContact O-N 3.1Å; K341-A344 WeakPolarHBondContact O-CB 3.12Å; K341-A344 PolarHBondContact O-N 2.84Å; K342-A344 VanDerWaalsContact C-N 3.3Å; K342-A344 PolarHBondContact O-N 3.23Å; A344-E346 PolarHBondContact O-N 2.88Å; A344-A347 PolarHBondContact O-N 3.08Å; A344-I348 VanDerWaalsContact O-CD1 3.32Å; A344-I348 WeakPolarHBondContact O-CD1 3.34Å; A344-I348 VanDerWaalsContact O-CG1 3.24Å; A344-I348 WeakPolarHBondContact O-CG1 3.46Å; A344-I348 PolarHBondContact O-N 2.9Å; A344-P396 HydrophobicContact CB-CG 3.99Å
345V91.8Very high92Very high78 Ų7866.6 Ų66.647%0.47334%0.339SS..Hα-helixtrans-61.8-42.4177.8172.20000111.3K341 K342 I348 N349K341-V345 WeakPolarHBondContact O-CG2 3.42Å; K341-V345 PolarHBondContact O-N 3.27Å; K342-V345 PolarHBondContact O-N 3.02Å; V345-I348 PolarHBondContact O-N 3.02Å; V345-N349 WeakPolarHBondContact O-CB 3.44Å; V345-N349 PolarHBondContact O-N 3.23Å; V345-N349 PolarHBondContact O-ND2 3.09Å
346E93Very high92.3Very high88 Ų8869.7 Ų69.741%0.41134%0.343SS..Hα-helixtrans-62.5-42.7175.8-74.8176.2170.400112K342 A344 N349 Q350K342-E346 WeakPolarHBondContact CE-OE1 3.19Å; K342-E346 HydrophobicContact CG-CG 4.41Å; K342-E346 IonicContact NZ-OE1 2.8Å; K342-E346 WeakPolarHBondContact O-CB 3.39Å; K342-E346 WeakPolarHBondContact O-CG 3.34Å; K342-E346 PolarHBondContact O-N 2.94Å; A344-E346 PolarHBondContact O-N 2.88Å; E346-N349 PolarHBondContact O-N 3.18Å; E346-Q350 VanDerWaalsContact O-CB 3.3Å; E346-Q350 WeakPolarHBondContact O-CB 3.3Å; E346-Q350 PolarHBondContact O-N 3.41Å
347A93.2Very high92.5Very high0 Ų069.5 Ų69.50%035%0.345CS..Hα-helixtrans-63.1-42.5175.800000112.1E343 A344 A351 P396 I399 R400E343-A347 WeakPolarHBondContact O-CB 3.48Å; E343-A347 PolarHBondContact O-N 3.1Å; A344-A347 PolarHBondContact O-N 3.08Å; A347-A351 WeakPolarHBondContact O-CB 3.19Å; A347-A351 PolarHBondContact O-N 3.21Å; A347-P396 HydrophobicContact CB-CB 4.29Å; A347-I399 HydrophobicContact CB-CB 4.18Å; A347-I399 HydrophobicContact CB-CG2 4.06Å; A347-I399 WeakPolarHBondContact O-CG2 3.42Å; A347-R400 HydrophobicContact CB-CG 3.85Å
348I92.7Very high92.8Very high16 Ų1666 Ų668%0.08233%0.329CS..Hα-helixtrans-61.1-51.3175.3-70156.3000110.6A344 V345 Q350 A351 E352 L388 K391 I399A344-I348 VanDerWaalsContact O-CD1 3.32Å; A344-I348 WeakPolarHBondContact O-CD1 3.34Å; A344-I348 VanDerWaalsContact O-CG1 3.24Å; A344-I348 WeakPolarHBondContact O-CG1 3.46Å; A344-I348 PolarHBondContact O-N 2.9Å; V345-I348 PolarHBondContact O-N 3.02Å; I348-Q350 VanDerWaalsContact C-N 3.31Å; I348-Q350 PolarHBondContact O-N 2.8Å; I348-A351 WeakPolarHBondContact O-CB 3.18Å; I348-A351 PolarHBondContact O-N 3.33Å; I348-A351 VanDerWaalsContact O-N 3.14Å; I348-E352 HydrophobicContact CG2-CG 4.42Å; I348-E352 WeakPolarHBondContact O-CG 3.29Å; I348-E352 PolarHBondContact O-N 3.01Å; I348-L388 HydrophobicContact CB-CD2 4.17Å; I348-L388 HydrophobicContact CG1-CD2 3.98Å; I348-L388 HydrophobicContact CG2-CD2 4.11Å; I348-K391 HydrophobicContact CD1-CB 3.93Å; I348-K391 HydrophobicContact CD1-CD 3.72Å; I348-K391 HydrophobicContact CD1-CG 4.36Å; I348-K391 HydrophobicContact CG1-CB 4.27Å; I348-K391 HydrophobicContact CG1-CD 4.41Å; I348-I399 HydrophobicContact CG1-CD1 4Å
349N93.3Very high92.9Very high95 Ų9565 Ų6551%0.50832%0.321SS..Hα-helixtrans-61.4-40.8-179.1-70.6-15.2000111.6V345 E346 G353V345-N349 WeakPolarHBondContact O-CB 3.44Å; V345-N349 PolarHBondContact O-N 3.23Å; V345-N349 PolarHBondContact O-ND2 3.09Å; E346-N349 PolarHBondContact O-N 3.18Å; N349-G353 PolarHBondContact O-N 3.31Å
350Q94.1Very high93.1Very high87 Ų8762.4 Ų62.441%0.40732%0.319SS..Hα-helixtrans-63.2-42.5175.6-175-178.4-1.300111.4E346 I348 I354 T403E346-Q350 VanDerWaalsContact O-CB 3.3Å; E346-Q350 WeakPolarHBondContact O-CB 3.3Å; E346-Q350 PolarHBondContact O-N 3.41Å; I348-Q350 VanDerWaalsContact C-N 3.31Å; I348-Q350 PolarHBondContact O-N 2.8Å; Q350-I354 HydrophobicContact CG-CD1 3.92Å; Q350-I354 WeakPolarHBondContact O-CB 3.48Å; Q350-I354 WeakPolarHBondContact O-CG1 3.3Å; Q350-I354 PolarHBondContact O-N 3.36Å; Q350-T403 HydrophobicContact CG-CG2 4.26Å
351A95.1Very high93.2Very high0 Ų061.3 Ų61.30%031%0.312CS..Hα-helixtrans-63.8-48.4177.300000112.3A347 I348 G353 I354 I355 V384 L388 I399 T403A347-A351 WeakPolarHBondContact O-CB 3.19Å; A347-A351 PolarHBondContact O-N 3.21Å; I348-A351 WeakPolarHBondContact O-CB 3.18Å; I348-A351 PolarHBondContact O-N 3.33Å; I348-A351 VanDerWaalsContact O-N 3.14Å; A351-G353 VanDerWaalsContact C-N 3.35Å; A351-G353 PolarHBondContact O-N 3.36Å; A351-I354 PolarHBondContact O-N 3.14Å; A351-I355 WeakPolarHBondContact O-CB 3.41Å; A351-I355 VanDerWaalsContact O-CG1 3.3Å; A351-I355 WeakPolarHBondContact O-CG1 3.13Å; A351-I355 PolarHBondContact O-N 2.8Å; A351-V384 HydrophobicContact CB-CG1 3.9Å; A351-L388 HydrophobicContact CB-CD1 3.97Å; A351-L388 HydrophobicContact CB-CD2 3.83Å; A351-L388 HydrophobicContact CB-CG 4.29Å; A351-I399 HydrophobicContact CB-CG2 3.85Å; A351-T403 WeakPolarHBondContact CA-OG1 3.46Å; A351-T403 HydrophobicContact CB-CG2 4.23Å; A351-T403 WeakPolarHBondContact CB-OG1 3.32Å
352E94.7Very high93.3Very high100 Ų10055.8 Ų55.847%0.46729%0.288SS..Hα-helixtrans-60.3-44177.1-71.7-178.3170.800111.4I348 I355 H356 L388I348-E352 HydrophobicContact CG2-CG 4.42Å; I348-E352 WeakPolarHBondContact O-CG 3.29Å; I348-E352 PolarHBondContact O-N 3.01Å; E352-I355 PolarHBondContact O-N 3.02Å; E352-H356 WeakPolarHBondContact O-CB 3.46Å; E352-H356 PolarHBondContact O-N 2.83Å; E352-L388 HydrophobicContact CG-CD1 3.74Å
353G95.6Very high93.2Very high32 Ų3255.2 Ų55.233%0.3329%0.288SS..Hα-helixtrans-61.2-46175.600000112.9N349 A351 H356 D357N349-G353 PolarHBondContact O-N 3.31Å; A351-G353 VanDerWaalsContact C-N 3.35Å; A351-G353 PolarHBondContact O-N 3.36Å; G353-H356 PolarHBondContact O-N 2.98Å; G353-D357 WeakPolarHBondContact O-CB 3.42Å; G353-D357 PolarHBondContact O-N 2.84Å
354I95.2Very high93.1Very high19 Ų1959.5 Ų59.510%0.09731%0.307CS..Hα-helixtrans-67.6-37.9178.3-74.2166.3000111.8Q350 A351 T358 T403 L406 Q407Q350-I354 HydrophobicContact CG-CD1 3.92Å; Q350-I354 WeakPolarHBondContact O-CB 3.48Å; Q350-I354 WeakPolarHBondContact O-CG1 3.3Å; Q350-I354 PolarHBondContact O-N 3.36Å; A351-I354 PolarHBondContact O-N 3.14Å; I354-T358 WeakPolarHBondContact O-CB 3.24Å; I354-T358 PolarHBondContact O-N 2.91Å; I354-T358 PolarHBondContact O-OG1 2.91Å; I354-T403 HydrophobicContact CB-CG2 4.12Å; I354-T403 HydrophobicContact CD1-CG2 3.3Å; I354-T403 HydrophobicContact CG1-CG2 4.24Å; I354-T403 HydrophobicContact CG2-CG2 4.39Å; I354-L406 HydrophobicContact CG2-CD2 3.96Å; I354-L406 HydrophobicContact CG2-CG 4.03Å; I354-Q407 HydrophobicContact CD1-CB 4.15Å; I354-Q407 HydrophobicContact CD1-CG 4.21Å; I354-Q407 VanDerWaalsContact CD1-OE1 3.3Å; I354-Q407 HydrophobicContact CG2-CB 4.02Å; I354-Q407 HydrophobicContact CG2-CG 4.49Å
