A0A087XD56_POEFO Loading...

Lipolysis stimulated lipoprotein receptor

AlphaFold DB , UniProt , Accession A0A087XD56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 609 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
1M58.8Low68.9Low193 Ų193119.5 Ų119.595%0.95161%0.605SS**  0-64.60-60.6-166.386.200112.2W3 T4 V5M1-W3 PolarHBondContact O-N 2.89Å; M1-T4 WeakPolarHBondContact CA-OG1 3.41Å; M1-T4 PolarHBondContact N-OG1 3.11Å; M1-T4 PolarHBondContact O-N 3.11Å; M1-T4 PolarHBondContact O-OG1 3.07Å; M1-V5 WeakPolarHBondContact O-CG2 3.5Å; M1-V5 PolarHBondContact O-N 3.25Å
2F67.8Low67.8Low194 Ų194116.7 Ų116.785%0.85161%0.614SS**Hα-helixtrans-56.6-48.4177.2-95.6-81.9000113.6T4 V5 F6F2-T4 VanDerWaalsContact C-N 3.34Å; F2-T4 PolarHBondContact O-N 2.88Å; F2-V5 PolarHBondContact O-N 3.14Å; F2-F6 WeakPolarHBondContact O-CB 3.1Å; F2-F6 PolarHBondContact O-N 2.92Å
3W66.9Low66.8Low209 Ų209115.1 Ų115.179%0.79261%0.612SS**Hα-helixtrans-59.7-40.3176.6-166.2-85.7000113.3M1 F6 V7M1-W3 PolarHBondContact O-N 2.89Å; W3-F6 PolarHBondContact O-N 2.96Å; W3-V7 WeakPolarHBondContact O-CB 3.41Å; W3-V7 WeakPolarHBondContact O-CG2 3.34Å; W3-V7 PolarHBondContact O-N 3.38Å
4T75.7Confident65.6Low90 Ų90116.6 Ų116.655%0.55261%0.613SS**Hα-helixtrans-70.5-31.5178.246.50000112.4M1 F2 A8M1-T4 WeakPolarHBondContact CA-OG1 3.41Å; M1-T4 PolarHBondContact N-OG1 3.11Å; M1-T4 PolarHBondContact O-N 3.11Å; M1-T4 PolarHBondContact O-OG1 3.07Å; F2-T4 VanDerWaalsContact C-N 3.34Å; F2-T4 PolarHBondContact O-N 2.88Å; T4-A8 WeakPolarHBondContact O-CB 3.48Å; T4-A8 PolarHBondContact O-N 3.45Å
5V78.3Confident64.8Low87 Ų87114.3 Ų114.353%0.52761%0.611SS.*Hα-helixtrans-71.9-41.8170.7172.60000110.6M1 F2 A8 V9M1-V5 WeakPolarHBondContact O-CG2 3.5Å; M1-V5 PolarHBondContact O-N 3.25Å; F2-V5 PolarHBondContact O-N 3.14Å; V5-A8 PolarHBondContact O-N 2.98Å; V5-V9 HydrophobicContact CG1-CG2 4.32Å; V5-V9 WeakPolarHBondContact O-CB 3.33Å; V5-V9 VanDerWaalsContact O-CG2 3.3Å; V5-V9 WeakPolarHBondContact O-CG2 3.5Å; V5-V9 PolarHBondContact O-N 3Å
6F75.6Confident64.2Low138 Ų138112.3 Ų112.361%0.60562%0.615SS**Hα-helixtrans-65-41.3178.6-158.8-100.9000111.9F2 W3 V9 L10F2-F6 WeakPolarHBondContact O-CB 3.1Å; F2-F6 PolarHBondContact O-N 2.92Å; W3-F6 PolarHBondContact O-N 2.96Å; F6-V9 PolarHBondContact O-N 3.06Å; F6-L10 HydrophobicContact CD1-CD1 3.71Å; F6-L10 HydrophobicContact CD1-CG 4.37Å; F6-L10 HydrophobicContact CE1-CD1 3.75Å; F6-L10 HydrophobicContact CE1-CG 4.35Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 WeakPolarHBondContact O-CG 3.48Å; F6-L10 PolarHBondContact O-N 3.15Å
7V75.3Confident64.2Low61 Ų61111.6 Ų111.637%0.3761%0.61SS.*Hα-helixtrans-65.5-44.5170.8172.50000111.1W3 V9 L10 M11W3-V7 WeakPolarHBondContact O-CB 3.41Å; W3-V7 WeakPolarHBondContact O-CG2 3.34Å; W3-V7 PolarHBondContact O-N 3.38Å; V7-V9 VanDerWaalsContact C-N 3.3Å; V7-V9 PolarHBondContact O-N 2.9Å; V7-L10 PolarHBondContact O-N 3.03Å; V7-M11 HydrophobicContact CG1-CG 4.18Å; V7-M11 VanDerWaalsContact O-CG 3.25Å; V7-M11 WeakPolarHBondContact O-CG 3.47Å; V7-M11 PolarHBondContact O-N 3.01Å
8A69.9Low64.8Low60 Ų60107.5 Ų107.550%0.49659%0.593SS.*Hα-helixtrans-62.4-36.1177.200000112.9T4 V5 A12T4-A8 WeakPolarHBondContact O-CB 3.48Å; T4-A8 PolarHBondContact O-N 3.45Å; V5-A8 PolarHBondContact O-N 2.98Å; A8-A12 VanDerWaalsContact O-CB 3.26Å; A8-A12 WeakPolarHBondContact O-CB 3.45Å; A8-A12 PolarHBondContact O-N 2.9Å
9V68.2Low66Low81 Ų81101.9 Ų101.949%0.49156%0.562SS.*Hα-helixtrans-68.9-43172.7169.80000110.8V5 F6 V7 M11 A12 T13V5-V9 HydrophobicContact CG1-CG2 4.32Å; V5-V9 WeakPolarHBondContact O-CB 3.33Å; V5-V9 VanDerWaalsContact O-CG2 3.3Å; V5-V9 WeakPolarHBondContact O-CG2 3.5Å; V5-V9 PolarHBondContact O-N 3Å; F6-V9 PolarHBondContact O-N 3.06Å; V7-V9 VanDerWaalsContact C-N 3.3Å; V7-V9 PolarHBondContact O-N 2.9Å; V9-M11 PolarHBondContact O-N 3.05Å; V9-A12 CarbonylContact O-C 3.44Å; V9-A12 PolarHBondContact O-N 2.84Å; V9-A12 VanDerWaalsContact O-N 3.17Å; V9-T13 WeakPolarHBondContact O-CG2 3.28Å; V9-T13 PolarHBondContact O-N 2.93Å; V9-T13 PolarHBondContact O-OG1 3.05Å
10L62Low67.1Low91 Ų91102.2 Ų102.248%0.47656%0.56SS.*Hα-helixtrans-60.8-43.8175.8-79.1168.6000112.2F6 V7 A12 T13 E14F6-L10 HydrophobicContact CD1-CD1 3.71Å; F6-L10 HydrophobicContact CD1-CG 4.37Å; F6-L10 HydrophobicContact CE1-CD1 3.75Å; F6-L10 HydrophobicContact CE1-CG 4.35Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 WeakPolarHBondContact O-CG 3.48Å; F6-L10 PolarHBondContact O-N 3.15Å; V7-L10 PolarHBondContact O-N 3.03Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-T13 WeakPolarHBondContact CA-OG1 3.28Å; L10-T13 CarbonylContact O-C 3.3Å; L10-T13 VanDerWaalsContact O-C 3.3Å; L10-T13 WeakPolarHBondContact O-CA 3.39Å; L10-T13 PolarHBondContact O-N 2.71Å; L10-T13 PolarHBondContact O-OG1 3.31Å; L10-E14 PolarHBondContact O-N 3.37Å; L10-E14 VanDerWaalsContact O-N 3.12Å
11M59.8Low68.3Low110 Ų11097.4 Ų97.454%0.54253%0.533SS..Hα-helixtrans-67.7-33.2174.5-59.5-63.9-69.500111.8V7 V9 T13 E14V7-M11 HydrophobicContact CG1-CG 4.18Å; V7-M11 VanDerWaalsContact O-CG 3.25Å; V7-M11 WeakPolarHBondContact O-CG 3.47Å; V7-M11 PolarHBondContact O-N 3.01Å; V9-M11 PolarHBondContact O-N 3.05Å; M11-T13 PolarHBondContact O-N 3.4Å; M11-E14 WeakPolarHBondContact O-CB 3.47Å; M11-E14 PolarHBondContact O-N 2.73Å
12A55.7Low69.8Low86 Ų8690.8 Ų90.871%0.71150%0.504SS*.Hα-helixtrans-73-10.4170.400000113.5A8 V9 L10A8-A12 VanDerWaalsContact O-CB 3.26Å; A8-A12 WeakPolarHBondContact O-CB 3.45Å; A8-A12 PolarHBondContact O-N 2.9Å; V9-A12 CarbonylContact O-C 3.44Å; V9-A12 PolarHBondContact O-N 2.84Å; V9-A12 VanDerWaalsContact O-N 3.17Å; L10-A12 VanDerWaalsContact C-N 3.35Å
13T54.3Low71Confident96 Ų9682.3 Ų82.359%0.58947%0.469SS*.THydrogen-bonded Turntrans-105.511.7168.558.80000113.2V9 L10 M11 S15V9-T13 WeakPolarHBondContact O-CG2 3.28Å; V9-T13 PolarHBondContact O-N 2.93Å; V9-T13 PolarHBondContact O-OG1 3.05Å; L10-T13 WeakPolarHBondContact CA-OG1 3.28Å; L10-T13 CarbonylContact O-C 3.3Å; L10-T13 VanDerWaalsContact O-C 3.3Å; L10-T13 WeakPolarHBondContact O-CA 3.39Å; L10-T13 PolarHBondContact O-N 2.71Å; L10-T13 PolarHBondContact O-OG1 3.31Å; M11-T13 PolarHBondContact O-N 3.4Å; T13-S15 PolarHBondContact O-N 3.32Å
14E49.6Very low72.1Confident136 Ų13676.5 Ų76.564%0.63646%0.458SS*.SBendtrans-60.6112.7156.3-74.2-168.8133.400106.8L10 M11 A16L10-E14 PolarHBondContact O-N 3.37Å; L10-E14 VanDerWaalsContact O-N 3.12Å; M11-E14 WeakPolarHBondContact O-CB 3.47Å; M11-E14 PolarHBondContact O-N 2.73Å; E14-A16 PolarHBondContact O-N 3.31Å
15S53.5Low72.8Confident83 Ų8374.8 Ų74.858%0.5845%0.447SS*.  trans-53124.7-170.951.40000110.7T13 L17T13-S15 PolarHBondContact O-N 3.32Å; S15-L17 PolarHBondContact O-N 3.34Å; S15-L17 VanDerWaalsContact O-N 3.08Å
16A55.3Low73.3Confident82 Ų8278.5 Ų78.568%0.67846%0.456SS*.  trans-50.4119.6178.100000110E14 A18E14-A16 PolarHBondContact O-N 3.31Å; A16-A18 HydrophobicContact CB-CB 4.44Å; A16-A18 PolarHBondContact O-N 2.96Å
17L64.2Low74Confident101 Ų10178.8 Ų78.853%0.52945%0.453SS..  trans-7657.3-177-61.3175.4000110.7S15 S45 S149S15-L17 PolarHBondContact O-N 3.34Å; S15-L17 VanDerWaalsContact O-N 3.08Å; L17-S45 WeakPolarHBondContact CD2-OG 3.46Å; L17-S149 PolarHBondContact O-OG 3.38Å
18A74.9Confident74.7Confident37 Ų3777.2 Ų77.231%0.30644%0.441SS..EExtended strand (participates in β ladder)trans-112.2120.7-169.700000109.8A16 S149A16-A18 HydrophobicContact CB-CB 4.44Å; A16-A18 PolarHBondContact O-N 2.96Å; A18-S149 CarbonylContact C-O 3.55Å; A18-S149 VanDerWaalsContact CA-O 3.29Å; A18-S149 WeakPolarHBondContact CA-O 3.45Å; A18-S149 WeakPolarHBondContact CA-OG 3.38Å
19I87.8Confident75.6Confident1 Ų178.4 Ų78.41%0.00544%0.442CS..EExtended strand (participates in β ladder)trans-84.3128.8167.9-171.9155.8000108.8T43 V142 D147 S149 G150 N151 N152I19-T43 WeakPolarHBondContact CA-O 3.35Å; I19-V142 HydrophobicContact CD1-CB 4.04Å; I19-V142 HydrophobicContact CD1-CG1 3.76Å; I19-D147 HydrophobicContact CB-CB 4.13Å; I19-D147 WeakPolarHBondContact CG2-O 3.31Å; I19-S149 WeakPolarHBondContact CG2-O 3.22Å; I19-S149 PolarHBondContact N-O 2.64Å; I19-G150 CarbonylContact O-C 3.32Å; I19-G150 WeakPolarHBondContact O-CA 2.9Å; I19-N151 CarbonylContact O-C 3.52Å; I19-N151 PolarHBondContact O-N 2.73Å; I19-N152 HydrophobicContact CG2-CB 3.82Å
20E89.3Confident76.6Confident108 Ų10875.1 Ų75.151%0.50542%0.422SS..EExtended strand (participates in β ladder)trans-123.3122.8173.7-169.9179.8-174.500109.7T22 Y42 T43E20-T22 HydrophobicContact CG-CG2 4.17Å; E20-Y42 VanDerWaalsContact O-CA 3.24Å; E20-Y42 WeakPolarHBondContact O-CA 3.33Å; E20-T43 PolarHBondContact N-O 2.69Å; E20-T43 VanDerWaalsContact N-O 3.17Å; E20-T43 PolarHBondContact O-N 2.86Å
21V91.3Very high77.9Confident1 Ų173.8 Ų73.81%0.00641%0.414CS..EExtended strand (participates in β ladder)trans-104123.4175.7-176.70000109.6C40 C140 V142 N151 N152 K154V21-C40 VanDerWaalsContact CG1-SG 3.57Å; V21-C140 HydrophobicContact CG1-CB 4.31Å; V21-V142 HydrophobicContact CG1-CG2 4.3Å; V21-V142 HydrophobicContact CG2-CB 3.76Å; V21-V142 HydrophobicContact CG2-CG2 3.66Å; V21-N151 PolarHBondContact N-O 2.88Å; V21-N152 WeakPolarHBondContact CG2-O 3.24Å; V21-K154 HydrophobicContact CB-CB 4.4Å; V21-K154 HydrophobicContact CG1-CB 3.9Å
22T90.8Very high79.3Confident54 Ų5470.6 Ų70.633%0.33140%0.399SS..EExtended strand (participates in β ladder)trans-122.4137.8-179.158.20000110.4E20 E41E20-T22 HydrophobicContact CG-CG2 4.17Å; T22-E41 PolarHBondContact N-O 3.48Å; T22-E41 PolarHBondContact O-N 3.14Å; T22-E41 VanDerWaalsContact O-O 3.09Å
23C92.2Very high80.8Confident17 Ų1773.1 Ų73.112%0.11539%0.394CS..  trans-120.4113.6170.7-63.10000107.2T25 K154 T156C23-T25 VanDerWaalsContact C-N 3.34Å; C23-T25 PolarHBondContact O-N 3.03Å; C23-K154 HydrophobicContact CB-CG 4.18Å; C23-T156 HydrophobicContact CB-CG2 3.43Å; C23-T156 VanDerWaalsContact CB-CG2 3.43Å
24P90.6Very high82.5Confident86 Ų8672.1 Ų72.156%0.55838%0.383SS*.SBendtrans-67.5-37.2-174.325.2-33.1000111.8N39P24-N39 HydrophobicContact CG-CB 3.88Å
25T91Very high84.5Confident54 Ų5469.9 Ų69.933%0.33138%0.38SS..  trans-103.1111.4179.9-57.90000110.1C23 R27 Y28 T156C23-T25 VanDerWaalsContact C-N 3.34Å; C23-T25 PolarHBondContact O-N 3.03Å; T25-R27 WeakPolarHBondContact CG2-O 3.43Å; T25-Y28 WeakPolarHBondContact CB-OH 3.47Å; T25-Y28 HydrophobicContact CG2-CD1 4.24Å; T25-Y28 HydrophobicContact CG2-CD2 3.88Å; T25-Y28 HydrophobicContact CG2-CE1 3.97Å; T25-Y28 HydrophobicContact CG2-CE2 3.57Å; T25-Y28 HydrophobicContact CG2-CG 4.21Å; T25-T156 VanDerWaalsContact O-CG2 3.31Å; T25-T156 WeakPolarHBondContact O-CG2 3.48Å
26K88.3Confident86.4Confident166 Ų16666.4 Ų66.472%0.72236%0.355SS*.SBendtrans-72.8-30.3-179.5-65.6-175.4-178.6179.20114.1T156 E157K26-T156 CarbonylContact O-C 3.6Å; K26-T156 WeakPolarHBondContact O-CA 3.41Å; K26-E157 PolarHBondContact O-N 3.28Å
27R89.3Confident88.3Confident143 Ų14364.7 Ų64.754%0.5434%0.336SS..EExtended strand (participates in β ladder)trans-140.7128.6-175.6178.1179.3-69.4166.61.4110.6T25 V29 E157 I159T25-R27 WeakPolarHBondContact CG2-O 3.43Å; R27-V29 HydrophobicContact CG-CG2 4.19Å; R27-E157 CarbonylContact C-O 3.6Å; R27-E157 WeakPolarHBondContact CA-O 3.38Å; R27-E157 HydrophobicContact CB-CB 4.3Å; R27-E157 HydrophobicContact CG-CB 4.28Å; R27-E157 IonicContact CZ-OE2 2.96Å; R27-E157 IonicContact NE-OE2 3.61Å; R27-E157 PolarHBondContact NE-OE2 3.33Å; R27-E157 IonicContact NH2-OE1 3.96Å; R27-E157 IonicContact NH2-OE2 3.57Å; R27-E157 PolarHBondContact NH2-OE2 2.87Å; R27-I159 HydrophobicContact CG-CD1 4.35Å
28Y89.9Confident89.8Confident29 Ų2959.9 Ų59.911%0.11431%0.311CS..EExtended strand (participates in β ladder)trans-109133.5171-67.6-99.1000108.8T25 V36 T37 L38 N39 T156 E157 I159T25-Y28 WeakPolarHBondContact CB-OH 3.47Å; T25-Y28 HydrophobicContact CG2-CD1 4.24Å; T25-Y28 HydrophobicContact CG2-CD2 3.88Å; T25-Y28 HydrophobicContact CG2-CE1 3.97Å; T25-Y28 HydrophobicContact CG2-CE2 3.57Å; T25-Y28 HydrophobicContact CG2-CG 4.21Å; Y28-V36 HydrophobicContact CD1-CG2 3.88Å; Y28-V36 HydrophobicContact CG-CG2 4.31Å; Y28-T37 WeakPolarHBondContact CE1-O 3.44Å; Y28-T37 PolarHBondContact OH-O 3.28Å; Y28-L38 HydrophobicContact CD1-CD2 4.19Å; Y28-L38 HydrophobicContact CD2-CD2 3.46Å; Y28-L38 VanDerWaalsContact CD2-CD2 3.46Å; Y28-L38 HydrophobicContact CE1-CD2 4.46Å; Y28-L38 HydrophobicContact CE2-CB 4.41Å; Y28-L38 HydrophobicContact CE2-CD2 3.78Å; Y28-L38 HydrophobicContact CG-CD2 3.68Å; Y28-N39 WeakPolarHBondContact OH-CB 3.36Å; Y28-N39 PolarHBondContact OH-N 3.41Å; Y28-N39 PolarHBondContact OH-OD1 3.1Å; Y28-T156 HydrophobicContact CE2-CG2 4.47Å; Y28-E157 PolarHBondContact N-O 3.47Å; Y28-I159 PolarHBondContact O-N 2.8Å
29V89.4Confident90.7Very high84 Ų8460.7 Ų60.751%0.50931%0.31SS..EExtended strand (participates in β ladder)trans-122122.1174-176.90000107R27 I159 L161R27-V29 HydrophobicContact CG-CG2 4.19Å; V29-I159 WeakPolarHBondContact CA-O 3.26Å; V29-I159 HydrophobicContact CG2-CB 4.44Å; V29-L161 HydrophobicContact CG1-CD1 3.44Å; V29-L161 VanDerWaalsContact CG1-CD1 3.44Å; V29-L161 HydrophobicContact CG1-CG 3.91Å
30V90.2Very high91Very high12 Ų1260.7 Ų60.77%0.07331%0.31CS..EExtended strand (participates in β ladder)trans-138.8152.6-173.9-59.10000111.2Q34 V36 A130 L158 I159 V160 L161V30-Q34 HydrophobicContact CB-CB 4.46Å; V30-V36 HydrophobicContact CG1-CB 4Å; V30-V36 HydrophobicContact CG1-CG2 3.79Å; V30-A130 HydrophobicContact CG2-CB 4.07Å; V30-L158 HydrophobicContact CG1-CD1 4.4Å; V30-L158 HydrophobicContact CG2-CD1 3.79Å; V30-I159 PolarHBondContact N-O 3.22Å; V30-V160 HydrophobicContact CG2-CG2 4.18Å; V30-V160 CarbonylContact O-C 3.56Å; V30-V160 WeakPolarHBondContact O-CA 3.22Å; V30-L161 PolarHBondContact O-N 2.84Å
31M88.3Confident91.1Very high64 Ų6460.8 Ų60.832%0.31531%0.311SS..EExtended strand (participates in β ladder)trans-78.2156.2171.3-71.8176.2-85.100111.3F33 Q34 R163M31-F33 PolarHBondContact O-N 3Å; M31-Q34 HydrophobicContact CB-CB 4.46Å; M31-Q34 WeakPolarHBondContact O-CB 3.45Å; M31-Q34 PolarHBondContact O-N 2.93Å; M31-Q34 VanDerWaalsContact O-N 3.12Å; M31-R163 PolarHBondContact SD-NH2 2.82Å
32L89Confident91.1Very high43 Ų4362.5 Ų62.523%0.22532%0.317CS..THydrogen-bonded Turntrans-50.9137.8168.6-17173.7000112Q34 W132 V160 L161L32-Q34 PolarHBondContact O-N 3.11Å; L32-W132 HydrophobicContact CD1-CB 4.49Å; L32-W132 HydrophobicContact CD1-CD2 4.24Å; L32-W132 HydrophobicContact CD1-CG 3.77Å; L32-W132 VanDerWaalsContact CD2-NE1 3.3Å; L32-V160 HydrophobicContact CD1-CG1 4.29Å; L32-L161 PolarHBondContact N-O 3.01Å; L32-L161 VanDerWaalsContact N-O 3.07Å
33F88.4Confident91Very high138 Ų13864 Ų6461%0.60533%0.327SS*.THydrogen-bonded Turntrans629.6-175.1-53.4-64.3000116M31 A130M31-F33 PolarHBondContact O-N 3Å; F33-A130 PolarHBondContact N-O 2.73Å
34Q90Very high90.6Very high76 Ų7665.5 Ų65.536%0.35534%0.335SS..  trans-80.6140.6173.3-166.3175.3-3.900110.8V30 M31 L32 A130V30-Q34 HydrophobicContact CB-CB 4.46Å; M31-Q34 HydrophobicContact CB-CB 4.46Å; M31-Q34 WeakPolarHBondContact O-CB 3.45Å; M31-Q34 PolarHBondContact O-N 2.93Å; M31-Q34 VanDerWaalsContact O-N 3.12Å; L32-Q34 PolarHBondContact O-N 3.11Å; Q34-A130 VanDerWaalsContact O-CB 3.23Å; Q34-A130 WeakPolarHBondContact O-CB 3.36Å; Q34-A130 PolarHBondContact O-N 3.42Å; Q34-A130 VanDerWaalsContact O-N 3.16Å
35P91.8Very high90.2Very high88 Ų8863.7 Ų63.757%0.57132%0.324SS*.  trans-70.3140.8169.327.7-34000111.4I127 S128P35-I127 WeakPolarHBondContact CA-O 3.37Å; P35-S128 WeakPolarHBondContact CA-O 3.46Å; P35-S128 WeakPolarHBondContact CB-O 3.18Å
36V93.4Very high89.7Confident10 Ų1062 Ų626%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-135.8149.7175.567.80000110.3Y28 V30 L38 I127 L158Y28-V36 HydrophobicContact CD1-CG2 3.88Å; Y28-V36 HydrophobicContact CG-CG2 4.31Å; V30-V36 HydrophobicContact CG1-CB 4Å; V30-V36 HydrophobicContact CG1-CG2 3.79Å; V36-L38 HydrophobicContact CG2-CD2 4.02Å; V36-I127 HydrophobicContact CG1-CB 3.87Å; V36-I127 HydrophobicContact CG1-CD1 4.24Å; V36-I127 HydrophobicContact CG1-CG1 4.45Å; V36-I127 PolarHBondContact N-O 2.88Å; V36-I127 PolarHBondContact O-N 3.07Å; V36-I127 VanDerWaalsContact O-O 3.08Å; V36-L158 HydrophobicContact CG1-CD1 4.21Å; V36-L158 HydrophobicContact CG1-CD2 4.22Å; V36-L158 HydrophobicContact CG2-CD1 4.14Å
37T94.6Very high89.3Confident46 Ų4660.7 Ų60.728%0.28232%0.322SS..EExtended strand (participates in β ladder)trans-128.3117.9170.1-58.10000108.3Y28 D124 L125Y28-T37 WeakPolarHBondContact CE1-O 3.44Å; Y28-T37 PolarHBondContact OH-O 3.28Å; T37-D124 HydrophobicContact CG2-CB 3.92Å; T37-L125 CarbonylContact C-O 3.51Å; T37-L125 WeakPolarHBondContact CA-O 3.32Å
38L94.6Very high89.1Confident0 Ų057.5 Ų57.50%032%0.319CS..EExtended strand (participates in β ladder)trans-86.9112.4176.6-49.9-175.7000108.1Y28 V36 W54 D124 L125 Y138 L158Y28-L38 HydrophobicContact CD1-CD2 4.19Å; Y28-L38 HydrophobicContact CD2-CD2 3.46Å; Y28-L38 VanDerWaalsContact CD2-CD2 3.46Å; Y28-L38 HydrophobicContact CE1-CD2 4.46Å; Y28-L38 HydrophobicContact CE2-CB 4.41Å; Y28-L38 HydrophobicContact CE2-CD2 3.78Å; Y28-L38 HydrophobicContact CG-CD2 3.68Å; V36-L38 HydrophobicContact CG2-CD2 4.02Å; L38-W54 HydrophobicContact CB-CH2 3.82Å; L38-W54 HydrophobicContact CB-CZ2 4.37Å; L38-W54 HydrophobicContact CB-CZ3 4.35Å; L38-W54 HydrophobicContact CD1-CZ3 4.35Å; L38-D124 WeakPolarHBondContact O-CA 3.27Å; L38-L125 HydrophobicContact CB-CB 4.33Å; L38-L125 HydrophobicContact CD1-CD2 4.16Å; L38-L125 PolarHBondContact N-O 3.5Å; L38-L125 PolarHBondContact O-N 3.24Å; L38-Y138 HydrophobicContact CD1-CD1 3.64Å; L38-Y138 HydrophobicContact CD1-CD2 3.87Å; L38-Y138 HydrophobicContact CD1-CE1 4.24Å; L38-Y138 HydrophobicContact CD1-CE2 4.46Å; L38-Y138 HydrophobicContact CD1-CG 3.42Å; L38-Y138 VanDerWaalsContact CD1-CG 3.42Å; L38-L158 HydrophobicContact CD2-CD1 4.34Å
39N94.2Very high88.8Confident54 Ų5459.7 Ų59.729%0.28934%0.336SS..  trans-76.6130.2-175.6-67.695000111.1P24 Y28 D124P24-N39 HydrophobicContact CG-CB 3.88Å; Y28-N39 WeakPolarHBondContact OH-CB 3.36Å; Y28-N39 PolarHBondContact OH-N 3.41Å; Y28-N39 PolarHBondContact OH-OD1 3.1Å; N39-D124 VanDerWaalsContact CA-OD1 3.22Å; N39-D124 WeakPolarHBondContact CA-OD1 3.33Å
40C93.8Very high88.9Confident1 Ų156.2 Ų56.21%0.00732%0.316CS..  trans-137.3119.3171.6179.70000109.4V21 W54 A123 D124 C140V21-C40 VanDerWaalsContact CG1-SG 3.57Å; C40-W54 HydrophobicContact CB-CH2 3.95Å; C40-W54 HydrophobicContact CB-CZ2 3.45Å; C40-W54 VanDerWaalsContact CB-CZ2 3.45Å; C40-A123 HydrophobicContact CB-CB 3.92Å; C40-A123 WeakPolarHBondContact O-CB 3.37Å; C40-D124 PolarHBondContact N-OD1 2.8Å; C40-C140 HydrophobicContact CB-CB 3.74Å; C40-C140 WeakPolarHBondContact CB-SG 3.5Å; C40-C140 WeakPolarHBondContact SG-CB 3.35Å; C40-C140 CovalentContact SG-SG 2.04Å; C40-C140 PolarHBondContact SG-SG 3Å
41E92.9Very high89Confident111 Ų11158.9 Ų58.952%0.51933%0.328SS..EExtended strand (participates in β ladder)trans-105.9149.2172.8-66.5-174.5-169.100109.2T22T22-E41 PolarHBondContact N-O 3.48Å; T22-E41 PolarHBondContact O-N 3.14Å; T22-E41 VanDerWaalsContact O-O 3.09Å
42Y90.4Very high89.2Confident37 Ų3755.9 Ų55.915%0.14531%0.314CS..EExtended strand (participates in β ladder)trans-143.1147.4171.866.6-95.8000110.8E20 T44 P50 V52 K122 A123 V142E20-Y42 VanDerWaalsContact O-CA 3.24Å; E20-Y42 WeakPolarHBondContact O-CA 3.33Å; Y42-T44 HydrophobicContact CD2-CG2 4Å; Y42-T44 HydrophobicContact CE2-CG2 3.89Å; Y42-P50 HydrophobicContact CD2-CG 4.2Å; Y42-P50 HydrophobicContact CE2-CG 3.43Å; Y42-P50 VanDerWaalsContact CE2-CG 3.43Å; Y42-V52 HydrophobicContact CD1-CG2 4.35Å; Y42-V52 HydrophobicContact CE1-CG2 3.74Å; Y42-K122 HydrophobicContact CD1-CB 4.44Å; Y42-K122 HydrophobicContact CE1-CB 3.8Å; Y42-A123 HydrophobicContact CD1-CB 3.87Å; Y42-A123 HydrophobicContact CE1-CB 3.92Å; Y42-V142 HydrophobicContact CD1-CG1 4.15Å; Y42-V142 HydrophobicContact CD1-CG2 4.05Å; Y42-V142 HydrophobicContact CD2-CG1 4.24Å; Y42-V142 HydrophobicContact CE1-CG1 4.4Å; Y42-V142 HydrophobicContact CG-CG1 4.06Å; Y42-V142 HydrophobicContact CG-CG2 4.3Å
43T87.9Confident89.5Confident86 Ų8654.9 Ų54.953%0.52831%0.309SS..EExtended strand (participates in β ladder)trans-113.5141.8169.452.20000109.1I19 E20I19-T43 WeakPolarHBondContact CA-O 3.35Å; E20-T43 PolarHBondContact N-O 2.69Å; E20-T43 VanDerWaalsContact N-O 3.17Å; E20-T43 PolarHBondContact O-N 2.86Å
44T85.6Confident89.8Confident47 Ų4748.3 Ų48.329%0.28828%0.281SS..  trans-158.2142.7-178.2-178.50000108.1Y42 A46 P50 D147Y42-T44 HydrophobicContact CD2-CG2 4Å; Y42-T44 HydrophobicContact CE2-CG2 3.89Å; T44-A46 VanDerWaalsContact C-N 3.32Å; T44-A46 HydrophobicContact CG2-CB 4.43Å; T44-A46 VanDerWaalsContact OG1-CB 3.23Å; T44-A46 WeakPolarHBondContact OG1-CB 3.43Å; T44-A46 PolarHBondContact OG1-N 3.01Å; T44-P50 HydrophobicContact CG2-CG 4.31Å; T44-D147 WeakPolarHBondContact CA-OD2 3.43Å; T44-D147 WeakPolarHBondContact CB-OD2 3.37Å; T44-D147 PolarHBondContact OG1-OD2 3.08Å
