A0A087XGQ9_POEFO Loading...

CTP synthase

Catalyzes the ATP-dependent amination of UTP to CTP with either L-glutamine or ammonia as the source of nitrogen.

AlphaFold DB , UniProt , Accession A0A087XGQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 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
1M80.3Confident93.7Very high180 Ų18026.5 Ų26.589%0.88714%0.138SC*.  0128.80-169.1-179.8-78.100107N175M1-N175 PolarHBondContact SD-ND2 3.48Å
2M95.3Very high93.4Very high14 Ų1430.5 Ų30.57%0.06916%0.158CC..  trans-59.1136.9-175.4-175.163.365.200112.2Y4 A130 K131 P141 C144M2-Y4 HydrophobicContact CB-CE2 3.98Å; M2-Y4 HydrophobicContact CG-CD1 4.32Å; M2-Y4 HydrophobicContact CG-CD2 4.27Å; M2-Y4 HydrophobicContact CG-CE1 3.74Å; M2-Y4 HydrophobicContact CG-CE2 3.66Å; M2-A130 HydrophobicContact CE-CB 4.04Å; M2-A130 WeakPolarHBondContact CE-O 3.26Å; M2-A130 HydrophobicContact CG-CB 4.19Å; M2-A130 HydrophobicContact SD-CB 4.22Å; M2-K131 HydrophobicContact CE-CG 4.43Å; M2-P141 HydrophobicContact CE-CB 4.16Å; M2-P141 WeakPolarHBondContact CE-O 3.37Å; M2-C144 HydrophobicContact SD-CB 4.01Å
3K97.9Very high92.7Very high23 Ų2335 Ų3510%0.119%0.194CC..EExtended strand (participates in β ladder)trans-107.3141.2171.6-51.9-60.9-178.6167.10109.7Q142 V143 C144 E174 N175 L271 M273K3-Q142 PolarHBondContact N-O 2.71Å; K3-V143 HydrophobicContact CB-CG2 4.29Å; K3-V143 CarbonylContact O-C 3.52Å; K3-V143 WeakPolarHBondContact O-CA 3.31Å; K3-C144 PolarHBondContact O-N 3.1Å; K3-E174 PolarHBondContact NZ-O 3.3Å; K3-N175 HydrophobicContact CD-CB 4.3Å; K3-N175 WeakPolarHBondContact CD-OD1 2.91Å; K3-N175 WeakPolarHBondContact CE-OD1 3.3Å; K3-N175 PolarHBondContact NZ-OD1 3.33Å; K3-L271 HydrophobicContact CB-CD1 4.32Å; K3-L271 HydrophobicContact CD-CB 4.31Å; K3-L271 WeakPolarHBondContact CE-O 3.42Å; K3-L271 PolarHBondContact NZ-O 2.9Å; K3-M273 HydrophobicContact CB-SD 4.26Å; K3-M273 HydrophobicContact CG-CG 3.94Å; K3-M273 HydrophobicContact CG-SD 3.94Å
4Y98.5Very high91.9Very high11 Ų1137.6 Ų37.64%0.04323%0.233CC..EExtended strand (participates in β ladder)trans-119.7127.5-178-59.9-86.6000110.1M2 V126 A130 C144 I146 F167 V171 N175 F176 C177M2-Y4 HydrophobicContact CB-CE2 3.98Å; M2-Y4 HydrophobicContact CG-CD1 4.32Å; M2-Y4 HydrophobicContact CG-CD2 4.27Å; M2-Y4 HydrophobicContact CG-CE1 3.74Å; M2-Y4 HydrophobicContact CG-CE2 3.66Å; Y4-V126 HydrophobicContact CD1-CG1 4.22Å; Y4-V126 HydrophobicContact CE1-CG1 3.99Å; Y4-A130 HydrophobicContact CE1-CB 3.67Å; Y4-C144 WeakPolarHBondContact CA-O 3.41Å; Y4-C144 HydrophobicContact CD1-CB 3.84Å; Y4-C144 HydrophobicContact CE1-CB 4.15Å; Y4-I146 HydrophobicContact CD1-CD1 3.93Å; Y4-F167 AromaticContact CD1-CE1 3.96Å; Y4-F167 HydrophobicContact CD1-CE1 3.96Å; Y4-F167 HydrophobicContact CD1-CZ 4.07Å; Y4-F167 AromaticContact CD2-CE1 3.8Å; Y4-F167 HydrophobicContact CD2-CE1 3.8Å; Y4-F167 AromaticContact CD2-CZ 4Å; Y4-F167 HydrophobicContact CD2-CZ 4Å; Y4-F167 HydrophobicContact CE1-CE1 4.24Å; Y4-F167 AromaticContact CE1-CZ 3.86Å; Y4-F167 HydrophobicContact CE1-CZ 3.86Å; Y4-F167 HydrophobicContact CE2-CE1 4.12Å; Y4-F167 AromaticContact CE2-CZ 3.82Å; Y4-F167 HydrophobicContact CE2-CZ 3.82Å; Y4-F167 AromaticContact CG-CE1 3.7Å; Y4-F167 HydrophobicContact CG-CE1 3.7Å; Y4-F167 HydrophobicContact CG-CZ 4.11Å; Y4-F167 AromaticContact CZ-CZ 3.73Å; Y4-V171 HydrophobicContact CD2-CB 4.36Å; Y4-V171 HydrophobicContact CD2-CG1 4.17Å; Y4-V171 HydrophobicContact CD2-CG2 4.25Å; Y4-V171 HydrophobicContact CE2-CB 4.31Å; Y4-V171 HydrophobicContact CE2-CG1 3.81Å; Y4-N175 PolarHBondContact N-O 2.88Å; Y4-F176 WeakPolarHBondContact O-CA 3.27Å; Y4-C177 PolarHBondContact O-N 3.19Å
5I98.6Very high91.6Very high0 Ų035.6 Ų35.60%022%0.22CC..EExtended strand (participates in β ladder)trans-115.9102.6175.1-58.8176.5000107.4V7 V24 L28 V143 C144 I146 C177 I179 L267 L271I5-V7 HydrophobicContact CG2-CG2 4.47Å; I5-V24 HydrophobicContact CD1-CG1 3.95Å; I5-V24 HydrophobicContact CG2-CG1 4.48Å; I5-L28 HydrophobicContact CD1-CD1 3.57Å; I5-V143 HydrophobicContact CD1-CG1 3.8Å; I5-V143 HydrophobicContact CG1-CG1 4.13Å; I5-C144 PolarHBondContact N-O 2.83Å; I5-I146 PolarHBondContact O-N 3.01Å; I5-C177 CarbonylContact C-O 3.44Å; I5-C177 WeakPolarHBondContact CA-O 3.45Å; I5-C177 HydrophobicContact CG1-CB 4.39Å; I5-I179 HydrophobicContact CG2-CD1 3.49Å; I5-I179 VanDerWaalsContact CG2-CD1 3.49Å; I5-I179 HydrophobicContact CG2-CG1 3.9Å; I5-L267 HydrophobicContact CD1-CD1 4.12Å; I5-L267 HydrophobicContact CD1-CD2 4.19Å; I5-L271 HydrophobicContact CD1-CD1 4.11Å; I5-L271 HydrophobicContact CG1-CD1 3.87Å
6L98.6Very high91.4Very high0 Ų035 Ų350%022%0.223CC..EExtended strand (participates in β ladder)trans-84.1126.3175.3-179.467.8000109.8T8 I146 L148 F164 F176 C177 N178 I179 L210L6-T8 HydrophobicContact CD2-CG2 3.85Å; L6-T8 HydrophobicContact CG-CG2 3.9Å; L6-I146 CarbonylContact C-O 3.53Å; L6-I146 WeakPolarHBondContact CA-O 3.37Å; L6-I146 HydrophobicContact CD1-CB 4.05Å; L6-I146 HydrophobicContact CD1-CG2 3.75Å; L6-L148 HydrophobicContact CD1-CB 4.26Å; L6-F164 HydrophobicContact CD1-CD1 4.39Å; L6-F164 HydrophobicContact CD1-CD2 3.88Å; L6-F164 HydrophobicContact CD1-CE1 4.32Å; L6-F164 HydrophobicContact CD1-CE2 3.81Å; L6-F164 HydrophobicContact CD1-CG 4.2Å; L6-F164 HydrophobicContact CD1-CZ 4.04Å; L6-F164 HydrophobicContact CD2-CB 3.81Å; L6-F164 HydrophobicContact CD2-CD1 4.29Å; L6-F164 HydrophobicContact CD2-CD2 3.94Å; L6-F164 HydrophobicContact CD2-CG 3.74Å; L6-F176 HydrophobicContact CB-CE2 3.97Å; L6-F176 HydrophobicContact CB-CZ 3.7Å; L6-F176 HydrophobicContact CD2-CZ 3.78Å; L6-F176 HydrophobicContact CG-CZ 4.39Å; L6-C177 PolarHBondContact N-O 2.76Å; L6-N178 CarbonylContact O-C 3.51Å; L6-N178 WeakPolarHBondContact O-CA 3.26Å; L6-N178 PolarHBondContact O-OD1 3.34Å; L6-I179 PolarHBondContact O-N 3.21Å; L6-L210 HydrophobicContact CD2-CD1 3.93Å
7V98.3Very high91.6Very high0 Ų033.7 Ų33.70%021%0.213CC..EExtended strand (participates in β ladder)trans-108.5117.3174.9-173.70000108.5I5 I20 A21 V145 I146 L148 I179 V181I5-V7 HydrophobicContact CG2-CG2 4.47Å; V7-I20 HydrophobicContact CG1-CG2 4.28Å; V7-A21 HydrophobicContact CB-CB 4.39Å; V7-A21 HydrophobicContact CG2-CB 3.97Å; V7-V145 HydrophobicContact CG2-CG1 4.2Å; V7-I146 PolarHBondContact N-O 3.39Å; V7-L148 PolarHBondContact O-N 3.39Å; V7-I179 CarbonylContact C-O 3.4Å; V7-I179 VanDerWaalsContact CA-O 3.31Å; V7-I179 WeakPolarHBondContact CA-O 3.35Å; V7-I179 HydrophobicContact CG2-CB 4.28Å; V7-V181 HydrophobicContact CG1-CG2 3.73Å
8T97.4Very high91.7Very high0 Ų032.1 Ų32.10%020%0.204CC..EExtended strand (participates in β ladder)trans-112.9148.4-17957.50000111.8L6 L148 I161 I179 H180 V181 L205L6-T8 HydrophobicContact CD2-CG2 3.85Å; L6-T8 HydrophobicContact CG-CG2 3.9Å; T8-L148 HydrophobicContact CG2-CD2 4.36Å; T8-I161 HydrophobicContact CG2-CD1 4.3Å; T8-I179 PolarHBondContact N-O 2.78Å; T8-I179 PolarHBondContact OG1-O 2.89Å; T8-H180 PolarHBondContact OG1-ND1 2.65Å; T8-V181 PolarHBondContact O-N 2.73Å; T8-L205 HydrophobicContact CG2-CD1 4.41Å