355I95.8Very high92.9Very high8 Ų860.1 Ų60.14%0.04131%0.305CS..Hα-helixtrans-58.7-52.9172.8-73.9162.1000109.5A351 E352 T358 E359 I381 V384 R385 L388 L406A351-I355 WeakPolarHBondContact O-CB 3.41Å; A351-I355 VanDerWaalsContact O-CG1 3.3Å; A351-I355 WeakPolarHBondContact O-CG1 3.13Å; A351-I355 PolarHBondContact O-N 2.8Å; E352-I355 PolarHBondContact O-N 3.02Å; I355-T358 PolarHBondContact O-N 2.85Å; I355-E359 HydrophobicContact CG2-CG 4.4Å; I355-E359 WeakPolarHBondContact O-CG 3.32Å; I355-E359 PolarHBondContact O-N 2.86Å; I355-I381 HydrophobicContact CG1-CG2 4.36Å; I355-I381 HydrophobicContact CG2-CG2 3.73Å; I355-V384 HydrophobicContact CD1-CB 3.97Å; I355-V384 HydrophobicContact CD1-CG1 3.59Å; I355-V384 HydrophobicContact CG1-CB 4.35Å; I355-V384 HydrophobicContact CG1-CG1 4.15Å; I355-R385 HydrophobicContact CD1-CG 3.86Å; I355-L388 HydrophobicContact CD1-CD1 3.78Å; I355-L406 HydrophobicContact CG1-CD2 3.78Å
356H94.9Very high92.6Very high123 Ų12362 Ų6257%0.56931%0.307SS*.Hα-helixtrans-59.7-49.6-178.4177-85.6000112E352 G353 T358 E359 A360E352-H356 WeakPolarHBondContact O-CB 3.46Å; E352-H356 PolarHBondContact O-N 2.83Å; G353-H356 PolarHBondContact O-N 2.98Å; H356-T358 VanDerWaalsContact C-N 3.29Å; H356-T358 PolarHBondContact O-N 3.35Å; H356-E359 PolarHBondContact O-N 3.48Å; H356-A360 WeakPolarHBondContact O-CB 3.42Å; H356-A360 PolarHBondContact O-N 2.82Å
357D94Very high92.2Very high81 Ų8164.9 Ų64.943%0.43333%0.326SS..Hα-helixtrans-61.6-38.4178.4-77.5-4000112.1G353 R361G353-D357 WeakPolarHBondContact O-CB 3.42Å; G353-D357 PolarHBondContact O-N 2.84Å; D357-R361 WeakPolarHBondContact O-CB 3.45Å; D357-R361 WeakPolarHBondContact O-CG 3.49Å; D357-R361 PolarHBondContact O-N 3Å; D357-R361 VanDerWaalsContact O-N 3.1Å
358T94Very high91.9Very high2 Ų267.7 Ų67.71%0.01234%0.339CS..Hα-helixtrans-67.8-46.4177.7-59.80000110.6I354 I355 H356 R361 M362 L377 I381 L406 S410 F414I354-T358 WeakPolarHBondContact O-CB 3.24Å; I354-T358 PolarHBondContact O-N 2.91Å; I354-T358 PolarHBondContact O-OG1 2.91Å; I355-T358 PolarHBondContact O-N 2.85Å; H356-T358 VanDerWaalsContact C-N 3.29Å; H356-T358 PolarHBondContact O-N 3.35Å; T358-R361 PolarHBondContact O-N 3Å; T358-M362 HydrophobicContact CG2-CG 4.39Å; T358-M362 HydrophobicContact CG2-SD 3.92Å; T358-M362 WeakPolarHBondContact O-CB 2.99Å; T358-M362 WeakPolarHBondContact O-CG 3.48Å; T358-M362 PolarHBondContact O-N 2.91Å; T358-L377 HydrophobicContact CG2-CD1 4.15Å; T358-L377 HydrophobicContact CG2-CD2 3.58Å; T358-L377 HydrophobicContact CG2-CG 3.82Å; T358-I381 HydrophobicContact CG2-CD1 3.93Å; T358-I381 HydrophobicContact CG2-CG1 4.49Å; T358-L406 HydrophobicContact CG2-CD1 4.31Å; T358-S410 PolarHBondContact OG1-OG 2.84Å; T358-F414 HydrophobicContact CG2-CE2 4.49Å; T358-F414 HydrophobicContact CG2-CZ 4.49Å
359E94.2Very high91.6Very high70 Ų7067.6 Ų67.633%0.32734%0.338SS..Hα-helixtrans-62.3-42.8176.9-73.9-176.3144.200112.3I355 H356 M362 E363 I381 R385I355-E359 HydrophobicContact CG2-CG 4.4Å; I355-E359 WeakPolarHBondContact O-CG 3.32Å; I355-E359 PolarHBondContact O-N 2.86Å; H356-E359 PolarHBondContact O-N 3.48Å; E359-M362 PolarHBondContact O-N 2.75Å; E359-E363 PolarHBondContact O-N 2.87Å; E359-I381 HydrophobicContact CG-CD1 3.7Å; E359-I381 HydrophobicContact CG-CG2 4.48Å; E359-R385 IonicContact OE1-CZ 2.86Å; E359-R385 IonicContact OE1-NH1 3.1Å; E359-R385 PolarHBondContact OE1-NH1 2.8Å; E359-R385 IonicContact OE1-NH2 3.75Å; E359-R385 PolarHBondContact OE1-NH2 3.11Å; E359-R385 IonicContact OE2-CZ 2.73Å; E359-R385 IonicContact OE2-NH2 3.31Å; E359-R385 PolarHBondContact OE2-NH2 2.8Å
360A93Very high91.3Very high51 Ų5165.8 Ų65.842%0.42133%0.332SS..Hα-helixtrans-60.6-4817800000111.8H356 M362 E363 E364H356-A360 WeakPolarHBondContact O-CB 3.42Å; H356-A360 PolarHBondContact O-N 2.82Å; A360-M362 VanDerWaalsContact C-N 3.33Å; A360-M362 PolarHBondContact O-N 3.31Å; A360-E363 PolarHBondContact O-N 2.91Å; A360-E364 PolarHBondContact O-N 2.75Å
361R90.4Very high91Very high98 Ų9869.3 Ų69.337%0.3735%0.348SS..Hα-helixtrans-66.7-33.8176.5-71.8178.2-176.6153.57112.4D357 T358 E363 E364 F365 F414D357-R361 WeakPolarHBondContact O-CB 3.45Å; D357-R361 WeakPolarHBondContact O-CG 3.49Å; D357-R361 PolarHBondContact O-N 3Å; D357-R361 VanDerWaalsContact O-N 3.1Å; T358-R361 PolarHBondContact O-N 3Å; R361-E363 VanDerWaalsContact C-N 3.28Å; R361-E363 PolarHBondContact O-N 2.95Å; R361-E364 PolarHBondContact O-N 2.9Å; R361-F365 HydrophobicContact CB-CD2 4.36Å; R361-F365 VanDerWaalsContact O-CD2 3.24Å; R361-F365 WeakPolarHBondContact O-CD2 3.36Å; R361-F365 PolarHBondContact O-N 3.13Å; R361-F414 HydrophobicContact CB-CD1 4.21Å; R361-F414 HydrophobicContact CB-CD2 4.24Å; R361-F414 HydrophobicContact CB-CE1 3.54Å; R361-F414 HydrophobicContact CB-CE2 3.56Å; R361-F414 HydrophobicContact CB-CZ 3.19Å; R361-F414 HydrophobicContact CG-CE2 4.26Å; R361-F414 HydrophobicContact CG-CZ 4.32Å
362M91.2Very high90.8Very high15 Ų1573.4 Ų73.47%0.07437%0.37CS..Hα-helixtrans-63.8-35.2174.9-75173.57600112.2T358 E359 A360 K366 V374 L377 K378 I381 F414T358-M362 HydrophobicContact CG2-CG 4.39Å; T358-M362 HydrophobicContact CG2-SD 3.92Å; T358-M362 WeakPolarHBondContact O-CB 2.99Å; T358-M362 WeakPolarHBondContact O-CG 3.48Å; T358-M362 PolarHBondContact O-N 2.91Å; E359-M362 PolarHBondContact O-N 2.75Å; A360-M362 VanDerWaalsContact C-N 3.33Å; A360-M362 PolarHBondContact O-N 3.31Å; M362-K366 WeakPolarHBondContact O-CA 3.48Å; M362-K366 PolarHBondContact O-N 3.29Å; M362-V374 HydrophobicContact CE-CB 4.25Å; M362-V374 HydrophobicContact CE-CG1 3.63Å; M362-V374 WeakPolarHBondContact CE-O 3.33Å; M362-L377 HydrophobicContact CE-CB 4.05Å; M362-L377 HydrophobicContact CE-CD2 4.24Å; M362-L377 HydrophobicContact CE-CG 4.32Å; M362-L377 HydrophobicContact CG-CD2 3.94Å; M362-L377 HydrophobicContact SD-CB 4.18Å; M362-L377 HydrophobicContact SD-CD2 3.55Å; M362-L377 VanDerWaalsContact SD-CD2 3.55Å; M362-L377 HydrophobicContact SD-CG 3.78Å; M362-K378 HydrophobicContact CE-CG 3.74Å; M362-I381 HydrophobicContact SD-CD1 3.79Å; M362-F414 HydrophobicContact CG-CE1 4.24Å; M362-F414 HydrophobicContact CG-CZ 3.93Å