45S81.5Confident90Very high48 Ų4848 Ų4834%0.33628%0.278SS..  trans-82.4-7.8169.241.10000113.4L17 D147L17-S45 WeakPolarHBondContact CD2-OG 3.46Å; S45-D147 WeakPolarHBondContact CA-OD2 3.46Å; S45-D147 PolarHBondContact N-OD2 2.93Å; S45-D147 VanDerWaalsContact OG-CG 3.23Å; S45-D147 PolarHBondContact OG-OD1 2.87Å; S45-D147 PolarHBondContact OG-OD2 2.87Å
46A79.9Confident90Very high19 Ų1944.3 Ų44.316%0.15725%0.253CS..  trans-62.3133.8-176.300000113.7T44 S144 T146 D147T44-A46 VanDerWaalsContact C-N 3.32Å; T44-A46 HydrophobicContact CG2-CB 4.43Å; T44-A46 VanDerWaalsContact OG1-CB 3.23Å; T44-A46 WeakPolarHBondContact OG1-CB 3.43Å; T44-A46 PolarHBondContact OG1-N 3.01Å; A46-S144 WeakPolarHBondContact CB-OG 3.4Å; A46-T146 WeakPolarHBondContact CA-OG1 3.31Å; A46-T146 WeakPolarHBondContact CB-OG1 3.38Å; A46-D147 PolarHBondContact N-OD2 2.87Å
47T79.6Confident89.8Confident138 Ų13845.1 Ų45.185%0.84726%0.256SS*.SBendtrans-81.7-19.1173.3530000113.3
48V84.9Confident89.5Confident77 Ų7743.9 Ų43.947%0.46725%0.249SC..SBendtrans-93.5132.9173.9179.80000108.3
49P85.4Confident88.9Confident75 Ų7545.2 Ų45.249%0.48725%0.254SS..PPolyproline II helixtrans-61.2127178.624.8-34.1000110.7
50P90.2Very high88Confident11 Ų1144.9 Ų44.97%0.07126%0.255CS..PPolyproline II helixtrans-75.4160.8-177.532.3-37.1000112.1Y42 T44 V142 V143Y42-P50 HydrophobicContact CD2-CG 4.2Å; Y42-P50 HydrophobicContact CE2-CG 3.43Å; Y42-P50 VanDerWaalsContact CE2-CG 3.43Å; T44-P50 HydrophobicContact CG2-CG 4.31Å; P50-V142 HydrophobicContact CB-CG1 3.84Å; P50-V142 HydrophobicContact CG-CG1 3.87Å; P50-V143 WeakPolarHBondContact CA-O 3.47Å; P50-V143 WeakPolarHBondContact CB-O 3.45Å
51I92.1Very high86.9Confident67 Ų6749.3 Ų49.334%0.34427%0.272SS..EExtended strand (participates in β ladder)trans-88.4114.7178.3-58.4176.3000109V100 K101 N102 V142 V143I51-V100 HydrophobicContact CG2-CG1 3.48Å; I51-V100 VanDerWaalsContact CG2-CG1 3.48Å; I51-K101 WeakPolarHBondContact CA-O 3.33Å; I51-N102 HydrophobicContact CG1-CB 4.43Å; I51-V142 WeakPolarHBondContact O-CA 3.49Å; I51-V143 PolarHBondContact N-O 3.05Å; I51-V143 PolarHBondContact O-N 3.02Å
52V93.9Very high85.7Confident1 Ų147.9 Ų47.91%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-90.7125.4174.6177.70000108.6Y42 V100 K101 I119 A123 V142Y42-V52 HydrophobicContact CD1-CG2 4.35Å; Y42-V52 HydrophobicContact CE1-CG2 3.74Å; V52-V100 CarbonylContact O-C 3.55Å; V52-V100 WeakPolarHBondContact O-CA 3.22Å; V52-K101 HydrophobicContact CB-CB 4.3Å; V52-K101 PolarHBondContact N-O 2.83Å; V52-K101 PolarHBondContact O-N 3.44Å; V52-I119 HydrophobicContact CG1-CG2 4.49Å; V52-A123 HydrophobicContact CB-CB 4.32Å; V52-A123 HydrophobicContact CG1-CB 3.52Å; V52-A123 HydrophobicContact CG2-CB 3.83Å; V52-V142 HydrophobicContact CG1-CG2 4.45Å; V52-V142 HydrophobicContact CG2-CG1 4.07Å; V52-V142 HydrophobicContact CG2-CG2 4.18Å
53T94.4Very high84.6Confident22 Ų2247.3 Ų47.314%0.13527%0.269CS..EExtended strand (participates in β ladder)trans-126.9120.2177.8-62.90000110.5K55 T97 V100 T141T53-K55 HydrophobicContact CG2-CG 4.07Å; T53-T97 HydrophobicContact CG2-CG2 4Å; T53-V100 HydrophobicContact CG2-CG2 4.03Å; T53-T141 PolarHBondContact N-O 3.38Å; T53-T141 PolarHBondContact O-N 3.45Å; T53-T141 PolarHBondContact O-OG1 3.4Å
54W94.9Very high83.6Confident0 Ų047.4 Ų47.40%027%0.265CS..EExtended strand (participates in β ladder)trans-93.4125.7172.8-80.396.6000111.3L38 C40 V98 G99 A123 L125 F139 C140L38-W54 HydrophobicContact CB-CH2 3.82Å; L38-W54 HydrophobicContact CB-CZ2 4.37Å; L38-W54 HydrophobicContact CB-CZ3 4.35Å; L38-W54 HydrophobicContact CD1-CZ3 4.35Å; C40-W54 HydrophobicContact CB-CH2 3.95Å; C40-W54 HydrophobicContact CB-CZ2 3.45Å; C40-W54 VanDerWaalsContact CB-CZ2 3.45Å; W54-V98 HydrophobicContact CB-CB 4.2Å; W54-V98 PolarHBondContact O-N 3.24Å; W54-G99 PolarHBondContact N-O 2.97Å; W54-A123 WeakPolarHBondContact CZ2-O 3.34Å; W54-A123 PolarHBondContact NE1-O 2.98Å; W54-L125 HydrophobicContact CB-CD1 4.48Å; W54-L125 HydrophobicContact CB-CD2 4.37Å; W54-L125 HydrophobicContact CD2-CB 3.91Å; W54-L125 HydrophobicContact CD2-CD2 4.1Å; W54-L125 HydrophobicContact CD2-CG 4.5Å; W54-L125 HydrophobicContact CE3-CD2 4.28Å; W54-L125 HydrophobicContact CG-CB 4.15Å; W54-L125 HydrophobicContact CG-CD1 4.25Å; W54-L125 HydrophobicContact CG-CD2 4.17Å; W54-L125 HydrophobicContact CG-CG 4.44Å; W54-L125 HydrophobicContact CH2-CB 4.5Å; W54-L125 HydrophobicContact CZ2-CB 3.85Å; W54-F139 WeakPolarHBondContact CA-O 3.47Å; W54-C140 HydrophobicContact CD2-CB 4.19Å; W54-C140 HydrophobicContact CE3-CB 4.07Å; W54-C140 HydrophobicContact CH2-CB 3.75Å; W54-C140 HydrophobicContact CZ2-CB 3.84Å; W54-C140 HydrophobicContact CZ3-CB 3.84Å
55K93.2Very high82.5Confident70 Ų7050.2 Ų50.230%0.30428%0.275SS..EExtended strand (participates in β ladder)trans-118.5118.7179.3-56.2169.1-170.4155.80109.3T53 R96 F139 T141T53-K55 HydrophobicContact CG2-CG 4.07Å; K55-R96 CarbonylContact C-O 3.54Å; K55-F139 HydrophobicContact CB-CB 4.35Å; K55-F139 PolarHBondContact N-O 2.84Å; K55-F139 PolarHBondContact O-N 2.9Å; K55-T141 HydrophobicContact CD-CG2 4.16Å; K55-T141 VanDerWaalsContact CE-OG1 3.26Å; K55-T141 WeakPolarHBondContact CE-OG1 3.2Å; K55-T141 PolarHBondContact NZ-OG1 2.92Å; K55-T141 VanDerWaalsContact NZ-OG1 3.16Å
56Y92.2Very high81.8Confident11 Ų1149 Ų494%0.04327%0.265CS..EExtended strand (participates in β ladder)trans-79.7136.4168.1170.5-98.6000109.7I95 R96 G133 S135 Y138Y56-I95 WeakPolarHBondContact O-CA 3.28Å; Y56-R96 HydrophobicContact CD1-CB 4.28Å; Y56-R96 HydrophobicContact CD1-CG 4.28Å; Y56-R96 PolarHBondContact N-O 2.77Å; Y56-R96 PolarHBondContact O-N 2.82Å; Y56-G133 PolarHBondContact OH-O 2.91Å; Y56-S135 PolarHBondContact OH-O 3.39Å; Y56-Y138 HydrophobicContact CD2-CD2 4.15Å; Y56-Y138 HydrophobicContact CD2-CE1 4.2Å; Y56-Y138 AromaticContact CD2-CE2 3.58Å; Y56-Y138 HydrophobicContact CD2-CE2 3.58Å; Y56-Y138 AromaticContact CD2-CZ 3.62Å; Y56-Y138 HydrophobicContact CE2-CE2 4.02Å
57K90.1Very high80.8Confident26 Ų2651.9 Ų51.911%0.11329%0.29CS..EExtended strand (participates in β ladder)trans-133.3115.8176.2-84.5-177.8165-167.60107.4D90 I95 V137 F139K57-D90 VanDerWaalsContact CE-OD1 3.23Å; K57-D90 WeakPolarHBondContact CE-OD1 3.28Å; K57-D90 VanDerWaalsContact CE-OD2 3.32Å; K57-D90 WeakPolarHBondContact CE-OD2 3.42Å; K57-D90 IonicContact NZ-OD1 3.23Å; K57-D90 PolarHBondContact NZ-OD1 2.69Å; K57-D90 IonicContact NZ-OD2 2.73Å; K57-D90 PolarHBondContact NZ-OD2 2.88Å; K57-I95 HydrophobicContact CG-CG1 4.15Å; K57-I95 HydrophobicContact CG-CG2 4.1Å; K57-V137 HydrophobicContact CB-CB 4.48Å; K57-V137 PolarHBondContact N-O 3.38Å; K57-V137 PolarHBondContact O-N 2.96Å; K57-F139 HydrophobicContact CB-CD2 4.34Å; K57-F139 HydrophobicContact CB-CE2 4.23Å; K57-F139 HydrophobicContact CD-CD2 3.71Å; K57-F139 HydrophobicContact CD-CE2 3.5Å; K57-F139 HydrophobicContact CD-CG 4.46Å; K57-F139 HydrophobicContact CD-CZ 4.1Å; K57-F139 HydrophobicContact CG-CD2 4.32Å; K57-F139 HydrophobicContact CG-CE2 4.35Å
58S87.5Confident80Confident21 Ų2152.1 Ų52.115%0.14729%0.285CS..EExtended strand (participates in β ladder)trans-62.2160.1178.359.80000112R93 T94S58-R93 WeakPolarHBondContact O-CD 3.15Å; S58-T94 VanDerWaalsContact CB-OG1 3.29Å; S58-T94 WeakPolarHBondContact CB-OG1 3.33Å; S58-T94 PolarHBondContact N-O 3.23Å; S58-T94 VanDerWaalsContact N-O 3.11Å; S58-T94 PolarHBondContact OG-N 3.08Å; S58-T94 PolarHBondContact OG-OG1 3.04Å
59Y81.8Confident78.7Confident28 Ų2851.7 Ų51.711%0.1129%0.285CS..  trans-62.5150.8171.8-64.7-60.7000111.7P63 V85 G136 V137 L158 I159Y59-P63 HydrophobicContact CD2-CG 4.1Å; Y59-P63 HydrophobicContact CE1-CG 4.45Å; Y59-P63 HydrophobicContact CE2-CG 3.94Å; Y59-P63 HydrophobicContact CG-CG 4.42Å; Y59-V85 HydrophobicContact CD1-CG1 3.58Å; Y59-V85 HydrophobicContact CE1-CG1 4.1Å; Y59-V85 HydrophobicContact CG-CG1 4.25Å; Y59-G136 VanDerWaalsContact CE2-CA 3.46Å; Y59-G136 PolarHBondContact OH-O 3.42Å; Y59-V137 HydrophobicContact CD1-CG2 3.93Å; Y59-V137 HydrophobicContact CE1-CG2 3.73Å; Y59-L158 PolarHBondContact OH-O 2.99Å; Y59-I159 WeakPolarHBondContact OH-CG1 3.38Å
60C76.1Confident77.4Confident46 Ų4652 Ų5231%0.31129%0.287SS..SBendtrans-80-32.4174.6-55.10000111.6V85 N86 C88C60-V85 VanDerWaalsContact CB-O 3.24Å; C60-V85 WeakPolarHBondContact CB-O 3.33Å; C60-V85 PolarHBondContact N-O 3.39Å; C60-V85 PolarHBondContact SG-O 2.84Å; C60-N86 PolarHBondContact SG-O 3.48Å; C60-C88 HydrophobicContact CB-CB 3.51Å; C60-C88 WeakPolarHBondContact CB-SG 3.07Å; C60-C88 WeakPolarHBondContact SG-CB 3.21Å; C60-C88 PolarHBondContact SG-N 2.99Å; C60-C88 CovalentContact SG-SG 2.02Å; C60-C88 PolarHBondContact SG-SG 3.26Å
61R70.9Confident75.9Confident95 Ų9553.1 Ų53.136%0.35830%0.295SS..SBendtrans-151.8136.4177.8-166.3174-175.5172.91.6106.9V66 S71 D74R61-V66 HydrophobicContact CB-CG2 4.29Å; R61-V66 HydrophobicContact CG-CG2 3.8Å; R61-S71 PolarHBondContact NH1-OG 2.87Å; R61-S71 PolarHBondContact NH2-OG 3.49Å; R61-D74 IonicContact CZ-OD1 2.91Å; R61-D74 IonicContact CZ-OD2 2.7Å; R61-D74 IonicContact NH1-OD1 3.4Å; R61-D74 PolarHBondContact NH1-OD1 2.76Å; R61-D74 IonicContact NH1-OD2 2.65Å; R61-D74 PolarHBondContact NH1-OD2 2.76Å; R61-D74 IonicContact NH2-OD2 3.05Å
62D66.9Low74.1Confident81 Ų8154.8 Ų54.843%0.43331%0.313SS..  trans-57.9123.5-173.8-74-13.3000111.5I64 Q65 V66D62-I64 PolarHBondContact O-N 3.43Å; D62-Q65 HydrophobicContact CB-CB 3.94Å; D62-Q65 HydrophobicContact CB-CG 3.72Å; D62-Q65 PolarHBondContact O-N 3.26Å; D62-Q65 PolarHBondContact OD2-NE2 3.29Å; D62-V66 PolarHBondContact O-N 3.28Å
63P67.8Low72.4Confident24 Ų2458.5 Ų58.516%0.15634%0.336CS..Hα-helixtrans-59.5-32.7-18020.3-30.6000112.1Y59 V66 A67 V85 I159Y59-P63 HydrophobicContact CD2-CG 4.1Å; Y59-P63 HydrophobicContact CE1-CG 4.45Å; Y59-P63 HydrophobicContact CE2-CG 3.94Å; Y59-P63 HydrophobicContact CG-CG 4.42Å; P63-V66 PolarHBondContact O-N 3.21Å; P63-A67 WeakPolarHBondContact O-CB 3.3Å; P63-A67 PolarHBondContact O-N 2.82Å; P63-V85 HydrophobicContact CB-CG1 3.96Å; P63-V85 HydrophobicContact CB-CG2 4.33Å; P63-V85 HydrophobicContact CG-CG1 4.34Å; P63-I159 HydrophobicContact CG-CD1 4.41Å
64I66.8Low70.7Confident88 Ų8857.8 Ų57.845%0.45133%0.331SS..Hα-helixtrans-68.1-39.5177-59.3174.2000110.9D62 A67 L68 L161D62-I64 PolarHBondContact O-N 3.43Å; I64-A67 PolarHBondContact O-N 3.37Å; I64-L68 HydrophobicContact CG2-CD1 3.78Å; I64-L68 HydrophobicContact CG2-CG 4.43Å; I64-L68 WeakPolarHBondContact O-CB 3.3Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.45Å; I64-L68 PolarHBondContact O-N 2.93Å; I64-L161 HydrophobicContact CD1-CD2 3.98Å
65Q62.6Low69Low107 Ų10760.8 Ų60.850%0.535%0.349SS..Hα-helixtrans-70.6-37.2176.3-65.8-171.243.300112.1D62 S69D62-Q65 HydrophobicContact CB-CB 3.94Å; D62-Q65 HydrophobicContact CB-CG 3.72Å; D62-Q65 PolarHBondContact O-N 3.26Å; D62-Q65 PolarHBondContact OD2-NE2 3.29Å; Q65-S69 CarbonylContact O-C 3.5Å; Q65-S69 WeakPolarHBondContact O-CA 3.22Å; Q65-S69 PolarHBondContact O-N 3.02Å; Q65-S69 PolarHBondContact O-OG 3.49Å
66V65.5Low67.3Low21 Ų2160.1 Ų60.113%0.12736%0.357CS..Hα-helixtrans-68-36.2175.9179.10000111.2R61 D62 P63 S69 P70 D74 V85R61-V66 HydrophobicContact CB-CG2 4.29Å; R61-V66 HydrophobicContact CG-CG2 3.8Å; D62-V66 PolarHBondContact O-N 3.28Å; P63-V66 PolarHBondContact O-N 3.21Å; V66-S69 CarbonylContact O-C 3.59Å; V66-P70 WeakPolarHBondContact O-CA 3.34Å; V66-P70 WeakPolarHBondContact O-CD 3.42Å; V66-D74 HydrophobicContact CG1-CB 4.31Å; V66-V85 HydrophobicContact CB-CG2 4.32Å; V66-V85 HydrophobicContact CG2-CG2 4.16Å
67A60.3Low65.7Low81 Ų8162.6 Ų62.667%0.66937%0.37SS*.Hα-helixtrans-70.8-39.3175.400000113.4P63 I64P63-A67 WeakPolarHBondContact O-CB 3.3Å; P63-A67 PolarHBondContact O-N 2.82Å; I64-A67 PolarHBondContact O-N 3.37Å
68L63Low64.2Low143 Ų14364.6 Ų64.675%0.74939%0.388SS*.Hα-helixtrans-82.3-24.3179.4-68.3172.6000113.6I64I64-L68 HydrophobicContact CG2-CD1 3.78Å; I64-L68 HydrophobicContact CG2-CG 4.43Å; I64-L68 WeakPolarHBondContact O-CB 3.3Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.45Å; I64-L68 PolarHBondContact O-N 2.93Å
69S56.3Low62.9Low68 Ų6871.5 Ų71.548%0.47642%0.417SS..SBendtrans-147.473.3-177.652.60000111.1Q65 V66 S71Q65-S69 CarbonylContact O-C 3.5Å; Q65-S69 WeakPolarHBondContact O-CA 3.22Å; Q65-S69 PolarHBondContact O-N 3.02Å; Q65-S69 PolarHBondContact O-OG 3.49Å; V66-S69 CarbonylContact O-C 3.59Å; S69-S71 PolarHBondContact O-N 3.47Å
70P58.2Low61.9Low82 Ų8273.1 Ų73.153%0.53244%0.437SS..  trans-63.5110.7174.226.3-33.9000109.1V66 T75V66-P70 WeakPolarHBondContact O-CA 3.34Å; V66-P70 WeakPolarHBondContact O-CD 3.42Å; P70-T75 HydrophobicContact CB-CG2 4.42Å
71S60.5Low61.1Low34 Ų3478.5 Ų78.524%0.23846%0.463CS..  trans-78.5154.1175.365.10000110R61 S69 T73 D74 T75R61-S71 PolarHBondContact NH1-OG 2.87Å; R61-S71 PolarHBondContact NH2-OG 3.49Å; S69-S71 PolarHBondContact O-N 3.47Å; S71-T73 PolarHBondContact O-N 3.36Å; S71-T73 PolarHBondContact OG-OG1 3.17Å; S71-D74 WeakPolarHBondContact CB-OD2 3.16Å; S71-D74 PolarHBondContact N-OD2 3.3Å; S71-D74 WeakPolarHBondContact O-CA 3.4Å; S71-D74 WeakPolarHBondContact O-CB 3.48Å; S71-D74 PolarHBondContact O-N 3.32Å; S71-D74 PolarHBondContact OG-OD2 2.86Å; S71-T75 PolarHBondContact O-N 2.89Å
72S53.8Low60.7Low101 Ų10177.3 Ų77.371%0.70646%0.462SS*.Hα-helixtrans-61.9-17.1-173.650.80000114.3T75 A76S72-T75 WeakPolarHBondContact CA-OG1 3.44Å; S72-T75 PolarHBondContact O-OG1 2.92Å; S72-A76 PolarHBondContact O-N 3.5Å
73T56.9Low60.8Low80 Ų8078.3 Ų78.349%0.49147%0.468SS..Hα-helixtrans-74.6-40168.3520000112.3S71 T75 A76 I77S71-T73 PolarHBondContact O-N 3.36Å; S71-T73 PolarHBondContact OG-OG1 3.17Å; T73-T75 VanDerWaalsContact C-N 3.3Å; T73-T75 PolarHBondContact O-N 3.31Å; T73-A76 PolarHBondContact O-N 3Å; T73-A76 VanDerWaalsContact O-N 3.15Å; T73-I77 WeakPolarHBondContact O-CD1 3.13Å; T73-I77 VanDerWaalsContact O-CG1 3.23Å; T73-I77 WeakPolarHBondContact O-CG1 3.32Å; T73-I77 PolarHBondContact O-N 3.45Å
74D59.1Low60.6Low6 Ų678.4 Ų78.43%0.03247%0.468CS..Hα-helixtrans-63.7-37.9178.7-54.1-54.5000111R61 V66 S71 A76 I77 S78 P84R61-D74 IonicContact CZ-OD1 2.91Å; R61-D74 IonicContact CZ-OD2 2.7Å; R61-D74 IonicContact NH1-OD1 3.4Å; R61-D74 PolarHBondContact NH1-OD1 2.76Å; R61-D74 IonicContact NH1-OD2 2.65Å; R61-D74 PolarHBondContact NH1-OD2 2.76Å; R61-D74 IonicContact NH2-OD2 3.05Å; V66-D74 HydrophobicContact CG1-CB 4.31Å; S71-D74 WeakPolarHBondContact CB-OD2 3.16Å; S71-D74 PolarHBondContact N-OD2 3.3Å; S71-D74 WeakPolarHBondContact O-CA 3.4Å; S71-D74 WeakPolarHBondContact O-CB 3.48Å; S71-D74 PolarHBondContact O-N 3.32Å; S71-D74 PolarHBondContact OG-OD2 2.86Å; D74-A76 VanDerWaalsContact C-N 3.33Å; D74-A76 PolarHBondContact O-N 3.45Å; D74-I77 PolarHBondContact O-N 2.95Å; D74-S78 WeakPolarHBondContact O-CB 3.43Å; D74-S78 PolarHBondContact O-N 2.9Å; D74-S78 PolarHBondContact O-OG 3.07Å; D74-P84 HydrophobicContact CB-CG 4.21Å
75T58.7Low60.8Low63 Ų6375.1 Ų75.139%0.38745%0.452SS..Hα-helixtrans-69.4-27.6175.553.40000113.3P70 S71 S72 T73 S78 Q79P70-T75 HydrophobicContact CB-CG2 4.42Å; S71-T75 PolarHBondContact O-N 2.89Å; S72-T75 WeakPolarHBondContact CA-OG1 3.44Å; S72-T75 PolarHBondContact O-OG1 2.92Å; T73-T75 VanDerWaalsContact C-N 3.3Å; T73-T75 PolarHBondContact O-N 3.31Å; T75-S78 PolarHBondContact O-OG 3.43Å; T75-Q79 VanDerWaalsContact O-CD 3.27Å; T75-Q79 WeakPolarHBondContact O-CG 3.29Å; T75-Q79 PolarHBondContact O-N 3.41Å
76A57.4Low61.3Low56 Ų5671.1 Ų71.146%0.46343%0.434SS..Hα-helixtrans-79-31.5172.900000112.1S72 T73 D74S72-A76 PolarHBondContact O-N 3.5Å; T73-A76 PolarHBondContact O-N 3Å; T73-A76 VanDerWaalsContact O-N 3.15Å; D74-A76 VanDerWaalsContact C-N 3.33Å; D74-A76 PolarHBondContact O-N 3.45Å
77I59.2Low61.7Low63 Ų6375.5 Ų75.532%0.32346%0.457SS..Hα-helixtrans-75.5-40.6177.7-65.6161.4000110.7T73 D74 Q79 A80 I82 P84T73-I77 WeakPolarHBondContact O-CD1 3.13Å; T73-I77 VanDerWaalsContact O-CG1 3.23Å; T73-I77 WeakPolarHBondContact O-CG1 3.32Å; T73-I77 PolarHBondContact O-N 3.45Å; D74-I77 PolarHBondContact O-N 2.95Å; I77-Q79 VanDerWaalsContact C-N 3.33Å; I77-Q79 PolarHBondContact O-N 2.86Å; I77-A80 WeakPolarHBondContact O-CB 3.48Å; I77-A80 PolarHBondContact O-N 2.9Å; I77-I82 CarbonylContact C-O 3.58Å; I77-I82 HydrophobicContact CG2-CB 3.87Å; I77-I82 HydrophobicContact CG2-CG2 3.66Å; I77-I82 PolarHBondContact O-N 3.25Å; I77-P84 HydrophobicContact CB-CB 4.38Å; I77-P84 HydrophobicContact CD1-CB 4.37Å; I77-P84 HydrophobicContact CG2-CB 3.96Å; I77-P84 HydrophobicContact CG2-CG 4.46Å
78S59.7Low62.4Low69 Ų6973 Ų7348%0.48343%0.434SS..Hα-helixtrans-67.5-3217564.60000112.9D74 T75 A80 N81D74-S78 WeakPolarHBondContact O-CB 3.43Å; D74-S78 PolarHBondContact O-N 2.9Å; D74-S78 PolarHBondContact O-OG 3.07Å; T75-S78 PolarHBondContact O-OG 3.43Å; S78-A80 PolarHBondContact O-N 3.31Å; S78-N81 PolarHBondContact O-N 3.29Å
79Q58.8Low63Low165 Ų16570 Ų7077%0.77142%0.424SS*.Hα-helixtrans-61-25169.2-79.3169.75.800113.4T75 I77 N81T75-Q79 VanDerWaalsContact O-CD 3.27Å; T75-Q79 WeakPolarHBondContact O-CG 3.29Å; T75-Q79 PolarHBondContact O-N 3.41Å; I77-Q79 VanDerWaalsContact C-N 3.33Å; I77-Q79 PolarHBondContact O-N 2.86Å; Q79-N81 VanDerWaalsContact C-N 3.25Å; Q79-N81 PolarHBondContact O-N 3.32Å
80A60.6Low64Low63 Ų6370.3 Ų70.352%0.52142%0.42SS..THydrogen-bonded Turntrans-83.95.8173.100000113.6I77 S78 I82I77-A80 WeakPolarHBondContact O-CB 3.48Å; I77-A80 PolarHBondContact O-N 2.9Å; S78-A80 PolarHBondContact O-N 3.31Å; A80-I82 VanDerWaalsContact C-N 3.28Å; A80-I82 HydrophobicContact CB-CD1 4.03Å; A80-I82 HydrophobicContact CB-CG1 4.29Å; A80-I82 PolarHBondContact O-N 2.86Å
81N60.4Low64.8Low159 Ų15975.6 Ų75.685%0.8544%0.435SS*.THydrogen-bonded Turntrans56.640.3-172.4-162.823.4000112.8S78 Q79S78-N81 PolarHBondContact O-N 3.29Å; Q79-N81 VanDerWaalsContact C-N 3.25Å; Q79-N81 PolarHBondContact O-N 3.32Å
82I62.8Low65.5Low69 Ų6980.3 Ų80.335%0.35446%0.457SS..  trans-120.1132.1178.3-67.5171.4000108.2I77 A80 P84 N87I77-I82 CarbonylContact C-O 3.58Å; I77-I82 HydrophobicContact CG2-CB 3.87Å; I77-I82 HydrophobicContact CG2-CG2 3.66Å; I77-I82 PolarHBondContact O-N 3.25Å; A80-I82 VanDerWaalsContact C-N 3.28Å; A80-I82 HydrophobicContact CB-CD1 4.03Å; A80-I82 HydrophobicContact CB-CG1 4.29Å; A80-I82 PolarHBondContact O-N 2.86Å; I82-P84 WeakPolarHBondContact O-CD 3.06Å; I82-N87 HydrophobicContact CG2-CB 3.75Å; I82-N87 VanDerWaalsContact CG2-ND2 3.26Å; I82-N87 WeakPolarHBondContact CG2-ND2 3.13Å
83D67.9Low66.7Low102 Ų10276.9 Ų76.955%0.54543%0.429SS..  trans-82.4108177.4-71.6-47.1000111.5V85 N86 N87D83-V85 PolarHBondContact O-N 2.94Å; D83-V85 VanDerWaalsContact O-N 3.15Å; D83-N86 HydrophobicContact CB-CB 4.37Å; D83-N86 PolarHBondContact O-N 3.36Å; D83-N87 WeakPolarHBondContact O-CB 3.17Å; D83-N87 PolarHBondContact O-N 3.4Å
84P64.3Low67.8Low26 Ų2676.2 Ų76.217%0.16943%0.425CS..THydrogen-bonded Turntrans-67-17.2-177.827.9-35.3000113.5D74 I77 I82D74-P84 HydrophobicContact CB-CG 4.21Å; I77-P84 HydrophobicContact CB-CB 4.38Å; I77-P84 HydrophobicContact CD1-CB 4.37Å; I77-P84 HydrophobicContact CG2-CB 3.96Å; I77-P84 HydrophobicContact CG2-CG 4.46Å; I82-P84 WeakPolarHBondContact O-CD 3.06Å
85V71Confident69.3Low19 Ų1979.5 Ų79.512%0.11544%0.441CS..THydrogen-bonded Turntrans-72.4-32.2177.4174.90000112.1Y59 C60 P63 V66 D83Y59-V85 HydrophobicContact CD1-CG1 3.58Å; Y59-V85 HydrophobicContact CE1-CG1 4.1Å; Y59-V85 HydrophobicContact CG-CG1 4.25Å; C60-V85 VanDerWaalsContact CB-O 3.24Å; C60-V85 WeakPolarHBondContact CB-O 3.33Å; C60-V85 PolarHBondContact N-O 3.39Å; C60-V85 PolarHBondContact SG-O 2.84Å; P63-V85 HydrophobicContact CB-CG1 3.96Å; P63-V85 HydrophobicContact CB-CG2 4.33Å; P63-V85 HydrophobicContact CG-CG1 4.34Å; V66-V85 HydrophobicContact CB-CG2 4.32Å; V66-V85 HydrophobicContact CG2-CG2 4.16Å; D83-V85 PolarHBondContact O-N 2.94Å; D83-V85 VanDerWaalsContact O-N 3.15Å
86N73.1Confident70.7Confident23 Ų2381 Ų8112%0.12344%0.44CS..THydrogen-bonded Turntrans-116.9-27.8-167.7-67.1-26.3000113.8C60 D83 C88 R93 V137 E157C60-N86 PolarHBondContact SG-O 3.48Å; D83-N86 HydrophobicContact CB-CB 4.37Å; D83-N86 PolarHBondContact O-N 3.36Å; N86-C88 PolarHBondContact O-N 3.45Å; N86-R93 PolarHBondContact O-NH1 3.1Å; N86-V137 VanDerWaalsContact OD1-CG2 3.22Å; N86-V137 WeakPolarHBondContact OD1-CG2 3.37Å; N86-E157 PolarHBondContact ND2-OE1 3.03Å
87N73.1Confident72.3Confident114 Ų11481.5 Ų81.561%0.6144%0.438SS*.  trans-89.569-173.9-169.653.8000113.1I82 D83I82-N87 HydrophobicContact CG2-CB 3.75Å; I82-N87 VanDerWaalsContact CG2-ND2 3.26Å; I82-N87 WeakPolarHBondContact CG2-ND2 3.13Å; D83-N87 WeakPolarHBondContact O-CB 3.17Å; D83-N87 PolarHBondContact O-N 3.4Å