9G93.8Very high91.8Very high2 Ų232.1 Ų32.12%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-97141176.600000113.5V152G9-V152 WeakPolarHBondContact O-CB 3.42Å; G9-V152 WeakPolarHBondContact O-CG2 3.28Å; G9-V152 PolarHBondContact O-N 3.31Å
10G85.9Confident92Very high6 Ų630.7 Ų30.76%0.06219%0.193CC..  trans-99.8-99.7176.200000114.2T151 V181 S201G10-T151 WeakPolarHBondContact O-CB 3.09Å; G10-T151 WeakPolarHBondContact O-CG2 3.26Å; G10-V181 PolarHBondContact N-O 3.43Å; G10-S201 WeakPolarHBondContact CA-OG 3.42Å
11V86.2Confident92.3Very high55 Ų5529.2 Ų29.233%0.33318%0.184SC..SBendtrans-73.5-34.8-156.2-174.60000114.5S182 L183 P197V11-S182 WeakPolarHBondContact CG2-OG 3.48Å; V11-L183 HydrophobicContact CB-CB 4.07Å; V11-L183 HydrophobicContact CG1-CB 4.46Å; V11-L183 HydrophobicContact CG2-CB 4.32Å; V11-P197 HydrophobicContact CB-CB 4.41Å; V11-P197 HydrophobicContact CG1-CB 3.8Å; V11-P197 HydrophobicContact CG2-CB 3.62Å
12I89.9Confident93Very high75 Ų7520.7 Ų20.739%0.38514%0.142SC..  trans-143.9151.6-177.559.6166.9000110.7I15 T151 L183I12-I15 HydrophobicContact CG1-CB 4.11Å; I12-I15 HydrophobicContact CG1-CD1 4.32Å; I12-I15 HydrophobicContact CG1-CG1 4.4Å; I12-T151 VanDerWaalsContact C-CG2 3.43Å; I12-L183 HydrophobicContact CD1-CD2 3.87Å; I12-L183 HydrophobicContact CG1-CD2 4.25Å
13S83.9Confident93.1Very high89 Ų8920 Ų2062%0.62214%0.138SC*.THydrogen-bonded Turntrans-69.4157.9162.8-166.40000110.5I15S13-I15 VanDerWaalsContact C-N 3.28Å; S13-I15 PolarHBondContact O-N 3.49Å
14G82.6Confident93Very high72 Ų7218.9 Ų18.974%0.74213%0.133SC*.THydrogen-bonded Turntrans72.610.8-179.300000115.8G16G14-G16 PolarHBondContact O-N 2.92Å
15I86.6Confident92.9Very high7 Ų718.4 Ų18.44%0.03613%0.131CC..SBendtrans-65.7-9-178.6-161.9164.9000115.1I12 S13 K17 V181 L183 R218I12-I15 HydrophobicContact CG1-CB 4.11Å; I12-I15 HydrophobicContact CG1-CD1 4.32Å; I12-I15 HydrophobicContact CG1-CG1 4.4Å; S13-I15 VanDerWaalsContact C-N 3.28Å; S13-I15 PolarHBondContact O-N 3.49Å; I15-K17 HydrophobicContact CG2-CG 3.86Å; I15-V181 HydrophobicContact CD1-CG1 4.23Å; I15-V181 HydrophobicContact CG1-CG1 4.22Å; I15-V181 HydrophobicContact CG2-CB 4.38Å; I15-V181 HydrophobicContact CG2-CG1 3.71Å; I15-L183 HydrophobicContact CD1-CB 3.62Å; I15-L183 HydrophobicContact CD1-CD1 4.47Å; I15-L183 VanDerWaalsContact CD1-N 3.25Å; I15-R218 HydrophobicContact CD1-CB 4Å; I15-R218 HydrophobicContact CG1-CB 3.64Å; I15-R218 HydrophobicContact CG1-CG 3.9Å
16G89.2Confident92.6Very high26 Ų2618.4 Ų18.427%0.26813%0.131SC..SBendtrans98.130.9-176.300000114.8G14 I19 I20G14-G16 PolarHBondContact O-N 2.92Å; G16-I19 PolarHBondContact O-N 3.15Å; G16-I20 PolarHBondContact O-N 3.15Å
17K93.7Very high92.4Very high13 Ų1318.4 Ų18.46%0.05713%0.131CC..Hα-helixtrans-55.7-50.3175.1-65.4-169.5-63.8-82.50112.2I15 I19 I20 A21 E147 L148 G150I15-K17 HydrophobicContact CG2-CG 3.86Å; K17-I19 VanDerWaalsContact C-N 3.3Å; K17-I19 PolarHBondContact O-N 2.92Å; K17-I20 PolarHBondContact O-N 3.3Å; K17-I20 VanDerWaalsContact O-N 3.15Å; K17-A21 WeakPolarHBondContact O-CB 3.48Å; K17-A21 PolarHBondContact O-N 3.09Å; K17-E147 HydrophobicContact CB-CG 3.94Å; K17-E147 WeakPolarHBondContact CB-OE1 3.38Å; K17-E147 WeakPolarHBondContact CE-OE1 3.46Å; K17-L148 VanDerWaalsContact CE-O 3.25Å; K17-L148 WeakPolarHBondContact CE-O 3.45Å; K17-G150 PolarHBondContact NZ-O 3.01Å
18G93.8Very high92.2Very high4 Ų418.4 Ų18.44%0.04113%0.131CC..Hα-helixtrans-58.3-39.5179.200000113S22 E147G18-S22 WeakPolarHBondContact O-CB 3.44Å; G18-S22 PolarHBondContact O-N 2.61Å; G18-S22 PolarHBondContact O-OG 3.21Å; G18-E147 WeakPolarHBondContact CA-OE2 3.46Å
19I94.6Very high91.9Very high33 Ų3320.2 Ų20.217%0.16914%0.139CC..Hα-helixtrans-66.9-43.3176.1-60.2-61000111.4G16 K17 S23 F78 I251 V254G16-I19 PolarHBondContact O-N 3.15Å; K17-I19 VanDerWaalsContact C-N 3.3Å; K17-I19 PolarHBondContact O-N 2.92Å; I19-S23 VanDerWaalsContact O-CB 3.22Å; I19-S23 WeakPolarHBondContact O-CB 3.5Å; I19-S23 PolarHBondContact O-N 3.04Å; I19-S23 PolarHBondContact O-OG 3.34Å; I19-F78 HydrophobicContact CD1-CE2 4.45Å; I19-F78 HydrophobicContact CD1-CZ 4.22Å; I19-I251 HydrophobicContact CD1-CB 4.43Å; I19-I251 HydrophobicContact CD1-CD1 4.33Å; I19-I251 HydrophobicContact CD1-CG2 4.41Å; I19-V254 HydrophobicContact CG2-CB 4.11Å; I19-V254 HydrophobicContact CG2-CG1 4.15Å; I19-V254 HydrophobicContact CG2-CG2 3.97Å
20I96Very high91.8Very high3 Ų320.6 Ų20.62%0.01514%0.142CC..Hα-helixtrans-63.7-50176.9-80167.6000111V7 G16 K17 S22 S23 V24 I179 V181 M216 V245V7-I20 HydrophobicContact CG1-CG2 4.28Å; G16-I20 PolarHBondContact O-N 3.15Å; K17-I20 PolarHBondContact O-N 3.3Å; K17-I20 VanDerWaalsContact O-N 3.15Å; I20-S22 VanDerWaalsContact C-N 3.34Å; I20-S22 PolarHBondContact O-N 2.95Å; I20-S23 PolarHBondContact O-N 3.46Å; I20-S23 VanDerWaalsContact O-N 3.17Å; I20-V24 WeakPolarHBondContact O-CG2 3.44Å; I20-V24 PolarHBondContact O-N 3.49Å; I20-I179 HydrophobicContact CG2-CG2 4.48Å; I20-V181 HydrophobicContact CB-CG2 4.4Å; I20-V181 HydrophobicContact CD1-CB 4.22Å; I20-V181 HydrophobicContact CD1-CG1 3.45Å; I20-V181 VanDerWaalsContact CD1-CG1 3.45Å; I20-V181 HydrophobicContact CD1-CG2 3.68Å; I20-V181 HydrophobicContact CG2-CG2 4.01Å; I20-M216 HydrophobicContact CB-SD 4.26Å; I20-M216 HydrophobicContact CD1-CB 4.04Å; I20-M216 HydrophobicContact CD1-SD 4.16Å; I20-M216 HydrophobicContact CG1-SD 4.1Å; I20-M216 HydrophobicContact CG2-CE 4.29Å; I20-M216 HydrophobicContact CG2-SD 3.22Å; I20-M216 WeakPolarHBondContact CG2-SD 3.43Å; I20-V245 HydrophobicContact CD1-CG2 4.47Å
21A96.9Very high92Very high1 Ų120.8 Ų20.81%0.00814%0.142CC..Hα-helixtrans-59.2-45.9178.400000111V7 K17 S23 V24 G25 Y75 V145 E147V7-A21 HydrophobicContact CB-CB 4.39Å; V7-A21 HydrophobicContact CG2-CB 3.97Å; K17-A21 WeakPolarHBondContact O-CB 3.48Å; K17-A21 PolarHBondContact O-N 3.09Å; A21-S23 VanDerWaalsContact C-N 3.34Å; A21-S23 PolarHBondContact O-N 3.35Å; A21-V24 PolarHBondContact O-N 3.32Å; A21-G25 PolarHBondContact O-N 2.91Å; A21-Y75 HydrophobicContact CB-CE1 3.74Å; A21-V145 HydrophobicContact CB-CG1 3.83Å; A21-E147 HydrophobicContact CB-CB 4.32Å; A21-E147 HydrophobicContact CB-CG 4.49Å
22S96.1Very high92.1Very high0 Ų020.9 Ų20.90%015%0.154CC..Hα-helixtrans-61.8-40.1175.4-63.30000112.4G18 I20 G25 T26 Y75G18-S22 WeakPolarHBondContact O-CB 3.44Å; G18-S22 PolarHBondContact O-N 2.61Å; G18-S22 PolarHBondContact O-OG 3.21Å; I20-S22 VanDerWaalsContact C-N 3.34Å; I20-S22 PolarHBondContact O-N 2.95Å; S22-G25 PolarHBondContact O-N 2.96Å; S22-T26 WeakPolarHBondContact O-CB 3.04Å; S22-T26 PolarHBondContact O-N 2.86Å; S22-T26 PolarHBondContact O-OG1 3.47Å; S22-Y75 WeakPolarHBondContact OG-CD1 3.5Å; S22-Y75 VanDerWaalsContact OG-CE1 3.31Å; S22-Y75 WeakPolarHBondContact OG-CE1 3.28Å
23S96.1Very high92.2Very high0 Ų018 Ų180%014%0.139CC..Hα-helixtrans-68.1-42.1179.5-61.80000111.8I19 I20 A21 G25 T26 I27 V254 P255I19-S23 VanDerWaalsContact O-CB 3.22Å; I19-S23 WeakPolarHBondContact O-CB 3.5Å; I19-S23 PolarHBondContact O-N 3.04Å; I19-S23 PolarHBondContact O-OG 3.34Å; I20-S23 PolarHBondContact O-N 3.46Å; I20-S23 VanDerWaalsContact O-N 3.17Å; A21-S23 VanDerWaalsContact C-N 3.34Å; A21-S23 PolarHBondContact O-N 3.35Å; S23-G25 VanDerWaalsContact C-N 3.32Å; S23-G25 PolarHBondContact O-N 3.23Å; S23-T26 WeakPolarHBondContact O-CB 3.27Å; S23-T26 PolarHBondContact O-N 3.47Å; S23-I27 WeakPolarHBondContact O-CG1 3.4Å; S23-I27 PolarHBondContact O-N 3.4Å; S23-V254 WeakPolarHBondContact OG-CG1 3.41Å; S23-P255 WeakPolarHBondContact OG-CD 3.37Å