363E89.7Confident90.6Very high121 Ų12172.1 Ų72.157%0.56536%0.364SS*.Hα-helixtrans-75.9-38.2174.2-167.262.3-158.800111.7E359 A360 R361 F365 K366E359-E363 PolarHBondContact O-N 2.87Å; A360-E363 PolarHBondContact O-N 2.91Å; R361-E363 VanDerWaalsContact C-N 3.28Å; R361-E363 PolarHBondContact O-N 2.95Å; E363-F365 PolarHBondContact O-N 2.72Å; E363-K366 WeakPolarHBondContact O-CB 3.22Å; E363-K366 PolarHBondContact O-N 2.84Å; E363-K366 IonicContact OE1-NZ 3.07Å; E363-K366 PolarHBondContact OE1-NZ 2.82Å; E363-K366 IonicContact OE2-NZ 2.88Å; E363-K366 PolarHBondContact OE2-NZ 2.93Å
364E88Confident90.3Very high138 Ų13871.8 Ų71.865%0.64536%0.356SS*.Hα-helixtrans-60.5-43.7175.7-174.4-177.9176.500112.5A360 R361A360-E364 PolarHBondContact O-N 2.75Å; R361-E364 PolarHBondContact O-N 2.9Å
365F86.2Confident90.2Very high40 Ų4077.4 Ų77.418%0.17538%0.382CS..THydrogen-bonded Turntrans-99.717.4-176.9-63.1-71.5000114R361 E363 D367 Q368 L369 F414 M421R361-F365 HydrophobicContact CB-CD2 4.36Å; R361-F365 VanDerWaalsContact O-CD2 3.24Å; R361-F365 WeakPolarHBondContact O-CD2 3.36Å; R361-F365 PolarHBondContact O-N 3.13Å; E363-F365 PolarHBondContact O-N 2.72Å; F365-D367 PolarHBondContact O-N 2.82Å; F365-D367 VanDerWaalsContact O-N 3.08Å; F365-Q368 PolarHBondContact O-N 3.32Å; F365-Q368 PolarHBondContact O-OE1 2.62Å; F365-Q368 VanDerWaalsContact O-OE1 3.05Å; F365-L369 HydrophobicContact CB-CD1 3.88Å; F365-L369 HydrophobicContact CB-CG 3.96Å; F365-L369 WeakPolarHBondContact O-CG 3.24Å; F365-L369 PolarHBondContact O-N 3.12Å; F365-F414 HydrophobicContact CD2-CD1 4.06Å; F365-F414 HydrophobicContact CD2-CE1 4.34Å; F365-M421 HydrophobicContact CD1-SD 3.89Å; F365-M421 HydrophobicContact CE1-SD 3.93Å
366K86.7Confident90Very high117 Ų11782.1 Ų82.151%0.50940%0.402SS..THydrogen-bonded Turntrans-52.2-37.4-170.7-175-179.4-167.4161.80114.3M362 E363M362-K366 WeakPolarHBondContact O-CA 3.48Å; M362-K366 PolarHBondContact O-N 3.29Å; E363-K366 WeakPolarHBondContact O-CB 3.22Å; E363-K366 PolarHBondContact O-N 2.84Å; E363-K366 IonicContact OE1-NZ 3.07Å; E363-K366 PolarHBondContact OE1-NZ 2.82Å; E363-K366 IonicContact OE2-NZ 2.88Å; E363-K366 PolarHBondContact OE2-NZ 2.93Å
367D85.3Confident89.9Confident150 Ų15076.5 Ų76.580%0.80238%0.376SS*.THydrogen-bonded Turntrans-80.1-17.1-178-63.3-32.1000113.3F365F365-D367 PolarHBondContact O-N 2.82Å; F365-D367 VanDerWaalsContact O-N 3.08Å
368Q85Confident89.9Confident59 Ų5978.5 Ų78.528%0.27638%0.38SS..THydrogen-bonded Turntrans-102.2-11.7-177-57.485.21300113.3F365 M421F365-Q368 PolarHBondContact O-N 3.32Å; F365-Q368 PolarHBondContact O-OE1 2.62Å; F365-Q368 VanDerWaalsContact O-OE1 3.05Å; Q368-M421 HydrophobicContact CB-CG 4.36Å; Q368-M421 HydrophobicContact CB-SD 4.41Å; Q368-M421 HydrophobicContact CG-CG 3.88Å; Q368-M421 HydrophobicContact CG-SD 3.88Å
369L86.4Confident89.9Confident13 Ų1381.3 Ų81.37%0.06840%0.404CS..SBendtrans-91.5132.3-174.8-68171000112.4F365 Q371 V374 L413 F414 A417F365-L369 HydrophobicContact CB-CD1 3.88Å; F365-L369 HydrophobicContact CB-CG 3.96Å; F365-L369 WeakPolarHBondContact O-CG 3.24Å; F365-L369 PolarHBondContact O-N 3.12Å; L369-Q371 PolarHBondContact O-N 3.25Å; L369-V374 HydrophobicContact CB-CG2 3.55Å; L369-V374 HydrophobicContact CD1-CG2 4.11Å; L369-V374 HydrophobicContact CG-CG2 4.44Å; L369-L413 HydrophobicContact CD2-CD1 3.65Å; L369-L413 HydrophobicContact CD2-CD2 3.91Å; L369-L413 HydrophobicContact CD2-CG 3.5Å; L369-F414 HydrophobicContact CD1-CE1 4.14Å; L369-F414 HydrophobicContact CD2-CD1 4.41Å; L369-A417 HydrophobicContact CD2-CB 3.76Å
370P88Confident89.9Confident58 Ų5881.6 Ų81.638%0.37740%0.404SS..  trans-59.2131170.3-2233.3000111.4D372 E373 V374P370-D372 VanDerWaalsContact C-N 3.26Å; P370-D372 WeakPolarHBondContact CB-OD1 3.36Å; P370-D372 PolarHBondContact O-N 2.77Å; P370-E373 HydrophobicContact CB-CB 4.36Å; P370-E373 HydrophobicContact CB-CG 4.28Å; P370-E373 PolarHBondContact O-N 3.28Å; P370-E373 VanDerWaalsContact O-N 3.17Å; P370-V374 WeakPolarHBondContact O-CG2 3.39Å; P370-V374 PolarHBondContact O-N 3.04Å
371Q88.4Confident90Very high161 Ų16179.3 Ų79.375%0.75239%0.385SS*.Hα-helixtrans-59.3-36.8-176.3-73.3-172.9-19.200112.8L369 E373 V374 E375L369-Q371 PolarHBondContact O-N 3.25Å; Q371-E373 PolarHBondContact O-N 3.42Å; Q371-V374 PolarHBondContact O-N 3.08Å; Q371-E375 WeakPolarHBondContact O-CG 3.48Å; Q371-E375 PolarHBondContact O-N 3.09Å
372D90Very high90.3Very high86 Ų8677.3 Ų77.346%0.4639%0.386SS..Hα-helixtrans-65.6-36.9179.167.8-52000112.6P370 K376P370-D372 VanDerWaalsContact C-N 3.26Å; P370-D372 WeakPolarHBondContact CB-OD1 3.36Å; P370-D372 PolarHBondContact O-N 2.77Å; D372-K376 VanDerWaalsContact O-CG 3.32Å; D372-K376 WeakPolarHBondContact O-CG 3.39Å; D372-K376 PolarHBondContact O-N 2.88Å; D372-K376 IonicContact OD2-NZ 3.62Å
373E89.9Confident90.4Very high72 Ų7279.5 Ų79.534%0.33640%0.403SS..Hα-helixtrans-73.8-36174.8-68.1-61.614000112.2P370 Q371 E375 K376 L377 L413P370-E373 HydrophobicContact CB-CB 4.36Å; P370-E373 HydrophobicContact CB-CG 4.28Å; P370-E373 PolarHBondContact O-N 3.28Å; P370-E373 VanDerWaalsContact O-N 3.17Å; Q371-E373 PolarHBondContact O-N 3.42Å; E373-E375 VanDerWaalsContact C-N 3.35Å; E373-K376 PolarHBondContact O-N 3.25Å; E373-K376 IonicContact OE1-NZ 2.7Å; E373-K376 PolarHBondContact OE1-NZ 3.43Å; E373-L377 WeakPolarHBondContact O-CB 3.33Å; E373-L377 PolarHBondContact O-N 2.83Å; E373-L413 HydrophobicContact CB-CD1 3.54Å; E373-L413 HydrophobicContact CB-CD2 4.26Å; E373-L413 HydrophobicContact CG-CD1 4.13Å
374V90.3Very high90.7Very high26 Ų2673.9 Ų73.916%0.15838%0.377CS..Hα-helixtrans-60.7-44.2173.1168.60000110.9M362 L369 P370 Q371 L377 K378M362-V374 HydrophobicContact CE-CB 4.25Å; M362-V374 HydrophobicContact CE-CG1 3.63Å; M362-V374 WeakPolarHBondContact CE-O 3.33Å; L369-V374 HydrophobicContact CB-CG2 3.55Å; L369-V374 HydrophobicContact CD1-CG2 4.11Å; L369-V374 HydrophobicContact CG-CG2 4.44Å; P370-V374 WeakPolarHBondContact O-CG2 3.39Å; P370-V374 PolarHBondContact O-N 3.04Å; Q371-V374 PolarHBondContact O-N 3.08Å; V374-L377 PolarHBondContact O-N 2.94Å; V374-K378 HydrophobicContact CG1-CD 4.33Å; V374-K378 WeakPolarHBondContact O-CG 3.36Å; V374-K378 PolarHBondContact O-N 2.77Å
375E92Very high91Very high137 Ų13772.9 Ų72.964%0.6437%0.367SS*.Hα-helixtrans-63.6-44177.4-74.6-178.4174.500112.2Q371 E373 L377 K378 A379Q371-E375 WeakPolarHBondContact O-CG 3.48Å; Q371-E375 PolarHBondContact O-N 3.09Å; E373-E375 VanDerWaalsContact C-N 3.35Å; E375-L377 VanDerWaalsContact C-N 3.28Å; E375-L377 PolarHBondContact O-N 3.15Å; E375-K378 PolarHBondContact O-N 3.29Å; E375-A379 PolarHBondContact O-N 3.36Å