88C75.4Confident73.9Confident27 Ų2778.5 Ų78.518%0.18242%0.422CS..SBendtrans-117.6154.9165.861.20000110.8C60 N86 R93C60-C88 HydrophobicContact CB-CB 3.51Å; C60-C88 WeakPolarHBondContact CB-SG 3.07Å; C60-C88 WeakPolarHBondContact SG-CB 3.21Å; C60-C88 PolarHBondContact SG-N 2.99Å; C60-C88 CovalentContact SG-SG 2.02Å; C60-C88 PolarHBondContact SG-SG 3.26Å; N86-C88 PolarHBondContact O-N 3.45Å; C88-R93 PolarHBondContact O-NH2 2.61Å
89P75.7Confident75.5Confident81 Ų8175.2 Ų75.253%0.52640%0.399SS..  trans-63.4141.2174.328.5-36.2000111K91 D92P89-K91 PolarHBondContact O-N 3.32Å; P89-D92 WeakPolarHBondContact CG-OD2 3.14Å; P89-D92 PolarHBondContact O-N 2.6Å; P89-D92 VanDerWaalsContact O-N 3.1Å
90D76.4Confident77.1Confident75 Ų7569.6 Ų69.640%0.40138%0.376SS..THydrogen-bonded Turntrans-62.7-2.6-176.2-90-6.4000115.4K57 R93 I95K57-D90 VanDerWaalsContact CE-OD1 3.23Å; K57-D90 WeakPolarHBondContact CE-OD1 3.28Å; K57-D90 VanDerWaalsContact CE-OD2 3.32Å; K57-D90 WeakPolarHBondContact CE-OD2 3.42Å; K57-D90 IonicContact NZ-OD1 3.23Å; K57-D90 PolarHBondContact NZ-OD1 2.69Å; K57-D90 IonicContact NZ-OD2 2.73Å; K57-D90 PolarHBondContact NZ-OD2 2.88Å; D90-R93 IonicContact OD1-CZ 3.15Å; D90-R93 IonicContact OD1-NE 2.61Å; D90-R93 PolarHBondContact OD1-NE 3.19Å; D90-R93 IonicContact OD1-NH2 2.87Å; D90-R93 PolarHBondContact OD1-NH2 2.69Å; D90-I95 HydrophobicContact CB-CD1 3.55Å; D90-I95 VanDerWaalsContact CG-CD1 3.42Å; D90-I95 WeakPolarHBondContact O-CD1 3.32Å
91K75.9Confident78.7Confident193 Ų19367.7 Ų67.784%0.83936%0.356SS*.THydrogen-bonded Turntrans-81.4-30.4173.5-65.7-174.1179.1-179.90113.5P89 R93P89-K91 PolarHBondContact O-N 3.32Å; K91-R93 VanDerWaalsContact C-N 3.26Å; K91-R93 PolarHBondContact O-N 3.45Å
92D74.6Confident80.2Confident133 Ų13364.1 Ų64.171%0.71134%0.337SS*.SBendtrans-938.3-173.1-55.2-20.7000111.4P89P89-D92 WeakPolarHBondContact CG-OD2 3.14Å; P89-D92 PolarHBondContact O-N 2.6Å; P89-D92 VanDerWaalsContact O-N 3.1Å
93R78.9Confident81.3Confident28 Ų2861.9 Ų61.911%0.10633%0.33CS..SBendtrans-128143.7-168.3166.5155.966.6-161.4-7.6111.1S58 N86 C88 D90 K91 I95S58-R93 WeakPolarHBondContact O-CD 3.15Å; N86-R93 PolarHBondContact O-NH1 3.1Å; C88-R93 PolarHBondContact O-NH2 2.61Å; D90-R93 IonicContact OD1-CZ 3.15Å; D90-R93 IonicContact OD1-NE 2.61Å; D90-R93 PolarHBondContact OD1-NE 3.19Å; D90-R93 IonicContact OD1-NH2 2.87Å; D90-R93 PolarHBondContact OD1-NH2 2.69Å; K91-R93 VanDerWaalsContact C-N 3.26Å; K91-R93 PolarHBondContact O-N 3.45Å; R93-I95 HydrophobicContact CG-CG1 4.18Å
94T81.4Confident82.1Confident66 Ų6665 Ų6541%0.40535%0.347SS..  trans-76.2126.8168.168.20000110.2S58S58-T94 VanDerWaalsContact CB-OG1 3.29Å; S58-T94 WeakPolarHBondContact CB-OG1 3.33Å; S58-T94 PolarHBondContact N-O 3.23Å; S58-T94 VanDerWaalsContact N-O 3.11Å; S58-T94 PolarHBondContact OG-N 3.08Å; S58-T94 PolarHBondContact OG-OG1 3.04Å
95I89.3Confident83.2Confident75 Ų7566.8 Ų66.839%0.38536%0.36SS..EExtended strand (participates in β ladder)trans-123.8126.6179-49.7-176.8000108.1Y56 K57 D90 R93Y56-I95 WeakPolarHBondContact O-CA 3.28Å; K57-I95 HydrophobicContact CG-CG1 4.15Å; K57-I95 HydrophobicContact CG-CG2 4.1Å; D90-I95 HydrophobicContact CB-CD1 3.55Å; D90-I95 VanDerWaalsContact CG-CD1 3.42Å; D90-I95 WeakPolarHBondContact O-CD1 3.32Å; R93-I95 HydrophobicContact CG-CG1 4.18Å
96R89.5Confident84.2Confident94 Ų9468.1 Ų68.136%0.35537%0.369SS..EExtended strand (participates in β ladder)trans-138.8130.7-174-55.3170.5-177.2-148.6-6.6109.9K55 Y56 V98 E111 Y112K55-R96 CarbonylContact C-O 3.54Å; Y56-R96 HydrophobicContact CD1-CB 4.28Å; Y56-R96 HydrophobicContact CD1-CG 4.28Å; Y56-R96 PolarHBondContact N-O 2.77Å; Y56-R96 PolarHBondContact O-N 2.82Å; R96-V98 PolarHBondContact O-N 2.96Å; R96-E111 VanDerWaalsContact CD-OE2 3.28Å; R96-E111 WeakPolarHBondContact CD-OE2 3.5Å; R96-E111 IonicContact CZ-OE2 2.7Å; R96-E111 IonicContact NE-OE2 2.71Å; R96-E111 PolarHBondContact NE-OE2 2.91Å; R96-E111 IonicContact NH1-OE2 2.73Å; R96-E111 PolarHBondContact NH1-OE2 3Å; R96-E111 IonicContact NH2-OE2 3.13Å; R96-Y112 HydrophobicContact CB-CE2 3.94Å
97T90.9Very high85.1Confident68 Ų6871.8 Ų71.842%0.41739%0.391SS..EExtended strand (participates in β ladder)trans-74.3119.7170-52.40000108.5T53 V100 G109T53-T97 HydrophobicContact CG2-CG2 4Å; T97-V100 HydrophobicContact CG2-CG2 3.96Å; T97-G109 WeakPolarHBondContact O-CA 3.43Å
98V92Very high86Confident0 Ų068.4 Ų68.40%037%0.373CS..EExtended strand (participates in β ladder)trans-78.7-46.3179.5-173.20000110W54 R96 G109 Y112 I117 L125 Y138W54-V98 HydrophobicContact CB-CB 4.2Å; W54-V98 PolarHBondContact O-N 3.24Å; R96-V98 PolarHBondContact O-N 2.96Å; V98-G109 PolarHBondContact O-N 3.33Å; V98-Y112 HydrophobicContact CB-CD2 4.35Å; V98-Y112 HydrophobicContact CB-CE2 4.37Å; V98-Y112 HydrophobicContact CG1-CD1 4.17Å; V98-Y112 HydrophobicContact CG1-CD2 4.25Å; V98-Y112 HydrophobicContact CG1-CE1 4.44Å; V98-Y112 HydrophobicContact CG1-CE2 4.5Å; V98-Y112 HydrophobicContact CG1-CG 4.07Å; V98-Y112 HydrophobicContact CG2-CE2 4.07Å; V98-I117 HydrophobicContact CG1-CG2 3.93Å; V98-L125 HydrophobicContact CG1-CD1 4.09Å; V98-L125 HydrophobicContact CG1-CD2 4.12Å; V98-Y138 HydrophobicContact CG2-CD1 4.22Å; V98-Y138 HydrophobicContact CG2-CE1 3.94Å
99G93Very high86.6Confident0 Ų067.9 Ų67.90%037%0.372CS..EExtended strand (participates in β ladder)trans-170.1160.2173.700000112.5W54 V107W54-G99 PolarHBondContact N-O 2.97Å; G99-V107 CarbonylContact C-O 3.47Å; G99-V107 VanDerWaalsContact CA-O 3.29Å; G99-V107 WeakPolarHBondContact CA-O 3.3Å
100V93.3Very high87.1Confident47 Ų4773.8 Ų73.829%0.28539%0.389SS..EExtended strand (participates in β ladder)trans-121.2131.2173.3-177.80000107.5I51 V52 T53 T97 V107I51-V100 HydrophobicContact CG2-CG1 3.48Å; I51-V100 VanDerWaalsContact CG2-CG1 3.48Å; V52-V100 CarbonylContact O-C 3.55Å; V52-V100 WeakPolarHBondContact O-CA 3.22Å; T53-V100 HydrophobicContact CG2-CG2 4.03Å; T97-V100 HydrophobicContact CG2-CG2 3.96Å; V100-V107 PolarHBondContact N-O 2.87Å; V100-V107 PolarHBondContact O-N 3.42Å
101K93.2Very high87.4Confident23 Ų2375 Ų7510%0.139%0.393CS..EExtended strand (participates in β ladder)trans-113.9129.6171.6175.2176.3-179.6179.40109.3I51 V52 G103 S105 V106 I119 N121 K122I51-K101 WeakPolarHBondContact CA-O 3.33Å; V52-K101 HydrophobicContact CB-CB 4.3Å; V52-K101 PolarHBondContact N-O 2.83Å; V52-K101 PolarHBondContact O-N 3.44Å; K101-G103 WeakPolarHBondContact CE-O 3.48Å; K101-G103 VanDerWaalsContact CG-O 3.23Å; K101-G103 WeakPolarHBondContact CG-O 3.37Å; K101-S105 CarbonylContact C-O 3.55Å; K101-S105 VanDerWaalsContact CA-O 3.26Å; K101-S105 WeakPolarHBondContact CA-O 3.43Å; K101-V106 HydrophobicContact CB-CG2 4.19Å; K101-V106 HydrophobicContact CD-CG2 4.09Å; K101-V106 HydrophobicContact CG-CG2 4Å; K101-I119 HydrophobicContact CB-CB 4.13Å; K101-I119 HydrophobicContact CB-CD1 3.97Å; K101-I119 HydrophobicContact CB-CG2 3.99Å; K101-I119 HydrophobicContact CD-CB 3.99Å; K101-I119 HydrophobicContact CD-CG2 3.57Å; K101-I119 HydrophobicContact CG-CG2 4.46Å; K101-I119 PolarHBondContact NZ-O 3.47Å; K101-N121 PolarHBondContact NZ-O 2.81Å; K101-K122 WeakPolarHBondContact CE-O 3.41Å; K101-K122 PolarHBondContact NZ-O 3.45Å
102N91.8Very high87.8Confident84 Ų8466.1 Ų66.145%0.44935%0.354SS..EExtended strand (participates in β ladder)trans-130.2104.6-179.4-17815.5000107.9I51 D104 S105I51-N102 HydrophobicContact CG1-CB 4.43Å; N102-D104 PolarHBondContact O-N 2.8Å; N102-S105 PolarHBondContact N-O 2.85Å; N102-S105 PolarHBondContact O-N 3.29Å; N102-S105 VanDerWaalsContact O-N 3.09Å; N102-S105 PolarHBondContact O-OG 3.43Å
103G85.8Confident88.2Confident21 Ų2162.9 Ų62.922%0.21635%0.346CS..THydrogen-bonded Turntrans55.4-129.5-163.300000111.2K101 S105K101-G103 WeakPolarHBondContact CE-O 3.48Å; K101-G103 VanDerWaalsContact CG-O 3.23Å; K101-G103 WeakPolarHBondContact CG-O 3.37Å; G103-S105 VanDerWaalsContact C-N 3.32Å
104D85Confident88.3Confident167 Ų16767 Ų6789%0.89338%0.378SS*.THydrogen-bonded Turntrans-80.1-10.1177.5-54.5-59.2000113.8N102N102-D104 PolarHBondContact O-N 2.8Å
105S88Confident88.5Confident64 Ų6467.6 Ų67.645%0.44837%0.374SS..EExtended strand (participates in β ladder)trans-84.9130.6-178.871.60000111.7K101 N102 G103K101-S105 CarbonylContact C-O 3.55Å; K101-S105 VanDerWaalsContact CA-O 3.26Å; K101-S105 WeakPolarHBondContact CA-O 3.43Å; N102-S105 PolarHBondContact N-O 2.85Å; N102-S105 PolarHBondContact O-N 3.29Å; N102-S105 VanDerWaalsContact O-N 3.09Å; N102-S105 PolarHBondContact O-OG 3.43Å; G103-S105 VanDerWaalsContact C-N 3.32Å
106V91Very high88.4Confident48 Ų4870.6 Ų70.629%0.29138%0.384SS..EExtended strand (participates in β ladder)trans-117.1125.1177.5-178.60000109.5K101 L108 I119K101-V106 HydrophobicContact CB-CG2 4.19Å; K101-V106 HydrophobicContact CD-CG2 4.09Å; K101-V106 HydrophobicContact CG-CG2 4Å; V106-L108 HydrophobicContact CG1-CD2 4.46Å; V106-I119 HydrophobicContact CG1-CB 4.15Å; V106-I119 HydrophobicContact CG1-CD1 4.23Å; V106-I119 HydrophobicContact CG1-CG1 4.1Å; V106-I119 HydrophobicContact CG2-CB 4.21Å
107V92Very high88.5Confident99 Ų9966.7 Ų66.760%0.637%0.37SS*.EExtended strand (participates in β ladder)trans-121110.1179.5-178.10000108.8G99 V100G99-V107 CarbonylContact C-O 3.47Å; G99-V107 VanDerWaalsContact CA-O 3.29Å; G99-V107 WeakPolarHBondContact CA-O 3.3Å; V100-V107 PolarHBondContact N-O 2.87Å; V100-V107 PolarHBondContact O-N 3.42Å
108L91.9Very high88.5Confident44 Ų4466.8 Ų66.823%0.2337%0.368CS..EExtended strand (participates in β ladder)trans-76.1152178.5-62.1173.9000111.8V106 A113 I117V106-L108 HydrophobicContact CG1-CD2 4.46Å; L108-A113 HydrophobicContact CB-CB 4.3Å; L108-I117 WeakPolarHBondContact CD1-O 3.23Å; L108-I117 HydrophobicContact CD2-CB 4.32Å; L108-I117 HydrophobicContact CD2-CG2 4.12Å
109G88.8Confident88.5Confident15 Ų1567 Ų6716%0.15537%0.369CS..  trans-65.9153170.600000111.8T97 V98 E111 Y112 A113T97-G109 WeakPolarHBondContact O-CA 3.43Å; V98-G109 PolarHBondContact O-N 3.33Å; G109-E111 PolarHBondContact O-N 2.9Å; G109-Y112 CarbonylContact O-C 3.57Å; G109-Y112 WeakPolarHBondContact O-CA 3.45Å; G109-Y112 PolarHBondContact O-N 3.4Å; G109-A113 PolarHBondContact O-N 3.47Å
110K85.9Confident88.4Confident205 Ų20569.3 Ų69.389%0.89138%0.381SS*.THydrogen-bonded Turntrans-52.4-34.4-173.5-64.5179.6179.8178.50114.3
111E82.4Confident88.2Confident101 Ų10173 Ų7347%0.47240%0.398SS..THydrogen-bonded Turntrans-81.3-19.2-179.5-59.6177.1-139.700113.7R96 G109R96-E111 VanDerWaalsContact CD-OE2 3.28Å; R96-E111 WeakPolarHBondContact CD-OE2 3.5Å; R96-E111 IonicContact CZ-OE2 2.7Å; R96-E111 IonicContact NE-OE2 2.71Å; R96-E111 PolarHBondContact NE-OE2 2.91Å; R96-E111 IonicContact NH1-OE2 2.73Å; R96-E111 PolarHBondContact NH1-OE2 3Å; R96-E111 IonicContact NH2-OE2 3.13Å; G109-E111 PolarHBondContact O-N 2.9Å
112Y84.3Confident87.9Confident7 Ų777.9 Ų77.93%0.02742%0.42CS..THydrogen-bonded Turntrans-108.4-11.4-177.4-59.4-81.5000112.5R96 V98 G109 S114 R115 I117R96-Y112 HydrophobicContact CB-CE2 3.94Å; V98-Y112 HydrophobicContact CB-CD2 4.35Å; V98-Y112 HydrophobicContact CB-CE2 4.37Å; V98-Y112 HydrophobicContact CG1-CD1 4.17Å; V98-Y112 HydrophobicContact CG1-CD2 4.25Å; V98-Y112 HydrophobicContact CG1-CE1 4.44Å; V98-Y112 HydrophobicContact CG1-CE2 4.5Å; V98-Y112 HydrophobicContact CG1-CG 4.07Å; V98-Y112 HydrophobicContact CG2-CE2 4.07Å; G109-Y112 CarbonylContact O-C 3.57Å; G109-Y112 WeakPolarHBondContact O-CA 3.45Å; G109-Y112 PolarHBondContact O-N 3.4Å; Y112-S114 PolarHBondContact O-N 2.93Å; Y112-R115 WeakPolarHBondContact O-CA 3.28Å; Y112-R115 WeakPolarHBondContact O-CB 3.37Å; Y112-R115 PolarHBondContact O-N 3.32Å; Y112-I117 HydrophobicContact CD1-CD1 3.56Å; Y112-I117 HydrophobicContact CE1-CD1 4.39Å; Y112-I117 HydrophobicContact CG-CD1 4.3Å
113A83.5Confident87.9Confident65 Ų6573.9 Ų73.954%0.53740%0.398SS..THydrogen-bonded Turntrans-63.8-19.6-179.800000114.7L108 G109L108-A113 HydrophobicContact CB-CB 4.3Å; G109-A113 PolarHBondContact O-N 3.47Å
114S80.9Confident88.2Confident113 Ų11373.5 Ų73.579%0.7939%0.391SS*.THydrogen-bonded Turntrans-95.33.5171.456.80000113.7Y112Y112-S114 PolarHBondContact O-N 2.93Å
115R85.2Confident88.7Confident80 Ų8065.5 Ų65.530%0.30235%0.349SS..SBendtrans-106.3154.5179.7-61.2178.3174.9-114-19110.6Y112 I117 Q131 E134Y112-R115 WeakPolarHBondContact O-CA 3.28Å; Y112-R115 WeakPolarHBondContact O-CB 3.37Å; Y112-R115 PolarHBondContact O-N 3.32Å; R115-I117 VanDerWaalsContact C-N 3.26Å; R115-I117 HydrophobicContact CB-CD1 3.88Å; R115-I117 HydrophobicContact CB-CG1 4.06Å; R115-I117 PolarHBondContact O-N 2.87Å; R115-Q131 VanDerWaalsContact CZ-OE1 3.23Å; R115-Q131 VanDerWaalsContact NH1-CD 3.32Å; R115-E134 IonicContact CZ-OE1 3.38Å; R115-E134 IonicContact NE-OE1 3.51Å; R115-E134 IonicContact NH1-OE1 2.97Å; R115-E134 PolarHBondContact NH1-OE1 2.88Å; R115-E134 IonicContact NH1-OE2 3.3Å
116K87.8Confident88.9Confident137 Ų13766.2 Ų66.260%0.59635%0.345SS*.SBendtrans-79.572174.8-60.3169.8-170.4160.50110.5S128 D129K116-S128 WeakPolarHBondContact CB-OG 3.42Å; K116-S128 WeakPolarHBondContact CD-OG 3.49Å; K116-S128 PolarHBondContact O-N 2.86Å; K116-S128 VanDerWaalsContact O-N 3.1Å; K116-D129 IonicContact NZ-OD1 2.76Å; K116-D129 PolarHBondContact NZ-OD1 2.65Å; K116-D129 IonicContact NZ-OD2 3.64Å; K116-D129 PolarHBondContact NZ-OD2 3.27Å
117I91.1Very high89.1Confident13 Ų1364 Ų647%0.06733%0.332CS..EExtended strand (participates in β ladder)trans-124.4141.9-179.9-63.6173.2000108.3V98 L108 Y112 R115 L125 Q126 I127V98-I117 HydrophobicContact CG1-CG2 3.93Å; L108-I117 WeakPolarHBondContact CD1-O 3.23Å; L108-I117 HydrophobicContact CD2-CB 4.32Å; L108-I117 HydrophobicContact CD2-CG2 4.12Å; Y112-I117 HydrophobicContact CD1-CD1 3.56Å; Y112-I117 HydrophobicContact CE1-CD1 4.39Å; Y112-I117 HydrophobicContact CG-CD1 4.3Å; R115-I117 VanDerWaalsContact C-N 3.26Å; R115-I117 HydrophobicContact CB-CD1 3.88Å; R115-I117 HydrophobicContact CB-CG1 4.06Å; R115-I117 PolarHBondContact O-N 2.87Å; I117-L125 HydrophobicContact CG2-CD1 3.7Å; I117-L125 HydrophobicContact CG2-CG 4.42Å; I117-Q126 CarbonylContact C-O 3.52Å; I117-Q126 VanDerWaalsContact CA-O 3.3Å; I117-Q126 WeakPolarHBondContact CA-O 3.33Å; I117-I127 HydrophobicContact CD1-CG1 4.38Å; I117-I127 HydrophobicContact CD1-CG2 4.37Å; I117-I127 HydrophobicContact CG1-CB 4.34Å; I117-I127 HydrophobicContact CG1-CG1 4.14Å; I117-I127 HydrophobicContact CG1-CG2 4.11Å; I117-I127 HydrophobicContact CG2-CG1 4.32Å
118N91.7Very high89Confident69 Ų6960.7 Ų60.737%0.36931%0.313SS..EExtended strand (participates in β ladder)trans-150.6158.3-176.6-164.99.9000111.8I120 Q126N118-I120 HydrophobicContact CB-CD1 4.38Å; N118-I120 HydrophobicContact CB-CG1 4.15Å; N118-Q126 PolarHBondContact N-O 2.92Å; N118-Q126 PolarHBondContact O-N 3.37Å
119I92.8Very high89Confident4 Ų461.4 Ų61.42%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-113.598.6176-53.9172.2000109.3V52 K101 V106 D124 L125V52-I119 HydrophobicContact CG1-CG2 4.49Å; K101-I119 HydrophobicContact CB-CB 4.13Å; K101-I119 HydrophobicContact CB-CD1 3.97Å; K101-I119 HydrophobicContact CB-CG2 3.99Å; K101-I119 HydrophobicContact CD-CB 3.99Å; K101-I119 HydrophobicContact CD-CG2 3.57Å; K101-I119 HydrophobicContact CG-CG2 4.46Å; K101-I119 PolarHBondContact NZ-O 3.47Å; V106-I119 HydrophobicContact CG1-CB 4.15Å; V106-I119 HydrophobicContact CG1-CD1 4.23Å; V106-I119 HydrophobicContact CG1-CG1 4.1Å; V106-I119 HydrophobicContact CG2-CB 4.21Å; I119-D124 CarbonylContact C-O 3.58Å; I119-D124 WeakPolarHBondContact CA-O 3.37Å; I119-L125 HydrophobicContact CG1-CD1 3.92Å
120I90.1Very high89Confident50 Ų5060.7 Ų60.726%0.25631%0.31SS..EExtended strand (participates in β ladder)trans-95.8171.9-168.5-56.5-176000109.9N118 K122 D124 Q126N118-I120 HydrophobicContact CB-CD1 4.38Å; N118-I120 HydrophobicContact CB-CG1 4.15Å; I120-K122 CarbonylContact O-C 3.5Å; I120-K122 PolarHBondContact O-N 3.04Å; I120-D124 PolarHBondContact N-O 3.16Å; I120-D124 PolarHBondContact O-N 3.01Å; I120-D124 VanDerWaalsContact O-N 3.16Å; I120-Q126 HydrophobicContact CD1-CB 3.72Å; I120-Q126 HydrophobicContact CD1-CG 4.24Å; I120-Q126 HydrophobicContact CG1-CB 4.3Å
121N89Confident89.1Confident123 Ų12354 Ų5466%0.65828%0.282SS*.THydrogen-bonded Turntrans51.6-121.9178-59.2-29.2000111.9K101 D124K101-N121 PolarHBondContact NZ-O 2.81Å; N121-D124 WeakPolarHBondContact CB-OD2 3.25Å; N121-D124 PolarHBondContact ND2-OD2 3.44Å
122K86.1Confident88.8Confident126 Ų12656.5 Ų56.555%0.54829%0.287SS..THydrogen-bonded Turntrans-81.3-72.8168.4-66.6-179.3179.2178.80110Y42 K101 I120Y42-K122 HydrophobicContact CD1-CB 4.44Å; Y42-K122 HydrophobicContact CE1-CB 3.8Å; K101-K122 WeakPolarHBondContact CE-O 3.41Å; K101-K122 PolarHBondContact NZ-O 3.45Å; I120-K122 CarbonylContact O-C 3.5Å; I120-K122 PolarHBondContact O-N 3.04Å
123A91.6Very high88.7Confident0 Ų058.4 Ų58.40%031%0.309CS..THydrogen-bonded Turntrans-130.810.9-173.600000114.6C40 Y42 V52 W54 L125C40-A123 HydrophobicContact CB-CB 3.92Å; C40-A123 WeakPolarHBondContact O-CB 3.37Å; Y42-A123 HydrophobicContact CD1-CB 3.87Å; Y42-A123 HydrophobicContact CE1-CB 3.92Å; V52-A123 HydrophobicContact CB-CB 4.32Å; V52-A123 HydrophobicContact CG1-CB 3.52Å; V52-A123 HydrophobicContact CG2-CB 3.83Å; W54-A123 WeakPolarHBondContact CZ2-O 3.34Å; W54-A123 PolarHBondContact NE1-O 2.98Å; A123-L125 PolarHBondContact O-N 3.12Å
124D94.1Very high88.8Confident13 Ų1355.5 Ų55.57%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-71.2126.1-173.2-60.9-42.2000112.2T37 L38 N39 C40 I119 I120 N121T37-D124 HydrophobicContact CG2-CB 3.92Å; L38-D124 WeakPolarHBondContact O-CA 3.27Å; N39-D124 VanDerWaalsContact CA-OD1 3.22Å; N39-D124 WeakPolarHBondContact CA-OD1 3.33Å; C40-D124 PolarHBondContact N-OD1 2.8Å; I119-D124 CarbonylContact C-O 3.58Å; I119-D124 WeakPolarHBondContact CA-O 3.37Å; I120-D124 PolarHBondContact N-O 3.16Å; I120-D124 PolarHBondContact O-N 3.01Å; I120-D124 VanDerWaalsContact O-N 3.16Å; N121-D124 WeakPolarHBondContact CB-OD2 3.25Å; N121-D124 PolarHBondContact ND2-OD2 3.44Å
125L93.6Very high89.1Confident0 Ų052.1 Ų52.10%026%0.26CS..EExtended strand (participates in β ladder)trans-90.5108.5178.3-176.873.3000110.7T37 L38 W54 V98 I117 I119 A123 I127 Y138T37-L125 CarbonylContact C-O 3.51Å; T37-L125 WeakPolarHBondContact CA-O 3.32Å; L38-L125 HydrophobicContact CB-CB 4.33Å; L38-L125 HydrophobicContact CD1-CD2 4.16Å; L38-L125 PolarHBondContact N-O 3.5Å; L38-L125 PolarHBondContact O-N 3.24Å; W54-L125 HydrophobicContact CB-CD1 4.48Å; W54-L125 HydrophobicContact CB-CD2 4.37Å; W54-L125 HydrophobicContact CD2-CB 3.91Å; W54-L125 HydrophobicContact CD2-CD2 4.1Å; W54-L125 HydrophobicContact CD2-CG 4.5Å; W54-L125 HydrophobicContact CE3-CD2 4.28Å; W54-L125 HydrophobicContact CG-CB 4.15Å; W54-L125 HydrophobicContact CG-CD1 4.25Å; W54-L125 HydrophobicContact CG-CD2 4.17Å; W54-L125 HydrophobicContact CG-CG 4.44Å; W54-L125 HydrophobicContact CH2-CB 4.5Å; W54-L125 HydrophobicContact CZ2-CB 3.85Å; V98-L125 HydrophobicContact CG1-CD1 4.09Å; V98-L125 HydrophobicContact CG1-CD2 4.12Å; I117-L125 HydrophobicContact CG2-CD1 3.7Å; I117-L125 HydrophobicContact CG2-CG 4.42Å; I119-L125 HydrophobicContact CG1-CD1 3.92Å; A123-L125 PolarHBondContact O-N 3.12Å; L125-I127 HydrophobicContact CD2-CD1 4.26Å; L125-I127 HydrophobicContact CD2-CG1 4.4Å; L125-I127 HydrophobicContact CG-CG1 4.35Å; L125-Y138 HydrophobicContact CD2-CD1 3.65Å; L125-Y138 HydrophobicContact CD2-CE1 3.82Å
126Q94.1Very high89.3Confident79 Ų7948.3 Ų48.337%0.36925%0.246SC..EExtended strand (participates in β ladder)trans-89.4130.7171.2-178.6173.489.400110.8I117 N118 I120I117-Q126 CarbonylContact C-O 3.52Å; I117-Q126 VanDerWaalsContact CA-O 3.3Å; I117-Q126 WeakPolarHBondContact CA-O 3.33Å; N118-Q126 PolarHBondContact N-O 2.92Å; N118-Q126 PolarHBondContact O-N 3.37Å; I120-Q126 HydrophobicContact CD1-CB 3.72Å; I120-Q126 HydrophobicContact CD1-CG 4.24Å; I120-Q126 HydrophobicContact CG1-CB 4.3Å
127I93.6Very high89.4Confident2 Ų241.9 Ų41.91%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-122.5114.3171-56.8170000105.9P35 V36 I117 L125 Y138 L158P35-I127 WeakPolarHBondContact CA-O 3.37Å; V36-I127 HydrophobicContact CG1-CB 3.87Å; V36-I127 HydrophobicContact CG1-CD1 4.24Å; V36-I127 HydrophobicContact CG1-CG1 4.45Å; V36-I127 PolarHBondContact N-O 2.88Å; V36-I127 PolarHBondContact O-N 3.07Å; V36-I127 VanDerWaalsContact O-O 3.08Å; I117-I127 HydrophobicContact CD1-CG1 4.38Å; I117-I127 HydrophobicContact CD1-CG2 4.37Å; I117-I127 HydrophobicContact CG1-CB 4.34Å; I117-I127 HydrophobicContact CG1-CG1 4.14Å; I117-I127 HydrophobicContact CG1-CG2 4.11Å; I117-I127 HydrophobicContact CG2-CG1 4.32Å; L125-I127 HydrophobicContact CD2-CD1 4.26Å; L125-I127 HydrophobicContact CD2-CG1 4.4Å; L125-I127 HydrophobicContact CG-CG1 4.35Å; I127-Y138 HydrophobicContact CD1-CE1 4.06Å; I127-L158 HydrophobicContact CD1-CD2 4.01Å