24V96.6Very high92.7Very high0 Ų015.8 Ų15.80%012%0.119CC..Hα-helixtrans-61.3-42.3172.5172.40000110.7I5 I20 A21 T26 I27 L28 I179 M216 L258 L267I5-V24 HydrophobicContact CD1-CG1 3.95Å; I5-V24 HydrophobicContact CG2-CG1 4.48Å; I20-V24 WeakPolarHBondContact O-CG2 3.44Å; I20-V24 PolarHBondContact O-N 3.49Å; A21-V24 PolarHBondContact O-N 3.32Å; V24-T26 VanDerWaalsContact C-N 3.34Å; V24-T26 PolarHBondContact O-N 2.96Å; V24-I27 WeakPolarHBondContact O-CG1 3.43Å; V24-L28 HydrophobicContact CG1-CD1 4.04Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 3.34Å; V24-I179 HydrophobicContact CG1-CD1 4.36Å; V24-I179 HydrophobicContact CG2-CD1 3.93Å; V24-M216 HydrophobicContact CG2-CE 3.96Å; V24-L258 HydrophobicContact CG2-CD1 4.11Å; V24-L267 HydrophobicContact CG1-CD1 3.87Å
25G95.6Very high93.4Very high0 Ų012.4 Ų12.40%08%0.084CC..Hα-helixtrans-61.4-42.5174.200000112.7A21 S22 S23 L28 K29A21-G25 PolarHBondContact O-N 2.91Å; S22-G25 PolarHBondContact O-N 2.96Å; S23-G25 VanDerWaalsContact C-N 3.32Å; S23-G25 PolarHBondContact O-N 3.23Å; G25-L28 PolarHBondContact O-N 2.72Å; G25-K29 WeakPolarHBondContact O-CB 3.46Å; G25-K29 PolarHBondContact O-N 2.93Å
26T94Very high93.9Very high0 Ų012 Ų120%08%0.082CC..Hα-helixtrans-64-47-179.7-56.40000112.2S22 S23 V24 L28 K29 S30 F78 P255 M282 W286S22-T26 WeakPolarHBondContact O-CB 3.04Å; S22-T26 PolarHBondContact O-N 2.86Å; S22-T26 PolarHBondContact O-OG1 3.47Å; S23-T26 WeakPolarHBondContact O-CB 3.27Å; S23-T26 PolarHBondContact O-N 3.47Å; V24-T26 VanDerWaalsContact C-N 3.34Å; V24-T26 PolarHBondContact O-N 2.96Å; T26-L28 VanDerWaalsContact C-N 3.33Å; T26-L28 PolarHBondContact O-N 3.05Å; T26-K29 PolarHBondContact O-N 3.01Å; T26-S30 WeakPolarHBondContact O-CB 3.42Å; T26-S30 PolarHBondContact O-N 3.05Å; T26-F78 PolarHBondContact OG1-O 3.41Å; T26-P255 HydrophobicContact CG2-CB 4.44Å; T26-P255 HydrophobicContact CG2-CG 4.48Å; T26-M282 HydrophobicContact CG2-CE 4.19Å; T26-W286 HydrophobicContact CG2-CD2 4.15Å; T26-W286 HydrophobicContact CG2-CH2 4.45Å; T26-W286 HydrophobicContact CG2-CZ2 3.8Å
27I93.3Very high94.3Very high0 Ų010.9 Ų10.90%07%0.07CC..Hα-helixtrans-64.4-39.1179.162.9-176.3000111.1S23 V24 S30 C31 P255 L258 V263 V264 L283S23-I27 WeakPolarHBondContact O-CG1 3.4Å; S23-I27 PolarHBondContact O-N 3.4Å; V24-I27 WeakPolarHBondContact O-CG1 3.43Å; I27-S30 PolarHBondContact O-N 3.08Å; I27-S30 PolarHBondContact O-OG 3.46Å; I27-C31 PolarHBondContact O-N 3.14Å; I27-C31 PolarHBondContact O-SG 3.31Å; I27-P255 HydrophobicContact CG2-CB 4.08Å; I27-P255 WeakPolarHBondContact CG2-O 3.37Å; I27-L258 HydrophobicContact CD1-CB 4.44Å; I27-V263 HydrophobicContact CD1-CB 4.25Å; I27-V263 HydrophobicContact CD1-CG1 3.9Å; I27-V264 HydrophobicContact CB-CG2 3.91Å; I27-V264 HydrophobicContact CD1-CG2 3.75Å; I27-V264 HydrophobicContact CG1-CG2 3.89Å; I27-L283 HydrophobicContact CG2-CD1 4.46Å
28L93.5Very high94.5Very high0 Ų010.2 Ų10.20%07%0.067CC..Hα-helixtrans-69.8-39.6177.4-67.8176.1000112I5 V24 G25 T26 S30 C31 L33 V35 V143 L267 M273 I275I5-L28 HydrophobicContact CD1-CD1 3.57Å; V24-L28 HydrophobicContact CG1-CD1 4.04Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 3.34Å; G25-L28 PolarHBondContact O-N 2.72Å; T26-L28 VanDerWaalsContact C-N 3.33Å; T26-L28 PolarHBondContact O-N 3.05Å; L28-S30 VanDerWaalsContact C-N 3.3Å; L28-S30 PolarHBondContact O-N 2.96Å; L28-C31 WeakPolarHBondContact O-CA 3.17Å; L28-C31 VanDerWaalsContact O-CB 3.27Å; L28-C31 WeakPolarHBondContact O-CB 3.5Å; L28-C31 PolarHBondContact O-N 2.92Å; L28-L33 HydrophobicContact CB-CD1 4.32Å; L28-L33 HydrophobicContact CD2-CD1 4.16Å; L28-L33 PolarHBondContact O-N 2.93Å; L28-V35 HydrophobicContact CB-CG2 3.95Å; L28-V143 HydrophobicContact CD1-CG1 3.97Å; L28-L267 HydrophobicContact CD1-CD1 4.29Å; L28-L267 HydrophobicContact CD2-CD1 4.28Å; L28-M273 HydrophobicContact CD2-CE 3.96Å; L28-I275 HydrophobicContact CD2-CD1 4.18Å
29K92Very high94.7Very high39 Ų3910.3 Ų10.317%0.177%0.066CC..Hα-helixtrans-64.1-37.4173.1-167.4167.3-176.6166.90111.7G25 T26 C31 G32 L33 V35 L79 D80 D135 M282G25-K29 WeakPolarHBondContact O-CB 3.46Å; G25-K29 PolarHBondContact O-N 2.93Å; T26-K29 PolarHBondContact O-N 3.01Å; K29-C31 PolarHBondContact O-N 3.37Å; K29-G32 PolarHBondContact O-N 3Å; K29-L33 WeakPolarHBondContact CA-O 3.36Å; K29-V35 HydrophobicContact CB-CG2 4.23Å; K29-L79 HydrophobicContact CD-CB 4.44Å; K29-L79 WeakPolarHBondContact CD-O 3.5Å; K29-L79 VanDerWaalsContact CE-O 3.23Å; K29-L79 WeakPolarHBondContact CE-O 3.37Å; K29-L79 PolarHBondContact NZ-O 2.89Å; K29-D80 PolarHBondContact NZ-O 3.05Å; K29-D135 IonicContact NZ-OD1 3.92Å; K29-D135 PolarHBondContact NZ-OD1 2.82Å; K29-M282 HydrophobicContact CB-SD 4.43Å; K29-M282 HydrophobicContact CG-SD 4.31Å
30S90.5Very high94.8Very high10 Ų108.8 Ų8.87%0.076%0.058CC..Hα-helixtrans-64.6-19.1173.2860000113.7T26 I27 L28 G32T26-S30 WeakPolarHBondContact O-CB 3.42Å; T26-S30 PolarHBondContact O-N 3.05Å; I27-S30 PolarHBondContact O-N 3.08Å; I27-S30 PolarHBondContact O-OG 3.46Å; L28-S30 VanDerWaalsContact C-N 3.3Å; L28-S30 PolarHBondContact O-N 2.96Å; S30-G32 VanDerWaalsContact C-N 3.28Å
31C90.8Very high94.8Very high9 Ų98.9 Ų8.96%0.0616%0.059CC..THydrogen-bonded Turntrans-85.44.9172.3-65.90000113.3I27 L28 K29 I275I27-C31 PolarHBondContact O-N 3.14Å; I27-C31 PolarHBondContact O-SG 3.31Å; L28-C31 WeakPolarHBondContact O-CA 3.17Å; L28-C31 VanDerWaalsContact O-CB 3.27Å; L28-C31 WeakPolarHBondContact O-CB 3.5Å; L28-C31 PolarHBondContact O-N 2.92Å; K29-C31 PolarHBondContact O-N 3.37Å; C31-I275 HydrophobicContact CB-CD1 4.5Å; C31-I275 HydrophobicContact CB-CG2 3.71Å
32G89.3Confident94.6Very high57 Ų579.4 Ų9.459%0.5886%0.062SC*.THydrogen-bonded Turntrans83.115.8178.900000114.6K29 S30K29-G32 PolarHBondContact O-N 3Å; S30-G32 VanDerWaalsContact C-N 3.28Å
33L92Very high94.4Very high14 Ų1410.5 Ų10.57%0.0737%0.067CC..  trans-89.8143.4175.4-60.7173.9000111L28 K29 V35 V143 M273 I275L28-L33 HydrophobicContact CB-CD1 4.32Å; L28-L33 HydrophobicContact CD2-CD1 4.16Å; L28-L33 PolarHBondContact O-N 2.93Å; K29-L33 WeakPolarHBondContact CA-O 3.36Å; L33-V35 HydrophobicContact CB-CG2 4.37Å; L33-V143 HydrophobicContact CD1-CG2 4.09Å; L33-M273 HydrophobicContact CD1-SD 4.17Å; L33-I275 HydrophobicContact CD1-CD1 4.46Å; L33-I275 HydrophobicContact CD1-CG1 4.3Å
34H94.2Very high94.3Very high44 Ų4416.6 Ų16.620%0.20410%0.098CC..  trans-77123.8166.9-67.5-78.7000109.9D135 D137 Q142 V143H34-D135 IonicContact CG-OD2 3.93Å; H34-D135 IonicContact ND1-OD2 2.74Å; H34-D135 PolarHBondContact ND1-OD2 3.14Å; H34-D137 IonicContact CE1-OD1 2.76Å; H34-D137 IonicContact CE1-OD2 3.17Å; H34-D137 PolarHBondContact CE1-OD2 2.85Å; H34-D137 IonicContact ND1-OD2 3.3Å; H34-D137 IonicContact NE2-OD2 3.44Å; H34-Q142 PolarHBondContact O-N 3.08Å; H34-V143 PolarHBondContact O-N 2.91Å; H34-V143 VanDerWaalsContact O-N 3.12Å