376K92.2Very high91.4Very high107 Ų10776.9 Ų76.947%0.46539%0.387SS..Hα-helixtrans-58.4-41.5174.2-71170.8-159.1163.40111.6D372 E373 A379 K380D372-K376 VanDerWaalsContact O-CG 3.32Å; D372-K376 WeakPolarHBondContact O-CG 3.39Å; D372-K376 PolarHBondContact O-N 2.88Å; D372-K376 IonicContact OD2-NZ 3.62Å; E373-K376 PolarHBondContact O-N 3.25Å; E373-K376 IonicContact OE1-NZ 2.7Å; E373-K376 PolarHBondContact OE1-NZ 3.43Å; K376-A379 PolarHBondContact O-N 3.15Å; K376-K380 PolarHBondContact O-N 3.1Å; K376-K380 VanDerWaalsContact O-N 3.13Å
377L92.7Very high91.6Very high5 Ų572.5 Ų72.53%0.02637%0.369CS..Hα-helixtrans-71.1-39.3-179.3-164.957.8000112.1T358 M362 E373 V374 E375 A379 K380 I381 L406 L413T358-L377 HydrophobicContact CG2-CD1 4.15Å; T358-L377 HydrophobicContact CG2-CD2 3.58Å; T358-L377 HydrophobicContact CG2-CG 3.82Å; M362-L377 HydrophobicContact CE-CB 4.05Å; M362-L377 HydrophobicContact CE-CD2 4.24Å; M362-L377 HydrophobicContact CE-CG 4.32Å; M362-L377 HydrophobicContact CG-CD2 3.94Å; M362-L377 HydrophobicContact SD-CB 4.18Å; M362-L377 HydrophobicContact SD-CD2 3.55Å; M362-L377 VanDerWaalsContact SD-CD2 3.55Å; M362-L377 HydrophobicContact SD-CG 3.78Å; E373-L377 WeakPolarHBondContact O-CB 3.33Å; E373-L377 PolarHBondContact O-N 2.83Å; V374-L377 PolarHBondContact O-N 2.94Å; E375-L377 VanDerWaalsContact C-N 3.28Å; E375-L377 PolarHBondContact O-N 3.15Å; L377-A379 VanDerWaalsContact C-N 3.32Å; L377-A379 PolarHBondContact O-N 3.19Å; L377-K380 PolarHBondContact O-N 2.86Å; L377-I381 WeakPolarHBondContact O-CG1 3.41Å; L377-I381 PolarHBondContact O-N 3.19Å; L377-L406 HydrophobicContact CD1-CD1 3.57Å; L377-L406 HydrophobicContact CG-CD1 4.41Å; L377-L413 HydrophobicContact CB-CD2 4.5Å; L377-L413 HydrophobicContact CD2-CD2 3.64Å
378K94.3Very high92Very high122 Ų12266.2 Ų66.253%0.5334%0.335SS..Hα-helixtrans-61.2-38171.9-75-178.3-179.9178.30112.6M362 V374 E375 I381 S382M362-K378 HydrophobicContact CE-CG 3.74Å; V374-K378 HydrophobicContact CG1-CD 4.33Å; V374-K378 WeakPolarHBondContact O-CG 3.36Å; V374-K378 PolarHBondContact O-N 2.77Å; E375-K378 PolarHBondContact O-N 3.29Å; K378-I381 PolarHBondContact O-N 3Å; K378-S382 WeakPolarHBondContact O-CB 3.21Å; K378-S382 PolarHBondContact O-N 3.29Å; K378-S382 PolarHBondContact O-OG 2.9Å
379A94.7Very high92.4Very high62 Ų6267.6 Ų67.651%0.51236%0.356SS..Hα-helixtrans-63.3-42.717400000111.6E375 K376 L377 S382 S383E375-A379 PolarHBondContact O-N 3.36Å; K376-A379 PolarHBondContact O-N 3.15Å; L377-A379 VanDerWaalsContact C-N 3.32Å; L377-A379 PolarHBondContact O-N 3.19Å; A379-S382 PolarHBondContact O-N 3.5Å; A379-S383 PolarHBondContact O-N 3.23Å
380K94.3Very high92.6Very high76 Ų7672.9 Ų72.933%0.3338%0.375SS..Hα-helixtrans-63.6-43.2174.1-71-167.1174.3-155.20112.7K376 L377 S382 S383 V384 L406 S409K376-K380 PolarHBondContact O-N 3.1Å; K376-K380 VanDerWaalsContact O-N 3.13Å; L377-K380 PolarHBondContact O-N 2.86Å; K380-S382 VanDerWaalsContact C-N 3.28Å; K380-S382 PolarHBondContact O-N 3.39Å; K380-S383 PolarHBondContact O-N 3.42Å; K380-V384 WeakPolarHBondContact O-CG2 3.42Å; K380-V384 PolarHBondContact O-N 2.98Å; K380-L406 HydrophobicContact CB-CD1 3.92Å; K380-S409 WeakPolarHBondContact CD-OG 3.39Å; K380-S409 WeakPolarHBondContact CE-OG 3.42Å; K380-S409 PolarHBondContact NZ-OG 3.31Å
381I95.3Very high92.5Very high2 Ų274.5 Ų74.51%0.0138%0.376CS..Hα-helixtrans-57.5-45174.5-73163.4000110.5I355 T358 E359 M362 L377 K378 S383 V384 R385 L406I355-I381 HydrophobicContact CG1-CG2 4.36Å; I355-I381 HydrophobicContact CG2-CG2 3.73Å; T358-I381 HydrophobicContact CG2-CD1 3.93Å; T358-I381 HydrophobicContact CG2-CG1 4.49Å; E359-I381 HydrophobicContact CG-CD1 3.7Å; E359-I381 HydrophobicContact CG-CG2 4.48Å; M362-I381 HydrophobicContact SD-CD1 3.79Å; L377-I381 WeakPolarHBondContact O-CG1 3.41Å; L377-I381 PolarHBondContact O-N 3.19Å; K378-I381 PolarHBondContact O-N 3Å; I381-S383 VanDerWaalsContact C-N 3.34Å; I381-S383 PolarHBondContact O-N 2.9Å; I381-V384 PolarHBondContact O-N 3.31Å; I381-R385 HydrophobicContact CG2-CG 4.49Å; I381-R385 WeakPolarHBondContact O-CG 3.35Å; I381-R385 PolarHBondContact O-N 3.18Å; I381-L406 HydrophobicContact CG1-CD1 3.72Å; I381-L406 HydrophobicContact CG1-CD2 4.08Å
382S95.6Very high92.3Very high56 Ų5674.3 Ų74.339%0.39238%0.381SS..Hα-helixtrans-62.9-41.8179.1-57.30000111.5K378 A379 K380 R385 E386K378-S382 WeakPolarHBondContact O-CB 3.21Å; K378-S382 PolarHBondContact O-N 3.29Å; K378-S382 PolarHBondContact O-OG 2.9Å; A379-S382 PolarHBondContact O-N 3.5Å; K380-S382 VanDerWaalsContact C-N 3.28Å; K380-S382 PolarHBondContact O-N 3.39Å; S382-R385 WeakPolarHBondContact O-CB 3.42Å; S382-R385 PolarHBondContact O-N 3.36Å; S382-E386 WeakPolarHBondContact O-CG 3.05Å; S382-E386 PolarHBondContact O-N 3.23Å
383S94.3Very high92.1Very high62 Ų6274.6 Ų74.643%0.43439%0.389SS..Hα-helixtrans-62.7-42.6176-178.60000112.9A379 K380 I381 E386 L387A379-S383 PolarHBondContact O-N 3.23Å; K380-S383 PolarHBondContact O-N 3.42Å; I381-S383 VanDerWaalsContact C-N 3.34Å; I381-S383 PolarHBondContact O-N 2.9Å; S383-E386 PolarHBondContact O-N 3.34Å; S383-L387 PolarHBondContact O-N 3.36Å; S383-L387 VanDerWaalsContact O-N 3.13Å
384V94.1Very high91.9Very high3 Ų373.7 Ų73.72%0.01839%0.385CS..Hα-helixtrans-64.8-41.5174.2-178.60000110.4A351 I355 K380 I381 E386 L387 L388 A402 L406A351-V384 HydrophobicContact CB-CG1 3.9Å; I355-V384 HydrophobicContact CD1-CB 3.97Å; I355-V384 HydrophobicContact CD1-CG1 3.59Å; I355-V384 HydrophobicContact CG1-CB 4.35Å; I355-V384 HydrophobicContact CG1-CG1 4.15Å; K380-V384 WeakPolarHBondContact O-CG2 3.42Å; K380-V384 PolarHBondContact O-N 2.98Å; I381-V384 PolarHBondContact O-N 3.31Å; V384-E386 VanDerWaalsContact C-N 3.33Å; V384-E386 PolarHBondContact O-N 3.43Å; V384-L387 WeakPolarHBondContact O-CB 3.26Å; V384-L387 PolarHBondContact O-N 2.73Å; V384-L388 HydrophobicContact CG1-CD1 4.33Å; V384-L388 HydrophobicContact CG1-CG 4.46Å; V384-L388 WeakPolarHBondContact O-CG 3.4Å; V384-L388 PolarHBondContact O-N 3Å; V384-A402 HydrophobicContact CG2-CB 4.06Å; V384-L406 HydrophobicContact CB-CD2 4.44Å; V384-L406 HydrophobicContact CG2-CB 4.15Å; V384-L406 HydrophobicContact CG2-CD2 4Å
385R95.1Very high91.8Very high116 Ų11676 Ų7644%0.43840%0.399SS..Hα-helixtrans-60.1-39.2175.1-77.2-178.9164.8146.83.5113.1I355 E359 I381 S382 L387 L388 A389I355-R385 HydrophobicContact CD1-CG 3.86Å; E359-R385 IonicContact OE1-CZ 2.86Å; E359-R385 IonicContact OE1-NH1 3.1Å; E359-R385 PolarHBondContact OE1-NH1 2.8Å; E359-R385 IonicContact OE1-NH2 3.75Å; E359-R385 PolarHBondContact OE1-NH2 3.11Å; E359-R385 IonicContact OE2-CZ 2.73Å; E359-R385 IonicContact OE2-NH2 3.31Å; E359-R385 PolarHBondContact OE2-NH2 2.8Å; I381-R385 HydrophobicContact CG2-CG 4.49Å; I381-R385 WeakPolarHBondContact O-CG 3.35Å; I381-R385 PolarHBondContact O-N 3.18Å; S382-R385 WeakPolarHBondContact O-CB 3.42Å; S382-R385 PolarHBondContact O-N 3.36Å; R385-L387 VanDerWaalsContact C-N 3.35Å; R385-L388 PolarHBondContact O-N 2.91Å; R385-A389 PolarHBondContact O-N 3.13Å