128S91.3Very high89.5Confident29 Ų2941.3 Ų41.320%0.20322%0.215CC..SBendtrans-81-27.7-172.877.10000114.6P35 K116P35-S128 WeakPolarHBondContact CA-O 3.46Å; P35-S128 WeakPolarHBondContact CB-O 3.18Å; K116-S128 WeakPolarHBondContact CB-OG 3.42Å; K116-S128 WeakPolarHBondContact CD-OG 3.49Å; K116-S128 PolarHBondContact O-N 2.86Å; K116-S128 VanDerWaalsContact O-N 3.1Å
129D90.9Very high89.6Confident59 Ų5939.5 Ų39.532%0.31620%0.204SC..SBendtrans-132.774.8-170.5-58.416.4000109K116 Q131K116-D129 IonicContact NZ-OD1 2.76Å; K116-D129 PolarHBondContact NZ-OD1 2.65Å; K116-D129 IonicContact NZ-OD2 3.64Å; K116-D129 PolarHBondContact NZ-OD2 3.27Å; D129-Q131 VanDerWaalsContact O-CG 3.29Å; D129-Q131 WeakPolarHBondContact O-CG 3.29Å; D129-Q131 PolarHBondContact O-N 3.05Å
130A90.1Very high89.7Confident0 Ų039.3 Ų39.30%020%0.203CC..  trans-60.2130.4-172.900000113.4V30 F33 Q34 V160V30-A130 HydrophobicContact CG2-CB 4.07Å; F33-A130 PolarHBondContact N-O 2.73Å; Q34-A130 VanDerWaalsContact O-CB 3.23Å; Q34-A130 WeakPolarHBondContact O-CB 3.36Å; Q34-A130 PolarHBondContact O-N 3.42Å; Q34-A130 VanDerWaalsContact O-N 3.16Å; A130-V160 HydrophobicContact CB-CG2 4.27Å
131Q87.9Confident89.8Confident65 Ų6537.2 Ų37.230%0.30419%0.193SC..  trans-115.1157.2-172.6-58.6-166-6.400114.9R115 D129 G133 E134R115-Q131 VanDerWaalsContact CZ-OE1 3.23Å; R115-Q131 VanDerWaalsContact NH1-CD 3.32Å; D129-Q131 VanDerWaalsContact O-CG 3.29Å; D129-Q131 WeakPolarHBondContact O-CG 3.29Å; D129-Q131 PolarHBondContact O-N 3.05Å; Q131-G133 PolarHBondContact O-N 3.17Å; Q131-E134 HydrophobicContact CB-CG 4.4Å; Q131-E134 PolarHBondContact N-OE2 3.24Å; Q131-E134 WeakPolarHBondContact O-CB 3.42Å; Q131-E134 PolarHBondContact O-N 3.19Å
132W75.8Confident90Very high152 Ų15231.4 Ų31.458%0.57616%0.162SC*.THydrogen-bonded Turntrans-48.8124.3160.2-67113.2000110.9L32 E162L32-W132 HydrophobicContact CD1-CB 4.49Å; L32-W132 HydrophobicContact CD1-CD2 4.24Å; L32-W132 HydrophobicContact CD1-CG 3.77Å; L32-W132 VanDerWaalsContact CD2-NE1 3.3Å; W132-E162 HydrophobicContact CH2-CB 3.5Å; W132-E162 VanDerWaalsContact CH2-CB 3.5Å; W132-E162 HydrophobicContact CH2-CG 3.72Å; W132-E162 HydrophobicContact CZ2-CB 3.85Å; W132-E162 HydrophobicContact CZ2-CG 3.64Å; W132-E162 WeakPolarHBondContact CZ2-OE1 3.29Å; W132-E162 HydrophobicContact CZ3-CB 4.35Å
133G81.1Confident90.1Very high48 Ų4829.3 Ų29.350%0.49516%0.159SC..THydrogen-bonded Turntrans90.4-0.2-176.800000115.6Y56 Q131 S135Y56-G133 PolarHBondContact OH-O 2.91Å; Q131-G133 PolarHBondContact O-N 3.17Å; G133-S135 VanDerWaalsContact C-N 3.33Å
134E85.9Confident90Very high4 Ų429.7 Ų29.72%0.01916%0.162CC..  trans-91.62.5163.2-66.8-179.5150.500112.2R115 Q131 G136 Y138R115-E134 IonicContact CZ-OE1 3.38Å; R115-E134 IonicContact NE-OE1 3.51Å; R115-E134 IonicContact NH1-OE1 2.97Å; R115-E134 PolarHBondContact NH1-OE1 2.88Å; R115-E134 IonicContact NH1-OE2 3.3Å; Q131-E134 HydrophobicContact CB-CG 4.4Å; Q131-E134 PolarHBondContact N-OE2 3.24Å; Q131-E134 WeakPolarHBondContact O-CB 3.42Å; Q131-E134 PolarHBondContact O-N 3.19Å; E134-G136 PolarHBondContact O-N 2.74Å; E134-Y138 WeakPolarHBondContact O-CE2 3.41Å; E134-Y138 PolarHBondContact O-OH 2.98Å
135S87.6Confident89.4Confident42 Ų4233.2 Ų33.229%0.29419%0.188SC..  trans-72.4111.5172.954.70000111.6Y56 G133 L158Y56-S135 PolarHBondContact OH-O 3.39Å; G133-S135 VanDerWaalsContact C-N 3.33Å; S135-L158 CarbonylContact C-O 3.57Å; S135-L158 VanDerWaalsContact CA-O 3.25Å; S135-L158 WeakPolarHBondContact CA-O 3.42Å
136G88.8Confident88.9Confident0 Ų036.6 Ų36.60%021%0.208CC..EExtended strand (participates in β ladder)trans177.9-165.7-176.800000113.7Y59 E134 L158Y59-G136 VanDerWaalsContact CE2-CA 3.46Å; Y59-G136 PolarHBondContact OH-O 3.42Å; E134-G136 PolarHBondContact O-N 2.74Å; G136-L158 PolarHBondContact N-O 3.48Å; G136-L158 PolarHBondContact O-N 3.49Å
137V90.8Very high88.2Confident2 Ų233 Ų331%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-101125.2178.4-165.40000109.7K57 Y59 N86 F139 F155 T156K57-V137 HydrophobicContact CB-CB 4.48Å; K57-V137 PolarHBondContact N-O 3.38Å; K57-V137 PolarHBondContact O-N 2.96Å; Y59-V137 HydrophobicContact CD1-CG2 3.93Å; Y59-V137 HydrophobicContact CE1-CG2 3.73Å; N86-V137 VanDerWaalsContact OD1-CG2 3.22Å; N86-V137 WeakPolarHBondContact OD1-CG2 3.37Å; V137-F139 HydrophobicContact CB-CD2 4.45Å; V137-F139 HydrophobicContact CB-CE2 3.96Å; V137-F139 HydrophobicContact CG1-CD2 3.91Å; V137-F139 HydrophobicContact CG1-CE2 3.39Å; V137-F139 HydrophobicContact CG1-CZ 4.22Å; V137-F155 HydrophobicContact CG1-CB 3.79Å; V137-F155 HydrophobicContact CG1-CD2 3.88Å; V137-F155 HydrophobicContact CG1-CG 4.19Å; V137-T156 CarbonylContact C-O 3.57Å; V137-T156 WeakPolarHBondContact CA-O 3.26Å
138Y93.1Very high87.3Confident0 Ų039.6 Ų39.60%023%0.226CC..EExtended strand (participates in β ladder)trans-105.8117.3179.4-75.3-106.9000109.4L38 Y56 V98 L125 I127 E134 F155 T156 L158L38-Y138 HydrophobicContact CD1-CD1 3.64Å; L38-Y138 HydrophobicContact CD1-CD2 3.87Å; L38-Y138 HydrophobicContact CD1-CE1 4.24Å; L38-Y138 HydrophobicContact CD1-CE2 4.46Å; L38-Y138 HydrophobicContact CD1-CG 3.42Å; L38-Y138 VanDerWaalsContact CD1-CG 3.42Å; Y56-Y138 HydrophobicContact CD2-CD2 4.15Å; Y56-Y138 HydrophobicContact CD2-CE1 4.2Å; Y56-Y138 AromaticContact CD2-CE2 3.58Å; Y56-Y138 HydrophobicContact CD2-CE2 3.58Å; Y56-Y138 AromaticContact CD2-CZ 3.62Å; Y56-Y138 HydrophobicContact CE2-CE2 4.02Å; V98-Y138 HydrophobicContact CG2-CD1 4.22Å; V98-Y138 HydrophobicContact CG2-CE1 3.94Å; L125-Y138 HydrophobicContact CD2-CD1 3.65Å; L125-Y138 HydrophobicContact CD2-CE1 3.82Å; I127-Y138 HydrophobicContact CD1-CE1 4.06Å; E134-Y138 WeakPolarHBondContact O-CE2 3.41Å; E134-Y138 PolarHBondContact O-OH 2.98Å; Y138-F155 CarbonylContact O-C 3.5Å; Y138-F155 WeakPolarHBondContact O-CA 2.99Å; Y138-T156 PolarHBondContact N-O 2.95Å; Y138-T156 PolarHBondContact O-N 3.19Å; Y138-T156 PolarHBondContact O-OG1 2.94Å; Y138-L158 HydrophobicContact CD2-CB 3.88Å; Y138-L158 HydrophobicContact CE2-CB 3.73Å; Y138-L158 HydrophobicContact CE2-CD2 3.74Å; Y138-L158 HydrophobicContact CE2-CG 4.33Å
139F92.8Very high86.5Confident32 Ų3241.3 Ų41.314%0.1424%0.238CC..EExtended strand (participates in β ladder)trans-97.5116.1177.6-75-113.4000109.4W54 K55 K57 V137 T141 K154 F155W54-F139 WeakPolarHBondContact CA-O 3.47Å; K55-F139 HydrophobicContact CB-CB 4.35Å; K55-F139 PolarHBondContact N-O 2.84Å; K55-F139 PolarHBondContact O-N 2.9Å; K57-F139 HydrophobicContact CB-CD2 4.34Å; K57-F139 HydrophobicContact CB-CE2 4.23Å; K57-F139 HydrophobicContact CD-CD2 3.71Å; K57-F139 HydrophobicContact CD-CE2 3.5Å; K57-F139 HydrophobicContact CD-CG 4.46Å; K57-F139 HydrophobicContact CD-CZ 4.1Å; K57-F139 HydrophobicContact CG-CD2 4.32Å; K57-F139 HydrophobicContact CG-CE2 4.35Å; V137-F139 HydrophobicContact CB-CD2 4.45Å; V137-F139 HydrophobicContact CB-CE2 3.96Å; V137-F139 HydrophobicContact CG1-CD2 3.91Å; V137-F139 HydrophobicContact CG1-CE2 3.39Å; V137-F139 HydrophobicContact CG1-CZ 4.22Å; F139-T141 HydrophobicContact CB-CG2 4.23Å; F139-K154 CarbonylContact C-O 3.56Å; F139-K154 WeakPolarHBondContact CA-O 3.45Å; F139-F155 HydrophobicContact CD1-CB 4.03Å; F139-F155 HydrophobicContact CD2-CB 4.09Å; F139-F155 HydrophobicContact CE1-CB 3.89Å; F139-F155 HydrophobicContact CE2-CB 3.96Å; F139-F155 HydrophobicContact CG-CB 4.12Å; F139-F155 HydrophobicContact CZ-CB 3.85Å; F139-F155 HydrophobicContact CZ-CG 4.48Å
140C94.6Very high85.8Confident0 Ų041.1 Ų41.10%025%0.249CC..EExtended strand (participates in β ladder)trans-81.1116.5164.2-171.40000107.7V21 C40 W54 E153 K154V21-C140 HydrophobicContact CG1-CB 4.31Å; C40-C140 HydrophobicContact CB-CB 3.74Å; C40-C140 WeakPolarHBondContact CB-SG 3.5Å; C40-C140 WeakPolarHBondContact SG-CB 3.35Å; C40-C140 CovalentContact SG-SG 2.04Å; C40-C140 PolarHBondContact SG-SG 3Å; W54-C140 HydrophobicContact CD2-CB 4.19Å; W54-C140 HydrophobicContact CE3-CB 4.07Å; W54-C140 HydrophobicContact CH2-CB 3.75Å; W54-C140 HydrophobicContact CZ2-CB 3.84Å; W54-C140 HydrophobicContact CZ3-CB 3.84Å; C140-E153 WeakPolarHBondContact O-CA 3.41Å; C140-K154 PolarHBondContact N-O 2.7Å; C140-K154 PolarHBondContact O-N 3.26Å
141T93.1Very high85.6Confident6 Ų644.4 Ų44.44%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-122123.517863.10000108.9T53 K55 F139 N152 E153T53-T141 PolarHBondContact N-O 3.38Å; T53-T141 PolarHBondContact O-N 3.45Å; T53-T141 PolarHBondContact O-OG1 3.4Å; K55-T141 HydrophobicContact CD-CG2 4.16Å; K55-T141 VanDerWaalsContact CE-OG1 3.26Å; K55-T141 WeakPolarHBondContact CE-OG1 3.2Å; K55-T141 PolarHBondContact NZ-OG1 2.92Å; K55-T141 VanDerWaalsContact NZ-OG1 3.16Å; F139-T141 HydrophobicContact CB-CG2 4.23Å; T141-N152 WeakPolarHBondContact CA-O 2.98Å; T141-E153 HydrophobicContact CG2-CB 3.6Å
142V92.4Very high85.7Confident1 Ų144.6 Ų44.61%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-121123.6-173.4-1700000109.3I19 V21 Y42 P50 I51 V52 N152I19-V142 HydrophobicContact CD1-CB 4.04Å; I19-V142 HydrophobicContact CD1-CG1 3.76Å; V21-V142 HydrophobicContact CG1-CG2 4.3Å; V21-V142 HydrophobicContact CG2-CB 3.76Å; V21-V142 HydrophobicContact CG2-CG2 3.66Å; Y42-V142 HydrophobicContact CD1-CG1 4.15Å; Y42-V142 HydrophobicContact CD1-CG2 4.05Å; Y42-V142 HydrophobicContact CD2-CG1 4.24Å; Y42-V142 HydrophobicContact CE1-CG1 4.4Å; Y42-V142 HydrophobicContact CG-CG1 4.06Å; Y42-V142 HydrophobicContact CG-CG2 4.3Å; P50-V142 HydrophobicContact CB-CG1 3.84Å; P50-V142 HydrophobicContact CG-CG1 3.87Å; I51-V142 WeakPolarHBondContact O-CA 3.49Å; V52-V142 HydrophobicContact CG1-CG2 4.45Å; V52-V142 HydrophobicContact CG2-CG1 4.07Å; V52-V142 HydrophobicContact CG2-CG2 4.18Å; V142-N152 PolarHBondContact N-O 3.1Å; V142-N152 WeakPolarHBondContact O-CB 3.23Å
143V90.2Very high86.4Confident81 Ų8141.5 Ų41.549%0.49126%0.262SS..EExtended strand (participates in β ladder)trans-120.6117.9-174-176.40000110P50 I51P50-V143 WeakPolarHBondContact CA-O 3.47Å; P50-V143 WeakPolarHBondContact CB-O 3.45Å; I51-V143 PolarHBondContact N-O 3.05Å; I51-V143 PolarHBondContact O-N 3.02Å
144S88.5Confident87Confident8 Ų843.5 Ų43.56%0.05626%0.257CS..  trans-96.3157.1169.71790000110.9A46 T146 D147A46-S144 WeakPolarHBondContact CB-OG 3.4Å; S144-T146 PolarHBondContact OG-N 2.81Å; S144-T146 PolarHBondContact OG-OG1 2.99Å; S144-D147 PolarHBondContact OG-N 2.88Å
145S82.3Confident87.2Confident88 Ų8847.3 Ų47.362%0.61527%0.274SS*.SBendtrans-83.5-17.2170.856.10000113.8
146T81.7Confident87.4Confident70 Ų7045.3 Ų45.343%0.42926%0.26SS..SBendtrans-108.1-37178.8560000112.3A46 S144 I148A46-T146 WeakPolarHBondContact CA-OG1 3.31Å; A46-T146 WeakPolarHBondContact CB-OG1 3.38Å; S144-T146 PolarHBondContact OG-N 2.81Å; S144-T146 PolarHBondContact OG-OG1 2.99Å; T146-I148 PolarHBondContact O-N 3.04Å
147D79Confident87.5Confident3 Ų346 Ų462%0.01626%0.263CS..  trans-103.389.7-169.8-57.311.8000109.1I19 T44 S45 A46 S144I19-D147 HydrophobicContact CB-CB 4.13Å; I19-D147 WeakPolarHBondContact CG2-O 3.31Å; T44-D147 WeakPolarHBondContact CA-OD2 3.43Å; T44-D147 WeakPolarHBondContact CB-OD2 3.37Å; T44-D147 PolarHBondContact OG1-OD2 3.08Å; S45-D147 WeakPolarHBondContact CA-OD2 3.46Å; S45-D147 PolarHBondContact N-OD2 2.93Å; S45-D147 VanDerWaalsContact OG-CG 3.23Å; S45-D147 PolarHBondContact OG-OD1 2.87Å; S45-D147 PolarHBondContact OG-OD2 2.87Å; A46-D147 PolarHBondContact N-OD2 2.87Å; S144-D147 PolarHBondContact OG-N 2.88Å
148I76.5Confident87.5Confident142 Ų14246 Ų4673%0.72826%0.262SS*.  trans-103.3-14.9-176.7-49.7179000111.3T146T146-I148 PolarHBondContact O-N 3.04Å
149S73Confident87.3Confident65 Ų6546.8 Ų46.846%0.45527%0.267SS..EExtended strand (participates in β ladder)trans-84.9160172.884.10000111.4L17 A18 I19L17-S149 PolarHBondContact O-OG 3.38Å; A18-S149 CarbonylContact C-O 3.55Å; A18-S149 VanDerWaalsContact CA-O 3.29Å; A18-S149 WeakPolarHBondContact CA-O 3.45Å; A18-S149 WeakPolarHBondContact CA-OG 3.38Å; I19-S149 WeakPolarHBondContact CG2-O 3.22Å; I19-S149 PolarHBondContact N-O 2.64Å
150G77.7Confident87.2Confident54 Ų5445.9 Ų45.956%0.55726%0.264SS*.EExtended strand (participates in β ladder)trans96.7-173.3179.200000114.7I19 N152I19-G150 CarbonylContact O-C 3.32Å; I19-G150 WeakPolarHBondContact O-CA 2.9Å; G150-N152 PolarHBondContact O-N 3.16Å
151N85.9Confident86.8Confident69 Ų6949 Ų4937%0.36928%0.28SS..EExtended strand (participates in β ladder)trans-94.893-177.4-178.370.3000110.9I19 V21 E153I19-N151 CarbonylContact O-C 3.52Å; I19-N151 PolarHBondContact O-N 2.73Å; V21-N151 PolarHBondContact N-O 2.88Å; N151-E153 VanDerWaalsContact C-N 3.34Å; N151-E153 PolarHBondContact ND2-O 3.01Å; N151-E153 PolarHBondContact O-N 3.17Å; N151-E153 PolarHBondContact OD1-O 3.19Å
152N89.1Confident86.2Confident70 Ų7053.3 Ų53.337%0.37430%0.3SS..  trans-82.6-0.8-175.370.4-5.8000115.3I19 V21 T141 V142 G150I19-N152 HydrophobicContact CG2-CB 3.82Å; V21-N152 WeakPolarHBondContact CG2-O 3.24Å; T141-N152 WeakPolarHBondContact CA-O 2.98Å; V142-N152 PolarHBondContact N-O 3.1Å; V142-N152 WeakPolarHBondContact O-CB 3.23Å; G150-N152 PolarHBondContact O-N 3.16Å
153E91.4Very high84.8Confident86 Ų8661.2 Ų61.240%0.40233%0.329SS..EExtended strand (participates in β ladder)trans-136.6145.5175.863.7173.9-164.900114.8C140 T141 N151C140-E153 WeakPolarHBondContact O-CA 3.41Å; T141-E153 HydrophobicContact CG2-CB 3.6Å; N151-E153 VanDerWaalsContact C-N 3.34Å; N151-E153 PolarHBondContact ND2-O 3.01Å; N151-E153 PolarHBondContact O-N 3.17Å; N151-E153 PolarHBondContact OD1-O 3.19Å
154K92.1Very high83Confident90 Ų9064.5 Ų64.539%0.39134%0.337SS..EExtended strand (participates in β ladder)trans-145149.8172.4-150.672.7176.9-171.70110.9V21 C23 F139 C140V21-K154 HydrophobicContact CB-CB 4.4Å; V21-K154 HydrophobicContact CG1-CB 3.9Å; C23-K154 HydrophobicContact CB-CG 4.18Å; F139-K154 CarbonylContact C-O 3.56Å; F139-K154 WeakPolarHBondContact CA-O 3.45Å; C140-K154 PolarHBondContact N-O 2.7Å; C140-K154 PolarHBondContact O-N 3.26Å
155F90.7Very high81.1Confident85 Ų8569 Ų6937%0.37336%0.364SS..EExtended strand (participates in β ladder)trans-111.5149.8-178.274.9-94.1000112.4V137 Y138 F139V137-F155 HydrophobicContact CG1-CB 3.79Å; V137-F155 HydrophobicContact CG1-CD2 3.88Å; V137-F155 HydrophobicContact CG1-CG 4.19Å; Y138-F155 CarbonylContact O-C 3.5Å; Y138-F155 WeakPolarHBondContact O-CA 2.99Å; F139-F155 HydrophobicContact CD1-CB 4.03Å; F139-F155 HydrophobicContact CD2-CB 4.09Å; F139-F155 HydrophobicContact CE1-CB 3.89Å; F139-F155 HydrophobicContact CE2-CB 3.96Å; F139-F155 HydrophobicContact CG-CB 4.12Å; F139-F155 HydrophobicContact CZ-CB 3.85Å; F139-F155 HydrophobicContact CZ-CG 4.48Å
156T92.1Very high79.2Confident0 Ų070.3 Ų70.30%037%0.365CS..EExtended strand (participates in β ladder)trans-131.4147.5167.858.30000109.2C23 T25 K26 Y28 V137 Y138C23-T156 HydrophobicContact CB-CG2 3.43Å; C23-T156 VanDerWaalsContact CB-CG2 3.43Å; T25-T156 VanDerWaalsContact O-CG2 3.31Å; T25-T156 WeakPolarHBondContact O-CG2 3.48Å; K26-T156 CarbonylContact O-C 3.6Å; K26-T156 WeakPolarHBondContact O-CA 3.41Å; Y28-T156 HydrophobicContact CE2-CG2 4.47Å; V137-T156 CarbonylContact C-O 3.57Å; V137-T156 WeakPolarHBondContact CA-O 3.26Å; Y138-T156 PolarHBondContact N-O 2.95Å; Y138-T156 PolarHBondContact O-N 3.19Å; Y138-T156 PolarHBondContact O-OG1 2.94Å
157E90.7Very high77.5Confident15 Ų1573.8 Ų73.87%0.0739%0.386CS..EExtended strand (participates in β ladder)trans-97.4136.8174.1-62.6179.7161.500110K26 R27 Y28 N86K26-E157 PolarHBondContact O-N 3.28Å; R27-E157 CarbonylContact C-O 3.6Å; R27-E157 WeakPolarHBondContact CA-O 3.38Å; R27-E157 HydrophobicContact CB-CB 4.3Å; R27-E157 HydrophobicContact CG-CB 4.28Å; R27-E157 IonicContact CZ-OE2 2.96Å; R27-E157 IonicContact NE-OE2 3.61Å; R27-E157 PolarHBondContact NE-OE2 3.33Å; R27-E157 IonicContact NH2-OE1 3.96Å; R27-E157 IonicContact NH2-OE2 3.57Å; R27-E157 PolarHBondContact NH2-OE2 2.87Å; Y28-E157 PolarHBondContact N-O 3.47Å; N86-E157 PolarHBondContact ND2-OE1 3.03Å
158L91.3Very high75.9Confident0 Ų079 Ų790%042%0.418CS..EExtended strand (participates in β ladder)trans-119.9115.7170.6178.260.8000109.1V30 V36 L38 Y59 I127 S135 G136 Y138 V160V30-L158 HydrophobicContact CG1-CD1 4.4Å; V30-L158 HydrophobicContact CG2-CD1 3.79Å; V36-L158 HydrophobicContact CG1-CD1 4.21Å; V36-L158 HydrophobicContact CG1-CD2 4.22Å; V36-L158 HydrophobicContact CG2-CD1 4.14Å; L38-L158 HydrophobicContact CD2-CD1 4.34Å; Y59-L158 PolarHBondContact OH-O 2.99Å; I127-L158 HydrophobicContact CD1-CD2 4.01Å; S135-L158 CarbonylContact C-O 3.57Å; S135-L158 VanDerWaalsContact CA-O 3.25Å; S135-L158 WeakPolarHBondContact CA-O 3.42Å; G136-L158 PolarHBondContact N-O 3.48Å; G136-L158 PolarHBondContact O-N 3.49Å; Y138-L158 HydrophobicContact CD2-CB 3.88Å; Y138-L158 HydrophobicContact CE2-CB 3.73Å; Y138-L158 HydrophobicContact CE2-CD2 3.74Å; Y138-L158 HydrophobicContact CE2-CG 4.33Å; L158-V160 HydrophobicContact CG-CG2 4.34Å
159I89.4Confident74.3Confident18 Ų1877.7 Ų77.79%0.09241%0.412CS..EExtended strand (participates in β ladder)trans-108.1110.3175.6-57.9176.1000108R27 Y28 V29 V30 Y59 P63 L161R27-I159 HydrophobicContact CG-CD1 4.35Å; Y28-I159 PolarHBondContact O-N 2.8Å; V29-I159 WeakPolarHBondContact CA-O 3.26Å; V29-I159 HydrophobicContact CG2-CB 4.44Å; V30-I159 PolarHBondContact N-O 3.22Å; Y59-I159 WeakPolarHBondContact OH-CG1 3.38Å; P63-I159 HydrophobicContact CG-CD1 4.41Å; I159-L161 HydrophobicContact CG2-CD2 3.77Å; I159-L161 HydrophobicContact CG2-CG 4.23Å
160V90.2Very high73.1Confident12 Ų1282.3 Ų82.37%0.07343%0.431CS..EExtended strand (participates in β ladder)trans-88.3118171.5-173.50000108.2V30 L32 A130 L158V30-V160 HydrophobicContact CG2-CG2 4.18Å; V30-V160 CarbonylContact O-C 3.56Å; V30-V160 WeakPolarHBondContact O-CA 3.22Å; L32-V160 HydrophobicContact CD1-CG1 4.29Å; A130-V160 HydrophobicContact CB-CG2 4.27Å; L158-V160 HydrophobicContact CG-CG2 4.34Å
161L86.5Confident71.4Confident66 Ų6686 Ų8635%0.34644%0.437SS..EExtended strand (participates in β ladder)trans-98.6142.4178.4-64.9-178.8000111.6V29 V30 L32 I64 I159V29-L161 HydrophobicContact CG1-CD1 3.44Å; V29-L161 VanDerWaalsContact CG1-CD1 3.44Å; V29-L161 HydrophobicContact CG1-CG 3.91Å; V30-L161 PolarHBondContact O-N 2.84Å; L32-L161 PolarHBondContact N-O 3.01Å; L32-L161 VanDerWaalsContact N-O 3.07Å; I64-L161 HydrophobicContact CD1-CD2 3.98Å; I159-L161 HydrophobicContact CG2-CD2 3.77Å; I159-L161 HydrophobicContact CG2-CG 4.23Å
162E78.9Confident69.5Low97 Ų9789.2 Ų89.245%0.45346%0.462SS..PPolyproline II helixtrans-67.5134.4161.7-165.3171.9-142.500109.4W132 K164W132-E162 HydrophobicContact CH2-CB 3.5Å; W132-E162 VanDerWaalsContact CH2-CB 3.5Å; W132-E162 HydrophobicContact CH2-CG 3.72Å; W132-E162 HydrophobicContact CZ2-CB 3.85Å; W132-E162 HydrophobicContact CZ2-CG 3.64Å; W132-E162 WeakPolarHBondContact CZ2-OE1 3.29Å; W132-E162 HydrophobicContact CZ3-CB 4.35Å; E162-K164 HydrophobicContact CB-CB 4.34Å; E162-K164 HydrophobicContact CG-CB 4.17Å; E162-K164 PolarHBondContact O-N 3.43Å
163R64.7Low67.4Low166 Ų16689.4 Ų89.463%0.62648%0.481SS*.  trans-74.375.4156.9-172.8-178.1-69.3179-5.4108.1M31 T165M31-R163 PolarHBondContact SD-NH2 2.82Å; R163-T165 HydrophobicContact CG-CG2 4.24Å; R163-T165 PolarHBondContact O-N 2.96Å
164K51.3Low65.3Low150 Ų15090 Ų9065%0.65249%0.486SS*.  trans-75.395.2177.5-166.9166.7-166.5157.10108.2E162 N166E162-K164 HydrophobicContact CB-CB 4.34Å; E162-K164 HydrophobicContact CG-CB 4.17Å; E162-K164 PolarHBondContact O-N 3.43Å; K164-N166 PolarHBondContact O-N 2.78Å
165T47.9Very low63.1Low102 Ų10291.1 Ų91.163%0.62650%0.496SS*.  trans-69.376.6-177.455.70000110.9R163R163-T165 HydrophobicContact CG-CG2 4.24Å; R163-T165 PolarHBondContact O-N 2.96Å
166N43.7Very low61.2Low117 Ų11792.1 Ų92.163%0.62651%0.505SS*.  trans-57.9144.8159.5-73.7-16.8000108.2K164 T168K164-N166 PolarHBondContact O-N 2.78Å; N166-T168 PolarHBondContact O-N 2.76Å
167T45.4Very low59.2Low142 Ų142100 Ų10087%0.87155%0.546SS*.THydrogen-bonded Turntrans-83.954.2-156.754.90000114.1
168T46Very low57.3Low113 Ų113105.6 Ų105.669%0.69358%0.581SS**THydrogen-bonded Turntrans-113.2-25.4174.445.60000113.1N166 L170N166-T168 PolarHBondContact O-N 2.76Å; T168-L170 PolarHBondContact O-N 3.16Å
169D42.8Very low55.4Low114 Ų114111 Ų11161%0.6161%0.608SS**  trans-82.858-169.1-58.5-2.7000112.6L171D169-L171 PolarHBondContact O-N 3.24Å
170L46.4Very low54Low162 Ų162113.2 Ų113.285%0.84862%0.618SS**  trans-77.69.6173.7-80.3171.7000113.8T168T168-L170 PolarHBondContact O-N 3.16Å
171L43.9Very low52.6Low131 Ų131118.9 Ų118.969%0.68665%0.647SS**SBendtrans-134.8115.8176.4-71.5172.5000110.2D169 G173D169-L171 PolarHBondContact O-N 3.24Å; L171-G173 PolarHBondContact O-N 2.83Å
172P44.3Very low52Low137 Ų137126.1 Ų126.189%0.8967%0.67SS**THydrogen-bonded Turntrans-76.2121.417530-32.2000110.7
173G45Very low51.9Low75 Ų75126.1 Ų126.177%0.77367%0.673SS**THydrogen-bonded Turntrans116.425.7164.900000117.8L171L171-G173 PolarHBondContact O-N 2.83Å