35V96Very high94.1Very high0 Ų019.5 Ų19.50%011%0.113CC..EExtended strand (participates in β ladder)trans-125.5129.3-173.8-173.80000110.4L28 K29 L33 L79 V143 V145L28-V35 HydrophobicContact CB-CG2 3.95Å; K29-V35 HydrophobicContact CB-CG2 4.23Å; L33-V35 HydrophobicContact CB-CG2 4.37Å; V35-L79 HydrophobicContact CB-CD2 3.97Å; V35-L79 HydrophobicContact CG1-CD2 3.62Å; V35-V143 WeakPolarHBondContact CA-O 3.41Å; V35-V143 HydrophobicContact CG2-CB 4.38Å; V35-V145 HydrophobicContact CG1-CG2 3.95Å
36T97.8Very high93.9Very high0 Ų023.2 Ų23.20%013%0.132CC..EExtended strand (participates in β ladder)trans-112.8163.9169.2-169.10000111.2A130 V134 P141 V143 C144 V145T36-A130 WeakPolarHBondContact CG2-O 3.19Å; T36-V134 WeakPolarHBondContact OG1-CG1 3.41Å; T36-P141 HydrophobicContact CG2-CB 3.81Å; T36-P141 HydrophobicContact CG2-CG 3.9Å; T36-V143 PolarHBondContact N-O 3.41Å; T36-C144 HydrophobicContact CG2-CB 3.79Å; T36-C144 WeakPolarHBondContact O-CA 3.36Å; T36-V145 PolarHBondContact O-N 3.25Å
37A98.1Very high93.6Very high1 Ų125.6 Ų25.61%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-128.1140.7179.100000111.3Y75 L83 N87 V145A37-Y75 HydrophobicContact CB-CD1 3.93Å; A37-Y75 HydrophobicContact CB-CD2 4.03Å; A37-Y75 HydrophobicContact CB-CG 3.69Å; A37-L83 HydrophobicContact CB-CD2 4.44Å; A37-N87 PolarHBondContact O-ND2 3.33Å; A37-V145 CarbonylContact C-O 3.28Å; A37-V145 VanDerWaalsContact CA-O 3.25Å; A37-V145 WeakPolarHBondContact CA-O 3.37Å
38I98.3Very high93.3Very high0 Ų025.7 Ų25.70%015%0.146CC..EExtended strand (participates in β ladder)trans-126.3124.6170.1-62.4175.9000107.9I40 N87 V126 Q129 V145 I146 E147I38-I40 HydrophobicContact CG2-CG1 4.23Å; I38-N87 WeakPolarHBondContact CA-O 3.12Å; I38-V126 HydrophobicContact CD1-CB 4.48Å; I38-V126 HydrophobicContact CD1-CG1 4.24Å; I38-Q129 HydrophobicContact CD1-CB 3.9Å; I38-Q129 HydrophobicContact CD1-CG 4.16Å; I38-Q129 HydrophobicContact CG1-CG 4.27Å; I38-V145 PolarHBondContact N-O 3.41Å; I38-I146 HydrophobicContact CB-CG1 4.44Å; I38-I146 CarbonylContact O-C 3.57Å; I38-I146 VanDerWaalsContact O-CA 3.3Å; I38-I146 WeakPolarHBondContact O-CA 3.13Å; I38-E147 PolarHBondContact O-N 3.39Å
39K97.4Very high92.9Very high6 Ų626.5 Ų26.53%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-98.6129.4171.8-177.365.7158.893.70108.7D41 D71 L72 Y75 N87 L89 E147K39-D41 WeakPolarHBondContact CE-OD1 3.49Å; K39-D41 IonicContact NZ-OD1 2.86Å; K39-D41 PolarHBondContact NZ-OD1 3.49Å; K39-D71 HydrophobicContact CD-CB 4.26Å; K39-D71 WeakPolarHBondContact CE-OD2 3.47Å; K39-D71 IonicContact NZ-OD2 2.69Å; K39-L72 HydrophobicContact CB-CD1 3.54Å; K39-L72 HydrophobicContact CB-CG 4.22Å; K39-L72 HydrophobicContact CG-CD1 3.81Å; K39-Y75 HydrophobicContact CB-CE2 4.3Å; K39-Y75 HydrophobicContact CD-CE2 4.37Å; K39-N87 PolarHBondContact N-O 2.61Å; K39-L89 PolarHBondContact O-N 3.01Å; K39-E147 HydrophobicContact CD-CB 3.92Å; K39-E147 VanDerWaalsContact CD-CD 3.46Å; K39-E147 HydrophobicContact CD-CG 4.2Å; K39-E147 WeakPolarHBondContact CD-OE2 3.3Å; K39-E147 VanDerWaalsContact CE-OE1 3.26Å; K39-E147 WeakPolarHBondContact CE-OE1 3.39Å; K39-E147 WeakPolarHBondContact CE-OE2 3.25Å; K39-E147 IonicContact NZ-OE1 2.7Å; K39-E147 PolarHBondContact NZ-OE1 3.18Å; K39-E147 VanDerWaalsContact NZ-OE1 3.16Å; K39-E147 IonicContact NZ-OE2 2.77Å
40I97.3Very high92.5Very high0 Ų029.7 Ų29.70%018%0.177CC..EExtended strand (participates in β ladder)trans-110.2118.8173.5-59.3177.1000108I38 L89 I146 E147 L148 G149 F160 F164I38-I40 HydrophobicContact CG2-CG1 4.23Å; I40-L89 CarbonylContact C-O 3.52Å; I40-L89 VanDerWaalsContact CA-O 3.3Å; I40-L89 WeakPolarHBondContact CA-O 3.37Å; I40-L89 HydrophobicContact CD1-CD2 4.41Å; I40-L89 HydrophobicContact CG1-CB 4.16Å; I40-L89 HydrophobicContact CG1-CD2 4.26Å; I40-I146 HydrophobicContact CD1-CG2 3.7Å; I40-I146 HydrophobicContact CG1-CG2 4.21Å; I40-E147 PolarHBondContact N-O 3.36Å; I40-L148 HydrophobicContact CB-CD1 3.92Å; I40-L148 HydrophobicContact CG2-CD1 3.61Å; I40-G149 WeakPolarHBondContact O-CA 3.47Å; I40-G149 PolarHBondContact O-N 3.29Å; I40-F160 HydrophobicContact CG2-CD1 3.38Å; I40-F160 HydrophobicContact CG2-CD2 4.23Å; I40-F160 HydrophobicContact CG2-CE1 3.39Å; I40-F160 HydrophobicContact CG2-CE2 4.24Å; I40-F160 HydrophobicContact CG2-CG 3.82Å; I40-F160 HydrophobicContact CG2-CZ 3.83Å; I40-F164 HydrophobicContact CD1-CE2 3.41Å; I40-F164 VanDerWaalsContact CD1-CE2 3.41Å; I40-F164 HydrophobicContact CD1-CZ 3.44Å; I40-F164 VanDerWaalsContact CD1-CZ 3.44Å
41D94.8Very high92.1Very high6 Ų630.2 Ų30.23%0.03218%0.178CC..EExtended strand (participates in β ladder)trans-109.3121177.7-63.2-48.1000110.5K39 Y43 N88 L89 T90 T91K39-D41 WeakPolarHBondContact CE-OD1 3.49Å; K39-D41 IonicContact NZ-OD1 2.86Å; K39-D41 PolarHBondContact NZ-OD1 3.49Å; D41-Y43 HydrophobicContact CB-CD1 3.63Å; D41-Y43 HydrophobicContact CB-CE1 3.29Å; D41-Y43 HydrophobicContact CB-CE2 4.34Å; D41-Y43 HydrophobicContact CB-CG 4.27Å; D41-Y43 PolarHBondContact O-N 3.46Å; D41-N88 PolarHBondContact OD2-ND2 3.38Å; D41-L89 PolarHBondContact N-O 3.34Å; D41-T90 HydrophobicContact CB-CG2 4.38Å; D41-T90 VanDerWaalsContact O-CA 3.3Å; D41-T90 WeakPolarHBondContact O-CA 3.4Å; D41-T91 PolarHBondContact O-N 3.46Å
42P93.4Very high91.5Very high11 Ų1131.9 Ų31.97%0.07119%0.189CC..  trans-76.3-5.4-173.431.8-36.2000113.5T91 E156 F160P42-T91 VanDerWaalsContact C-OG1 3.27Å; P42-T91 PolarHBondContact O-OG1 3.1Å; P42-E156 HydrophobicContact CB-CB 3.72Å; P42-F160 HydrophobicContact CB-CD2 4.48Å; P42-F160 HydrophobicContact CB-CE2 4.12Å
43Y91.9Very high90.9Very high24 Ų2430 Ų309%0.09417%0.167CC..SBendtrans-66.8158.1176.163.3-117.1000112.9D41 N45 F51 T90 T91D41-Y43 HydrophobicContact CB-CD1 3.63Å; D41-Y43 HydrophobicContact CB-CE1 3.29Å; D41-Y43 HydrophobicContact CB-CE2 4.34Å; D41-Y43 HydrophobicContact CB-CG 4.27Å; D41-Y43 PolarHBondContact O-N 3.46Å; Y43-N45 HydrophobicContact CD2-CB 3.71Å; Y43-N45 WeakPolarHBondContact CD2-O 3.42Å; Y43-N45 HydrophobicContact CE2-CB 3.81Å; Y43-N45 VanDerWaalsContact CE2-O 3.31Å; Y43-N45 WeakPolarHBondContact CE2-O 3.33Å; Y43-F51 HydrophobicContact CD1-CE2 4.31Å; Y43-F51 HydrophobicContact CD1-CZ 4.04Å; Y43-F51 AromaticContact CD2-CZ 3.88Å; Y43-F51 HydrophobicContact CD2-CZ 3.88Å; Y43-F51 AromaticContact CE1-CE2 3.82Å; Y43-F51 HydrophobicContact CE1-CE2 3.82Å; Y43-F51 AromaticContact CE1-CZ 3.98Å; Y43-F51 HydrophobicContact CE1-CZ 3.98Å; Y43-F51 HydrophobicContact CE2-CE2 4.06Å; Y43-F51 AromaticContact CE2-CZ 3.82Å; Y43-F51 HydrophobicContact CE2-CZ 3.82Å; Y43-F51 HydrophobicContact CG-CZ 4.01Å; Y43-F51 AromaticContact CZ-CE2 3.7Å; Y43-F51 AromaticContact CZ-CZ 3.89Å; Y43-T90 HydrophobicContact CD2-CG2 4.33Å; Y43-T90 HydrophobicContact CE2-CG2 3.52Å; Y43-T91 VanDerWaalsContact O-CB 3.3Å; Y43-T91 WeakPolarHBondContact O-CB 3.43Å; Y43-T91 PolarHBondContact O-N 2.85Å
44I93.7Very high90Very high128 Ų12833.4 Ų33.466%0.65618%0.18SC*.SBendtrans-80.8-26.9-174.1-63.6175.3000113I46 G92I44-I46 PolarHBondContact O-N 3.18Å; I44-G92 WeakPolarHBondContact O-CA 3.23Å; I44-G92 PolarHBondContact O-N 3.23Å