386E94.1Very high91.7Very high125 Ų12570.5 Ų70.558%0.58438%0.375SS*.Hα-helixtrans-66-36.1175.8-74.9174.8-173.800112.5S382 S383 V384 A389 R390S382-E386 WeakPolarHBondContact O-CG 3.05Å; S382-E386 PolarHBondContact O-N 3.23Å; S383-E386 PolarHBondContact O-N 3.34Å; V384-E386 VanDerWaalsContact C-N 3.33Å; V384-E386 PolarHBondContact O-N 3.43Å; E386-A389 PolarHBondContact O-N 2.59Å; E386-R390 PolarHBondContact O-N 3.42Å
387L92.2Very high91.7Very high25 Ų2570.3 Ų70.313%0.13138%0.376CS..Hα-helixtrans-64.5-44.2171.3-72.7169.3000111.1S383 V384 R385 A389 R390 K391 E394 A402S383-L387 PolarHBondContact O-N 3.36Å; S383-L387 VanDerWaalsContact O-N 3.13Å; V384-L387 WeakPolarHBondContact O-CB 3.26Å; V384-L387 PolarHBondContact O-N 2.73Å; R385-L387 VanDerWaalsContact C-N 3.35Å; L387-A389 VanDerWaalsContact C-N 3.31Å; L387-A389 PolarHBondContact O-N 3.21Å; L387-R390 CarbonylContact O-C 3.47Å; L387-R390 VanDerWaalsContact O-C 3.29Å; L387-R390 WeakPolarHBondContact O-CA 3.4Å; L387-R390 PolarHBondContact O-N 3.47Å; L387-K391 PolarHBondContact O-N 2.83Å; L387-K391 VanDerWaalsContact O-N 3.08Å; L387-E394 HydrophobicContact CD2-CG 4.01Å; L387-A402 HydrophobicContact CD1-CB 3.36Å
388L92.5Very high91.6Very high18 Ų1871.4 Ų71.49%0.09438%0.384CS..Hα-helixtrans-65.1-33.3177.8-64.2176.6000112.9I348 A351 E352 I355 V384 R385 R390 K391 I399I348-L388 HydrophobicContact CB-CD2 4.17Å; I348-L388 HydrophobicContact CG1-CD2 3.98Å; I348-L388 HydrophobicContact CG2-CD2 4.11Å; A351-L388 HydrophobicContact CB-CD1 3.97Å; A351-L388 HydrophobicContact CB-CD2 3.83Å; A351-L388 HydrophobicContact CB-CG 4.29Å; E352-L388 HydrophobicContact CG-CD1 3.74Å; I355-L388 HydrophobicContact CD1-CD1 3.78Å; V384-L388 HydrophobicContact CG1-CD1 4.33Å; V384-L388 HydrophobicContact CG1-CG 4.46Å; V384-L388 WeakPolarHBondContact O-CG 3.4Å; V384-L388 PolarHBondContact O-N 3Å; R385-L388 PolarHBondContact O-N 2.91Å; L388-R390 PolarHBondContact O-N 3.18Å; L388-K391 VanDerWaalsContact O-CB 3.28Å; L388-K391 WeakPolarHBondContact O-CB 3.45Å; L388-K391 VanDerWaalsContact O-CG 3.29Å; L388-K391 WeakPolarHBondContact O-CG 3.34Å; L388-K391 PolarHBondContact O-N 2.78Å; L388-I399 HydrophobicContact CD2-CD1 4.46Å; L388-I399 HydrophobicContact CD2-CG2 3.98Å
389A93Very high91.5Very high88 Ų8865.7 Ų65.773%0.72736%0.359SS*.Hα-helixtrans-66.1-23.517300000112.8R385 E386 L387R385-A389 PolarHBondContact O-N 3.13Å; E386-A389 PolarHBondContact O-N 2.59Å; L387-A389 VanDerWaalsContact C-N 3.31Å; L387-A389 PolarHBondContact O-N 3.21Å
390R90.8Very high91.5Very high124 Ų12466.4 Ų66.447%0.46835%0.349SS..THydrogen-bonded Turntrans-109.220.4178.2-62-173.2-63.2115.88.1112.5E386 L387 L388 D392 S393 E394E386-R390 PolarHBondContact O-N 3.42Å; L387-R390 CarbonylContact O-C 3.47Å; L387-R390 VanDerWaalsContact O-C 3.29Å; L387-R390 WeakPolarHBondContact O-CA 3.4Å; L387-R390 PolarHBondContact O-N 3.47Å; L388-R390 PolarHBondContact O-N 3.18Å; R390-D392 PolarHBondContact O-N 3.48Å; R390-S393 PolarHBondContact O-N 2.85Å; R390-S393 PolarHBondContact O-OG 2.98Å; R390-E394 HydrophobicContact CB-CG 4.24Å; R390-E394 IonicContact CZ-OE1 3.87Å; R390-E394 IonicContact NH1-OE1 3.78Å; R390-E394 PolarHBondContact NH1-OE1 3.44Å; R390-E394 IonicContact NH2-OE1 3.75Å; R390-E394 PolarHBondContact NH2-OE1 2.92Å; R390-E394 WeakPolarHBondContact O-CG 3.44Å; R390-E394 PolarHBondContact O-N 2.64Å
391K85.8Confident91.5Very high91 Ų9168.6 Ų68.640%0.39636%0.36SS..G310 helixtrans-51-32.3-173.661.3-178.2177.7-176.60115.2I348 L387 L388 S393 E394I348-K391 HydrophobicContact CD1-CB 3.93Å; I348-K391 HydrophobicContact CD1-CD 3.72Å; I348-K391 HydrophobicContact CD1-CG 4.36Å; I348-K391 HydrophobicContact CG1-CB 4.27Å; I348-K391 HydrophobicContact CG1-CD 4.41Å; L387-K391 PolarHBondContact O-N 2.83Å; L387-K391 VanDerWaalsContact O-N 3.08Å; L388-K391 VanDerWaalsContact O-CB 3.28Å; L388-K391 WeakPolarHBondContact O-CB 3.45Å; L388-K391 VanDerWaalsContact O-CG 3.29Å; L388-K391 WeakPolarHBondContact O-CG 3.34Å; L388-K391 PolarHBondContact O-N 2.78Å; K391-S393 PolarHBondContact O-N 3.08Å; K391-E394 PolarHBondContact O-N 2.82Å
392D84.1Confident91.4Very high158 Ų15869.4 Ų69.485%0.84537%0.367SS*.G310 helixtrans-72.6-13.4-179.9-57.9-35.5000112.9R390R390-D392 PolarHBondContact O-N 3.48Å
393S85.9Confident91.3Very high91 Ų9166.7 Ų66.764%0.63635%0.348SS*.G310 helixtrans-115.2-2.3-179.962.20000114.3R390 K391R390-S393 PolarHBondContact O-N 2.85Å; R390-S393 PolarHBondContact O-OG 2.98Å; K391-S393 PolarHBondContact O-N 3.08Å
394E86.6Confident91.4Very high53 Ų5366.5 Ų66.525%0.24834%0.344CS..SBendtrans-107.3154.5-177-66.9-65.3172.500110.9L387 R390 K391 I399L387-E394 HydrophobicContact CD2-CG 4.01Å; R390-E394 HydrophobicContact CB-CG 4.24Å; R390-E394 IonicContact CZ-OE1 3.87Å; R390-E394 IonicContact NH1-OE1 3.78Å; R390-E394 PolarHBondContact NH1-OE1 3.44Å; R390-E394 IonicContact NH2-OE1 3.75Å; R390-E394 PolarHBondContact NH2-OE1 2.92Å; R390-E394 WeakPolarHBondContact O-CG 3.44Å; R390-E394 PolarHBondContact O-N 2.64Å; K391-E394 PolarHBondContact O-N 2.82Å; E394-I399 HydrophobicContact CB-CG1 4.45Å
395T88.9Confident91.4Very high75 Ų7570.5 Ų70.546%0.4636%0.363SS..  trans-85.3149.3176.567.70000111.2E397 S398 I399T395-E397 PolarHBondContact O-N 2.67Å; T395-E397 VanDerWaalsContact O-N 3.16Å; T395-S398 PolarHBondContact N-OG 3.42Å; T395-S398 PolarHBondContact O-N 3.25Å; T395-S398 PolarHBondContact O-OG 2.86Å; T395-S398 PolarHBondContact OG1-N 2.92Å; T395-I399 PolarHBondContact O-N 2.91Å
396P88.8Confident91.4Very high21 Ų2165 Ų6514%0.13634%0.343CS..Hα-helixtrans-52.4-36.5172.9-24.833.5000112.8E343 A344 A347 I399 R400E343-P396 HydrophobicContact CB-CB 4.4Å; E343-P396 HydrophobicContact CB-CG 4.37Å; A344-P396 HydrophobicContact CB-CG 3.99Å; A347-P396 HydrophobicContact CB-CB 4.29Å; P396-I399 PolarHBondContact O-N 3.08Å; P396-R400 WeakPolarHBondContact O-CB 3.31Å; P396-R400 VanDerWaalsContact O-CG 3.3Å; P396-R400 WeakPolarHBondContact O-CG 3.28Å; P396-R400 PolarHBondContact O-N 2.8Å
397E92Very high91.4Very high103 Ų10362.6 Ų62.648%0.48133%0.331SS..Hα-helixtrans-63-42.8177.7-67.267.2-14500112.2T395 I399 R400 Q401T395-E397 PolarHBondContact O-N 2.67Å; T395-E397 VanDerWaalsContact O-N 3.16Å; E397-I399 PolarHBondContact O-N 2.9Å; E397-R400 PolarHBondContact O-N 2.86Å; E397-Q401 WeakPolarHBondContact O-CB 3.42Å; E397-Q401 PolarHBondContact O-N 3.34Å