174I48Very low52.3Low99 Ų99122.8 Ų122.851%0.50867%0.667SS.*  trans-128.3105.8165.8-42.5179.6000109.3L176I174-L176 VanDerWaalsContact C-N 3.29Å; I174-L176 HydrophobicContact CB-CG 4.18Å; I174-L176 HydrophobicContact CG2-CD1 4.49Å; I174-L176 HydrophobicContact CG2-CD2 3.75Å; I174-L176 HydrophobicContact CG2-CG 3.76Å; I174-L176 PolarHBondContact O-N 2.91Å
175D45.3Very low53.9Low112 Ų112119.4 Ų119.460%0.59966%0.659SS**  trans-77.476.8176.6-70.2-61.8000111.1L177 M179D175-L177 PolarHBondContact O-N 3.41Å; D175-M179 HydrophobicContact CB-CE 4.24Å
176L51.7Low55.7Low107 Ų107119.7 Ų119.756%0.5666%0.656SS**THydrogen-bonded Turntrans-71.845.3-177.6-67.3162.8000113.8I174 E180I174-L176 VanDerWaalsContact C-N 3.29Å; I174-L176 HydrophobicContact CB-CG 4.18Å; I174-L176 HydrophobicContact CG2-CD1 4.49Å; I174-L176 HydrophobicContact CG2-CD2 3.75Å; I174-L176 HydrophobicContact CG2-CG 3.76Å; I174-L176 PolarHBondContact O-N 2.91Å; L176-E180 WeakPolarHBondContact CA-OE1 3.44Å; L176-E180 VanDerWaalsContact CB-OE1 3.28Å; L176-E180 WeakPolarHBondContact CB-OE1 3.47Å; L176-E180 WeakPolarHBondContact CD2-OE1 3.36Å
177L50.3Low57.7Low164 Ų164119.8 Ų119.886%0.85966%0.656SS**THydrogen-bonded Turntrans-141.2-15.5-174.5-88.4172.4000116.2D175D175-L177 PolarHBondContact O-N 3.41Å
178V50.6Low59.8Low133 Ų133117.2 Ų117.281%0.80664%0.64SS**THydrogen-bonded Turntrans-142.4-17.7177.4-166.90000113.4E180V178-E180 VanDerWaalsContact C-N 3.32Å; V178-E180 PolarHBondContact O-N 2.97Å
179M50.8Low62.1Low115 Ų115116 Ų11657%0.56763%0.632SS**SBendtrans-85.1-1.4-173.7-55-163.8-60.300114.4D175D175-M179 HydrophobicContact CB-CE 4.24Å
180E60.4Low64.4Low64 Ų64115 Ų11530%0.29963%0.626SS.*Hα-helixtrans-88.9-21.7-156.1-88.5176.5-125.800116.8L176 V178 W182 L183 L184L176-E180 WeakPolarHBondContact CA-OE1 3.44Å; L176-E180 VanDerWaalsContact CB-OE1 3.28Å; L176-E180 WeakPolarHBondContact CB-OE1 3.47Å; L176-E180 WeakPolarHBondContact CD2-OE1 3.36Å; V178-E180 VanDerWaalsContact C-N 3.32Å; V178-E180 PolarHBondContact O-N 2.97Å; E180-W182 VanDerWaalsContact C-N 3.29Å; E180-W182 PolarHBondContact O-N 2.73Å; E180-L183 HydrophobicContact CG-CD2 4.45Å; E180-L183 PolarHBondContact O-N 3.37Å; E180-L184 WeakPolarHBondContact O-CB 3.06Å; E180-L184 PolarHBondContact O-N 2.98Å
181D59.9Low66.6Low131 Ų131108.9 Ų108.970%0.70160%0.603SS**Hα-helixtrans-53.5-46.7-176.4-68.7-18.9000112.4V185D181-V185 WeakPolarHBondContact O-CB 3.38Å; D181-V185 WeakPolarHBondContact O-CG2 3.33Å; D181-V185 PolarHBondContact O-N 3.26Å
182W74.9Confident68.9Low217 Ų217108.6 Ų108.682%0.82260%0.596SS**Hα-helixtrans-78.2-32.1177.7-60.8101.2000113.2E180 L186E180-W182 VanDerWaalsContact C-N 3.29Å; E180-W182 PolarHBondContact O-N 2.73Å; W182-L186 VanDerWaalsContact O-CB 3.3Å; W182-L186 WeakPolarHBondContact O-CB 3.32Å; W182-L186 PolarHBondContact O-N 3.37Å
183L75.9Confident71.2Confident98 Ų98108.4 Ų108.451%0.51358%0.581SS.*Hα-helixtrans-72.1-43.5-180-169.576.2000111.4E180 L186 L187E180-L183 HydrophobicContact CG-CD2 4.45Å; E180-L183 PolarHBondContact O-N 3.37Å; L183-L186 PolarHBondContact O-N 2.85Å; L183-L187 VanDerWaalsContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CB 3.02Å; L183-L187 PolarHBondContact O-N 3.16Å
184L74.8Confident73.2Confident96 Ų96109.7 Ų109.750%0.50357%0.57SS.*Hα-helixtrans-65.7-44.9175.5-173.3157.5000110E180 L186 L187 V188E180-L184 WeakPolarHBondContact O-CB 3.06Å; E180-L184 PolarHBondContact O-N 2.98Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 2.79Å; L184-L187 PolarHBondContact O-N 3.17Å; L184-V188 HydrophobicContact CD2-CG2 3.87Å; L184-V188 HydrophobicContact CG-CG2 4.48Å; L184-V188 VanDerWaalsContact O-CB 3.32Å; L184-V188 WeakPolarHBondContact O-CB 3.42Å; L184-V188 VanDerWaalsContact O-CG2 3.28Å; L184-V188 WeakPolarHBondContact O-CG2 3.33Å; L184-V188 PolarHBondContact O-N 2.83Å
185V85.1Confident75Confident79 Ų79109.3 Ų109.348%0.47957%0.568SS.*Hα-helixtrans-58-45.5172.21650000111.1D181 V189D181-V185 WeakPolarHBondContact O-CB 3.38Å; D181-V185 WeakPolarHBondContact O-CG2 3.33Å; D181-V185 PolarHBondContact O-N 3.26Å; V185-V189 HydrophobicContact CG1-CG2 4.45Å; V185-V189 WeakPolarHBondContact O-CB 3.24Å; V185-V189 WeakPolarHBondContact O-CG2 3.44Å; V185-V189 PolarHBondContact O-N 2.82Å
186L85.6Confident76.8Confident107 Ų107108 Ų10856%0.5656%0.561SS**Hα-helixtrans-63.4-44.2177.4-166.9159.7000111.7W182 L183 L184 V189 L190W182-L186 VanDerWaalsContact O-CB 3.3Å; W182-L186 WeakPolarHBondContact O-CB 3.32Å; W182-L186 PolarHBondContact O-N 3.37Å; L183-L186 PolarHBondContact O-N 2.85Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 2.79Å; L186-V189 PolarHBondContact O-N 2.82Å; L186-L190 HydrophobicContact CD2-CD1 4.34Å; L186-L190 VanDerWaalsContact O-CB 3.22Å; L186-L190 WeakPolarHBondContact O-CB 3.23Å; L186-L190 PolarHBondContact O-N 2.8Å
187L84.3Confident78.4Confident120 Ų120106.8 Ų106.863%0.62855%0.554SS**Hα-helixtrans-66.4-41.3179.5-170.3154.9000112L183 L184 L190 G191L183-L187 VanDerWaalsContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CB 3.02Å; L183-L187 PolarHBondContact O-N 3.16Å; L184-L187 PolarHBondContact O-N 3.17Å; L187-L190 PolarHBondContact O-N 3.03Å; L187-G191 PolarHBondContact O-N 3.48Å
188V90.6Very high79.6Confident87 Ų87104.2 Ų104.253%0.52754%0.541SS..Hα-helixtrans-66.6-42.9175.4168.80000111L184 G191 F192L184-V188 HydrophobicContact CD2-CG2 3.87Å; L184-V188 HydrophobicContact CG-CG2 4.48Å; L184-V188 VanDerWaalsContact O-CB 3.32Å; L184-V188 WeakPolarHBondContact O-CB 3.42Å; L184-V188 VanDerWaalsContact O-CG2 3.28Å; L184-V188 WeakPolarHBondContact O-CG2 3.33Å; L184-V188 PolarHBondContact O-N 2.83Å; V188-G191 PolarHBondContact O-N 2.87Å; V188-F192 WeakPolarHBondContact O-CB 3.47Å; V188-F192 PolarHBondContact O-N 2.74Å
189V93Very high80.9Confident87 Ų87100.7 Ų100.753%0.52752%0.517SS..Hα-helixtrans-62.8-44.6174.6167.70000111V185 L186 F192 F193V185-V189 HydrophobicContact CG1-CG2 4.45Å; V185-V189 WeakPolarHBondContact O-CB 3.24Å; V185-V189 WeakPolarHBondContact O-CG2 3.44Å; V185-V189 PolarHBondContact O-N 2.82Å; L186-V189 PolarHBondContact O-N 2.82Å; V189-F192 PolarHBondContact O-N 3.05Å; V189-F193 WeakPolarHBondContact O-CB 3.22Å; V189-F193 PolarHBondContact O-N 2.71Å
190L91.2Very high82Confident93 Ų9396.5 Ų96.549%0.48750%0.503SS..Hα-helixtrans-65.2-42177.6-169.5158.1000111.4L186 L187 F193 L194L186-L190 HydrophobicContact CD2-CD1 4.34Å; L186-L190 VanDerWaalsContact O-CB 3.22Å; L186-L190 WeakPolarHBondContact O-CB 3.23Å; L186-L190 PolarHBondContact O-N 2.8Å; L187-L190 PolarHBondContact O-N 3.03Å; L190-F193 PolarHBondContact O-N 2.8Å; L190-L194 HydrophobicContact CD2-CD1 3.62Å; L190-L194 HydrophobicContact CD2-CG 4.07Å; L190-L194 PolarHBondContact O-N 3.36Å
191G93.2Very high82.6Confident35 Ų3597.6 Ų97.636%0.36151%0.51SS..Hα-helixtrans-62.5-42.7174.700000112.8L187 V188 L194 L195L187-G191 PolarHBondContact O-N 3.48Å; V188-G191 PolarHBondContact O-N 2.87Å; G191-L194 PolarHBondContact O-N 2.98Å; G191-L195 WeakPolarHBondContact O-CB 3.49Å; G191-L195 PolarHBondContact O-N 2.77Å
192F92.8Very high82.6Confident125 Ų12592.8 Ų92.855%0.54849%0.486SS..Hα-helixtrans-63.6-40172.8-176.8-106.3000111.8V188 V189 L195 L196V188-F192 WeakPolarHBondContact O-CB 3.47Å; V188-F192 PolarHBondContact O-N 2.74Å; V189-F192 PolarHBondContact O-N 3.05Å; F192-L195 PolarHBondContact O-N 2.74Å; F192-L196 HydrophobicContact CD1-CD1 4.02Å; F192-L196 HydrophobicContact CD1-CG 4.46Å; F192-L196 HydrophobicContact CE1-CD1 3.54Å; F192-L196 HydrophobicContact CE1-CG 4.15Å; F192-L196 HydrophobicContact CZ-CD1 4.01Å; F192-L196 HydrophobicContact CZ-CD2 4.39Å; F192-L196 HydrophobicContact CZ-CG 4.25Å; F192-L196 WeakPolarHBondContact O-CG 3.23Å; F192-L196 PolarHBondContact O-N 2.93Å
193F92Very high81.8Confident132 Ų13291.3 Ų91.358%0.57948%0.481SS*.Hα-helixtrans-65.9-41.6176.4-142.8-88.8000112.2V189 L190 L196 I197V189-F193 WeakPolarHBondContact O-CB 3.22Å; V189-F193 PolarHBondContact O-N 2.71Å; L190-F193 PolarHBondContact O-N 2.8Å; F193-L196 PolarHBondContact O-N 2.77Å; F193-I197 HydrophobicContact CD1-CD1 3.79Å; F193-I197 HydrophobicContact CD1-CG1 4.39Å; F193-I197 HydrophobicContact CE1-CD1 4.2Å; F193-I197 VanDerWaalsContact O-CG1 3.31Å; F193-I197 WeakPolarHBondContact O-CG1 3.5Å; F193-I197 PolarHBondContact O-N 2.86Å
194L86.6Confident80.7Confident102 Ų10291.2 Ų91.253%0.53449%0.488SS..Hα-helixtrans-64.1-38.4172.4-76.8178000112.3L190 G191 I197 L198L190-L194 HydrophobicContact CD2-CD1 3.62Å; L190-L194 HydrophobicContact CD2-CG 4.07Å; L190-L194 PolarHBondContact O-N 3.36Å; G191-L194 PolarHBondContact O-N 2.98Å; L194-I197 PolarHBondContact O-N 3.09Å; L194-L198 WeakPolarHBondContact O-CB 3.48Å; L194-L198 PolarHBondContact O-N 3.39Å
195L85.8Confident79.6Confident91 Ų9191.1 Ų91.148%0.47649%0.485SS..Hα-helixtrans-64.4-43.4175.3-177.2152.2000111.2G191 F192 L198 I199G191-L195 WeakPolarHBondContact O-CB 3.49Å; G191-L195 PolarHBondContact O-N 2.77Å; F192-L195 PolarHBondContact O-N 2.74Å; L195-L198 PolarHBondContact O-N 2.88Å; L195-I199 HydrophobicContact CD2-CD1 3.56Å; L195-I199 HydrophobicContact CD2-CG1 4.35Å; L195-I199 HydrophobicContact CG-CD1 4.42Å; L195-I199 WeakPolarHBondContact O-CB 3.16Å; L195-I199 WeakPolarHBondContact O-CG1 3.41Å; L195-I199 PolarHBondContact O-N 2.74Å
196L84.6Confident77.8Confident85 Ų8590.8 Ų90.845%0.44549%0.485SS..Hα-helixtrans-63.3-38.9173-72.5179.9000112.5F192 F193 G200F192-L196 HydrophobicContact CD1-CD1 4.02Å; F192-L196 HydrophobicContact CD1-CG 4.46Å; F192-L196 HydrophobicContact CE1-CD1 3.54Å; F192-L196 HydrophobicContact CE1-CG 4.15Å; F192-L196 HydrophobicContact CZ-CD1 4.01Å; F192-L196 HydrophobicContact CZ-CD2 4.39Å; F192-L196 HydrophobicContact CZ-CG 4.25Å; F192-L196 WeakPolarHBondContact O-CG 3.23Å; F192-L196 PolarHBondContact O-N 2.93Å; F193-L196 PolarHBondContact O-N 2.77Å; L196-G200 PolarHBondContact O-N 2.84Å
197I84.3Confident75.8Confident81 Ų8189.7 Ų89.742%0.41549%0.485SS..Hα-helixtrans-64-43.8174.1-72.7166.1000110.9F193 L194 G200 I201F193-I197 HydrophobicContact CD1-CD1 3.79Å; F193-I197 HydrophobicContact CD1-CG1 4.39Å; F193-I197 HydrophobicContact CE1-CD1 4.2Å; F193-I197 VanDerWaalsContact O-CG1 3.31Å; F193-I197 WeakPolarHBondContact O-CG1 3.5Å; F193-I197 PolarHBondContact O-N 2.86Å; L194-I197 PolarHBondContact O-N 3.09Å; I197-G200 PolarHBondContact O-N 3.41Å; I197-I201 HydrophobicContact CG2-CD1 3.72Å; I197-I201 HydrophobicContact CG2-CG1 4.45Å; I197-I201 VanDerWaalsContact O-CG1 3.28Å; I197-I201 WeakPolarHBondContact O-CG1 3.23Å; I197-I201 PolarHBondContact O-N 2.7Å
198L75.3Confident74.2Confident110 Ų11089.9 Ų89.958%0.57649%0.493SS*.Hα-helixtrans-65.8-43.8179.4-164.8159.9000111.2L194 L195 I201 C202L194-L198 WeakPolarHBondContact O-CB 3.48Å; L194-L198 PolarHBondContact O-N 3.39Å; L195-L198 PolarHBondContact O-N 2.88Å; L198-I201 PolarHBondContact O-N 2.71Å; L198-C202 VanDerWaalsContact O-CB 3.28Å; L198-C202 WeakPolarHBondContact O-CB 3.16Å; L198-C202 PolarHBondContact O-N 3.16Å
199I78.9Confident72.1Confident59 Ų5994 Ų9430%0.30351%0.507SS..Hα-helixtrans-60.9-44.6172.2-71.4-179.9000110.7L195 I201 C202 W203L195-I199 HydrophobicContact CD2-CD1 3.56Å; L195-I199 HydrophobicContact CD2-CG1 4.35Å; L195-I199 HydrophobicContact CG-CD1 4.42Å; L195-I199 WeakPolarHBondContact O-CB 3.16Å; L195-I199 WeakPolarHBondContact O-CG1 3.41Å; L195-I199 PolarHBondContact O-N 2.74Å; I199-I201 PolarHBondContact O-N 2.95Å; I199-C202 WeakPolarHBondContact O-CB 3.17Å; I199-C202 PolarHBondContact O-N 3.18Å; I199-W203 HydrophobicContact CG2-CD2 3.74Å; I199-W203 HydrophobicContact CG2-CE3 4.22Å; I199-W203 HydrophobicContact CG2-CG 4.22Å; I199-W203 HydrophobicContact CG2-CH2 4.12Å; I199-W203 HydrophobicContact CG2-CZ2 3.62Å; I199-W203 HydrophobicContact CG2-CZ3 4.39Å; I199-W203 WeakPolarHBondContact O-CB 3.45Å; I199-W203 VanDerWaalsContact O-CG 3.3Å; I199-W203 PolarHBondContact O-N 3.11Å
200G72.6Confident70Confident28 Ų2895.8 Ų95.829%0.28952%0.518SS..Hα-helixtrans-59.8-45.717700000113L196 I197 W203 C204L196-G200 PolarHBondContact O-N 2.84Å; I197-G200 PolarHBondContact O-N 3.41Å; G200-W203 PolarHBondContact O-N 3.01Å; G200-C204 WeakPolarHBondContact O-CB 3.35Å; G200-C204 PolarHBondContact O-N 3.23Å; G200-C204 PolarHBondContact O-SG 3.5Å; G200-C204 VanDerWaalsContact O-SG 3.32Å
201I73.6Confident67.9Low86 Ų8697.6 Ų97.644%0.44154%0.537SS..Hα-helixtrans-62.7-44175.4-68.7165.2000110.8I197 L198 I199 C204 Q205I197-I201 HydrophobicContact CG2-CD1 3.72Å; I197-I201 HydrophobicContact CG2-CG1 4.45Å; I197-I201 VanDerWaalsContact O-CG1 3.28Å; I197-I201 WeakPolarHBondContact O-CG1 3.23Å; I197-I201 PolarHBondContact O-N 2.7Å; L198-I201 PolarHBondContact O-N 2.71Å; I199-I201 PolarHBondContact O-N 2.95Å; I201-C204 PolarHBondContact O-N 3.23Å; I201-Q205 WeakPolarHBondContact O-CB 3.48Å; I201-Q205 WeakPolarHBondContact O-CG 3.45Å; I201-Q205 PolarHBondContact O-N 3.31Å
202C60.4Low65.7Low30 Ų30102.1 Ų102.120%0.20356%0.562CS.*Hα-helixtrans-61.1-44.4176.6-178.20000111.9L198 I199 Q205 C206L198-C202 VanDerWaalsContact O-CB 3.28Å; L198-C202 WeakPolarHBondContact O-CB 3.16Å; L198-C202 PolarHBondContact O-N 3.16Å; I199-C202 WeakPolarHBondContact O-CB 3.17Å; I199-C202 PolarHBondContact O-N 3.18Å; C202-Q205 PolarHBondContact O-N 3.24Å; C202-C206 WeakPolarHBondContact O-CB 3.49Å; C202-C206 PolarHBondContact O-N 2.91Å; C202-C206 PolarHBondContact O-SG 3.28Å
203W58.7Low63.6Low186 Ų18699.4 Ų99.471%0.70556%0.558SS**Hα-helixtrans-68.3-44.2178.2-70.12.5000112.1I199 G200 Q205 C206I199-W203 HydrophobicContact CG2-CD2 3.74Å; I199-W203 HydrophobicContact CG2-CE3 4.22Å; I199-W203 HydrophobicContact CG2-CG 4.22Å; I199-W203 HydrophobicContact CG2-CH2 4.12Å; I199-W203 HydrophobicContact CG2-CZ2 3.62Å; I199-W203 HydrophobicContact CG2-CZ3 4.39Å; I199-W203 WeakPolarHBondContact O-CB 3.45Å; I199-W203 VanDerWaalsContact O-CG 3.3Å; I199-W203 PolarHBondContact O-N 3.11Å; G200-W203 PolarHBondContact O-N 3.01Å; W203-Q205 VanDerWaalsContact C-N 3.29Å; W203-Q205 PolarHBondContact O-N 2.93Å; W203-C206 PolarHBondContact O-N 2.02Å
204C51.9Low61.3Low97 Ų97101.7 Ų101.766%0.65558%0.575SS**Hα-helixtrans-64.1-30.3176.8-72.30000113.4G200 I201G200-C204 WeakPolarHBondContact O-CB 3.35Å; G200-C204 PolarHBondContact O-N 3.23Å; G200-C204 PolarHBondContact O-SG 3.5Å; G200-C204 VanDerWaalsContact O-SG 3.32Å; I201-C204 PolarHBondContact O-N 3.23Å
205Q50.6Low59.5Low94 Ų94103.8 Ų103.844%0.43959%0.585SS.*Hα-helixtrans-82.9-13.6176.2-70.3-179.74.100113.8I201 C202 W203 C217I201-Q205 WeakPolarHBondContact O-CB 3.48Å; I201-Q205 WeakPolarHBondContact O-CG 3.45Å; I201-Q205 PolarHBondContact O-N 3.31Å; C202-Q205 PolarHBondContact O-N 3.24Å; W203-Q205 VanDerWaalsContact C-N 3.29Å; W203-Q205 PolarHBondContact O-N 2.93Å; Q205-C217 VanDerWaalsContact OE1-CB 3.28Å; Q205-C217 PolarHBondContact OE1-SG 2.96Å
206C48.5Very low57.5Low71 Ų71105 Ų10548%0.4860%0.601SS.*THydrogen-bonded Turntrans-94.50.4177.1-74.10000114.4C202 W203 P208C202-C206 WeakPolarHBondContact O-CB 3.49Å; C202-C206 PolarHBondContact O-N 2.91Å; C202-C206 PolarHBondContact O-SG 3.28Å; W203-C206 PolarHBondContact O-N 2.02Å; C206-P208 WeakPolarHBondContact O-CD 3.31Å
207C43.9Very low55.8Low85 Ų85102.7 Ų102.757%0.57459%0.592SS**  trans-69.7117.2174.7-70.60000111.3H209C207-H209 VanDerWaalsContact C-N 3.29Å; C207-H209 PolarHBondContact O-N 3.3Å
208P50Low54.4Low123 Ų123105 Ų10580%0.79961%0.612SS**SBendtrans-78.27.2-157.129.8-37.5000117C206C206-P208 WeakPolarHBondContact O-CD 3.31Å
209H46.1Very low53Low173 Ų173102.5 Ų102.580%0.80160%0.603SS**SBendtrans-115.5-38.3-170-88-71.3000117.2C207C207-H209 VanDerWaalsContact C-N 3.29Å; C207-H209 PolarHBondContact O-N 3.3Å
210T48.9Very low51.4Low126 Ų126102.3 Ų102.377%0.77361%0.606SS**SBendtrans-158.8108.3176.140.20000113.2
211C46.7Very low50.2Low130 Ų130106.3 Ų106.388%0.87863%0.627SS**  trans-173.1156132.1-98.80000111.4
212C47Very low48.9Very low130 Ų130109 Ų10988%0.87864%0.643SS**  trans-92.2131.8-174-57.20000112.3
213C48.6Very low48.1Very low69 Ų69117.3 Ų117.347%0.46667%0.669SS.*  trans-101113.6163.7-690000110
214L45.3Very low47.4Very low180 Ų180113.6 Ų113.694%0.94267%0.671SS**SBendtrans-98-0169.8-157.672.4000112.2
215I47.2Very low47Very low146 Ų146114.3 Ų114.375%0.74968%0.676SS**SBendtrans-131.6140.2179.2-69175.7000107.6
216S45.4Very low46.5Very low115 Ų115114.2 Ų114.280%0.80469%0.685SS**  trans-67.9127.7-179-54.90000111.8
217C48.8Very low46.3Very low38 Ų38114.9 Ų114.926%0.25769%0.688SS.*  trans-103.2133.2175.1-177.40000110.5Q205 C219Q205-C217 VanDerWaalsContact OE1-CB 3.28Å; Q205-C217 PolarHBondContact OE1-SG 2.96Å; C217-C219 PolarHBondContact O-N 2.54Å; C217-C219 VanDerWaalsContact O-N 3.14Å
218P54.3Low46.5Very low128 Ų128120.1 Ų120.183%0.83170%0.695SS**THydrogen-bonded Turntrans-66.8-13.1-176.626.7-35.8000114.7
219C45.3Very low46.6Very low58 Ų58117.6 Ų117.639%0.39269%0.685SS.*THydrogen-bonded Turntrans-87.7-4.9-175.8-59.40000114.9C217C217-C219 PolarHBondContact O-N 2.54Å; C217-C219 VanDerWaalsContact O-N 3.14Å
220C46.1Very low46.7Very low56 Ų56115.8 Ų115.838%0.37868%0.681SS.*  trans-139.180.8-179.9-79.60000112.6D222C220-D222 PolarHBondContact O-N 2.92Å
221P47.8Very low46.9Very low111 Ų111119.5 Ų119.572%0.72168%0.682SS**SBendtrans-62.4-41179.223-32.5000113.7
222D45.8Very low47.1Very low144 Ų144119.3 Ų119.377%0.7767%0.668SS**SBendtrans-107.72.3-164.3-62-54.4000116.1C220C220-D222 PolarHBondContact O-N 2.92Å
223R43.2Very low47.3Very low203 Ų203115.6 Ų115.677%0.76665%0.647SS**  trans-132.252.9-172.8-68.8-66178.9140.10.4114.5C225R223-C225 VanDerWaalsContact C-N 3.26Å; R223-C225 PolarHBondContact O-N 2.94Å
224C43.3Very low47.5Very low109 Ų109114.9 Ų114.974%0.73665%0.651SS**  trans-6781.3162.6-74.20000111.4C226C224-C226 PolarHBondContact O-N 2.7Å
225C44.7Very low47.5Very low112 Ų112114.9 Ų114.976%0.75764%0.643SS**  trans-73.258.5174.9-770000113R223R223-C225 VanDerWaalsContact C-N 3.26Å; R223-C225 PolarHBondContact O-N 2.94Å
226C39.7Very low47.4Very low92 Ų92110.9 Ų110.962%0.62263%0.632SS**  trans-67.1128.3159-92.40000109.3C224 R228C224-C226 PolarHBondContact O-N 2.7Å; C226-R228 PolarHBondContact O-N 2.82Å
227P44.7Very low47.5Very low85 Ų85109.5 Ų109.555%0.55263%0.628SS**  trans-71.295.917928.5-34.1000110.4A229 L230P227-A229 PolarHBondContact O-N 2.97Å; P227-L230 PolarHBondContact O-N 3.2Å
228R48.8Very low47.4Very low194 Ų194117.1 Ų117.173%0.73266%0.657SS**Hα-helixtrans-49.3-33.1178.8-70.8-172.6179177.2-0.1113.1C226 L230 Y231 E232C226-R228 PolarHBondContact O-N 2.82Å; R228-L230 VanDerWaalsContact C-N 3.25Å; R228-L230 PolarHBondContact O-N 3.01Å; R228-L230 VanDerWaalsContact O-N 3.15Å; R228-Y231 PolarHBondContact O-N 3.29Å; R228-E232 WeakPolarHBondContact O-CB 3.24Å; R228-E232 PolarHBondContact O-N 2.85Å
229A51.2Low46.6Very low71 Ų71119.6 Ų119.659%0.58765%0.654SS**Hα-helixtrans-46.6-41174.600000114.3P227 A233P227-A229 PolarHBondContact O-N 2.97Å; A229-A233 WeakPolarHBondContact O-CB 3.38Å; A229-A233 PolarHBondContact O-N 3.16Å
230L49.1Very low46.7Very low135 Ų135120.7 Ų120.771%0.70768%0.676SS**Hα-helixtrans-80.9-31.1-179.8-76.6174.6000113.5P227 R228 G234P227-L230 PolarHBondContact O-N 3.2Å; R228-L230 VanDerWaalsContact C-N 3.25Å; R228-L230 PolarHBondContact O-N 3.01Å; R228-L230 VanDerWaalsContact O-N 3.15Å; L230-G234 PolarHBondContact O-N 2.92Å
231Y52.4Low46.2Very low204 Ų204124.5 Ų124.580%0.870%0.697SS**Hα-helixtrans-76.2-32.1177.1-156.5-104.7000111.8R228 K235R228-Y231 PolarHBondContact O-N 3.29Å; Y231-K235 PolarHBondContact O-N 2.77Å
232E51.4Low45.7Very low126 Ų126126.5 Ų126.559%0.58970%0.701SS**Hα-helixtrans-75.7-44.2173.2-70.3168.5-162.300111.2R228 G234 K235 A236R228-E232 WeakPolarHBondContact O-CB 3.24Å; R228-E232 PolarHBondContact O-N 2.85Å; E232-G234 PolarHBondContact O-N 2.92Å; E232-K235 PolarHBondContact O-N 2.83Å; E232-K235 VanDerWaalsContact O-N 3.14Å; E232-A236 PolarHBondContact O-N 3.18Å
233A51.6Low45.1Very low51 Ų51125 Ų12542%0.42170%0.701SS.*Hα-helixtrans-61.4-41.1172.700000112.6A229 K235 A236 A237A229-A233 WeakPolarHBondContact O-CB 3.38Å; A229-A233 PolarHBondContact O-N 3.16Å; A233-K235 PolarHBondContact O-N 2.76Å; A233-A236 PolarHBondContact O-N 3.15Å; A233-A236 VanDerWaalsContact O-N 3.11Å; A233-A237 WeakPolarHBondContact O-CB 3.3Å; A233-A237 PolarHBondContact O-N 2.91Å
234G52.6Low45Very low54 Ų54122.3 Ų122.356%0.55770%0.698SS**Hα-helixtrans-61.7-26.2175.400000113.8L230 E232L230-G234 PolarHBondContact O-N 2.92Å; E232-G234 PolarHBondContact O-N 2.92Å
235K43.5Very low44.4Very low180 Ų180127.3 Ų127.378%0.78370%0.703SS**Hα-helixtrans-84-29174.5-161.3171.9-176.91790112.7Y231 E232 A233Y231-K235 PolarHBondContact O-N 2.77Å; E232-K235 PolarHBondContact O-N 2.83Å; E232-K235 VanDerWaalsContact O-N 3.14Å; A233-K235 PolarHBondContact O-N 2.76Å