45N92.4Very high89Confident60 Ų6038.3 Ų38.332%0.32120%0.203SC..  trans-52140.2177.2-6360.9000111.5Y43 D47 T50 F51 T90Y43-N45 HydrophobicContact CD2-CB 3.71Å; Y43-N45 WeakPolarHBondContact CD2-O 3.42Å; Y43-N45 HydrophobicContact CE2-CB 3.81Å; Y43-N45 VanDerWaalsContact CE2-O 3.31Å; Y43-N45 WeakPolarHBondContact CE2-O 3.33Å; N45-D47 WeakPolarHBondContact CB-O 3.41Å; N45-T50 PolarHBondContact ND2-OG1 3.25Å; N45-F51 HydrophobicContact CB-CE1 3.9Å; N45-F51 HydrophobicContact CB-CZ 3.81Å; N45-F51 WeakPolarHBondContact ND2-CE1 3.35Å; N45-F51 WeakPolarHBondContact OD1-CE1 3.36Å; N45-T90 WeakPolarHBondContact O-CB 3.27Å; N45-T90 PolarHBondContact O-OG1 3.17Å
46I90.8Very high87.9Confident78 Ų7842.5 Ų42.540%0.422%0.222SC..SBendtrans-69.9-39.3179.5-68.7173.2000110I44 T90 K93I44-I46 PolarHBondContact O-N 3.18Å; I46-T90 PolarHBondContact O-OG1 3.32Å; I46-K93 HydrophobicContact CG2-CG 3.9Å; I46-K93 WeakPolarHBondContact O-CE 3.36Å; I46-K93 WeakPolarHBondContact O-CG 3.4Å
47D88.1Confident87.1Confident51 Ų5142.9 Ų42.927%0.27323%0.226SC..SBendtrans-143.5176179.658.149.8000110.1N45 G49 E67N45-D47 WeakPolarHBondContact CB-O 3.41Å; D47-G49 PolarHBondContact OD1-N 3.27Å; D47-E67 WeakPolarHBondContact CB-O 3.43Å
48A86.9Confident86.6Confident2 Ų243.9 Ų43.92%0.01723%0.23CC..SBendtrans-87.1-5.1178.600000113.3T50 F51 V59 E67 V68A48-T50 PolarHBondContact O-N 2.57Å; A48-T50 VanDerWaalsContact O-N 3.11Å; A48-F51 HydrophobicContact CB-CD2 3.78Å; A48-F51 HydrophobicContact CB-CE2 4.16Å; A48-F51 WeakPolarHBondContact O-CB 3.38Å; A48-F51 PolarHBondContact O-N 2.76Å; A48-V59 HydrophobicContact CB-CG1 4.33Å; A48-V59 VanDerWaalsContact O-CG2 3.22Å; A48-V59 WeakPolarHBondContact O-CG2 3.43Å; A48-E67 PolarHBondContact N-O 3.34Å; A48-V68 VanDerWaalsContact CB-C 3.45Å
49G85.8Confident86.2Confident16 Ų1644.4 Ų44.417%0.16523%0.234CC..THydrogen-bonded Turntrans-63.5-25.3-16900000114.1D47 E67 R480D47-G49 PolarHBondContact OD1-N 3.27Å; G49-E67 VanDerWaalsContact CA-CD 3.45Å; G49-E67 VanDerWaalsContact CA-OE1 3.29Å; G49-E67 WeakPolarHBondContact CA-OE1 3.23Å; G49-R480 PolarHBondContact O-NH2 3.4Å
50T83.6Confident86.1Confident106 Ų10644.1 Ų44.165%0.6523%0.233SC*.THydrogen-bonded Turntrans-92-4.1179.255.20000114.2N45 A48N45-T50 PolarHBondContact ND2-OG1 3.25Å; A48-T50 PolarHBondContact O-N 2.57Å; A48-T50 VanDerWaalsContact O-N 3.11Å
51F80.8Confident86Confident22 Ų2244.1 Ų44.110%0.09623%0.233CC..  trans-71.8145-179.8-71.8-35.6000112.8Y43 N45 A48 H56Y43-F51 HydrophobicContact CD1-CE2 4.31Å; Y43-F51 HydrophobicContact CD1-CZ 4.04Å; Y43-F51 AromaticContact CD2-CZ 3.88Å; Y43-F51 HydrophobicContact CD2-CZ 3.88Å; Y43-F51 AromaticContact CE1-CE2 3.82Å; Y43-F51 HydrophobicContact CE1-CE2 3.82Å; Y43-F51 AromaticContact CE1-CZ 3.98Å; Y43-F51 HydrophobicContact CE1-CZ 3.98Å; Y43-F51 HydrophobicContact CE2-CE2 4.06Å; Y43-F51 AromaticContact CE2-CZ 3.82Å; Y43-F51 HydrophobicContact CE2-CZ 3.82Å; Y43-F51 HydrophobicContact CG-CZ 4.01Å; Y43-F51 AromaticContact CZ-CE2 3.7Å; Y43-F51 AromaticContact CZ-CZ 3.89Å; N45-F51 HydrophobicContact CB-CE1 3.9Å; N45-F51 HydrophobicContact CB-CZ 3.81Å; N45-F51 WeakPolarHBondContact ND2-CE1 3.35Å; N45-F51 WeakPolarHBondContact OD1-CE1 3.36Å; A48-F51 HydrophobicContact CB-CD2 3.78Å; A48-F51 HydrophobicContact CB-CE2 4.16Å; A48-F51 WeakPolarHBondContact O-CB 3.38Å; A48-F51 PolarHBondContact O-N 2.76Å; F51-H56 HydrophobicContact CB-CB 4.34Å; F51-H56 AromaticContact CD1-CD2 3.94Å; F51-H56 HydrophobicContact CD2-CB 3.69Å; F51-H56 AromaticContact CE1-CD2 3.83Å; F51-H56 HydrophobicContact CE2-CB 4.09Å; F51-H56 AromaticContact CE2-CG 3.97Å; F51-H56 HydrophobicContact CG-CB 4.03Å; F51-H56 AromaticContact CZ-CD2 3.94Å
52S78.3Confident86Confident43 Ų4343.9 Ų43.930%0.30123%0.231SC..  trans-72.5131.4163.3177.10000109.2Y54 E55S52-Y54 PolarHBondContact O-N 3.01Å; S52-Y54 PolarHBondContact OG-N 3.3Å; S52-E55 PolarHBondContact O-N 3.28Å
53P77.9Confident86.1Confident19 Ų1944.6 Ų44.612%0.12324%0.235CC..THydrogen-bonded Turntrans-58.8-13.7175-27.135.3000115.4G57 Y308 S314 F374P53-G57 WeakPolarHBondContact CA-O 3.48Å; P53-G57 WeakPolarHBondContact O-CA 3.46Å; P53-Y308 HydrophobicContact CB-CD1 4.15Å; P53-Y308 HydrophobicContact CB-CE1 4.21Å; P53-Y308 HydrophobicContact CB-CG 4.4Å; P53-Y308 HydrophobicContact CG-CE1 4.33Å; P53-Y308 HydrophobicContact CG-CE2 4.43Å; P53-S314 PolarHBondContact O-OG 3.33Å; P53-F374 HydrophobicContact CG-CE1 4.22Å
54Y73.7Confident86.1Confident85 Ų8546.7 Ų46.733%0.33325%0.247SC..THydrogen-bonded Turntrans-81.6-21.1175.2-74.1-57.5000114.2S52 K307 Y308 F311 R377S52-Y54 PolarHBondContact O-N 3.01Å; S52-Y54 PolarHBondContact OG-N 3.3Å; Y54-K307 PolarHBondContact OH-O 2.71Å; Y54-K307 VanDerWaalsContact OH-O 3.06Å; Y54-Y308 AromaticContact CD1-CD1 3.86Å; Y54-Y308 HydrophobicContact CD1-CD1 3.86Å; Y54-Y308 AromaticContact CD2-CD1 3.66Å; Y54-Y308 HydrophobicContact CD2-CD1 3.66Å; Y54-Y308 AromaticContact CD2-CE1 3.65Å; Y54-Y308 HydrophobicContact CD2-CE1 3.65Å; Y54-Y308 AromaticContact CE1-CD1 3.5Å; Y54-Y308 HydrophobicContact CE1-CD1 3.5Å; Y54-Y308 VanDerWaalsContact CE1-CD1 3.5Å; Y54-Y308 HydrophobicContact CE1-CE1 4.4Å; Y54-Y308 HydrophobicContact CE1-CG 4.26Å; Y54-Y308 AromaticContact CE2-CD1 3.28Å; Y54-Y308 HydrophobicContact CE2-CD1 3.28Å; Y54-Y308 AromaticContact CE2-CE1 3.33Å; Y54-Y308 HydrophobicContact CE2-CE1 3.33Å; Y54-Y308 AromaticContact CG-CD1 3.94Å; Y54-Y308 HydrophobicContact CG-CD1 3.94Å; Y54-Y308 HydrophobicContact CG-CE1 4.32Å; Y54-Y308 AromaticContact CZ-CD1 3.18Å; Y54-Y308 AromaticContact CZ-CE1 3.75Å; Y54-F311 AromaticContact CD1-CD2 3.73Å; Y54-F311 HydrophobicContact CD1-CD2 3.73Å; Y54-F311 HydrophobicContact CD1-CE2 4.26Å; Y54-F311 HydrophobicContact CE1-CD2 4.25Å; Y54-R377 PolarHBondContact OH-NH2 3.46Å
55E71.5Confident86Confident147 Ų14741.3 Ų41.369%0.68722%0.224SC*.THydrogen-bonded Turntrans-95.8-52.4-174.1-68.2-179.1171.700111.5S52S52-E55 PolarHBondContact O-N 3.28Å
56H72.6Confident86Confident87 Ų8738.8 Ų38.840%0.40321%0.211SC..SBendtrans-115.49.9-173.4-80.4-80.2000113.4F51F51-H56 HydrophobicContact CB-CB 4.34Å; F51-H56 AromaticContact CD1-CD2 3.94Å; F51-H56 HydrophobicContact CD2-CB 3.69Å; F51-H56 AromaticContact CE1-CD2 3.83Å; F51-H56 HydrophobicContact CE2-CB 4.09Å; F51-H56 AromaticContact CE2-CG 3.97Å; F51-H56 HydrophobicContact CG-CB 4.03Å; F51-H56 AromaticContact CZ-CD2 3.94Å
57G81.8Confident86.1Confident9 Ų936.6 Ų36.69%0.09320%0.199CC..  trans77.4-167.2-17600000112.8P53P53-G57 WeakPolarHBondContact CA-O 3.48Å; P53-G57 WeakPolarHBondContact O-CA 3.46Å
58E87.1Confident86.4Confident21 Ų2134.1 Ų34.110%0.09819%0.186CC..PPolyproline II helixtrans-64.4142-179.2-178.7-175.1-158.600113.1L70 D313 S317E58-L70 HydrophobicContact CB-CD1 4.39Å; E58-D313 PolarHBondContact N-O 3.45Å; E58-D313 VanDerWaalsContact N-O 3.13Å; E58-S317 WeakPolarHBondContact OE1-CB 2.92Å; E58-S317 WeakPolarHBondContact OE2-CA 3.46Å; E58-S317 WeakPolarHBondContact OE2-CB 3.48Å; E58-S317 PolarHBondContact OE2-N 3.4Å; E58-S317 PolarHBondContact OE2-OG 3.32Å
59V91.2Very high86.5Confident12 Ų1235 Ų357%0.07319%0.19CC..PPolyproline II helixtrans-76.8121.6168.9-179.60000109.5A48 E67 F530A48-V59 HydrophobicContact CB-CG1 4.33Å; A48-V59 VanDerWaalsContact O-CG2 3.22Å; A48-V59 WeakPolarHBondContact O-CG2 3.43Å; V59-E67 HydrophobicContact CG1-CB 3.81Å; V59-E67 HydrophobicContact CG1-CG 4.27Å; V59-F530 WeakPolarHBondContact O-CZ 3.35Å