398S91.9Very high91.5Very high28 Ų2867.3 Ų67.320%0.19635%0.353CS..Hα-helixtrans-62.8-42.8179.372.20000111.7T395 Q401 A402T395-S398 PolarHBondContact N-OG 3.42Å; T395-S398 PolarHBondContact O-N 3.25Å; T395-S398 PolarHBondContact O-OG 2.86Å; T395-S398 PolarHBondContact OG1-N 2.92Å; S398-Q401 PolarHBondContact O-N 2.92Å; S398-A402 PolarHBondContact O-N 2.81Å; S398-A402 VanDerWaalsContact O-N 3.11Å
399I92.4Very high91.5Very high2 Ų268 Ų681%0.0136%0.359CS..Hα-helixtrans-65.6-46.7177.4-62.1174.4000109.7A347 I348 A351 L388 E394 T395 P396 E397 Q401 A402 T403A347-I399 HydrophobicContact CB-CB 4.18Å; A347-I399 HydrophobicContact CB-CG2 4.06Å; A347-I399 WeakPolarHBondContact O-CG2 3.42Å; I348-I399 HydrophobicContact CG1-CD1 4Å; A351-I399 HydrophobicContact CB-CG2 3.85Å; L388-I399 HydrophobicContact CD2-CD1 4.46Å; L388-I399 HydrophobicContact CD2-CG2 3.98Å; E394-I399 HydrophobicContact CB-CG1 4.45Å; T395-I399 PolarHBondContact O-N 2.91Å; P396-I399 PolarHBondContact O-N 3.08Å; E397-I399 PolarHBondContact O-N 2.9Å; I399-Q401 VanDerWaalsContact C-N 3.33Å; I399-Q401 PolarHBondContact O-N 3.33Å; I399-A402 PolarHBondContact O-N 2.79Å; I399-T403 WeakPolarHBondContact O-CB 3.49Å; I399-T403 PolarHBondContact O-N 3.35Å; I399-T403 PolarHBondContact O-OG1 3.45Å
400R93.5Very high91.4Very high77 Ų7764 Ų6429%0.29133%0.325SS..Hα-helixtrans-60.7-40.9177.9-75.8175.4-174.4158.22.1112.2A347 P396 E397 T404A347-R400 HydrophobicContact CB-CG 3.85Å; P396-R400 WeakPolarHBondContact O-CB 3.31Å; P396-R400 VanDerWaalsContact O-CG 3.3Å; P396-R400 WeakPolarHBondContact O-CG 3.28Å; P396-R400 PolarHBondContact O-N 2.8Å; E397-R400 PolarHBondContact O-N 2.86Å; R400-T404 WeakPolarHBondContact O-CB 3.44Å; R400-T404 PolarHBondContact O-N 2.8Å; R400-T404 PolarHBondContact O-OG1 2.9Å
401Q94.5Very high91.5Very high123 Ų12362.5 Ų62.558%0.57533%0.326SS*.Hα-helixtrans-63.3-54.1178.5-175.8-179.6-13.900111.1E397 S398 I399 T403 T404 E405E397-Q401 WeakPolarHBondContact O-CB 3.42Å; E397-Q401 PolarHBondContact O-N 3.34Å; S398-Q401 PolarHBondContact O-N 2.92Å; I399-Q401 VanDerWaalsContact C-N 3.33Å; I399-Q401 PolarHBondContact O-N 3.33Å; Q401-T403 VanDerWaalsContact C-N 3.26Å; Q401-T403 PolarHBondContact O-N 2.75Å; Q401-T404 PolarHBondContact O-N 2.94Å; Q401-T404 VanDerWaalsContact O-N 3.12Å; Q401-E405 PolarHBondContact NE2-OE1 2.99Å; Q401-E405 WeakPolarHBondContact O-CG 3.45Å; Q401-E405 PolarHBondContact O-N 3.39Å
402A93.8Very high91.7Very high18 Ų1865.3 Ų65.315%0.14934%0.338CS..Hα-helixtrans-60.8-38.4179.700000112V384 L387 S398 I399 E405 L406V384-A402 HydrophobicContact CG2-CB 4.06Å; L387-A402 HydrophobicContact CD1-CB 3.36Å; S398-A402 PolarHBondContact O-N 2.81Å; S398-A402 VanDerWaalsContact O-N 3.11Å; I399-A402 PolarHBondContact O-N 2.79Å; A402-E405 PolarHBondContact O-N 2.86Å; A402-L406 PolarHBondContact O-N 2.96Å
403T93.9Very high92Very high0 Ų058.3 Ų58.30%030%0.301CS..Hα-helixtrans-63.1-43.8174.9-61.40000112.1Q350 A351 I354 I399 Q401 L406 Q407Q350-T403 HydrophobicContact CG-CG2 4.26Å; A351-T403 WeakPolarHBondContact CA-OG1 3.46Å; A351-T403 HydrophobicContact CB-CG2 4.23Å; A351-T403 WeakPolarHBondContact CB-OG1 3.32Å; I354-T403 HydrophobicContact CB-CG2 4.12Å; I354-T403 HydrophobicContact CD1-CG2 3.3Å; I354-T403 HydrophobicContact CG1-CG2 4.24Å; I354-T403 HydrophobicContact CG2-CG2 4.39Å; I399-T403 WeakPolarHBondContact O-CB 3.49Å; I399-T403 PolarHBondContact O-N 3.35Å; I399-T403 PolarHBondContact O-OG1 3.45Å; Q401-T403 VanDerWaalsContact C-N 3.26Å; Q401-T403 PolarHBondContact O-N 2.75Å; T403-L406 PolarHBondContact O-N 2.96Å; T403-Q407 WeakPolarHBondContact O-CB 3.33Å; T403-Q407 PolarHBondContact O-N 3.17Å
404T95.1Very high92.1Very high57 Ų5755 Ų5535%0.3528%0.275SS..Hα-helixtrans-64.3-41.5177.4-58.80000111R400 Q401 Q407 Q408R400-T404 WeakPolarHBondContact O-CB 3.44Å; R400-T404 PolarHBondContact O-N 2.8Å; R400-T404 PolarHBondContact O-OG1 2.9Å; Q401-T404 PolarHBondContact O-N 2.94Å; Q401-T404 VanDerWaalsContact O-N 3.12Å; T404-Q407 PolarHBondContact O-N 2.88Å; T404-Q408 HydrophobicContact CG2-CG 4.42Å; T404-Q408 WeakPolarHBondContact O-CB 3.43Å; T404-Q408 VanDerWaalsContact O-CG 3.31Å; T404-Q408 WeakPolarHBondContact O-CG 3.37Å; T404-Q408 PolarHBondContact O-N 2.94Å
405E94.3Very high92.2Very high88 Ų8857.6 Ų57.641%0.41129%0.287SS..Hα-helixtrans-64.4-39.7176.6-71.5-179.9-16000112.4Q401 A402 S409Q401-E405 PolarHBondContact NE2-OE1 2.99Å; Q401-E405 WeakPolarHBondContact O-CG 3.45Å; Q401-E405 PolarHBondContact O-N 3.39Å; A402-E405 PolarHBondContact O-N 2.86Å; E405-S409 WeakPolarHBondContact O-CB 3.28Å; E405-S409 PolarHBondContact O-N 3.22Å; E405-S409 VanDerWaalsContact O-N 3.12Å; E405-S409 PolarHBondContact O-OG 2.86Å
406L95Very high92Very high1 Ų157.9 Ų57.91%0.00529%0.289CS..Hα-helixtrans-60.9-50172.217160.4000110.5I354 I355 T358 L377 K380 I381 V384 A402 T403 Q408 S409 S410I354-L406 HydrophobicContact CG2-CD2 3.96Å; I354-L406 HydrophobicContact CG2-CG 4.03Å; I355-L406 HydrophobicContact CG1-CD2 3.78Å; T358-L406 HydrophobicContact CG2-CD1 4.31Å; L377-L406 HydrophobicContact CD1-CD1 3.57Å; L377-L406 HydrophobicContact CG-CD1 4.41Å; K380-L406 HydrophobicContact CB-CD1 3.92Å; I381-L406 HydrophobicContact CG1-CD1 3.72Å; I381-L406 HydrophobicContact CG1-CD2 4.08Å; V384-L406 HydrophobicContact CB-CD2 4.44Å; V384-L406 HydrophobicContact CG2-CB 4.15Å; V384-L406 HydrophobicContact CG2-CD2 4Å; A402-L406 PolarHBondContact O-N 2.96Å; T403-L406 PolarHBondContact O-N 2.96Å; L406-Q408 PolarHBondContact O-N 3.28Å; L406-S409 PolarHBondContact O-N 3.42Å; L406-S410 PolarHBondContact O-N 3.03Å; L406-S410 PolarHBondContact O-OG 3.24Å
407Q94.1Very high91.6Very high73 Ų7357.1 Ų57.134%0.34128%0.284SS..Hα-helixtrans-60.9-44-179.4-168.5-179.6000112.5I354 T403 T404 S409 S410 L411I354-Q407 HydrophobicContact CD1-CB 4.15Å; I354-Q407 HydrophobicContact CD1-CG 4.21Å; I354-Q407 VanDerWaalsContact CD1-OE1 3.3Å; I354-Q407 HydrophobicContact CG2-CB 4.02Å; I354-Q407 HydrophobicContact CG2-CG 4.49Å; T403-Q407 WeakPolarHBondContact O-CB 3.33Å; T403-Q407 PolarHBondContact O-N 3.17Å; T404-Q407 PolarHBondContact O-N 2.88Å; Q407-S409 VanDerWaalsContact C-N 3.3Å; Q407-S409 PolarHBondContact O-N 3.31Å; Q407-S410 PolarHBondContact O-N 2.99Å; Q407-S410 PolarHBondContact O-OG 2.73Å; Q407-L411 HydrophobicContact CG-CD1 4.27Å; Q407-L411 WeakPolarHBondContact O-CB 3.26Å; Q407-L411 VanDerWaalsContact O-CG 3.27Å; Q407-L411 WeakPolarHBondContact O-CG 3.27Å; Q407-L411 PolarHBondContact O-N 3.22Å