236A46.8Very low43.6Very low62 Ų62125.9 Ų125.951%0.51270%0.699SS.*Hα-helixtrans-75.5-39173.700000112.8E232 A233 K238 K239E232-A236 PolarHBondContact O-N 3.18Å; A233-A236 PolarHBondContact O-N 3.15Å; A233-A236 VanDerWaalsContact O-N 3.11Å; A236-K238 PolarHBondContact O-N 2.86Å; A236-K239 PolarHBondContact O-N 2.89Å
237A46.9Very low43.6Very low87 Ų87127.6 Ų127.672%0.71971%0.708SS**THydrogen-bonded Turntrans-61-14.1-172.800000115.5A233A233-A237 WeakPolarHBondContact O-CB 3.3Å; A233-A237 PolarHBondContact O-N 2.91Å
238K46.4Very low43Very low198 Ų198129.6 Ų129.686%0.86172%0.72SS**THydrogen-bonded Turntrans-90.91.5173.4-154.6171.7-178.3176.90114.1A236A236-K238 PolarHBondContact O-N 2.86Å
239K38.4Very low42.2Very low179 Ų179125.9 Ų125.978%0.77872%0.719SS**SBendtrans-131.880.2171.9-71.9-170.1175.5-172.80109.7A236 V241A236-K239 PolarHBondContact O-N 2.89Å; K239-V241 PolarHBondContact O-N 2.04Å; K239-V241 VanDerWaalsContact O-N 3.11Å
240G46.4Very low41.2Very low82 Ų82133.4 Ų133.485%0.84573%0.733SS**  trans-61.1111.5179.900000112.3
241V36.4Very low40.3Very low135 Ų135133.4 Ų133.482%0.81874%0.744SS**  trans-137.1140.1166.7-177.40000107.1K239K239-V241 PolarHBondContact O-N 2.04Å; K239-V241 VanDerWaalsContact O-N 3.11Å
242L36.1Very low39.1Very low154 Ų154127.1 Ų127.181%0.80674%0.742SS**  trans-67.2133.5-177.7-134.174.2000111.2
243S33.8Very low38.2Very low111 Ų111128.8 Ų128.878%0.77675%0.752SS**  trans-92.3108.2166.9-167.90000109.6
244Q40.9Very low37.2Very low148 Ų148136.2 Ų136.269%0.69277%0.77SS**  trans-79139.1171-16178.7-1.900109.2
245Y30.4Very low36.1Very low214 Ų214138 Ų13884%0.83978%0.78SS**SBendtrans65.2140.8-173.4-63.1-97.4000115.2
246A27.5Very low35.5Very low82 Ų82137.8 Ų137.868%0.67878%0.782SS**  cis-155.6137.2-21.500000109.4
247P40Very low35.2Very low127 Ų127140.6 Ų140.683%0.82580%0.795SS**  trans-100.3137.8-178.735.8-31.4000113.3
248T32.1Very low34.5Very low128 Ų128142.8 Ų142.879%0.78580%0.799SS**  trans-135.1101.5163.6540000111
249T33.2Very low33.7Very low116 Ų116144.3 Ų144.371%0.71280%0.801SS**SBendtrans35.2115.5136.857.80000117.8
250Y29.8Very low33.3Very low229 Ų229139.5 Ų139.590%0.89880%0.802SS**  cis-143.8131.322.6-82.2-102.6000112.5
251S29.5Very low32.4Very low134 Ų134138.9 Ų138.994%0.93780%0.796SS**  trans-167.6129.3148.3-174.20000109.1
252G28.4Very low31.9Very low73 Ų73137.9 Ų137.975%0.75380%0.795SS**  trans148.170.8176.300000116.6
253M31.2Very low31.6Very low161 Ų161138.4 Ų138.479%0.79379%0.794SS**SBendtrans-173.7110.9158.6-102-177.8176.100106.6
254Y30.8Very low31.4Very low206 Ų206141.3 Ų141.381%0.80879%0.792SS**  cis-131.5144.5-3-84-105.7000110.1
255A29.9Very low30.9Very low93 Ų93140.4 Ų140.477%0.76979%0.788SS**  trans-146.4108.4164.800000110.2
256Q31.1Very low30.7Very low174 Ų174137.6 Ų137.681%0.81378%0.782SS**  trans-140.3107.5174.5-85.6-75.5-67.800108
257P40.2Very low30.8Very low122 Ų122139.3 Ų139.379%0.79279%0.789SS**  trans-97.6124.2-177.533.9-29.4000112
258V31.7Very low30.3Very low133 Ų133137.9 Ų137.981%0.80679%0.788SS**  trans-136.3136.3171.2-176.50000111.4
259Y29.5Very low30.6Very low229 Ų229139.3 Ų139.390%0.89879%0.79SS**  trans-32.5142173-90.7-116.5000118.5
260G29.6Very low30.9Very low78 Ų78139.2 Ų139.280%0.80479%0.791SS**  119.1128.1124.500000119.5
261G27.4Very low30.9Very low70 Ų70135.8 Ų135.872%0.72279%0.787SS**  trans9376.413200000121.8
262S27.5Very low31.2Very low114 Ų114137 Ų13780%0.79778%0.782SS**  trans67.8149.7133.874.10000123.8
263Q29.9Very low31.7Very low165 Ų165138 Ų13877%0.77178%0.775SS**  trans83130.3153-59.4-13516.300122.6
264F29.1Very low31.7Very low171 Ų171139.3 Ų139.375%0.7578%0.777SS**  trans57.7127.8141.9-93-99.8000124.7
265H29.5Very low32.2Very low129 Ų129135 Ų13560%0.59778%0.775SS**  trans57.8113139.6-94.9-121.9000122.9
266Q27.7Very low32.3Very low155 Ų155138.9 Ų138.972%0.72478%0.783SS**  62.5124.5122.2-69.8-175.4-17.200122.2
267S28.8Very low32.2Very low118 Ų118134.2 Ų134.283%0.82578%0.781SS**  trans90.1172.3130.9820000121.3
268A30.1Very low31.8Very low97 Ų97135.8 Ų135.880%0.80279%0.788SS**  trans81.8133178.400000118
269I37.5Very low31.7Very low159 Ų159132.8 Ų132.882%0.81578%0.783SS**  trans-116.4137.7179.7-60.2154.9000107.9
270P39.7Very low31.7Very low113 Ų113131 Ų13173%0.73478%0.783SS**  trans-145.8157.2137.335.2-19.9000112.7
271L30.1Very low32.7Very low157 Ų157132.4 Ų132.482%0.82278%0.778SS**  cis-163.2169.4-20.2-143.477.5000106.9
272L35.3Very low33Very low159 Ų159138.2 Ų138.283%0.83279%0.787SS**  trans-80.5-173.7164.7-68.9168.7000109.4
273P38.8Very low33.4Very low94 Ų94138.1 Ų138.161%0.6179%0.786SS**  cis-150-167.115.826.73.4000118.2
274F31.7Very low33.3Very low190 Ų190137.8 Ų137.883%0.83379%0.79SS**  trans101.1118.1152.8-69.6-62.9000121.3
275P40.8Very low33.3Very low116 Ų116139.7 Ų139.775%0.75379%0.793SS**  trans-100159.7158.838.6-31.2000112.4
276N33.1Very low33.3Very low174 Ų174136.9 Ų136.993%0.9380%0.799SS**  trans-117.6145.6165.9-84.5-16.3000110.1
277G28.1Very low33.5Very low75 Ų75137 Ų13777%0.77380%0.799SS**  trans-151.8146.2178.300000113.9
278V31.5Very low33.6Very low156 Ų156137.4 Ų137.495%0.94579%0.792SS**  trans-155140.8172-171.10000105.4
279G29.5Very low33.7Very low69 Ų69142.7 Ų142.771%0.71179%0.793SS**  cis-167.8163.9-5.800000109.6
280Q31Very low33.5Very low192 Ų192143 Ų14390%0.89780%0.796SS**  trans-87.3-166.8-177.1-54.3-175.7-49.400111.5
281P50.2Low33.2Very low107 Ų107141.4 Ų141.470%0.69580%0.801SS**  cis-140.2174.1-5.641.9-24000117
282Q33.1Very low33.3Very low193 Ų193138.6 Ų138.690%0.90280%0.8SS**  -170.3163.8114.4-101.6-177.210.300112
283S35.3Very low33Very low111 Ų111136.8 Ų136.878%0.77680%0.801SS**  trans-128.4159-163.2-45.90000112.9
284N28.3Very low32.6Very low159 Ų159137.9 Ų137.985%0.8581%0.811SS**  -157.7161.1124.9-150.411.8000113.2
285Y29.6Very low32.5Very low210 Ų210135.6 Ų135.682%0.82481%0.812SS**  trans-110.6165.8177.7-87.2-102.9000112
286G29.1Very low31.9Very low70 Ų70133.4 Ų133.472%0.72281%0.811SS**  trans-170145.7171.800000114
287H32.2Very low31.8Very low157 Ų157135 Ų13573%0.72781%0.812SS**  trans-144.8168.5-166.1-94.4-119000109.5
288D30.3Very low31.7Very low128 Ų128135 Ų13568%0.68481%0.812SS**  cis-148-161.29.3-140.3-49.8000112.5
289Y31.8Very low31.8Very low207 Ų207132.7 Ų132.781%0.81280%0.803SS**  trans-76.3179.6179.5-89.2-94.7000117.1
290D33.5Very low31.8Very low165 Ų165138.6 Ų138.688%0.88281%0.811SS**  trans89137.1161.4-68.4-23.6000121
291G34.4Very low31.7Very low81 Ų81135.2 Ų135.284%0.83580%0.803SS**  trans153.782.1179.700000113.6
292A31.5Very low30.9Very low97 Ų97136.1 Ų136.180%0.80281%0.809SS**  trans-89.9143.9-175.600000114.1
293S30.2Very low30.7Very low121 Ų121134.7 Ų134.785%0.84681%0.807SS**  trans45.1130157.7-67.20000120.5
294S29.5Very low30.6Very low118 Ų118137.3 Ų137.383%0.82581%0.812SS**  179.6175.8109.7-1570000112.8
295V29.4Very low30.7Very low141 Ų141137.3 Ų137.386%0.85581%0.806SS**  trans-64.6156.5-177.3-60.60000115.1
296G28.5Very low30.8Very low71 Ų71135 Ų13573%0.73281%0.808SS**  trans170.6129.4162.500000113.7
297H30.8Very low30.8Very low208 Ų208136.4 Ų136.496%0.96381%0.807SS**  trans-89134.3163-75.343.9000108.5
298G27Very low30.7Very low75 Ų75132.7 Ų132.777%0.77381%0.811SS**  trans-164.2101.6179.900000112.2
299S32.8Very low30.8Very low106 Ų106129.6 Ų129.674%0.74181%0.81SS**  trans-84.2124.3-178.553.80000112.6
300H29.5Very low30.9Very low193 Ų193126.4 Ų126.489%0.89481%0.807SS**  trans-141.6133.9155.9-71.3-62.8000110.9
301V29.8Very low31Very low121 Ų121127 Ų12773%0.73380%0.804SS**  trans-117.5123.8-179.2175.20000108.9L303V301-L303 PolarHBondContact O-N 2.94Å
302P33Very low31.2Very low126 Ų126129.3 Ų129.382%0.81880%0.802SS**  trans-75.8104.2161.7-10.627.8000108.9
303L28.9Very low31.7Very low164 Ų164136.1 Ų136.186%0.85981%0.807SS**  trans-68.3138.2166.1-78.3165.4000109.3V301V301-L303 PolarHBondContact O-N 2.94Å
304L33.2Very low32Very low166 Ų166135.1 Ų135.187%0.86980%0.8SS**  trans-134.893.1170.4-132169.9000110.7
305Q30.2Very low32.3Very low158 Ų158133 Ų13374%0.73880%0.796SS**  trans33.4107.1156.4-14072.722.300119
306D31.6Very low32.8Very low161 Ų161137.3 Ų137.386%0.86180%0.799SS**  trans-70.5127.5160.3-148.2-24.8000109.7
307S29.6Very low33.3Very low100 Ų100144.5 Ų144.570%0.69980%0.804SS**  trans-163.269.5-179.4-77.90000113.4
308G30Very low33.9Very low79 Ų79141.5 Ų141.581%0.81479%0.794SS**  trans51.2101.1147.100000119.9
309G32Very low34.5Very low64 Ų64145.7 Ų145.766%0.6679%0.793SS**  trans151.6137.3158.300000114.7H311G309-H311 PolarHBondContact O-ND1 2.83Å
310D33.1Very low35Very low140 Ų140144.9 Ų144.975%0.74978%0.784SS**  trans8.1111168.9-102.4-58.5000118.7T312D310-T312 PolarHBondContact OD1-OG1 2.86Å
311H35.4Very low35.6Very low178 Ų178141.4 Ų141.482%0.82477%0.772SS**  trans-117.348.2167.8-80.417.1000112G309 R313G309-H311 PolarHBondContact O-ND1 2.83Å; H311-R313 PolarHBondContact O-N 2.88Å
312T38.7Very low36.7Very low128 Ų128141.3 Ų141.379%0.78577%0.773SS**  trans-86.323.3168.446.20000112.7D310D310-T312 PolarHBondContact OD1-OG1 2.86Å
313R42.7Very low37.7Very low240 Ų240142.4 Ų142.491%0.90677%0.772SS**  trans-152.269-175.2-157.3-177.5-173.9-172.92.5116.9H311H311-R313 PolarHBondContact O-N 2.88Å
314S36.9Very low39Very low100 Ų100137.6 Ų137.670%0.69976%0.762SS**  trans-14886.2161.946.70000112.4
315G35.3Very low40.3Very low73 Ų73134.1 Ų134.175%0.75375%0.745SS**  trans-73.6131.4169.100000111.3R317G315-R317 PolarHBondContact O-N 2.88Å; G315-R317 VanDerWaalsContact O-N 3.08Å
316Y40.4Very low41.6Very low233 Ų233129.5 Ų129.591%0.91473%0.734SS**  trans-60.9109.4178-73.8-93.7000111.4
317R38.9Very low43Very low222 Ų222127 Ų12784%0.83872%0.724SS**  trans-99.795.2165.6-78.1-169.3171.7119.9-3.4109.8G315 Q319G315-R317 PolarHBondContact O-N 2.88Å; G315-R317 VanDerWaalsContact O-N 3.08Å; R317-Q319 PolarHBondContact O-N 3.49Å
318I41.7Very low44.5Very low144 Ų144130 Ų13074%0.73872%0.72SS**  trans-72.695.2166.8-54.5177.3000107.5V320I318-V320 HydrophobicContact CG2-CG2 3.88Å; I318-V320 PolarHBondContact O-N 3.14Å
319Q41.5Very low46Very low163 Ų163128.1 Ų128.176%0.76270%0.697SS**  trans-80.4101.5168.4-67.7-172.553.600108.5R317R317-Q319 PolarHBondContact O-N 3.49Å
320V43.4Very low47.7Very low90 Ų90129.6 Ų129.655%0.54569%0.689SS.*  trans-84.3108.7168-175.50000107.3I318I318-V320 HydrophobicContact CG2-CG2 3.88Å; I318-V320 PolarHBondContact O-N 3.14Å
321N41.7Very low49.1Very low120 Ų120130.7 Ų130.764%0.64268%0.684SS**  trans-60.9138.6167.4-70.7-18.6000108.7D323N321-D323 PolarHBondContact O-N 3.17Å
322P52Low50.3Low118 Ų118129.2 Ų129.277%0.76667%0.672SS**SBendtrans-61.9-26.6-178.825.3-33.5000112.3G324P322-G324 PolarHBondContact O-N 3.08Å; P322-G324 VanDerWaalsContact O-N 3.16Å
323D54.3Low51.6Low149 Ų149128.9 Ų128.980%0.79766%0.663SS**SBendtrans-91.678.2-169.9-49.5-46.6000112.2N321N321-D323 PolarHBondContact O-N 3.17Å
324G56Low52.7Low63 Ų63123.4 Ų123.465%0.64965%0.648SS**SBendtrans89.848.6148.300000119.3P322P322-G324 PolarHBondContact O-N 3.08Å; P322-G324 VanDerWaalsContact O-N 3.16Å
325N59.8Low54.2Low93 Ų93125.4 Ų125.450%0.49764%0.644SS.*  trans-153.227.8159.6-118.5-68.2000116.8T327 R328N325-T327 PolarHBondContact O-N 3.35Å; N325-R328 PolarHBondContact O-N 3.41Å; N325-R328 VanDerWaalsContact O-N 3.1Å; N325-R328 WeakPolarHBondContact OD1-CB 3.41Å
326A58Low55.2Low62 Ų62128 Ų12851%0.51264%0.636SS.*Hα-helixtrans-56.5-33.4-178.100000114.2R328 A329 I330A326-R328 VanDerWaalsContact C-N 3.3Å; A326-R328 PolarHBondContact O-N 3.14Å; A326-A329 PolarHBondContact O-N 3.46Å; A326-A329 VanDerWaalsContact O-N 3.14Å; A326-I330 PolarHBondContact O-N 3.35Å; A326-I330 VanDerWaalsContact O-N 3.14Å
327T61.5Low55.9Low108 Ų108122.7 Ų122.766%0.66362%0.623SS**Hα-helixtrans-60.4-34.8177.146.90000113.2N325 I330 Y331N325-T327 PolarHBondContact O-N 3.35Å; T327-I330 PolarHBondContact O-N 3.05Å; T327-Y331 WeakPolarHBondContact O-CB 3.47Å; T327-Y331 PolarHBondContact O-N 3.43Å
328R61.6Low56.8Low162 Ų162116.4 Ų116.461%0.61162%0.619SS**Hα-helixtrans-67.7-37.7175.5179.3175-77.7179.8-3.9111.6N325 A326 Y331 Y332N325-R328 PolarHBondContact O-N 3.41Å; N325-R328 VanDerWaalsContact O-N 3.1Å; N325-R328 WeakPolarHBondContact OD1-CB 3.41Å; A326-R328 VanDerWaalsContact C-N 3.3Å; A326-R328 PolarHBondContact O-N 3.14Å; R328-Y331 PolarHBondContact O-N 3.05Å; R328-Y332 HydrophobicContact CG-CD2 4.05Å; R328-Y332 HydrophobicContact CG-CE2 4.2Å; R328-Y332 WeakPolarHBondContact O-CD2 3.26Å; R328-Y332 PolarHBondContact O-N 3.47Å; R328-Y332 VanDerWaalsContact O-N 3.09Å
329A61.7Low57.4Low40 Ų40113.5 Ų113.533%0.33161%0.611SS.*Hα-helixtrans-65.7-42.2176.500000111.5A326 Y332 M333A326-A329 PolarHBondContact O-N 3.46Å; A326-A329 VanDerWaalsContact O-N 3.14Å; A329-Y332 PolarHBondContact O-N 3.14Å; A329-M333 PolarHBondContact O-N 2.88Å
330I67.3Low57.8Low96 Ų96111.2 Ų111.249%0.49260%0.604SS.*Hα-helixtrans-60.4-49.8174.8-63.8167.2000110.5A326 T327 Y332 M333 E334A326-I330 PolarHBondContact O-N 3.35Å; A326-I330 VanDerWaalsContact O-N 3.14Å; T327-I330 PolarHBondContact O-N 3.05Å; I330-Y332 VanDerWaalsContact C-N 3.26Å; I330-Y332 PolarHBondContact O-N 3.17Å; I330-M333 PolarHBondContact O-N 3.1Å; I330-M333 VanDerWaalsContact O-N 3.1Å; I330-E334 WeakPolarHBondContact O-CB 3.38Å; I330-E334 PolarHBondContact O-N 2.91Å
331Y61.8Low57.7Low162 Ų162111.2 Ų111.264%0.63560%0.6SS**Hα-helixtrans-62.1-30.7-179.7-164.5-96.3000113.5T327 R328 K335T327-Y331 WeakPolarHBondContact O-CB 3.47Å; T327-Y331 PolarHBondContact O-N 3.43Å; R328-Y331 PolarHBondContact O-N 3.05Å; Y331-K335 VanDerWaalsContact O-CB 3.3Å; Y331-K335 WeakPolarHBondContact O-CB 3.41Å; Y331-K335 PolarHBondContact O-N 3.18Å; Y331-K335 VanDerWaalsContact O-N 3.16Å
332Y61.3Low58.1Low148 Ų148111.8 Ų111.858%0.5861%0.611SS**Hα-helixtrans-72.4-43.1172-95.7-91.4000112.4R328 A329 I330 K335 E336R328-Y332 HydrophobicContact CG-CD2 4.05Å; R328-Y332 HydrophobicContact CG-CE2 4.2Å; R328-Y332 WeakPolarHBondContact O-CD2 3.26Å; R328-Y332 PolarHBondContact O-N 3.47Å; R328-Y332 VanDerWaalsContact O-N 3.09Å; A329-Y332 PolarHBondContact O-N 3.14Å; I330-Y332 VanDerWaalsContact C-N 3.26Å; I330-Y332 PolarHBondContact O-N 3.17Å; Y332-K335 PolarHBondContact O-N 3.5Å; Y332-E336 WeakPolarHBondContact O-CG 3.49Å; Y332-E336 PolarHBondContact O-N 3.1Å; Y332-E336 VanDerWaalsContact O-N 3.07Å
333M66.5Low57.7Low120 Ų120110.5 Ų110.559%0.59160%0.604SS**Hα-helixtrans-63.6-43.9174.5-67.7-166.7-53.100112.1A329 I330 K335 E336 L337A329-M333 PolarHBondContact O-N 2.88Å; I330-M333 PolarHBondContact O-N 3.1Å; I330-M333 VanDerWaalsContact O-N 3.1Å; M333-K335 VanDerWaalsContact C-N 3.28Å; M333-K335 PolarHBondContact O-N 3.01Å; M333-E336 PolarHBondContact O-N 2.65Å; M333-E336 VanDerWaalsContact O-N 3.16Å; M333-L337 VanDerWaalsContact O-CD1 3.24Å; M333-L337 WeakPolarHBondContact O-CD1 3.45Å; M333-L337 PolarHBondContact O-N 3Å
334E65.6Low57.3Low126 Ų126111 Ų11159%0.58960%0.6SS**Hα-helixtrans-59.8-39.5178.2-173.4173.4-161.800111.4I330 L337 A338I330-E334 WeakPolarHBondContact O-CB 3.38Å; I330-E334 PolarHBondContact O-N 2.91Å; E334-L337 PolarHBondContact O-N 2.73Å; E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.44Å; E334-A338 PolarHBondContact O-N 3.44Å
335K67.7Low56.5Low141 Ų141114.3 Ų114.361%0.61361%0.609SS**Hα-helixtrans-67.3-38174.5-174.8177.3177.5-175.10113.4Y331 Y332 M333Y331-K335 VanDerWaalsContact O-CB 3.3Å; Y331-K335 WeakPolarHBondContact O-CB 3.41Å; Y331-K335 PolarHBondContact O-N 3.18Å; Y331-K335 VanDerWaalsContact O-N 3.16Å; Y332-K335 PolarHBondContact O-N 3.5Å; M333-K335 VanDerWaalsContact C-N 3.28Å; M333-K335 PolarHBondContact O-N 3.01Å
336E57.4Low55.6Low128 Ų128113.6 Ų113.660%0.59861%0.612SS**Hα-helixtrans-67-45.4173.7-68.4-71.9128.700110.7Y332 M333 A338 S339Y332-E336 WeakPolarHBondContact O-CG 3.49Å; Y332-E336 PolarHBondContact O-N 3.1Å; Y332-E336 VanDerWaalsContact O-N 3.07Å; M333-E336 PolarHBondContact O-N 2.65Å; M333-E336 VanDerWaalsContact O-N 3.16Å; E336-A338 PolarHBondContact O-N 3.2Å; E336-S339 WeakPolarHBondContact O-CB 3.45Å; E336-S339 PolarHBondContact O-N 3.49Å; E336-S339 VanDerWaalsContact O-N 3.09Å; E336-S339 PolarHBondContact O-OG 2.94Å
337L55Low54.8Low122 Ų122118 Ų11864%0.63963%0.627SS**Hα-helixtrans-61.9-39.6176.5-92.573000112.4M333 E334 S339 L340M333-L337 VanDerWaalsContact O-CD1 3.24Å; M333-L337 WeakPolarHBondContact O-CD1 3.45Å; M333-L337 PolarHBondContact O-N 3Å; E334-L337 PolarHBondContact O-N 2.73Å; L337-S339 PolarHBondContact O-N 2.89Å; L337-S339 VanDerWaalsContact O-N 3.13Å; L337-L340 PolarHBondContact O-N 3.31Å; L337-L340 VanDerWaalsContact O-N 3.1Å
338A57.4Low53.9Low90 Ų90121.8 Ų121.874%0.74463%0.63SS**THydrogen-bonded Turntrans-65.7-11.2176.500000114.1E334 E336E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.44Å; E334-A338 PolarHBondContact O-N 3.44Å; E336-A338 PolarHBondContact O-N 3.2Å
339S53.9Low52.8Low83 Ų83118.9 Ų118.958%0.5864%0.635SS**THydrogen-bonded Turntrans-91.2-11.1174.678.60000114E336 L337 D341E336-S339 WeakPolarHBondContact O-CB 3.45Å; E336-S339 PolarHBondContact O-N 3.49Å; E336-S339 VanDerWaalsContact O-N 3.09Å; E336-S339 PolarHBondContact O-OG 2.94Å; L337-S339 PolarHBondContact O-N 2.89Å; L337-S339 VanDerWaalsContact O-N 3.13Å; S339-D341 PolarHBondContact O-N 3.15Å
340L50.5Low51.9Low115 Ų115128.6 Ų128.660%0.60266%0.663SS**  trans-89.288.9-178.2-67.1171.8000110.8L337 P342L337-L340 PolarHBondContact O-N 3.31Å; L337-L340 VanDerWaalsContact O-N 3.1Å; L340-P342 VanDerWaalsContact O-CD 3.31Å; L340-P342 WeakPolarHBondContact O-CD 3.29Å
341D41.1Very low50.6Low89 Ų89131.3 Ų131.348%0.47668%0.678SS.*  trans-64.4112.9173176.20.2000111.1S339 S343S339-D341 PolarHBondContact O-N 3.15Å; D341-S343 VanDerWaalsContact CG-OG 3.22Å; D341-S343 PolarHBondContact O-N 3.41Å; D341-S343 VanDerWaalsContact O-N 3.14Å; D341-S343 VanDerWaalsContact OD1-CB 3.27Å; D341-S343 WeakPolarHBondContact OD1-CB 3.47Å; D341-S343 PolarHBondContact OD1-N 3.38Å; D341-S343 PolarHBondContact OD1-OG 3.33Å; D341-S343 PolarHBondContact OD2-OG 2.92Å
342P50.6Low49.4Very low133 Ų133132.7 Ų132.786%0.86469%0.69SS**THydrogen-bonded Turntrans-72.9-3-176.931.7-36.3000113.6L340L340-P342 VanDerWaalsContact O-CD 3.31Å; L340-P342 WeakPolarHBondContact O-CD 3.29Å
343S42.8Very low48.2Very low90 Ų90133 Ų13363%0.62970%0.701SS**THydrogen-bonded Turntrans-86.3-2.5-179.474.60000114.8D341D341-S343 VanDerWaalsContact CG-OG 3.22Å; D341-S343 PolarHBondContact O-N 3.41Å; D341-S343 VanDerWaalsContact O-N 3.14Å; D341-S343 VanDerWaalsContact OD1-CB 3.27Å; D341-S343 WeakPolarHBondContact OD1-CB 3.47Å; D341-S343 PolarHBondContact OD1-N 3.38Å; D341-S343 PolarHBondContact OD1-OG 3.33Å; D341-S343 PolarHBondContact OD2-OG 2.92Å
344K46.2Very low46.5Very low161 Ų161135.5 Ų135.570%0.771%0.714SS**  trans-124.4110-179-85.6178176.6165.10113.9S346K344-S346 PolarHBondContact O-N 3.46Å
345P39.6Very low44.9Very low131 Ų131135 Ų13585%0.85172%0.724SS**  trans-73.9111.4167.629.6-32000110.6
346S41.4Very low43.3Very low79 Ų79134.5 Ų134.555%0.55273%0.733SS**  trans-100.9143.9168.259.50000110.5K344 Y348K344-S346 PolarHBondContact O-N 3.46Å; S346-Y348 WeakPolarHBondContact O-CD2 3.46Å; S346-Y348 PolarHBondContact O-N 3.42Å; S346-Y348 VanDerWaalsContact O-N 3.08Å
347N39.2Very low42.2Very low154 Ų154135.2 Ų135.282%0.82475%0.746SS**  trans-76.297.6-167.6-68.6-37.2000113.4S349N347-S349 VanDerWaalsContact C-N 3.32Å; N347-S349 PolarHBondContact O-N 2.79Å; N347-S349 VanDerWaalsContact O-N 3.14Å
348Y43Very low41Very low187 Ų187135.2 Ų135.273%0.73375%0.751SS**  trans-84.267.1169.8-74-87000112.3S346S346-Y348 WeakPolarHBondContact O-CD2 3.46Å; S346-Y348 PolarHBondContact O-N 3.42Å; S346-Y348 VanDerWaalsContact O-N 3.08Å
349S39.3Very low39.6Very low102 Ų102136.6 Ų136.671%0.71376%0.755SS**  trans-116.236.4-179.8-47.60000112.6N347N347-S349 VanDerWaalsContact C-N 3.32Å; N347-S349 PolarHBondContact O-N 2.79Å; N347-S349 VanDerWaalsContact O-N 3.14Å
350R42.5Very low38.3Very low244 Ų244139.7 Ų139.792%0.92177%0.765SS**SBendtrans-140.617.5-167.4-133.7-176.4-155.3-171.27.2116.5
351L40.6Very low37.3Very low152 Ų152142.5 Ų142.580%0.79678%0.775SS**SBendtrans-120.3-8.1-177.7-81.2165.1000115.2
352E35.3Very low36.7Very low191 Ų191144.7 Ų144.789%0.89379%0.786SS**SBendtrans-84.8-10.4-173.2-64.6-178129.800114.9M354E352-M354 PolarHBondContact O-N 2.97Å
353N36.1Very low35.7Very low154 Ų154143.1 Ų143.182%0.82478%0.778SS**  trans-95.955.4-171.8-159.516.4000113.6
354M31.6Very low35Very low174 Ų174145.7 Ų145.786%0.85779%0.79SS**  trans-146.665.3179.3-77.6-168.6160.800113.9E352E352-M354 PolarHBondContact O-N 2.97Å
355S32.9Very low34.3Very low115 Ų115146.7 Ų146.780%0.80480%0.797SS**  trans-177.381.3154380000115.5
356T33.8Very low34.8Very low131 Ų131144.3 Ų144.380%0.80478%0.782SS**  trans-145.586.317046.20000114.5
357V33.6Very low34.2Very low143 Ų143151.9 Ų151.987%0.86780%0.798SS**  trans-175.3155.8153.9-93.50000109.4
358T29.9Very low33.6Very low122 Ų122148.4 Ų148.475%0.74880%0.799SS**  cis-174.6143.3-32.6-95.80000107.9