60F94.3Very high86.6Confident0 Ų035.4 Ų35.40%019%0.189CC..EExtended strand (participates in β ladder)trans-90.3137.5174.4-168.2-99.5000110.3L62 V68 L72 G73 E76 R478 F530F60-L62 HydrophobicContact CD1-CD2 3.88Å; F60-L62 HydrophobicContact CE1-CD2 3.72Å; F60-V68 HydrophobicContact CB-CG2 4.09Å; F60-V68 HydrophobicContact CD1-CG2 3.97Å; F60-V68 PolarHBondContact N-O 2.88Å; F60-V68 WeakPolarHBondContact O-CG2 3.35Å; F60-V68 PolarHBondContact O-N 3.15Å; F60-L72 HydrophobicContact CD1-CB 4.48Å; F60-G73 VanDerWaalsContact CE2-CA 3.5Å; F60-G73 VanDerWaalsContact CZ-CA 3.46Å; F60-E76 HydrophobicContact CE1-CG 4.42Å; F60-R478 VanDerWaalsContact CE1-NH1 3.34Å; F60-F530 AromaticContact CD2-CD1 3.45Å; F60-F530 HydrophobicContact CD2-CD1 3.45Å; F60-F530 VanDerWaalsContact CD2-CD1 3.45Å; F60-F530 AromaticContact CD2-CE1 3.93Å; F60-F530 HydrophobicContact CD2-CE1 3.93Å; F60-F530 HydrophobicContact CD2-CG 4.24Å; F60-F530 HydrophobicContact CE2-CB 3.9Å; F60-F530 AromaticContact CE2-CD1 3.54Å; F60-F530 HydrophobicContact CE2-CD1 3.54Å; F60-F530 HydrophobicContact CE2-CE1 4.45Å; F60-F530 HydrophobicContact CE2-CG 4.05Å; F60-F530 HydrophobicContact CG-CD1 4.33Å; F60-F530 HydrophobicContact CZ-CB 4.13Å; F60-F530 HydrophobicContact CZ-CD1 4.48Å
61V94.9Very high86.8Confident0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-110135.1-178.9-176.80000109.8G66 R478 R480 F530V61-G66 WeakPolarHBondContact CA-O 3.25Å; V61-R478 HydrophobicContact CG1-CB 4.41Å; V61-R478 WeakPolarHBondContact O-CD 3.41Å; V61-R478 PolarHBondContact O-NE 3.14Å; V61-R478 PolarHBondContact O-NH1 3Å; V61-R480 HydrophobicContact CG2-CB 3.95Å; V61-R480 HydrophobicContact CG2-CG 4.15Å; V61-F530 HydrophobicContact CB-CD2 3.86Å; V61-F530 HydrophobicContact CB-CE2 3.66Å; V61-F530 HydrophobicContact CB-CZ 4.42Å; V61-F530 HydrophobicContact CG2-CD2 4.31Å; V61-F530 HydrophobicContact CG2-CE2 3.59Å; V61-F530 HydrophobicContact CG2-CZ 4.08Å
62L95.6Very high87.4Confident0 Ų031.4 Ų31.40%016%0.164CC..  trans-97.2168.5177.6-61.4178.5000112.2F60 D64 G65 G66 V68 L72 E76 L83 T84F60-L62 HydrophobicContact CD1-CD2 3.88Å; F60-L62 HydrophobicContact CE1-CD2 3.72Å; L62-D64 WeakPolarHBondContact CB-OD1 3.15Å; L62-D64 PolarHBondContact O-N 2.94Å; L62-G65 PolarHBondContact O-N 3.19Å; L62-G65 VanDerWaalsContact O-N 3.09Å; L62-G66 PolarHBondContact N-O 3.17Å; L62-V68 HydrophobicContact CD1-CB 4.49Å; L62-V68 HydrophobicContact CD1-CG1 3.75Å; L62-V68 HydrophobicContact CD1-CG2 3.94Å; L62-V68 HydrophobicContact CD2-CG2 4.16Å; L62-V68 HydrophobicContact CG-CG1 4.33Å; L62-V68 HydrophobicContact CG-CG2 3.8Å; L62-L72 HydrophobicContact CD1-CD2 4.16Å; L62-E76 WeakPolarHBondContact CD2-OE1 3.48Å; L62-L83 HydrophobicContact CD1-CB 4.37Å; L62-L83 HydrophobicContact CD2-CB 4.1Å; L62-T84 VanDerWaalsContact CD1-O 3.25Å; L62-T84 WeakPolarHBondContact CD1-O 3.18Å
63D94.8Very high88.1Confident27 Ų2729.3 Ų29.314%0.14415%0.15CC..THydrogen-bonded Turntrans-59.2-35.7-178.8-86.927.3000112.6G65 R82 K453 R478D63-G65 PolarHBondContact O-N 3.19Å; D63-R82 IonicContact OD1-NH1 3.07Å; D63-R82 WeakPolarHBondContact OD2-CD 3.24Å; D63-R82 IonicContact OD2-CZ 3.9Å; D63-R82 IonicContact OD2-NE 3.07Å; D63-R82 IonicContact OD2-NH1 2.62Å; D63-R82 PolarHBondContact OD2-NH1 3.13Å; D63-K453 HydrophobicContact CB-CB 4.19Å; D63-K453 WeakPolarHBondContact O-CB 3.17Å; D63-K453 PolarHBondContact O-N 2.92Å; D63-K453 WeakPolarHBondContact OD2-CD 3.34Å; D63-K453 WeakPolarHBondContact OD2-CE 3.11Å; D63-K453 IonicContact OD2-NZ 3.83Å; D63-K453 PolarHBondContact OD2-NZ 2.98Å; D63-R478 IonicContact OD1-CZ 3.89Å; D63-R478 IonicContact OD1-NE 3.88Å; D63-R478 PolarHBondContact OD1-NE 3.37Å; D63-R478 IonicContact OD1-NH2 3.13Å; D63-R478 PolarHBondContact OD1-NH2 3.28Å
64D93.3Very high88.8Confident68 Ų6829.6 Ų29.636%0.36415%0.15SC..THydrogen-bonded Turntrans-84.67.9-179.670.4-17.4000113.8L62 G66 T84 K85L62-D64 WeakPolarHBondContact CB-OD1 3.15Å; L62-D64 PolarHBondContact O-N 2.94Å; D64-G66 VanDerWaalsContact C-N 3.33Å; D64-G66 PolarHBondContact OD1-N 3.04Å; D64-G66 VanDerWaalsContact OD1-N 3.11Å; D64-T84 WeakPolarHBondContact OD2-CB 3.27Å; D64-K85 PolarHBondContact OD1-N 2.75Å; D64-K85 WeakPolarHBondContact OD2-CB 3.42Å; D64-K85 VanDerWaalsContact OD2-CG 3.27Å; D64-K85 WeakPolarHBondContact OD2-CG 3.44Å; D64-K85 PolarHBondContact OD2-N 3.27Å
65G91.8Very high89.9Confident15 Ų1525.6 Ų25.616%0.15514%0.135CC..  trans81.87.1-178.700000114.5L62 D63 E67 G452L62-G65 PolarHBondContact O-N 3.19Å; L62-G65 VanDerWaalsContact O-N 3.09Å; D63-G65 PolarHBondContact O-N 3.19Å; G65-E67 PolarHBondContact O-N 2.67Å; G65-G452 VanDerWaalsContact CA-CA 3.46Å
66G91.9Very high91Very high6 Ų618.6 Ų18.66%0.06210%0.102CC..  trans-59.9126.3171.800000112.3V61 L62 D64V61-G66 WeakPolarHBondContact CA-O 3.25Å; L62-G66 PolarHBondContact N-O 3.17Å; D64-G66 VanDerWaalsContact C-N 3.33Å; D64-G66 PolarHBondContact OD1-N 3.04Å; D64-G66 VanDerWaalsContact OD1-N 3.11Å
67E92.9Very high92Very high32 Ų3214.9 Ų14.915%0.158%0.084CC..EExtended strand (participates in β ladder)trans-93.5111.9170.2-63-177.194.300108.8D47 A48 G49 V59 G65 L451 R480D47-E67 WeakPolarHBondContact CB-O 3.43Å; A48-E67 PolarHBondContact N-O 3.34Å; G49-E67 VanDerWaalsContact CA-CD 3.45Å; G49-E67 VanDerWaalsContact CA-OE1 3.29Å; G49-E67 WeakPolarHBondContact CA-OE1 3.23Å; V59-E67 HydrophobicContact CG1-CB 3.81Å; V59-E67 HydrophobicContact CG1-CG 4.27Å; G65-E67 PolarHBondContact O-N 2.67Å; E67-L451 HydrophobicContact CG-CD2 4.05Å; E67-R480 IonicContact OE1-CZ 3.24Å; E67-R480 IonicContact OE1-NE 2.82Å; E67-R480 PolarHBondContact OE1-NE 3.41Å; E67-R480 IonicContact OE1-NH2 3.78Å; E67-R480 PolarHBondContact OE1-NH2 3.08Å
68V92.9Very high92.6Very high0 Ų014.7 Ų14.70%08%0.081CC..EExtended strand (participates in β ladder)trans-132166-167.9-61.20000111.5A48 F60 L62 L72 N88A48-V68 VanDerWaalsContact CB-C 3.45Å; F60-V68 HydrophobicContact CB-CG2 4.09Å; F60-V68 HydrophobicContact CD1-CG2 3.97Å; F60-V68 PolarHBondContact N-O 2.88Å; F60-V68 WeakPolarHBondContact O-CG2 3.35Å; F60-V68 PolarHBondContact O-N 3.15Å; L62-V68 HydrophobicContact CD1-CB 4.49Å; L62-V68 HydrophobicContact CD1-CG1 3.75Å; L62-V68 HydrophobicContact CD1-CG2 3.94Å; L62-V68 HydrophobicContact CD2-CG2 4.16Å; L62-V68 HydrophobicContact CG-CG1 4.33Å; L62-V68 HydrophobicContact CG-CG2 3.8Å; V68-L72 HydrophobicContact CB-CD1 4.18Å; V68-L72 HydrophobicContact CB-CD2 3.97Å; V68-L72 HydrophobicContact CB-CG 4.45Å; V68-L72 HydrophobicContact CG1-CD2 4.14Å; V68-L72 HydrophobicContact CG2-CB 3.78Å; V68-L72 HydrophobicContact CG2-CD1 4.33Å; V68-L72 HydrophobicContact CG2-CD2 3.83Å; V68-L72 HydrophobicContact CG2-CG 4.18Å; V68-N88 HydrophobicContact CB-CB 4.09Å; V68-N88 HydrophobicContact CG1-CB 3.61Å
69D89.5Confident92.8Very high19 Ų1913.7 Ų13.710%0.1028%0.077CC..  trans-59.3149.5174.4-174.9-96.6000112D71 L72D69-D71 PolarHBondContact O-N 3.41Å; D69-D71 VanDerWaalsContact O-N 3.16Å; D69-D71 VanDerWaalsContact OD1-CB 3.28Å; D69-D71 WeakPolarHBondContact OD1-CB 3.46Å; D69-D71 PolarHBondContact OD1-N 3.19Å; D69-L72 HydrophobicContact CB-CD1 4.38Å; D69-L72 PolarHBondContact O-N 3.01Å; D69-L72 VanDerWaalsContact O-N 3.11Å