408Q94.4Very high91.3Very high125 Ų12560.2 Ų60.258%0.58429%0.293SS*.Hα-helixtrans-62.9-39.1176.7-74176.9-2.100111.9T404 L406 K412T404-Q408 HydrophobicContact CG2-CG 4.42Å; T404-Q408 WeakPolarHBondContact O-CB 3.43Å; T404-Q408 VanDerWaalsContact O-CG 3.31Å; T404-Q408 WeakPolarHBondContact O-CG 3.37Å; T404-Q408 PolarHBondContact O-N 2.94Å; L406-Q408 PolarHBondContact O-N 3.28Å; Q408-K412 WeakPolarHBondContact O-CB 3.46Å; Q408-K412 PolarHBondContact O-N 2.82Å; Q408-K412 VanDerWaalsContact O-N 3.13Å
409S92.4Very high90.9Very high32 Ų3265 Ų6522%0.22431%0.31CS..Hα-helixtrans-68.8-41.8178.7-52.50000111.4K380 E405 L406 Q407 L413K380-S409 WeakPolarHBondContact CD-OG 3.39Å; K380-S409 WeakPolarHBondContact CE-OG 3.42Å; K380-S409 PolarHBondContact NZ-OG 3.31Å; E405-S409 WeakPolarHBondContact O-CB 3.28Å; E405-S409 PolarHBondContact O-N 3.22Å; E405-S409 VanDerWaalsContact O-N 3.12Å; E405-S409 PolarHBondContact O-OG 2.86Å; L406-S409 PolarHBondContact O-N 3.42Å; Q407-S409 VanDerWaalsContact C-N 3.3Å; Q407-S409 PolarHBondContact O-N 3.31Å; S409-L413 WeakPolarHBondContact O-CB 3.21Å; S409-L413 PolarHBondContact O-N 2.95Å; S409-L413 VanDerWaalsContact O-N 3.12Å
410S92.1Very high90.4Very high3 Ų370.4 Ų70.42%0.02133%0.333CS..Hα-helixtrans-66.2-44.417873.30000111.5T358 L406 Q407 K412 L413 F414T358-S410 PolarHBondContact OG1-OG 2.84Å; L406-S410 PolarHBondContact O-N 3.03Å; L406-S410 PolarHBondContact O-OG 3.24Å; Q407-S410 PolarHBondContact O-N 2.99Å; Q407-S410 PolarHBondContact O-OG 2.73Å; S410-K412 PolarHBondContact O-N 3.44Å; S410-L413 PolarHBondContact O-N 3.06Å; S410-F414 WeakPolarHBondContact O-CD2 2.97Å; S410-F414 WeakPolarHBondContact O-CG 3.37Å; S410-F414 PolarHBondContact O-N 3.28Å
411L91.7Very high89.8Confident93 Ų9369 Ų6949%0.48733%0.331SS..Hα-helixtrans-57.9-47.8175.6-74.4172.6000112.5Q407 L413 F414 E415Q407-L411 HydrophobicContact CG-CD1 4.27Å; Q407-L411 WeakPolarHBondContact O-CB 3.26Å; Q407-L411 VanDerWaalsContact O-CG 3.27Å; Q407-L411 WeakPolarHBondContact O-CG 3.27Å; Q407-L411 PolarHBondContact O-N 3.22Å; L411-L413 VanDerWaalsContact C-N 3.31Å; L411-L413 PolarHBondContact O-N 3.24Å; L411-F414 PolarHBondContact O-N 3.41Å; L411-E415 VanDerWaalsContact O-CB 3.27Å; L411-E415 WeakPolarHBondContact O-CB 3.38Å; L411-E415 PolarHBondContact O-N 3.43Å
412K90.6Very high89.2Confident151 Ų15165.2 Ų65.266%0.65732%0.32SS*.Hα-helixtrans-61.5-40.6179.2-174.5179.2179.1-176.30112Q408 S410 T416Q408-K412 WeakPolarHBondContact O-CB 3.46Å; Q408-K412 PolarHBondContact O-N 2.82Å; Q408-K412 VanDerWaalsContact O-N 3.13Å; S410-K412 PolarHBondContact O-N 3.44Å; K412-T416 WeakPolarHBondContact O-CB 3.23Å; K412-T416 PolarHBondContact O-N 3.48Å; K412-T416 VanDerWaalsContact O-N 3.14Å; K412-T416 PolarHBondContact O-OG1 3.12Å
413L89.4Confident88.6Confident11 Ų1166.5 Ų66.56%0.05833%0.331CS..Hα-helixtrans-66.1-49.6178.8179.357.5000111.3L369 E373 L377 S409 S410 L411 T416 A417L369-L413 HydrophobicContact CD2-CD1 3.65Å; L369-L413 HydrophobicContact CD2-CD2 3.91Å; L369-L413 HydrophobicContact CD2-CG 3.5Å; E373-L413 HydrophobicContact CB-CD1 3.54Å; E373-L413 HydrophobicContact CB-CD2 4.26Å; E373-L413 HydrophobicContact CG-CD1 4.13Å; L377-L413 HydrophobicContact CB-CD2 4.5Å; L377-L413 HydrophobicContact CD2-CD2 3.64Å; S409-L413 WeakPolarHBondContact O-CB 3.21Å; S409-L413 PolarHBondContact O-N 2.95Å; S409-L413 VanDerWaalsContact O-N 3.12Å; S410-L413 PolarHBondContact O-N 3.06Å; L411-L413 VanDerWaalsContact C-N 3.31Å; L411-L413 PolarHBondContact O-N 3.24Å; L413-T416 PolarHBondContact O-N 2.98Å; L413-A417 PolarHBondContact O-N 2.94Å
414F89.2Confident87.8Confident21 Ų2170.6 Ų70.69%0.09235%0.353CS..Hα-helixtrans-68.2-34.8179.9-60.8-48.4000112.8T358 R361 M362 F365 L369 S410 L411 T416 A417 Y418T358-F414 HydrophobicContact CG2-CE2 4.49Å; T358-F414 HydrophobicContact CG2-CZ 4.49Å; R361-F414 HydrophobicContact CB-CD1 4.21Å; R361-F414 HydrophobicContact CB-CD2 4.24Å; R361-F414 HydrophobicContact CB-CE1 3.54Å; R361-F414 HydrophobicContact CB-CE2 3.56Å; R361-F414 HydrophobicContact CB-CZ 3.19Å; R361-F414 HydrophobicContact CG-CE2 4.26Å; R361-F414 HydrophobicContact CG-CZ 4.32Å; M362-F414 HydrophobicContact CG-CE1 4.24Å; M362-F414 HydrophobicContact CG-CZ 3.93Å; F365-F414 HydrophobicContact CD2-CD1 4.06Å; F365-F414 HydrophobicContact CD2-CE1 4.34Å; L369-F414 HydrophobicContact CD1-CE1 4.14Å; L369-F414 HydrophobicContact CD2-CD1 4.41Å; S410-F414 WeakPolarHBondContact O-CD2 2.97Å; S410-F414 WeakPolarHBondContact O-CG 3.37Å; S410-F414 PolarHBondContact O-N 3.28Å; L411-F414 PolarHBondContact O-N 3.41Å; F414-T416 VanDerWaalsContact C-N 3.31Å; F414-T416 PolarHBondContact O-N 3.26Å; F414-A417 PolarHBondContact O-N 3.42Å; F414-Y418 WeakPolarHBondContact O-CB 3.41Å; F414-Y418 PolarHBondContact O-N 3.49Å
415E87.7Confident87Confident107 Ų10777 Ų7750%0.537%0.371SS..Hα-helixtrans-60.8-42.5172.3-171.8-169.7161.700111.2L411 Y418 K419L411-E415 VanDerWaalsContact O-CB 3.27Å; L411-E415 WeakPolarHBondContact O-CB 3.38Å; L411-E415 PolarHBondContact O-N 3.43Å; E415-Y418 PolarHBondContact O-N 3.32Å; E415-K419 HydrophobicContact CG-CD 4.36Å; E415-K419 WeakPolarHBondContact O-CB 3.2Å; E415-K419 WeakPolarHBondContact O-CG 3.15Å; E415-K419 PolarHBondContact O-N 3.5Å; E415-K419 WeakPolarHBondContact OE1-CE 3.39Å; E415-K419 IonicContact OE1-NZ 2.64Å; E415-K419 PolarHBondContact OE1-NZ 2.81Å
416T84.4Confident86Confident82 Ų8280 Ų8050%0.50339%0.385SS..Hα-helixtrans-66.3-42.9177.8-54.50000111.3K412 L413 F414 K419 K420K412-T416 WeakPolarHBondContact O-CB 3.23Å; K412-T416 PolarHBondContact O-N 3.48Å; K412-T416 VanDerWaalsContact O-N 3.14Å; K412-T416 PolarHBondContact O-OG1 3.12Å; L413-T416 PolarHBondContact O-N 2.98Å; F414-T416 VanDerWaalsContact C-N 3.31Å; F414-T416 PolarHBondContact O-N 3.26Å; T416-K419 PolarHBondContact O-N 3.48Å; T416-K420 WeakPolarHBondContact O-CB 3.49Å; T416-K420 PolarHBondContact O-N 2.87Å
417A82.4Confident84.6Confident4 Ų483.7 Ų83.73%0.03341%0.407CS..Hα-helixtrans-62-43.9175.900000111.9L369 L413 F414 K420 M421L369-A417 HydrophobicContact CD2-CB 3.76Å; L413-A417 PolarHBondContact O-N 2.94Å; F414-A417 PolarHBondContact O-N 3.42Å; A417-K420 PolarHBondContact O-N 3.47Å; A417-M421 WeakPolarHBondContact O-CG 3.24Å; A417-M421 PolarHBondContact O-N 2.94Å
418Y83.7Confident83Confident169 Ų16983.8 Ų83.866%0.66342%0.416SS*.Hα-helixtrans-63.7-45.1178-167.4-90.2000112.2F414 E415 K420 M421 A422F414-Y418 WeakPolarHBondContact O-CB 3.41Å; F414-Y418 PolarHBondContact O-N 3.49Å; E415-Y418 PolarHBondContact O-N 3.32Å; Y418-K420 VanDerWaalsContact C-N 3.28Å; Y418-K420 PolarHBondContact O-N 2.74Å; Y418-M421 PolarHBondContact O-N 2.75Å; Y418-A422 WeakPolarHBondContact O-CB 3.32Å; Y418-A422 PolarHBondContact O-N 2.71Å