359S26.8Very low33Very low118 Ų118151.8 Ų151.883%0.82581%0.81SS**  trans-140100.7159.548.50000109
360L27.7Very low32.5Very low148 Ų148151 Ų15178%0.77582%0.818SS**  75.894.870.6-169.685000113.4
361H30.1Very low31.8Very low175 Ų175143.1 Ų143.181%0.8181%0.813SS**  trans-160.6-176.1133.2-121.6-35.2000111.3
362D28.8Very low31.3Very low134 Ų134147.9 Ų147.972%0.71782%0.82SS**  trans-89.6162.7-135.8-89.1-81.6000121.1
363S27.6Very low31.5Very low100 Ų100144.2 Ų144.270%0.69981%0.813SS**  trans-64.9159.9177.663.80000117.3
364V30.1Very low31.7Very low144 Ų144142.3 Ų142.387%0.87381%0.809SS**  179.9154.7129147.10000109.8
365E30.6Very low31.5Very low182 Ų182141.9 Ų141.985%0.8581%0.807SS**  trans-134.1-174.3-159.5-133.7-171.1158.800113.6
366P49.5Very low31.5Very low82 Ų82142 Ų14253%0.53281%0.805SS.*  -123.4168.5-103.142.5-29.7000117.2
367R28.3Very low31.5Very low238 Ų238141.6 Ų141.690%0.89880%0.803SS**  trans165.4145.3140.9-91.8159.6-164.988.4-8.6112.9
368G28.7Very low31.2Very low81 Ų81143.2 Ų143.284%0.83581%0.806SS**  trans158136.6161.600000116.8
369R28.6Very low31.3Very low257 Ų257147.4 Ų147.497%0.9781%0.809SS**  trans-85.2125.7-179-79.5173.6162.9172-6.3114
370G28.5Very low31.5Very low86 Ų86149.4 Ų149.489%0.88781%0.81SS**  82.3145.2128.500000121.2
371G29.2Very low31.5Very low78 Ų78152.9 Ų152.980%0.80481%0.813SS**  trans136.268.3153.300000121.3
372R30.2Very low31.7Very low252 Ų252151 Ų15195%0.95181%0.809SS**  trans73.2162.4155-80.8-174.2173-159.8-3.1119.9
373P39.8Very low31.8Very low114 Ų114153.1 Ų153.174%0.7482%0.815SS**  trans-101.7179.9-165.944.2-37.7000112.8
374P39.6Very low32.1Very low115 Ų115153 Ų15375%0.74782%0.82SS**  cis-125.2-168.829.936.5-13.9000113.7
375M27.7Very low31.9Very low164 Ų164154.1 Ų154.181%0.80882%0.818SS**  cis-139.916015.6-77.6-84.7-80.600110.9
376P32.9Very low32.2Very low119 Ų119150.4 Ų150.477%0.77381%0.812SS**PPolyproline II helixtrans-90.4123.316711.47.5000112.1
377T33.6Very low31.3Very low122 Ų122152 Ų15275%0.74882%0.82SS**PPolyproline II helixtrans-85.6138.7161.1470000110
378L26.5Very low31.4Very low177 Ų177148 Ų14893%0.92782%0.815SS**PPolyproline II helixtrans-66.3140.3172.4-79.8158.1000110.6
379Y31.9Very low31.2Very low209 Ų209149.2 Ų149.282%0.8281%0.811SS**  trans-104.4137.6168.2-94.2-90.6000109.2
380D31.7Very low31.2Very low160 Ų160141.9 Ų141.986%0.85680%0.799SS**  trans-63.9133156.1-85.6-47.9000109.5
381R28.5Very low31.2Very low222 Ų222144.1 Ų144.184%0.83880%0.795SS**  trans-157.576.8171-168.555.4165.3135-4.9111.5
382D32.8Very low31.4Very low136 Ų136145 Ų14573%0.72779%0.789SS**  trans-70.9158165.3-88.2-45.7000112.5
383E32.5Very low31.3Very low178 Ų178141 Ų14183%0.83278%0.781SS**  trans72.1143.9161.5-71179168.200122.1
384A32.5Very low31.1Very low98 Ų98144.5 Ų144.581%0.8179%0.788SS**  trans64.589.1162.400000119.9
385M27.3Very low30.5Very low166 Ų166143 Ų14382%0.81879%0.793SS**  -154.6137.1104.9-159.964.1-148.100112.2
386S35.8Very low30.7Very low105 Ų105144.3 Ų144.373%0.73480%0.797SS**  trans-111.4106.7-178.644.70000112.5
387T31.3Very low30.5Very low115 Ų115149.3 Ų149.371%0.70680%0.801SS**  trans-147.7104.8167.639.50000113.9
388I29.1Very low30.3Very low154 Ų154150.9 Ų150.979%0.7979%0.793SS**  trans51.7103.9137.5-47176.2000118.8
389S26.4Very low30.3Very low106 Ų106147.7 Ų147.774%0.74178%0.777SS**  trans77.3170.1142.783.60000122.1
390S28Very low30.2Very low104 Ų104142.7 Ų142.773%0.72776%0.764SS**  trans75.587.9165.564.50000120.1
391V29.1Very low30Very low132 Ų132144 Ų14480%0.876%0.759SS**  45.5116113.1-179.80000119.6
392S33.4Very low30.6Very low97 Ų97139.9 Ų139.968%0.67876%0.76SS**  trans86.3165.5144.780.40000121.6
393Q26.7Very low30.6Very low167 Ų167143.9 Ų143.978%0.7877%0.765SS**  trans76.4104.3179.8-60.5178.783.400114.6
394Q35.3Very low30.3Very low189 Ų189144.9 Ų144.988%0.88377%0.769SS**  88128.663.2-82.6-174.3-13.400113.4
395G28.4Very low30.1Very low83 Ų83143.6 Ų143.686%0.85677%0.766SS**  trans-157.4110173.200000113
396Q30.2Very low30.2Very low192 Ų192139.7 Ų139.790%0.89777%0.768SS**  trans-155.9116.9164.8-162.8-174.740.400110.7
397R29.3Very low29.9Very low224 Ų224138.1 Ų138.185%0.84577%0.768SS**  trans-161.1155.2171.2-75.1-157.1179.1-167.40.2106.8
398R28.7Very low29.7Very low154 Ų154141.1 Ų141.158%0.58177%0.774SS**  cis-158-1644.4-128.1174.3152.2-133.3-8.7108.1D400R398-D400 IonicContact CZ-OD1 3.83Å; R398-D400 IonicContact CZ-OD2 2.65Å; R398-D400 IonicContact NE-OD1 3.68Å; R398-D400 IonicContact NH2-OD1 2.7Å; R398-D400 PolarHBondContact NH2-OD1 3.28Å; R398-D400 IonicContact NH2-OD2 3.98Å; R398-D400 PolarHBondContact NH2-OD2 2.58Å
399D26.6Very low29.8Very low111 Ų111141.2 Ų141.259%0.59477%0.773SS**  cis-160.1152.510-122.6-27.6000108.7
400D31Very low30Very low104 Ų104142.2 Ų142.256%0.55677%0.77SS**  cis-148.9-74.4-16.2-151.820.1000111.4R398R398-D400 IonicContact CZ-OD1 3.83Å; R398-D400 IonicContact CZ-OD2 2.65Å; R398-D400 IonicContact NE-OD1 3.68Å; R398-D400 IonicContact NH2-OD1 2.7Å; R398-D400 PolarHBondContact NH2-OD1 3.28Å; R398-D400 IonicContact NH2-OD2 3.98Å; R398-D400 PolarHBondContact NH2-OD2 2.58Å
401Y27.7Very low30.1Very low188 Ų188145.3 Ų145.374%0.73778%0.778SS**  trans-162.9155.3-160.4-99.2-81.2000112.4
402P39.5Very low30.2Very low134 Ų134150 Ų15087%0.8778%0.782SS**  -134.6-178.789.632.6-16000114.3
403R33.5Very low30.1Very low221 Ų221150 Ų15083%0.83479%0.788SS**  trans-120.6124.1-149.3-177.1-177.8-175.3174.72.7115.8
404H26.8Very low30.2Very low198 Ų198153.1 Ų153.192%0.91779%0.793SS**  trans-153.4164.8148.9-10859.9000108.2
405G28.5Very low30Very low72 Ų72148.2 Ų148.274%0.74279%0.785SS**  cis-144-88-3.500000110.5
406G29.4Very low30.3Very low83 Ų83156 Ų15686%0.85679%0.788SS**  trans-164.8175.7174.500000112.7
407G28.3Very low30.3Very low72 Ų72151.4 Ų151.474%0.74278%0.777SS**  trans114.472.7166.800000118.1
408H28.3Very low30.5Very low178 Ų178150 Ų15082%0.82478%0.782SS**  trans44.3127.7142-72.5-66.3000124
409M30.9Very low30.8Very low156 Ų156148.6 Ų148.677%0.76879%0.787SS**  trans89.6136.8138.1-69.7-66.5-173.100122.3
410N30.3Very low31.2Very low128 Ų128150.5 Ų150.568%0.68480%0.796SS**  trans72.195.5157.3-58.9-21.1000118.8
411D29.7Very low31.6Very low168 Ų168153.1 Ų153.190%0.89881%0.81SS**  trans-52.7136.7165.7-64.4-88.4000113.7
412R30.8Very low32.2Very low230 Ų230151.9 Ų151.987%0.86882%0.816SS**  trans-123.4122.1163.5-75.9-174.8172.586.2-7109.3
413A31.3Very low32.2Very low99 Ų99152.7 Ų152.782%0.81881%0.813SS**  trans-86.6118.7-174.600000113.3
414R30.6Very low32.5Very low232 Ų232149.2 Ų149.288%0.87582%0.816SS**  trans51.5108.9131.3-174.2169.7-76.1138.4-3.7118.6
415A30.1Very low33.1Very low86 Ų86143 Ų14371%0.71181%0.806SS**  trans-59.8147.6156.700000110.6
416R34.7Very low33.2Very low247 Ų247151.4 Ų151.493%0.93282%0.815SS**  cis75.3132.240.2-72-162.4172.5-166.2-2.2115.2
417S31.2Very low33.3Very low95 Ų95157.9 Ų157.966%0.66481%0.814SS**  trans-68156.5-178.6-171.60000112.8D419S417-D419 WeakPolarHBondContact CB-OD2 3.37Å; S417-D419 PolarHBondContact O-N 3.25Å; S417-D419 PolarHBondContact OG-OD2 2.92Å
418M31.8Very low33.3Very low193 Ų193164 Ų16495%0.95182%0.816SS**  trans-9172.6165.6-74.9-147.6-11700111
419D36.1Very low33.3Very low126 Ų126166.2 Ų166.267%0.67482%0.817SS**  trans-105.277.3163.8-65.8-80.2000108.4S417S417-D419 WeakPolarHBondContact CB-OD2 3.37Å; S417-D419 PolarHBondContact O-N 3.25Å; S417-D419 PolarHBondContact OG-OD2 2.92Å
420N33.8Very low33.3Very low150 Ų150163.7 Ų163.780%0.80281%0.806SS**  trans-171112.4166.7-114.9-84.7000111.1
421L39.7Very low33.3Very low160 Ų160163.1 Ų163.184%0.83880%0.803SS**  trans-146.431.3171.3-117.8173.1000113.1
422D40.6Very low33.4Very low162 Ų162163.1 Ų163.187%0.86680%0.798SS**  trans-11850.6-178.4-84.1-58.2000112.5
423D40Very low33.8Very low150 Ų150157.7 Ų157.780%0.80279%0.792SS**  trans-148.241.9173.5-140.7-11.2000115.5
424V39.6Very low35.1Very low149 Ų149158.4 Ų158.490%0.90379%0.788SS**  trans-11966.9170.6-170.90000109.7
425G39Very low35.1Very low68 Ų68155.2 Ų155.270%0.70178%0.783SS**  trans-139-10.7-170.500000118.3
426R31.3Very low34.9Very low247 Ų247161 Ų16193%0.93279%0.786SS**  trans-142.4119.8-175.6-63.8-172.4-176.9-169.72114.5
427R31.5Very low34.5Very low220 Ų220153 Ų15383%0.8378%0.781SS**  trans-143159.3156.1-79.6-161.9177.8-153.51.1110.5
428Y28.3Very low35.3Very low200 Ų200153.5 Ų153.578%0.78478%0.782SS**  trans73.494.5171-61.6-72.9000119.2
429R28.3Very low35.2Very low225 Ų225151.2 Ų151.285%0.84977%0.773SS**  -151.6112.9119.5-142.974.5-136.3-144.51.6112.9
430N30.8Very low35Very low103 Ų103153.5 Ų153.555%0.55178%0.78SS**  trans31.9121.2145.6-61.880.5000123.6
431D30.5Very low35.5Very low116 Ų116149.9 Ų149.962%0.6277%0.765SS**  64114.8120.4-56.6-57.6000125
432H30.5Very low35.1Very low168 Ų168154 Ų15478%0.77877%0.769SS**  41.7154.7124.9-60.7101.7000123.1
433P39.7Very low34.6Very low116 Ų116149.8 Ų149.875%0.75376%0.764SS**  cis-134.3-164.8-4742.5-23.4000111.5
434P59.8Low34.1Very low113 Ų113154.6 Ų154.673%0.73477%0.771SS**  trans-112.2156.8-158.440.7-35.6000119.3
435H29.6Very low33.7Very low166 Ų166159.4 Ų159.477%0.76977%0.773SS**  trans173.2166.9155.4-98.219000110.9
436R26.1Very low33.3Very low206 Ų206159.2 Ų159.278%0.77777%0.771SS**  cis-178.787.5-24.5179.1-176.4-179.4157-3.2113.3
437G26.8Very low33.3Very low79 Ų79152.3 Ų152.381%0.81476%0.761SS**  trans60.1-167.4166.200000117.7
438P46.8Very low33.4Very low106 Ų106148.7 Ų148.769%0.68876%0.758SS**  cis-135.7-155.7-17.135.1-11.8000114.1
439D31Very low33.7Very low145 Ų145146.4 Ų146.478%0.77576%0.759SS**  trans74.1143.2163-45.7-27.3000119.3
440E30.2Very low33.9Very low174 Ų174142.6 Ų142.681%0.81375%0.751SS**  cis162.6174.2-24.5-108.7-137.612000106.4
441P45.1Very low33.8Very low75 Ų75147.9 Ų147.949%0.48776%0.763SS.*  cis-142.3-178.9-35.541-23.3000116.9
442R32.1Very low33.7Very low245 Ų245146.9 Ų146.993%0.92577%0.765SS**  trans74144.9162.8-57171.4-178.61343.5118.8
443G29.8Very low33.7Very low74 Ų74144.2 Ų144.276%0.76377%0.766SS**  cis165.9145.6-16.600000118
444R28.8Very low33.2Very low252 Ų252143.8 Ų143.895%0.95177%0.766SS**  trans66.1143.8143.9-152.4178.3-166-150.93.1123
445R30.9Very low31.8Very low249 Ų249142.7 Ų142.794%0.9477%0.766SS**  trans88.2145.8163.9-153.5-177.9-153.4165.13.6115.1
446G30.9Very low31.8Very low64 Ų64146.4 Ų146.466%0.6677%0.773SS**  cis155.1143.1-12.200000113.3
447S31Very low31.9Very low102 Ų102141.9 Ų141.971%0.71377%0.774SS**  trans73.4142.1-177.2-69.30000117.9
448D34.7Very low32.1Very low145 Ų145140.7 Ų140.778%0.77576%0.761SS**  76.3146.551.3-35.2-47.2000111.6
449D34.3Very low31.4Very low151 Ų151147.2 Ų147.281%0.80777%0.774SS**  cis-140.3-153.112.542.1-144.3000111.4
450E32.2Very low31.4Very low145 Ų145147.4 Ų147.468%0.67878%0.775SS**  cis-152.8-90.45-166-158.152.400115.2
451W28.5Very low31.6Very low214 Ų214144 Ų14481%0.81176%0.762SS**  trans-148.7-172.7-158.7-96-31.3000113.1
452S29.6Very low31Very low95 Ų95150 Ų15066%0.66478%0.775SS**  cis-177.6173.7-48.9-134.50000109.5
453S28.8Very low30.9Very low113 Ų113149.9 Ų149.979%0.7978%0.775SS**  trans69.4152.9159.8-70.10000118.6
454S29.5Very low30.9Very low107 Ų107156.7 Ų156.775%0.74878%0.777SS**  cis-166.8174.5-10.552.60000112.3
455A31.6Very low31Very low90 Ų90154.8 Ų154.874%0.74477%0.77SS**  trans76.1148.8160.900000117.6
456R28.8Very low30.9Very low243 Ų243149.9 Ų149.992%0.91776%0.763SS**  cis-152.5161.52.9-140.3168.8-170.7179.73112.8
457S29.5Very low30.7Very low112 Ų112157.2 Ų157.278%0.78377%0.772SS**  trans-29.1146.5168.1-158.50000116.5
458G29.7Very low30.8Very low54 Ų54156.9 Ų156.956%0.55777%0.77SS**  cis113.4139.93.600000113.4
459Y31.7Very low31.2Very low242 Ų242155.8 Ų155.895%0.94977%0.77SS**  trans-159.7142.7159.8-97.3-68000109.6
460D31.6Very low31.1Very low149 Ų149154.7 Ų154.780%0.79776%0.764SS**  trans-148.4170.6-178.9-168.54000108.1
461D34.2Very low30.9Very low103 Ų103155.5 Ų155.555%0.55177%0.774SS**  trans104144.2-174.3-65.8-26.2000115.6
462R32.8Very low31.1Very low201 Ų201154.9 Ų154.976%0.75877%0.771SS**  cis-163.7133.9-12.4-114.1166.3-149.215824.9111.1
463R30Very low31Very low243 Ų243162.7 Ų162.792%0.91779%0.786SS**  trans163.8138.8145.7-94.3163.3-162.3-131.85.8108.4
464R30.2Very low31Very low216 Ų216160.9 Ų160.982%0.81579%0.785SS**  cis-155148.3-10.9-163179-166.6-11011.1106.3D466R464-D466 IonicContact NH1-OD2 3.94Å
465R31.6Very low31Very low212 Ų212166.6 Ų166.680%0.879%0.79SS**  trans-73.7159172.2-61.3-179.2-175.7173.51.1110.3
466D27Very low31.1Very low147 Ų147167.7 Ų167.779%0.78678%0.784SS**  -153.9170.8111.3-84.4-38.5000109.6R464R464-D466 IonicContact NH1-OD2 3.94Å
467Y28.6Very low31.3Very low218 Ų218167.3 Ų167.386%0.85578%0.782SS**  trans-110.9160.9-158.4-125.2-105.5000114.4
468S31.8Very low31.9Very low95 Ų95165.6 Ų165.666%0.66478%0.782SS**  trans-79.7169174.3-167.50000112.1
469P43Very low32.4Very low121 Ų121168.6 Ų168.679%0.78679%0.792SS**  -138173.794.138.8-26.5000115.7
470D31.6Very low32.4Very low128 Ų128166.3 Ų166.368%0.68479%0.79SS**  trans-50.6160.3-179.9-63.3-110000116.8
471D28.9Very low32.9Very low163 Ų163163.3 Ų163.387%0.87279%0.794SS**  trans-137.2147.7133.7-148.5-24.3000111.6
472R33.2Very low32.7Very low201 Ų201162.1 Ų162.176%0.75881%0.807SS**  trans-134.6108-175.3-77-174.1178.9-170.5-0.5111.9
473R28.1Very low33.3Very low259 Ų259161 Ų16198%0.97782%0.815SS**  trans158.1114.4140.1-86.7150.8-167.6-123.85.4110
474G28.8Very low33.4Very low75 Ų75157.6 Ų157.677%0.77382%0.815SS**  trans-171.768.4-178.400000117.1
475R28.7Very low33.4Very low226 Ų226150 Ų15085%0.85380%0.804SS**  trans65.8144.6159.4-83-175.7119.61162.3121.3
476D33.7Very low34.1Very low113 Ų113152 Ų15260%0.60481%0.811SS**  trans60.678.3137-52.7-21.9000120.6
477R32.4Very low34.3Very low235 Ų235156.3 Ų156.389%0.88782%0.816SS**  37.2120119.1-67.5175.7169.5166.8-4.1118.9
478G42.4Very low34.7Very low76 Ų76152.6 Ų152.678%0.78482%0.817SS**  trans-82.6155.515100000113.3
479P39.8Very low35.2Very low117 Ų117156 Ų15676%0.7682%0.821SS**  trans-106.7145134.9-3.724.2000108.8
480Q32.2Very low35Very low194 Ų194153 Ų15391%0.90780%0.803SS**  68.5123.858.7-160.1170.474.700112.1
481G42.5Very low35.6Very low86 Ų86157.3 Ų157.389%0.88781%0.81SS**  trans-75.2150.2-160.900000116
482G28.9Very low36.5Very low79 Ų79154.7 Ų154.781%0.81480%0.796SS**  trans-148.9149.4169.400000109.7
483L46.8Very low37.2Very low178 Ų178149.1 Ų149.193%0.93278%0.781SS**  trans-73.2137.1177.3-66.4152000110.1
484D30.8Very low38.1Very low171 Ų171142.7 Ų142.791%0.91477%0.766SS**  trans-160.8154.1150.8-131.5-29.8000115.6
485G30.4Very low39.2Very low56 Ų56145.2 Ų145.258%0.57776%0.759SS**  trans42.1121.915300000122.5R487G485-R487 PolarHBondContact O-N 2.98Å
486R46.1Very low39.9Very low254 Ų254138.9 Ų138.996%0.95874%0.742SS**  trans-53.1123.2150.4-75.3-176.1174.9-158-0.1109.9
487R31.8Very low40.7Very low237 Ų237137.9 Ų137.989%0.89474%0.736SS**  trans-135.4153.3158.2-70.8-168.2175.2158.83.6110.7G485G485-R487 PolarHBondContact O-N 2.98Å
488T36.4Very low41.4Very low141 Ų141130.4 Ų130.487%0.86571%0.711SS**PPolyproline II helixtrans-58.1131.2-170.446.30000113.4
489H42.2Very low41.6Very low165 Ų165134.9 Ų134.976%0.76470%0.704SS**PPolyproline II helixtrans-60.6145.8160.9-79.4-76.2000110.7D493H489-D493 IonicContact CG-OD2 3.81Å; H489-D493 IonicContact ND1-OD2 2.69Å; H489-D493 PolarHBondContact ND1-OD2 3.17Å
490S39Very low42Very low58 Ų58136 Ų13641%0.40670%0.704SS.*PPolyproline II helixtrans-78.1163.9172.3-160.40000110.7D492S490-D492 WeakPolarHBondContact CB-OD2 3.27Å; S490-D492 PolarHBondContact O-N 3.08Å; S490-D492 PolarHBondContact OG-OD2 3.1Å
491R44.9Very low42.9Very low219 Ų219135.7 Ų135.783%0.82669%0.694SS**SBendtrans-67.3-18.6172.4-173.7173.4175.2178.5-2.1112.4
492D48Very low43.2Very low108 Ų108140.2 Ų140.258%0.57869%0.685SS**SBendtrans-78.7-37.4-173.1-45-68.2000112.4S490 L494 M495S490-D492 WeakPolarHBondContact CB-OD2 3.27Å; S490-D492 PolarHBondContact O-N 3.08Å; S490-D492 PolarHBondContact OG-OD2 3.1Å; D492-L494 PolarHBondContact O-N 3.13Å; D492-M495 WeakPolarHBondContact O-CB 3.42Å; D492-M495 PolarHBondContact O-N 2.91Å
493D47Very low43.9Very low84 Ų84147 Ų14745%0.44969%0.687SS.*Hα-helixtrans-54.8-29.1179.6-57.1-15.2000113H489H489-D493 IonicContact CG-OD2 3.81Å; H489-D493 IonicContact ND1-OD2 2.69Å; H489-D493 PolarHBondContact ND1-OD2 3.17Å
494L48.2Very low43.6Very low124 Ų124141.9 Ų141.965%0.64968%0.678SS**Hα-helixtrans-79.3-24179.1-78.1164.4000113.5D492 E498D492-L494 PolarHBondContact O-N 3.13Å; L494-E498 PolarHBondContact O-N 2.88Å
495M51.2Low44Very low129 Ų129138 Ų13864%0.63568%0.678SS**Hα-helixtrans-73.5-30.4-175.8-76.6-67.5-63.100112.8D492 R499D492-M495 WeakPolarHBondContact O-CB 3.42Å; D492-M495 PolarHBondContact O-N 2.91Å; M495-R499 WeakPolarHBondContact O-CB 3.25Å; M495-R499 PolarHBondContact O-N 3.4Å; M495-R499 VanDerWaalsContact O-N 3.16Å
496D43.1Very low44.2Very low93 Ų93138.9 Ų138.950%0.49769%0.687SS.*Hα-helixtrans-77-35.7176.6-74.1-30.5000112E498 R499 D500D496-E498 VanDerWaalsContact C-N 3.29Å; D496-E498 PolarHBondContact O-N 3.46Å; D496-R499 WeakPolarHBondContact O-CA 3.31Å; D496-R499 VanDerWaalsContact O-CB 3.25Å; D496-R499 WeakPolarHBondContact O-CB 3.45Å; D496-R499 PolarHBondContact O-N 2.84Å; D496-R499 IonicContact OD1-NH1 3.54Å; D496-D500 PolarHBondContact O-N 3.26Å; D496-D500 VanDerWaalsContact O-N 3.15Å
497I50Low43.7Very low92 Ų92131.3 Ų131.347%0.47268%0.679SS.*Hα-helixtrans-63.7-34.3172.4-61.6174.8000111.7R499I497-R499 VanDerWaalsContact C-N 3.31Å
498E46.9Very low44Very low77 Ų77131.9 Ų131.936%0.3668%0.681SS.*Hα-helixtrans-70.8-27.1172.4-176.365.5-157.700112.1L494 D496 R502L494-E498 PolarHBondContact O-N 2.88Å; D496-E498 VanDerWaalsContact C-N 3.29Å; D496-E498 PolarHBondContact O-N 3.46Å; E498-R502 IonicContact OE1-CZ 3.22Å; E498-R502 IonicContact OE1-NE 2.92Å; E498-R502 PolarHBondContact OE1-NE 3.16Å; E498-R502 IonicContact OE1-NH2 2.68Å; E498-R502 PolarHBondContact OE1-NH2 3.38Å
499R47.3Very low44.4Very low171 Ų171131.2 Ų131.265%0.64568%0.682SS**Hα-helixtrans-75.8-47.5-176.3-157.7178.3-151.3148.23.5112.4M495 D496 I497 R501 R502M495-R499 WeakPolarHBondContact O-CB 3.25Å; M495-R499 PolarHBondContact O-N 3.4Å; M495-R499 VanDerWaalsContact O-N 3.16Å; D496-R499 WeakPolarHBondContact O-CA 3.31Å; D496-R499 VanDerWaalsContact O-CB 3.25Å; D496-R499 WeakPolarHBondContact O-CB 3.45Å; D496-R499 PolarHBondContact O-N 2.84Å; D496-R499 IonicContact OD1-NH1 3.54Å; I497-R499 VanDerWaalsContact C-N 3.31Å; R499-R501 PolarHBondContact O-N 3.1Å; R499-R502 PolarHBondContact O-N 3.16Å
500D47.6Very low44.1Very low140 Ų140126.7 Ų126.775%0.74968%0.68SS**Hα-helixtrans-59.6-28.4178.8-75.4-13.2000112.3D496 R502D496-D500 PolarHBondContact O-N 3.26Å; D496-D500 VanDerWaalsContact O-N 3.15Å; D500-R502 PolarHBondContact O-N 3.05Å
501R52.7Low44.1Very low188 Ų188133.7 Ų133.771%0.70970%0.697SS**THydrogen-bonded Turntrans-75.6-16.6177.2-71.1178.1174.3151.91.1114.9R499R499-R501 PolarHBondContact O-N 3.1Å
502R48Very low44.1Very low181 Ų181130.9 Ų130.968%0.68369%0.693SS**THydrogen-bonded Turntrans-99.4-8.9-171.7-71.3-175.8-176.8-142.34115.4E498 R499 D500E498-R502 IonicContact OE1-CZ 3.22Å; E498-R502 IonicContact OE1-NE 2.92Å; E498-R502 PolarHBondContact OE1-NE 3.16Å; E498-R502 IonicContact OE1-NH2 2.68Å; E498-R502 PolarHBondContact OE1-NH2 3.38Å; R499-R502 PolarHBondContact O-N 3.16Å; D500-R502 PolarHBondContact O-N 3.05Å
503Y44.3Very low43.8Very low221 Ų221131.3 Ų131.387%0.86770%0.696SS**SBendtrans-128.846.6-177.9-83-85.4000113.3
504G40.2Very low44Very low71 Ų71136.5 Ų136.573%0.73271%0.71SS**  trans-137.954.8-176.300000114.7
505G38.7Very low44.3Very low89 Ų89136.8 Ų136.892%0.91871%0.712SS**  trans-89.9117179.300000113.7
506G34Very low44.6Very low74 Ų74136.1 Ų136.176%0.76371%0.711SS**  trans133.89516000000117.3
507A36.7Very low45.6Very low96 Ų96134.9 Ų134.979%0.79371%0.71SS**  trans38.4115.9148.900000120.6
508R36.5Very low46.4Very low249 Ų249135.5 Ų135.594%0.9472%0.718SS**  -164.4161.7103.3-102159-171.2-174.82.9112G510R508-G510 PolarHBondContact O-N 3.07Å
509S46.2Very low47.3Very low127 Ų127136.9 Ų136.989%0.88873%0.727SS**  trans-71.5121.6176.3-177.50000110.1
510G36.5Very low48.4Very low69 Ų69137.1 Ų137.171%0.71173%0.728SS**  trans-129.4123.9164.700000107.3R508R508-G510 PolarHBondContact O-N 3.07Å
511R38.1Very low49.9Very low206 Ų206135 Ų13578%0.77771%0.714SS**  trans-91.5111.6179.5171.8176.1161.8155-1.1107.9D513R511-D513 IonicContact CZ-OD1 2.76Å; R511-D513 VanDerWaalsContact CZ-OD1 3.3Å; R511-D513 IonicContact NE-OD1 3.35Å; R511-D513 PolarHBondContact NE-OD1 3Å; R511-D513 IonicContact NE-OD2 3.8Å; R511-D513 IonicContact NH2-OD1 3.23Å; R511-D513 PolarHBondContact NH2-OD1 3.48Å; R511-D513 PolarHBondContact O-N 3.23Å; R511-D513 VanDerWaalsContact O-N 3.16Å
512E43.9Very low51Low160 Ų160128.7 Ų128.775%0.74870%0.702SS**  trans-7597.7169.2-66.7178.7173.900107.8Y514E512-Y514 PolarHBondContact O-N 3.09Å