70L87.3Confident92.9Very high25 Ų2517.8 Ų17.813%0.13110%0.098CC..THydrogen-bonded Turntrans-57.3-29.5-178.2-179.466.4000113E58 L72 G73 A316E58-L70 HydrophobicContact CB-CD1 4.39Å; L70-L72 PolarHBondContact O-N 3.46Å; L70-G73 WeakPolarHBondContact O-CA 3.43Å; L70-G73 PolarHBondContact O-N 3.45Å; L70-A316 HydrophobicContact CD1-CB 3.96Å; L70-A316 HydrophobicContact CD2-CB 3.42Å; L70-A316 VanDerWaalsContact CD2-CB 3.42Å; L70-A316 HydrophobicContact CG-CB 4.29Å
71D88.2Confident92.8Very high44 Ų4417.9 Ų17.924%0.23510%0.099CC..Hα-helixtrans-59.5-28.5179.3-79.3-30.9000112.4K39 D69 G73 N74 Y75K39-D71 HydrophobicContact CD-CB 4.26Å; K39-D71 WeakPolarHBondContact CE-OD2 3.47Å; K39-D71 IonicContact NZ-OD2 2.69Å; D69-D71 PolarHBondContact O-N 3.41Å; D69-D71 VanDerWaalsContact O-N 3.16Å; D69-D71 VanDerWaalsContact OD1-CB 3.28Å; D69-D71 WeakPolarHBondContact OD1-CB 3.46Å; D69-D71 PolarHBondContact OD1-N 3.19Å; D71-G73 PolarHBondContact O-N 2.94Å; D71-N74 WeakPolarHBondContact O-CB 3.45Å; D71-N74 PolarHBondContact O-N 2.88Å; D71-N74 PolarHBondContact OD1-ND2 3.46Å; D71-Y75 WeakPolarHBondContact O-CD2 3.16Å; D71-Y75 PolarHBondContact O-N 2.8Å
72L93.9Very high92.8Very high0 Ų023.4 Ų23.40%012%0.119CC..Hα-helixtrans-64.8-30.6174.7-79.782.7000112.9K39 F60 L62 V68 D69 L70 N74 Y75 E76 L83 N87 N88K39-L72 HydrophobicContact CB-CD1 3.54Å; K39-L72 HydrophobicContact CB-CG 4.22Å; K39-L72 HydrophobicContact CG-CD1 3.81Å; F60-L72 HydrophobicContact CD1-CB 4.48Å; L62-L72 HydrophobicContact CD1-CD2 4.16Å; V68-L72 HydrophobicContact CB-CD1 4.18Å; V68-L72 HydrophobicContact CB-CD2 3.97Å; V68-L72 HydrophobicContact CB-CG 4.45Å; V68-L72 HydrophobicContact CG1-CD2 4.14Å; V68-L72 HydrophobicContact CG2-CB 3.78Å; V68-L72 HydrophobicContact CG2-CD1 4.33Å; V68-L72 HydrophobicContact CG2-CD2 3.83Å; V68-L72 HydrophobicContact CG2-CG 4.18Å; D69-L72 HydrophobicContact CB-CD1 4.38Å; D69-L72 PolarHBondContact O-N 3.01Å; D69-L72 VanDerWaalsContact O-N 3.11Å; L70-L72 PolarHBondContact O-N 3.46Å; L72-N74 PolarHBondContact O-N 3.38Å; L72-Y75 HydrophobicContact CG-CD2 4.49Å; L72-Y75 PolarHBondContact O-N 3.37Å; L72-E76 PolarHBondContact O-N 3.14Å; L72-E76 VanDerWaalsContact O-N 3.12Å; L72-L83 HydrophobicContact CB-CD1 4.3Å; L72-L83 HydrophobicContact CD2-CD1 4.09Å; L72-L83 HydrophobicContact CG-CD1 4.21Å; L72-N87 HydrophobicContact CD2-CB 4.43Å; L72-N88 HydrophobicContact CD1-CB 4.14Å; L72-N88 HydrophobicContact CD2-CB 3.77Å
73G93.4Very high92.9Very high0 Ų023.5 Ų23.50%012%0.12CC..Hα-helixtrans-64.6-29.4172.400000112.7F60 L70 D71 R77F60-G73 VanDerWaalsContact CE2-CA 3.5Å; F60-G73 VanDerWaalsContact CZ-CA 3.46Å; L70-G73 WeakPolarHBondContact O-CA 3.43Å; L70-G73 PolarHBondContact O-N 3.45Å; D71-G73 PolarHBondContact O-N 2.94Å; G73-R77 VanDerWaalsContact O-CB 3.28Å; G73-R77 WeakPolarHBondContact O-CB 3.26Å; G73-R77 WeakPolarHBondContact O-CD 3.41Å; G73-R77 WeakPolarHBondContact O-CG 2.95Å; G73-R77 PolarHBondContact O-N 2.74Å; G73-R77 VanDerWaalsContact O-N 3.08Å; G73-R77 PolarHBondContact O-NH1 2.85Å
74N92.9Very high92.9Very high24 Ų2424 Ų2413%0.12812%0.124CC..Hα-helixtrans-67.5-44.6174.7-65.6-38000110.9D71 L72 R77 F78D71-N74 WeakPolarHBondContact O-CB 3.45Å; D71-N74 PolarHBondContact O-N 2.88Å; D71-N74 PolarHBondContact OD1-ND2 3.46Å; L72-N74 PolarHBondContact O-N 3.38Å; N74-R77 PolarHBondContact O-N 3.08Å; N74-F78 WeakPolarHBondContact O-CB 3.33Å; N74-F78 VanDerWaalsContact O-CD2 3.3Å; N74-F78 WeakPolarHBondContact O-CD2 3.5Å; N74-F78 PolarHBondContact O-N 3.07Å
75Y95.3Very high93Very high2 Ų225.5 Ų25.51%0.00813%0.127CC..Hα-helixtrans-60-50.4177.4-61-51.5000112.1A21 S22 A37 K39 D71 L72 R77 F78 L79 L83 E147A21-Y75 HydrophobicContact CB-CE1 3.74Å; S22-Y75 WeakPolarHBondContact OG-CD1 3.5Å; S22-Y75 VanDerWaalsContact OG-CE1 3.31Å; S22-Y75 WeakPolarHBondContact OG-CE1 3.28Å; A37-Y75 HydrophobicContact CB-CD1 3.93Å; A37-Y75 HydrophobicContact CB-CD2 4.03Å; A37-Y75 HydrophobicContact CB-CG 3.69Å; K39-Y75 HydrophobicContact CB-CE2 4.3Å; K39-Y75 HydrophobicContact CD-CE2 4.37Å; D71-Y75 WeakPolarHBondContact O-CD2 3.16Å; D71-Y75 PolarHBondContact O-N 2.8Å; L72-Y75 HydrophobicContact CG-CD2 4.49Å; L72-Y75 PolarHBondContact O-N 3.37Å; Y75-R77 VanDerWaalsContact C-N 3.28Å; Y75-R77 PolarHBondContact O-N 2.96Å; Y75-F78 PolarHBondContact O-N 2.85Å; Y75-L79 HydrophobicContact CD1-CD1 4.44Å; Y75-L79 WeakPolarHBondContact O-CB 2.95Å; Y75-L79 WeakPolarHBondContact O-CD1 3.43Å; Y75-L79 PolarHBondContact O-N 3.12Å; Y75-L83 HydrophobicContact CD2-CD1 4.36Å; Y75-E147 WeakPolarHBondContact OH-CB 3.31Å; Y75-E147 PolarHBondContact OH-OE2 3.01Å
76E95.7Very high93.2Very high0 Ų027.1 Ų27.10%013%0.132CC..Hα-helixtrans-58.6-40.8177.7-81.1-148.3170.300112.5F60 L62 L72 D80 I81 R82 L83 R478 R533F60-E76 HydrophobicContact CE1-CG 4.42Å; L62-E76 WeakPolarHBondContact CD2-OE1 3.48Å; L72-E76 PolarHBondContact O-N 3.14Å; L72-E76 VanDerWaalsContact O-N 3.12Å; E76-D80 VanDerWaalsContact O-CA 3.31Å; E76-D80 WeakPolarHBondContact O-CA 3.4Å; E76-D80 PolarHBondContact O-N 2.72Å; E76-D80 VanDerWaalsContact O-N 3.09Å; E76-I81 WeakPolarHBondContact CG-O 3.4Å; E76-I81 PolarHBondContact O-N 3.35Å; E76-R82 WeakPolarHBondContact OE1-CA 3.29Å; E76-L83 HydrophobicContact CG-CB 4.44Å; E76-L83 HydrophobicContact CG-CD1 4.33Å; E76-L83 HydrophobicContact CG-CG 4.1Å; E76-L83 PolarHBondContact OE1-N 2.91Å; E76-R478 VanDerWaalsContact CD-NH2 3.31Å; E76-R478 IonicContact OE1-CZ 2.88Å; E76-R478 IonicContact OE1-NH1 3.84Å; E76-R478 IonicContact OE1-NH2 3.57Å; E76-R478 PolarHBondContact OE1-NH2 2.86Å; E76-R478 IonicContact OE2-CZ 3.87Å; E76-R478 VanDerWaalsContact OE2-CZ 3.24Å; E76-R478 IonicContact OE2-NH1 3.59Å; E76-R478 PolarHBondContact OE2-NH1 3.45Å; E76-R478 IonicContact OE2-NH2 3.93Å; E76-R478 PolarHBondContact OE2-NH2 3.06Å; E76-R533 WeakPolarHBondContact O-CD 3.35Å; E76-R533 PolarHBondContact O-NE 3.44Å; E76-R533 IonicContact OE2-CZ 3.66Å; E76-R533 IonicContact OE2-NH1 3.93Å; E76-R533 IonicContact OE2-NH2 3.71Å; E76-R533 PolarHBondContact OE2-NH2 3.47Å
77R94.3Very high93.5Very high8 Ų826.8 Ų26.83%0.0313%0.129CC..Hα-helixtrans-69.6-43.1-179.6-75.1171.7-171119.32.5113.7G73 N74 Y75 S317 E529 S532 P534G73-R77 VanDerWaalsContact O-CB 3.28Å; G73-R77 WeakPolarHBondContact O-CB 3.26Å; G73-R77 WeakPolarHBondContact O-CD 3.41Å; G73-R77 WeakPolarHBondContact O-CG 2.95Å; G73-R77 PolarHBondContact O-N 2.74Å; G73-R77 VanDerWaalsContact O-N 3.08Å; G73-R77 PolarHBondContact O-NH1 2.85Å; N74-R77 PolarHBondContact O-N 3.08Å; Y75-R77 VanDerWaalsContact C-N 3.28Å; Y75-R77 PolarHBondContact O-N 2.96Å; R77-S317 PolarHBondContact NH2-OG 3.23Å; R77-E529 PolarHBondContact NH2-O 3.07Å; R77-S532 WeakPolarHBondContact CG-O 3.41Å; R77-P534 VanDerWaalsContact O-CD 3.26Å; R77-P534 WeakPolarHBondContact O-CD 3.22Å