419K84.9Confident81.3Confident127 Ų12780 Ų8055%0.55241%0.41SS*.Hα-helixtrans-59-39.7174.8-78.3172.9171.7169.50112E415 T416 A422 A423E415-K419 HydrophobicContact CG-CD 4.36Å; E415-K419 WeakPolarHBondContact O-CB 3.2Å; E415-K419 WeakPolarHBondContact O-CG 3.15Å; E415-K419 PolarHBondContact O-N 3.5Å; E415-K419 WeakPolarHBondContact OE1-CE 3.39Å; E415-K419 IonicContact OE1-NZ 2.64Å; E415-K419 PolarHBondContact OE1-NZ 2.81Å; T416-K419 PolarHBondContact O-N 3.48Å; K419-A422 PolarHBondContact O-N 2.59Å; K419-A423 PolarHBondContact O-N 2.65Å; K419-A423 VanDerWaalsContact O-N 3.08Å
420K82Confident79.3Confident116 Ų11681.6 Ų81.650%0.50442%0.422SS..Hα-helixtrans-66.4-45.3176.1-170-179.7175.6-171.40111.9T416 A417 Y418 A422 A423 D424T416-K420 WeakPolarHBondContact O-CB 3.49Å; T416-K420 PolarHBondContact O-N 2.87Å; A417-K420 PolarHBondContact O-N 3.47Å; Y418-K420 VanDerWaalsContact C-N 3.28Å; Y418-K420 PolarHBondContact O-N 2.74Å; K420-A422 VanDerWaalsContact C-N 3.31Å; K420-A422 PolarHBondContact O-N 3.22Å; K420-A423 PolarHBondContact O-N 3.45Å; K420-D424 VanDerWaalsContact O-CG 3.29Å; K420-D424 PolarHBondContact O-N 3.44Å
421M80.1Confident77.3Confident49 Ų4988.3 Ų88.324%0.24145%0.453CS..Hα-helixtrans-62.1-36.9175.7-71177.673.600113.1F365 Q368 A417 Y418 R425F365-M421 HydrophobicContact CD1-SD 3.89Å; F365-M421 HydrophobicContact CE1-SD 3.93Å; Q368-M421 HydrophobicContact CB-CG 4.36Å; Q368-M421 HydrophobicContact CB-SD 4.41Å; Q368-M421 HydrophobicContact CG-CG 3.88Å; Q368-M421 HydrophobicContact CG-SD 3.88Å; A417-M421 WeakPolarHBondContact O-CG 3.24Å; A417-M421 PolarHBondContact O-N 2.94Å; Y418-M421 PolarHBondContact O-N 2.75Å; M421-R425 WeakPolarHBondContact O-CG 3.26Å; M421-R425 PolarHBondContact O-N 3.4Å; M421-R425 VanDerWaalsContact O-N 3.12Å
422A81.9Confident75.3Confident42 Ų4292.2 Ų92.235%0.34747%0.469SS..Hα-helixtrans-65-45.6174.800000111.3Y418 K419 K420 R425 E426Y418-A422 WeakPolarHBondContact O-CB 3.32Å; Y418-A422 PolarHBondContact O-N 2.71Å; K419-A422 PolarHBondContact O-N 2.59Å; K420-A422 VanDerWaalsContact C-N 3.31Å; K420-A422 PolarHBondContact O-N 3.22Å; A422-R425 PolarHBondContact O-N 3.32Å; A422-E426 PolarHBondContact O-N 3.02Å; A422-E426 VanDerWaalsContact O-N 3.1Å
423A81.4Confident73.4Confident46 Ų4689.3 Ų89.338%0.3847%0.467SS..Hα-helixtrans-62.9-44.2175.900000112.3K419 K420 R425 E426 T427K419-A423 PolarHBondContact O-N 2.65Å; K419-A423 VanDerWaalsContact O-N 3.08Å; K420-A423 PolarHBondContact O-N 3.45Å; A423-R425 VanDerWaalsContact C-N 3.28Å; A423-R425 PolarHBondContact O-N 2.87Å; A423-E426 PolarHBondContact O-N 3.42Å; A423-T427 PolarHBondContact O-N 3.25Å; A423-T427 PolarHBondContact O-OG1 3.39Å
424D78.1Confident71.6Confident86 Ų8693.1 Ų93.146%0.4650%0.495SS..Hα-helixtrans-63.3-33.6178.9-69.1-18.8000111.9K420 S428K420-D424 VanDerWaalsContact O-CG 3.29Å; K420-D424 PolarHBondContact O-N 3.44Å; D424-S428 WeakPolarHBondContact O-CB 3.45Å; D424-S428 PolarHBondContact O-N 3.49Å; D424-S428 PolarHBondContact O-OG 2.97Å
425R76.7Confident69.9Low191 Ų19199.7 Ų99.772%0.72153%0.531SS*.Hα-helixtrans-69.8-42173.4-81.2-176.3177-179.11.2113.2M421 A422 A423 T427 S428 G429M421-R425 WeakPolarHBondContact O-CG 3.26Å; M421-R425 PolarHBondContact O-N 3.4Å; M421-R425 VanDerWaalsContact O-N 3.12Å; A422-R425 PolarHBondContact O-N 3.32Å; A423-R425 VanDerWaalsContact C-N 3.28Å; A423-R425 PolarHBondContact O-N 2.87Å; R425-T427 VanDerWaalsContact C-N 3.32Å; R425-S428 PolarHBondContact O-N 2.88Å; R425-G429 PolarHBondContact O-N 3.3Å
426E73.3Confident68.1Low152 Ų15298.1 Ų98.171%0.7154%0.543SS*.Hα-helixtrans-63.8-39.5175.6-73.9-177.517500111.5A422 A423 S430A422-E426 PolarHBondContact O-N 3.02Å; A422-E426 VanDerWaalsContact O-N 3.1Å; A423-E426 PolarHBondContact O-N 3.42Å; E426-S430 PolarHBondContact O-N 2.92Å; E426-S430 PolarHBondContact O-OG 3.36Å
427T67Low66.4Low78 Ų78103.1 Ų103.148%0.47956%0.561SS.*Hα-helixtrans-68.8-38.8177.5-270000111.9A423 R425 S430 Q431A423-T427 PolarHBondContact O-N 3.25Å; A423-T427 PolarHBondContact O-OG1 3.39Å; R425-T427 VanDerWaalsContact C-N 3.32Å; T427-S430 PolarHBondContact O-OG 3.12Å; T427-Q431 PolarHBondContact O-N 3.49Å
428S60.3Low64.8Low75 Ų75112.4 Ų112.452%0.52460%0.604SS.*Hα-helixtrans-73.6-31.9178.1-55.70000113.3D424 R425D424-S428 WeakPolarHBondContact O-CB 3.45Å; D424-S428 PolarHBondContact O-N 3.49Å; D424-S428 PolarHBondContact O-OG 2.97Å; R425-S428 PolarHBondContact O-N 2.88Å
429G57.4Low63.2Low45 Ų45114.1 Ų114.146%0.46461%0.614SS.*Hα-helixtrans-73.9-28.3176.800000114R425 S433R425-G429 PolarHBondContact O-N 3.3Å; G429-S433 PolarHBondContact O-OG 2.65Å
430S52Low61.3Low66 Ų66117.7 Ų117.746%0.46263%0.63SS.*Hα-helixtrans-81-25.4178.7560000113.8E426 T427 S433E426-S430 PolarHBondContact O-N 2.92Å; E426-S430 PolarHBondContact O-OG 3.36Å; T427-S430 PolarHBondContact O-OG 3.12Å; S430-S433 PolarHBondContact O-OG 3.08Å
431Q49.9Very low59.5Low144 Ų144121.6 Ų121.667%0.67365%0.65SS**Hα-helixtrans-79.4-21.9174-85.1175.1-29.300114.1T427T427-Q431 PolarHBondContact O-N 3.49Å
432Q49.3Very low58Low175 Ų175128.3 Ų128.382%0.81868%0.681SS**SBendtrans-85.8-13.2179.3-133.61723.100113.5
433S50.3Low56.2Low89 Ų89136.7 Ų136.762%0.62273%0.728SS**SBendtrans-97.4-11.6179.731.30000113.8G429 S430G429-S433 PolarHBondContact O-OG 2.65Å; S430-S433 PolarHBondContact O-OG 3.08Å
434S51.8Low55Low91 Ų91141.3 Ų141.364%0.63675%0.746SS**SBendtrans-93.8-8.218059.40000115.8
435D52.5Low53.8Low159 Ų159144.2 Ų144.285%0.8576%0.761SS**SBendtrans-102.75.7-175.1-119.31.3000114.1
436G50.4Low52.5Low74 Ų74141.6 Ų141.676%0.76376%0.763SS**SBendtrans-100.7-6.9-172.800000117
437E48.6Very low51.3Low188 Ų188140.9 Ų140.988%0.87977%0.766SS**SBendtrans-118.810.9-161.9-131.3167.2-167.200116
438Q50.2Low50.3Low198 Ų198144.9 Ų144.993%0.92578%0.784SS**SBendtrans-114.719.9-175.9-98.1-175-6.600117
439K49.2Very low49.6Very low205 Ų205149.5 Ų149.589%0.89180%0.801SS**  trans-127.863.9174.4-83.6-174176.3175.40113.4
440K44Very low49.1Very low203 Ų203157 Ų15788%0.88383%0.825SS**  trans-154.584.5159.8-85.8-169.7-179.8171.40110.2
441E44.7Very low48.8Very low198 Ų198164 Ų16493%0.92585%0.853SS**  trans-171.8141.1148.8-106.2167.6-170.200108.4
442E50.1Low48.7Very low190 Ų190165.7 Ų165.789%0.88887%0.868SS**  trans81.574.6-176-55.9-171.116300118
443T44Very low48.7Very low218 Ų218164.8 Ų164.8100%1.33787%0.873SS**  179.40104.8-45.20000109.6

Retrieved 443 of 443 residues in 79.2 ms (Link to these results)

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