513D43.6Very low52.3Low116 Ų116125.7 Ų125.762%0.6270%0.697SS**  trans-73.1115.2169.9-76.3-50.3000108.5R511R511-D513 IonicContact CZ-OD1 2.76Å; R511-D513 VanDerWaalsContact CZ-OD1 3.3Å; R511-D513 IonicContact NE-OD1 3.35Å; R511-D513 PolarHBondContact NE-OD1 3Å; R511-D513 IonicContact NE-OD2 3.8Å; R511-D513 IonicContact NH2-OD1 3.23Å; R511-D513 PolarHBondContact NH2-OD1 3.48Å; R511-D513 PolarHBondContact O-N 3.23Å; R511-D513 VanDerWaalsContact O-N 3.16Å
514Y49.3Very low53.8Low193 Ų193120.3 Ų120.376%0.75768%0.68SS**  trans-72.2142.6179.3-74.3-84.6000111.7E512 D516E512-Y514 PolarHBondContact O-N 3.09Å; Y514-D516 PolarHBondContact O-N 3.05Å
515D54.9Low55.5Low130 Ų130125 Ų12570%0.69568%0.675SS**  trans-75.681.3179.5-127.8-47.2000111.3S517 V518D515-S517 PolarHBondContact O-N 3.48Å; D515-S517 PolarHBondContact OD1-OG 3.45Å; D515-V518 PolarHBondContact O-N 3.48Å
516D58Low57.6Low115 Ų115126.9 Ų126.962%0.61566%0.659SS**Hα-helixtrans-57.4-11.7176.9-86.9-33.9000113.7Y514 V518 L519 R520Y514-D516 PolarHBondContact O-N 3.05Å; D516-V518 VanDerWaalsContact C-N 3.35Å; D516-V518 PolarHBondContact O-N 3.46Å; D516-L519 PolarHBondContact O-N 3.38Å; D516-R520 WeakPolarHBondContact O-CB 3.49Å; D516-R520 PolarHBondContact O-N 3.18Å
517S64.9Low59.8Low67 Ų67131.6 Ų131.647%0.46965%0.653SS.*Hα-helixtrans-50.8-49.1176.4550000112.6D515 R520 E521D515-S517 PolarHBondContact O-N 3.48Å; D515-S517 PolarHBondContact OD1-OG 3.45Å; S517-R520 PolarHBondContact O-N 3.29Å; S517-E521 PolarHBondContact O-N 3.05Å
518V65.6Low61.7Low105 Ų105131.6 Ų131.664%0.63664%0.639SS**Hα-helixtrans-67.5-40.2-179.5-178.80000111.5D515 D516 E521 A522D515-V518 PolarHBondContact O-N 3.48Å; D516-V518 VanDerWaalsContact C-N 3.35Å; D516-V518 PolarHBondContact O-N 3.46Å; V518-E521 PolarHBondContact O-N 3.24Å; V518-A522 WeakPolarHBondContact O-CB 3.42Å; V518-A522 PolarHBondContact O-N 3.47Å
519L66.3Low63.6Low107 Ų107120.9 Ų120.956%0.5661%0.607SS**Hα-helixtrans-68.2-38.6179-160.176.7000111.2D516 A522 M523D516-L519 PolarHBondContact O-N 3.38Å; L519-A522 PolarHBondContact O-N 2.93Å; L519-M523 WeakPolarHBondContact O-CG 3.48Å; L519-M523 PolarHBondContact O-N 3.26Å
520R71.4Confident64.9Low175 Ų175119.4 Ų119.466%0.6659%0.586SS**Hα-helixtrans-65.5-44.6175.9-154.4-174.192.91657.9111.5D516 S517 M523 E524D516-R520 WeakPolarHBondContact O-CB 3.49Å; D516-R520 PolarHBondContact O-N 3.18Å; S517-R520 PolarHBondContact O-N 3.29Å; R520-M523 PolarHBondContact O-N 2.82Å; R520-E524 WeakPolarHBondContact O-CB 3.42Å; R520-E524 PolarHBondContact O-N 2.7Å
521E78.6Confident66.6Low95 Ų95120.7 Ų120.744%0.44457%0.574SS.*Hα-helixtrans-63.7-40.6176.5-163.4-170.9164.300111.7S517 V518 M523 E524 R525S517-E521 PolarHBondContact O-N 3.05Å; V518-E521 PolarHBondContact O-N 3.24Å; E521-M523 PolarHBondContact O-N 2.91Å; E521-E524 PolarHBondContact O-N 3.43Å; E521-R525 HydrophobicContact CG-CG 4.48Å; E521-R525 WeakPolarHBondContact O-CB 3.46Å; E521-R525 VanDerWaalsContact O-CG 3.32Å; E521-R525 WeakPolarHBondContact O-CG 3.38Å; E521-R525 PolarHBondContact O-N 3.5Å; E521-R525 IonicContact OE1-CZ 3.91Å; E521-R525 IonicContact OE1-NE 3.38Å; E521-R525 PolarHBondContact OE1-NE 3.28Å; E521-R525 IonicContact OE1-NH2 3.8Å; E521-R525 PolarHBondContact OE1-NH2 2.87Å
522A75.4Confident68.1Low57 Ų57117.9 Ų117.947%0.47157%0.569SS.*Hα-helixtrans-61.4-42.4175.400000112.4V518 L519 K526V518-A522 WeakPolarHBondContact O-CB 3.42Å; V518-A522 PolarHBondContact O-N 3.47Å; L519-A522 PolarHBondContact O-N 2.93Å; A522-K526 WeakPolarHBondContact O-CB 3.34Å; A522-K526 PolarHBondContact O-N 2.77Å
523M74.9Confident69.2Low118 Ų118118.9 Ų118.958%0.58157%0.566SS**Hα-helixtrans-67-38.1174.5-73.3-165.7-71.600112.7L519 R520 E521 K526 R527L519-M523 WeakPolarHBondContact O-CG 3.48Å; L519-M523 PolarHBondContact O-N 3.26Å; R520-M523 PolarHBondContact O-N 2.82Å; E521-M523 PolarHBondContact O-N 2.91Å; M523-K526 PolarHBondContact O-N 3.14Å; M523-R527 WeakPolarHBondContact O-CB 3.46Å; M523-R527 PolarHBondContact O-N 3.28Å
524E76.2Confident70.2Confident107 Ų107115.9 Ų115.950%0.556%0.557SS.*Hα-helixtrans-67-44.8178-170.3152.5-149.600111.5R520 E521 K526 R527 L528R520-E524 WeakPolarHBondContact O-CB 3.42Å; R520-E524 PolarHBondContact O-N 2.7Å; E521-E524 PolarHBondContact O-N 3.43Å; E524-K526 PolarHBondContact O-N 2.66Å; E524-R527 PolarHBondContact O-N 3.09Å; E524-L528 WeakPolarHBondContact O-CG 3.26Å; E524-L528 PolarHBondContact O-N 3.04Å
525R76.3Confident70.7Confident169 Ų169115.2 Ų115.264%0.63855%0.553SS**Hα-helixtrans-58.7-42.8171.1-70.7174.4179.3-142.87112E521 L528 G529E521-R525 HydrophobicContact CG-CG 4.48Å; E521-R525 WeakPolarHBondContact O-CB 3.46Å; E521-R525 VanDerWaalsContact O-CG 3.32Å; E521-R525 WeakPolarHBondContact O-CG 3.38Å; E521-R525 PolarHBondContact O-N 3.5Å; E521-R525 IonicContact OE1-CZ 3.91Å; E521-R525 IonicContact OE1-NE 3.38Å; E521-R525 PolarHBondContact OE1-NE 3.28Å; E521-R525 IonicContact OE1-NH2 3.8Å; E521-R525 PolarHBondContact OE1-NH2 2.87Å; R525-L528 PolarHBondContact O-N 3.18Å; R525-G529 PolarHBondContact O-N 2.99Å; R525-G529 VanDerWaalsContact O-N 3.1Å
526K82.6Confident70.9Confident130 Ų130112.1 Ų112.157%0.56554%0.542SS*.Hα-helixtrans-63.1-46.3176.5-173.6174.7-175.1-80.10111.9A522 M523 E524 L528 G529 E530A522-K526 WeakPolarHBondContact O-CB 3.34Å; A522-K526 PolarHBondContact O-N 2.77Å; M523-K526 PolarHBondContact O-N 3.14Å; E524-K526 PolarHBondContact O-N 2.66Å; K526-L528 VanDerWaalsContact C-N 3.32Å; K526-L528 PolarHBondContact O-N 3.15Å; K526-G529 PolarHBondContact O-N 3.16Å; K526-E530 WeakPolarHBondContact CE-OE1 3.33Å; K526-E530 IonicContact NZ-OE1 3.08Å; K526-E530 PolarHBondContact NZ-OE1 2.92Å; K526-E530 IonicContact NZ-OE2 2.64Å; K526-E530 WeakPolarHBondContact O-CG 3.44Å; K526-E530 PolarHBondContact O-N 2.92Å
527R79.3Confident70.8Confident172 Ų172112.4 Ų112.465%0.64954%0.539SS*.Hα-helixtrans-60.3-39.3178.5-173.9-179-175.3-173.52.6112.3M523 E524 E530 Q531M523-R527 WeakPolarHBondContact O-CB 3.46Å; M523-R527 PolarHBondContact O-N 3.28Å; E524-R527 PolarHBondContact O-N 3.09Å; R527-E530 PolarHBondContact O-N 2.68Å; R527-Q531 PolarHBondContact O-N 3.05Å
528L76.3Confident70.3Confident96 Ų96115.1 Ų115.150%0.50354%0.544SS..Hα-helixtrans-66.9-42.4175.3-70.7168.6000111.8E524 R525 K526 E530 Q531 Q532E524-L528 WeakPolarHBondContact O-CG 3.26Å; E524-L528 PolarHBondContact O-N 3.04Å; R525-L528 PolarHBondContact O-N 3.18Å; K526-L528 VanDerWaalsContact C-N 3.32Å; K526-L528 PolarHBondContact O-N 3.15Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 3.2Å; L528-Q531 PolarHBondContact O-N 2.57Å; L528-Q532 WeakPolarHBondContact O-CG 3.41Å; L528-Q532 PolarHBondContact O-N 2.72Å
529G78.1Confident69.5Low25 Ų25118.7 Ų118.726%0.25855%0.547SS..Hα-helixtrans-63.5-34.9174.300000113.7R525 K526 R533R525-G529 PolarHBondContact O-N 2.99Å; R525-G529 VanDerWaalsContact O-N 3.1Å; K526-G529 PolarHBondContact O-N 3.16Å; G529-R533 PolarHBondContact O-N 3.38Å
530E71.9Confident68.9Low95 Ų95119.2 Ų119.244%0.44455%0.549SS..Hα-helixtrans-69.9-41173.8-73.9170.6173.400112.1K526 R527 L528 Q532 R533 A534K526-E530 WeakPolarHBondContact CE-OE1 3.33Å; K526-E530 IonicContact NZ-OE1 3.08Å; K526-E530 PolarHBondContact NZ-OE1 2.92Å; K526-E530 IonicContact NZ-OE2 2.64Å; K526-E530 WeakPolarHBondContact O-CG 3.44Å; K526-E530 PolarHBondContact O-N 2.92Å; R527-E530 PolarHBondContact O-N 2.68Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 3.2Å; E530-Q532 PolarHBondContact O-N 3.08Å; E530-R533 PolarHBondContact O-N 2.63Å; E530-A534 PolarHBondContact O-N 3.22Å
531Q72.3Confident67.9Low97 Ų97115.2 Ų115.245%0.45354%0.541SS..Hα-helixtrans-65.5-35.3172.8-77-169.6-20.500113.3R527 L528 R535R527-Q531 PolarHBondContact O-N 3.05Å; L528-Q531 PolarHBondContact O-N 2.57Å; Q531-R535 WeakPolarHBondContact O-CG 3.25Å; Q531-R535 PolarHBondContact O-N 3.32Å; Q531-R535 VanDerWaalsContact O-N 3.08Å
532Q69.8Low66.4Low146 Ų146114.1 Ų114.168%0.68254%0.544SS*.Hα-helixtrans-65.9-41.1173.4-75.6-179.2-9.300111.5L528 E530 R535 S536L528-Q532 WeakPolarHBondContact O-CG 3.41Å; L528-Q532 PolarHBondContact O-N 2.72Å; E530-Q532 PolarHBondContact O-N 3.08Å; Q532-R535 PolarHBondContact O-N 3.12Å; Q532-S536 PolarHBondContact O-N 3.22Å; Q532-S536 PolarHBondContact O-OG 3.3Å
533R67.8Low65Low182 Ų182117.1 Ų117.169%0.68755%0.548SS*.Hα-helixtrans-61.2-47.9173-80-171.9170.9109.3-2112.2G529 E530 R535 S536 Q537G529-R533 PolarHBondContact O-N 3.38Å; E530-R533 PolarHBondContact O-N 2.63Å; R533-R535 VanDerWaalsContact C-N 3.35Å; R533-R535 PolarHBondContact O-N 2.81Å; R533-S536 WeakPolarHBondContact CA-OG 3.48Å; R533-S536 PolarHBondContact O-N 3.15Å; R533-S536 VanDerWaalsContact O-N 3.08Å; R533-S536 PolarHBondContact O-OG 3.05Å; R533-Q537 PolarHBondContact O-N 3.38Å
534A63.8Low63.6Low52 Ų52114.3 Ų114.343%0.4354%0.54SS..Hα-helixtrans-55.5-47.7177.100000112.1E530 S536 Q537 E538E530-A534 PolarHBondContact O-N 3.22Å; A534-S536 VanDerWaalsContact C-N 3.32Å; A534-S536 PolarHBondContact O-N 3.19Å; A534-Q537 WeakPolarHBondContact O-CB 3.43Å; A534-Q537 PolarHBondContact O-N 3.05Å; A534-E538 PolarHBondContact O-N 3.17Å
535R59.6Low62.1Low180 Ų180115.1 Ų115.168%0.67955%0.548SS*.Hα-helixtrans-65.7-29.6176.5-73.9-179.4177174.41.6114.2Q531 Q532 R533 Q537 R539Q531-R535 WeakPolarHBondContact O-CG 3.25Å; Q531-R535 PolarHBondContact O-N 3.32Å; Q531-R535 VanDerWaalsContact O-N 3.08Å; Q532-R535 PolarHBondContact O-N 3.12Å; R533-R535 VanDerWaalsContact C-N 3.35Å; R533-R535 PolarHBondContact O-N 2.81Å; R535-Q537 VanDerWaalsContact C-N 3.3Å; R535-R539 WeakPolarHBondContact O-CB 3.35Å; R535-R539 PolarHBondContact O-N 2.93Å
536S59.9Low60.5Low64 Ų64117.2 Ų117.245%0.44856%0.556SS.*Hα-helixtrans-72-27.4172.567.50000112.3Q532 R533 A534 L540Q532-S536 PolarHBondContact O-N 3.22Å; Q532-S536 PolarHBondContact O-OG 3.3Å; R533-S536 WeakPolarHBondContact CA-OG 3.48Å; R533-S536 PolarHBondContact O-N 3.15Å; R533-S536 VanDerWaalsContact O-N 3.08Å; R533-S536 PolarHBondContact O-OG 3.05Å; A534-S536 VanDerWaalsContact C-N 3.32Å; A534-S536 PolarHBondContact O-N 3.19Å; S536-L540 WeakPolarHBondContact O-CG 3.47Å; S536-L540 PolarHBondContact O-N 2.86Å
537Q56.2Low58.4Low122 Ų122115.2 Ų115.257%0.5756%0.559SS**Hα-helixtrans-79.6-49.1179.5-163.5154.9-3.200111.6R533 A534 R535 R539 L540 D541R533-Q537 PolarHBondContact O-N 3.38Å; A534-Q537 WeakPolarHBondContact O-CB 3.43Å; A534-Q537 PolarHBondContact O-N 3.05Å; R535-Q537 VanDerWaalsContact C-N 3.3Å; Q537-R539 PolarHBondContact O-N 3.48Å; Q537-L540 WeakPolarHBondContact O-CB 3.19Å; Q537-L540 PolarHBondContact O-N 2.92Å; Q537-D541 PolarHBondContact O-N 3.37Å
538E54.3Low56.5Low123 Ų123115 Ų11558%0.57557%0.565SS**Hα-helixtrans-52.3-32.5172.4-69.5178.3126.900112.7A534 S542A534-E538 PolarHBondContact O-N 3.17Å; E538-S542 WeakPolarHBondContact O-CB 3.19Å; E538-S542 PolarHBondContact O-N 2.87Å; E538-S542 PolarHBondContact O-OG 2.84Å
539R49Very low54.7Low181 Ų181121.7 Ų121.768%0.68358%0.583SS**Hα-helixtrans-73.4-36178.4-171173.7-175134.92.2113.2R535 Q537 E543R535-R539 WeakPolarHBondContact O-CB 3.35Å; R535-R539 PolarHBondContact O-N 2.93Å; Q537-R539 PolarHBondContact O-N 3.48Å; R539-E543 PolarHBondContact O-N 3.47Å
540L53.1Low52.9Low118 Ų118123.5 Ų123.562%0.61860%0.602SS**Hα-helixtrans-69.8-44.4174.1-70.5165.9000110.4S536 Q537 S542 E543 S544S536-L540 WeakPolarHBondContact O-CG 3.47Å; S536-L540 PolarHBondContact O-N 2.86Å; Q537-L540 WeakPolarHBondContact O-CB 3.19Å; Q537-L540 PolarHBondContact O-N 2.92Å; L540-S542 PolarHBondContact O-N 3.33Å; L540-E543 PolarHBondContact O-N 2.76Å; L540-S544 PolarHBondContact O-N 2.89Å; L540-S544 VanDerWaalsContact O-N 3.11Å; L540-S544 PolarHBondContact O-OG 3.17Å
541D50.9Low51.2Low90 Ų90130.6 Ų130.648%0.48163%0.625SS.*Hα-helixtrans-57.6-40.7175.9-58.5-33.8000110.9Q537 E543 S544 D545Q537-D541 PolarHBondContact O-N 3.37Å; D541-E543 VanDerWaalsContact C-N 3.28Å; D541-E543 PolarHBondContact O-N 3.48Å; D541-S544 WeakPolarHBondContact CA-OG 3.3Å; D541-S544 PolarHBondContact O-N 2.81Å; D541-S544 PolarHBondContact O-OG 2.96Å; D541-D545 PolarHBondContact O-N 3.25Å
542S46.3Very low49.2Very low73 Ų73129.4 Ų129.451%0.5164%0.639SS.*Hα-helixtrans-66.9-18174.8-61.40000115.3E538 L540E538-S542 WeakPolarHBondContact O-CB 3.19Å; E538-S542 PolarHBondContact O-N 2.87Å; E538-S542 PolarHBondContact O-OG 2.84Å; L540-S542 PolarHBondContact O-N 3.33Å
543E46.8Very low47.5Very low119 Ų119132.1 Ų132.156%0.55665%0.651SS**Hα-helixtrans-92.6-28.7174.4-74.9-17474.900111.9R539 L540 D541 R546R539-E543 PolarHBondContact O-N 3.47Å; L540-E543 PolarHBondContact O-N 2.76Å; D541-E543 VanDerWaalsContact C-N 3.28Å; D541-E543 PolarHBondContact O-N 3.48Å; E543-R546 PolarHBondContact O-N 3.37Å
544S45.2Very low46.1Very low60 Ų60135.6 Ų135.642%0.4266%0.664SS.*Hα-helixtrans-60.6-47.9169.622.50000112.9L540 D541 R546 S547L540-S544 PolarHBondContact O-N 2.89Å; L540-S544 VanDerWaalsContact O-N 3.11Å; L540-S544 PolarHBondContact O-OG 3.17Å; D541-S544 WeakPolarHBondContact CA-OG 3.3Å; D541-S544 PolarHBondContact O-N 2.81Å; D541-S544 PolarHBondContact O-OG 2.96Å; S544-R546 PolarHBondContact O-N 2.93Å; S544-S547 WeakPolarHBondContact O-CB 3.43Å; S544-S547 PolarHBondContact O-N 3.2Å; S544-S547 PolarHBondContact O-OG 3.21Å
545D44.8Very low45.2Very low123 Ų123136.1 Ų136.166%0.65868%0.675SS**THydrogen-bonded Turntrans-57.3-25.5-179.7-81.53.7000113.6D541D541-D545 PolarHBondContact O-N 3.25Å
546R43.5Very low44.6Very low213 Ų213133.5 Ų133.580%0.80468%0.681SS**THydrogen-bonded Turntrans-84.3-14.8177.7-71.9-178.6169.6-178.8-1.7113.9E543 S544E543-R546 PolarHBondContact O-N 3.37Å; S544-R546 PolarHBondContact O-N 2.93Å
547S38.5Very low43.7Very low89 Ų89136.1 Ų136.162%0.62270%0.697SS**THydrogen-bonded Turntrans-82.7-25.2-177.272.80000113.6S544S544-S547 WeakPolarHBondContact O-CB 3.43Å; S544-S547 PolarHBondContact O-N 3.2Å; S544-S547 PolarHBondContact O-OG 3.21Å
548E38.6Very low43.1Very low166 Ų166136.2 Ų136.278%0.77671%0.708SS**G310 helixtrans-79.9-28.6-170.2-161.9168.1-144.100114G550E548-G550 PolarHBondContact O-N 3.4Å
549W38Very low42.2Very low237 Ų237138.4 Ų138.490%0.89872%0.723SS**G310 helixtrans-72.36.6179.6-74.485.7000114.7
550G40.5Very low41.7Very low63 Ų63135.5 Ų135.565%0.64973%0.728SS**G310 helixtrans-86.2-2.5-170.500000117.8E548E548-G550 PolarHBondContact O-N 3.4Å
551R37.1Very low40.8Very low244 Ų244139.3 Ų139.392%0.92174%0.744SS**SBendtrans-134.345.4-172.4-67.1-164-178.6-147.32117.5
552G30.4Very low40Very low72 Ų72142.5 Ų142.574%0.74276%0.761SS**  trans63.1130.8132.900000122.3
553Q33.9Very low39.9Very low204 Ų204143.6 Ų143.695%0.95377%0.767SS**  trans-145.6153141.2-120.5177.484.500110.2
554R38.6Very low39.4Very low254 Ų254144.2 Ų144.296%0.95878%0.781SS**PPolyproline II helixtrans-86.2116.3-176.2-76.3178.8172.2163.9-3.7111.5
555G44.5Very low38.8Very low64 Ų64147.3 Ų147.366%0.6680%0.803SS**PPolyproline II helixtrans-91.8158.1160.200000112.2
556P45.8Very low38.1Very low124 Ų124145.2 Ų145.281%0.80581%0.81SS**PPolyproline II helixtrans-71.1157.7173.330.8-34.9000112.2
557P42.3Very low37.6Very low119 Ų119143 Ų14377%0.77381%0.813SS**PPolyproline II helixtrans-76150.7-174.431.4-36.1000113.3
558P43.6Very low37.8Very low124 Ų124144.9 Ų144.981%0.80582%0.823SS**PPolyproline II helixtrans-79.1155.6176.233.4-35.6000112.7
559L34.6Very low37.4Very low170 Ų170140 Ų14089%0.8982%0.817SS**  trans-105153.5166.2-75.5173.5000110.7
560P39.8Very low37Very low120 Ų120140.4 Ų140.478%0.77982%0.818SS**  trans-89.1146.3-166.634.5-35.7000113.8
561M33.8Very low36.7Very low197 Ų197147 Ų14797%0.9782%0.824SS**  trans-146137.8159.2-106.2-166.3168.300111.7
562N33.8Very low36.5Very low157 Ų157140.1 Ų140.184%0.8481%0.805SS**  trans-170.3147.4179.8-167.356.6000108.1
563P43.6Very low36.7Very low97 Ų97142.8 Ų142.863%0.6380%0.802SS**  cis-119.7-168.3-37.739.2-25.5000110.7
564P36.2Very low36.6Very low131 Ų131142.5 Ų142.585%0.85180%0.798SS**  trans-114.7154.1143.835.5-29.3000112.3
565S33.1Very low36.9Very low125 Ų125135.6 Ų135.687%0.87479%0.787SS**  trans-108.3164.4-177.752.50000112.5
566G30.1Very low37.7Very low79 Ų79137.9 Ų137.981%0.81479%0.79SS**  trans127.887.3158.500000117.9
567I32.1Very low37.5Very low168 Ų168137.9 Ų137.986%0.86279%0.79SS**  trans-84.5151.1152.7-68.6169.7000106.5
568P43.1Very low37.4Very low127 Ų127143.5 Ų143.583%0.82580%0.796SS**  cis-125.8-176.124.218.18.7000114.5
569G30.3Very low37.8Very low64 Ų64143 Ų14366%0.6679%0.792SS**  cis151.4-176.8-0.500000111.3
570R30.7Very low38.1Very low245 Ų245140.6 Ų140.693%0.92579%0.787SS**  trans76.7145-178.5-159.7-172.9-158.5-160.45.8114.8
571R32.9Very low38.1Very low202 Ų202141 Ų14176%0.76279%0.79SS**  cis-175.1170-34.9-146.8-176.7177.6-12113107.7
572D33.9Very low38.1Very low99 Ų99141.5 Ų141.553%0.52978%0.782SS.*  trans74.5114.9155.5-49-35.5000120.9
573D33.1Very low38Very low128 Ų128139.2 Ų139.268%0.68478%0.778SS**  trans76.5105.9130.9-54.7-22.7000127.7
574F33Very low37.6Very low198 Ų198141.1 Ų141.187%0.86878%0.783SS**  trans66.5166.4132.1-75.6-80.4000121.4
575P45.3Very low37.4Very low110 Ų110142.3 Ų142.371%0.71478%0.783SS**  trans-132.6-144.7-147.538.5-14.7000113.8
576P61.4Low37.4Very low111 Ų111144.7 Ų144.772%0.72178%0.78SS**  -101.8-177.4-74.939.4-26.6000112.5
577P40Very low37.5Very low124 Ų124145.4 Ų145.481%0.80577%0.773SS**  -149.6-175.3107.738.4-21.3000115.6
578R40.7Very low37.5Very low238 Ų238143.4 Ų143.490%0.89877%0.768SS**  trans-106.6-161.7170.8-53.5-173.4-169.7-168.94.3111.1
579P52.9Low36.9Very low112 Ų112142.2 Ų142.273%0.72776%0.762SS**  -114.9172.4-10739.6-23.4000114.7
580P40.7Very low36.9Very low120 Ų120144.5 Ų144.578%0.77977%0.768SS**  trans-85.6163.3165.234.8-32.7000113
581P38.6Very low37.2Very low130 Ų130138.3 Ų138.384%0.84476%0.763SS**  trans-107.5-176.9-160.741.9-36.7000116.1
582Y35.2Very low37.3Very low206 Ų206136.7 Ų136.781%0.80876%0.764SS**  trans-76.3147.1175.7-135.4-95.9000112.8
583S30.7Very low37.2Very low109 Ų109140 Ų14076%0.76277%0.773SS**  trans-162.3128.115760.90000110.6
584D34.7Very low37.4Very low137 Ų137138.8 Ų138.873%0.73377%0.771SS**  trans-83.8144.8-174.7-49.1-97.4000113.7
585N33.8Very low37.4Very low157 Ų157136.1 Ų136.184%0.8477%0.766SS**  trans-155157.9151.559.5-7.6000115.1
586E31.9Very low36.9Very low174 Ų174139.1 Ų139.181%0.81378%0.775SS**  trans-57.6161173-68.4167.3117.500113.9
587S32.8Very low35.7Very low95 Ų95144.8 Ų144.866%0.66478%0.782SS**  cis-175.8-172.4-10.353.10000110.9
588V32.1Very low35.5Very low126 Ų126146.9 Ų146.976%0.76478%0.778SS**  trans68.5141.1161.9-119.60000122.5
589S30.5Very low35.2Very low101 Ų101143.6 Ų143.671%0.70678%0.779SS**  trans45.5109.4150.4-67.90000120.6
590S30.5Very low34.2Very low112 Ų112141.6 Ų141.678%0.78378%0.778SS**  cis91.2107.248.277.20000115.9
591S37.3Very low34Very low116 Ų116140.3 Ų140.381%0.81178%0.777SS**  trans-146.9122.4147.565.50000111.5
592Q33.7Very low33.9Very low167 Ų167140.6 Ų140.678%0.7878%0.776SS**  trans1.1148.9152.5-51.6-175.417.600118.7
593K31.7Very low33.7Very low168 Ų168135.6 Ų135.673%0.7377%0.772SS**  cis-166.1136.730.6-144.4163.3178.9170.30112.8
594T37.3Very low34.3Very low104 Ų104141.8 Ų141.864%0.63878%0.778SS**  trans29.7137.4144.667.50000120.8
595N32.9Very low34.6Very low141 Ų141144 Ų14475%0.75478%0.784SS**  cis-159.314939.3-70.6-87.3000111.9
596L35.8Very low34.7Very low174 Ų174142.2 Ų142.291%0.91178%0.784SS**  -178.6150.7113.8-101150.4000112.7
597R35.8Very low34.9Very low230 Ų230141.3 Ų141.387%0.86878%0.784SS**  trans-99.2164.2175.2-85.9-176.8168.8-176.9-2.2109.3
598K35.4Very low35Very low168 Ų168143 Ų14373%0.7379%0.79SS**  cis-174.1115-19.8167.8-175.7176.2-174.60106.5
599N33.9Very low35.1Very low169 Ų169146.6 Ų146.690%0.90481%0.812SS**  trans-79.7146159.3-70.7-12.2000108.6
600G33.4Very low35.3Very low69 Ų69148.9 Ų148.971%0.71182%0.817SS**  trans-133.9121.3-17400000112.7
601A35Very low35.5Very low93 Ų93150.8 Ų150.877%0.76982%0.819SS**  trans-153.5161.1171.200000110.4
602V36.8Very low35.4Very low136 Ų136152.8 Ų152.882%0.82482%0.819SS**  trans77.9137.6166.9-167.30000118.5
603S32.3Very low35.5Very low101 Ų101151.9 Ų151.971%0.70682%0.822SS**  trans115.3117.3163.7-66.70000112.7
604R41.9Very low35.8Very low240 Ų240150.9 Ų150.991%0.90683%0.827SS**  cis72.558.83.1-147.8-178.4-171.1175.44118.5
605E42.3Very low35.7Very low184 Ų184154.1 Ų154.186%0.8684%0.84SS**  trans-132.1157.9142.1-89.4159.3-14700105.4
606S35.7Very low35.9Very low118 Ų118155 Ų15583%0.82585%0.846SS**  cis-143.7177.14059.40000114.6
607L36.7Very low35.9Very low156 Ų156153.5 Ų153.582%0.81784%0.841SS**  trans-107.8-163.2175.9-138.8147.3000110.2
608V34.5Very low35.9Very low131 Ų131147.2 Ų147.279%0.79484%0.839SS**  trans81.7131-177-173.50000113.7
609V32.8Very low35.9Very low201 Ų201145.3 Ų145.3100%1.21885%0.849SS**  cis-99.80-3.1-178.70000110.5

Retrieved 609 of 609 residues in 814.4 ms (Link to these results)