78F93.3Very high93.7Very high5 Ų525.3 Ų25.32%0.02212%0.122CC..Hα-helixtrans-80.3-45-174.6-87.2-117.4000111.8I19 T26 N74 Y75 I251 Y252 P255 W286I19-F78 HydrophobicContact CD1-CE2 4.45Å; I19-F78 HydrophobicContact CD1-CZ 4.22Å; T26-F78 PolarHBondContact OG1-O 3.41Å; N74-F78 WeakPolarHBondContact O-CB 3.33Å; N74-F78 VanDerWaalsContact O-CD2 3.3Å; N74-F78 WeakPolarHBondContact O-CD2 3.5Å; N74-F78 PolarHBondContact O-N 3.07Å; Y75-F78 PolarHBondContact O-N 2.85Å; F78-I251 HydrophobicContact CE2-CD1 4.02Å; F78-I251 HydrophobicContact CZ-CB 4.35Å; F78-I251 HydrophobicContact CZ-CD1 3.91Å; F78-I251 HydrophobicContact CZ-CG1 4.06Å; F78-Y252 HydrophobicContact CE2-CE1 4.35Å; F78-Y252 HydrophobicContact CZ-CD1 4.22Å; F78-Y252 HydrophobicContact CZ-CE1 4.38Å; F78-P255 HydrophobicContact CD1-CG 4.42Å; F78-P255 HydrophobicContact CE1-CG 4.28Å; F78-W286 HydrophobicContact CB-CH2 4.25Å; F78-W286 HydrophobicContact CB-CZ2 4.46Å; F78-W286 AromaticContact CD1-CH2 3.42Å; F78-W286 HydrophobicContact CD1-CH2 3.42Å; F78-W286 VanDerWaalsContact CD1-CH2 3.42Å; F78-W286 HydrophobicContact CD1-CZ2 4.3Å; F78-W286 AromaticContact CD1-CZ3 3.98Å; F78-W286 HydrophobicContact CD1-CZ3 3.98Å; F78-W286 HydrophobicContact CD2-CH2 4.35Å; F78-W286 AromaticContact CE1-CH2 3.75Å; F78-W286 HydrophobicContact CE1-CH2 3.75Å; F78-W286 AromaticContact CE1-CZ3 3.89Å; F78-W286 HydrophobicContact CE1-CZ3 3.89Å; F78-W286 AromaticContact CG-CH2 3.76Å; F78-W286 HydrophobicContact CG-CH2 3.76Å; F78-W286 HydrophobicContact CG-CZ2 4.44Å; F78-W286 HydrophobicContact CZ-CH2 4.34Å; F78-W286 WeakPolarHBondContact O-CZ2 3.47Å
79L92Very high93.9Very high1 Ų125.3 Ų25.31%0.00512%0.122CC..Hα-helixtrans-86-12.2-176.8-71.978.6000112.3K29 V35 Y75 I81K29-L79 HydrophobicContact CD-CB 4.44Å; K29-L79 WeakPolarHBondContact CD-O 3.5Å; K29-L79 VanDerWaalsContact CE-O 3.23Å; K29-L79 WeakPolarHBondContact CE-O 3.37Å; K29-L79 PolarHBondContact NZ-O 2.89Å; V35-L79 HydrophobicContact CB-CD2 3.97Å; V35-L79 HydrophobicContact CG1-CD2 3.62Å; Y75-L79 HydrophobicContact CD1-CD1 4.44Å; Y75-L79 WeakPolarHBondContact O-CB 2.95Å; Y75-L79 WeakPolarHBondContact O-CD1 3.43Å; Y75-L79 PolarHBondContact O-N 3.12Å; L79-I81 HydrophobicContact CB-CB 4.47Å; L79-I81 HydrophobicContact CB-CD1 3.96Å; L79-I81 HydrophobicContact CB-CG1 3.93Å; L79-I81 HydrophobicContact CB-CG2 3.91Å; L79-I81 HydrophobicContact CD2-CD1 3.95Å
80D91.9Very high94.2Very high98 Ų9824.4 Ų24.452%0.52412%0.117SC..THydrogen-bonded Turntrans52.456.5-171.1-165.232.9000111.2K29 E76 R533K29-D80 PolarHBondContact NZ-O 3.05Å; E76-D80 VanDerWaalsContact O-CA 3.31Å; E76-D80 WeakPolarHBondContact O-CA 3.4Å; E76-D80 PolarHBondContact O-N 2.72Å; E76-D80 VanDerWaalsContact O-N 3.09Å; D80-R533 IonicContact OD1-NE 3.95Å
81I94Very high94.7Very high2 Ų223.7 Ų23.71%0.0111%0.114CC..  trans-123.9169.2178.261.3179.4000110.1E76 L79 L83 V134 D135 R533E76-I81 WeakPolarHBondContact CG-O 3.4Å; E76-I81 PolarHBondContact O-N 3.35Å; L79-I81 HydrophobicContact CB-CB 4.47Å; L79-I81 HydrophobicContact CB-CD1 3.96Å; L79-I81 HydrophobicContact CB-CG1 3.93Å; L79-I81 HydrophobicContact CB-CG2 3.91Å; L79-I81 HydrophobicContact CD2-CD1 3.95Å; I81-L83 HydrophobicContact CD1-CD2 3.6Å; I81-L83 HydrophobicContact CD1-CG 4.13Å; I81-L83 HydrophobicContact CG1-CD2 4.25Å; I81-L83 HydrophobicContact CG1-CG 4.35Å; I81-V134 HydrophobicContact CB-CB 4.32Å; I81-V134 HydrophobicContact CB-CG2 4.12Å; I81-V134 HydrophobicContact CD1-CG2 4.23Å; I81-V134 HydrophobicContact CG2-CG2 4.09Å; I81-D135 WeakPolarHBondContact CG2-OD1 3.44Å; I81-R533 PolarHBondContact O-NH2 2.75Å
82R94.6Very high95.1Very high116 Ų11622 Ų2244%0.43811%0.107SC..  trans-122.1111.4173-60.7-172.9179.9-131.83.1109.5D63 E76 V134D63-R82 IonicContact OD1-NH1 3.07Å; D63-R82 WeakPolarHBondContact OD2-CD 3.24Å; D63-R82 IonicContact OD2-CZ 3.9Å; D63-R82 IonicContact OD2-NE 3.07Å; D63-R82 IonicContact OD2-NH1 2.62Å; D63-R82 PolarHBondContact OD2-NH1 3.13Å; E76-R82 WeakPolarHBondContact OE1-CA 3.29Å; R82-V134 PolarHBondContact N-O 3.21Å; R82-V134 WeakPolarHBondContact O-CB 3.22Å
83L96.4Very high95.2Very high2 Ų223.3 Ų23.31%0.0111%0.113CC..  trans-87.8160-179.1-62.5177.8000110.4A37 L62 L72 Y75 E76 I81 N87 V134A37-L83 HydrophobicContact CB-CD2 4.44Å; L62-L83 HydrophobicContact CD1-CB 4.37Å; L62-L83 HydrophobicContact CD2-CB 4.1Å; L72-L83 HydrophobicContact CB-CD1 4.3Å; L72-L83 HydrophobicContact CD2-CD1 4.09Å; L72-L83 HydrophobicContact CG-CD1 4.21Å; Y75-L83 HydrophobicContact CD2-CD1 4.36Å; E76-L83 HydrophobicContact CG-CB 4.44Å; E76-L83 HydrophobicContact CG-CD1 4.33Å; E76-L83 HydrophobicContact CG-CG 4.1Å; E76-L83 PolarHBondContact OE1-N 2.91Å; I81-L83 HydrophobicContact CD1-CD2 3.6Å; I81-L83 HydrophobicContact CD1-CG 4.13Å; I81-L83 HydrophobicContact CG1-CD2 4.25Å; I81-L83 HydrophobicContact CG1-CG 4.35Å; L83-N87 HydrophobicContact CB-CB 4.09Å; L83-N87 HydrophobicContact CD1-CB 4.47Å; L83-N87 HydrophobicContact CD2-CB 4.17Å; L83-N87 HydrophobicContact CG-CB 4.48Å; L83-V134 HydrophobicContact CD2-CB 4.46Å; L83-V134 HydrophobicContact CD2-CG1 4.04Å
84T95.8Very high95.4Very high37 Ų3723.3 Ų23.323%0.22711%0.113CC..  trans-109.9165172.476.80000110.6L62 D64 D86 N87 Q129L62-T84 VanDerWaalsContact CD1-O 3.25Å; L62-T84 WeakPolarHBondContact CD1-O 3.18Å; D64-T84 WeakPolarHBondContact OD2-CB 3.27Å; T84-D86 PolarHBondContact O-N 3.35Å; T84-N87 PolarHBondContact N-OD1 3.34Å; T84-N87 VanDerWaalsContact O-CB 3.3Å; T84-N87 WeakPolarHBondContact O-CB 3.49Å; T84-N87 PolarHBondContact O-N 3.05Å; T84-N87 PolarHBondContact O-OD1 2.89Å; T84-N87 PolarHBondContact OG1-OD1 2.69Å; T84-Q129 PolarHBondContact OG1-NE2 3.42Å
85K95.1Very high95.6Very high99 Ų9926.3 Ų26.343%0.4312%0.123SC..G310 helixtrans-56.3-22.4-179.774.2-167.2176-176.60114.1D64 N88 K93D64-K85 PolarHBondContact OD1-N 2.75Å; D64-K85 WeakPolarHBondContact OD2-CB 3.42Å; D64-K85 VanDerWaalsContact OD2-CG 3.27Å; D64-K85 WeakPolarHBondContact OD2-CG 3.44Å; D64-K85 PolarHBondContact OD2-N 3.27Å; K85-N88 PolarHBondContact O-N 2.99Å; K85-K93 PolarHBondContact O-NZ 3.45Å
86D96.2Very high95.7Very high49 Ų4930.2 Ų30.226%0.26214%0.141SC..G310 helixtrans-83.6-11.4179.3-67.8-21.1000112.5T84 N88 W125T84-D86 PolarHBondContact O-N 3.35Å; D86-N88 PolarHBondContact O-N 3.31Å; D86-W125 HydrophobicContact CB-CZ2 4.02Å; D86-W125 PolarHBondContact O-NE1 2.91Å
87N97.6Very high95.7Very high0 Ų031.8 Ų31.80%015%0.152CC..G310 helixtrans-71.9-16.2166.8-67.495.1000112.7A37 I38 K39 L72 L83 T84 Q129A37-N87 PolarHBondContact O-ND2 3.33Å; I38-N87 WeakPolarHBondContact CA-O 3.12Å; K39-N87 PolarHBondContact N-O 2.61Å; L72-N87 HydrophobicContact CD2-CB 4.43Å; L83-N87 HydrophobicContact CB-CB 4.09Å; L83-N87 HydrophobicContact CD1-CB 4.47Å; L83-N87 HydrophobicContact CD2-CB 4.17Å; L83-N87 HydrophobicContact CG-CB 4.48Å; T84-N87 PolarHBondContact N-OD1 3.34Å; T84-N87 VanDerWaalsContact O-CB 3.3Å; T84-N87 WeakPolarHBondContact O-CB 3.49Å; T84-N87 PolarHBondContact O-N 3.05Å; T84-N87 PolarHBondContact O-OD1 2.89Å; T84-N87 PolarHBondContact OG1-OD1 2.69Å; N87-Q129 PolarHBondContact ND2-NE2 3.32Å; N87-Q129 PolarHBondContact OD1-NE2 2.84Å
88N96.8Very high95.9Very high0 Ų031.7 Ų31.70%015%0.152CC..EExtended strand (participates in β ladder)trans-99.5109.6170.7177.8-110000109.6D41 V68 L72 K85 D86 T90 K93D41-N88 PolarHBondContact OD2-ND2 3.38Å; V68-N88 HydrophobicContact CB-CB 4.09Å; V68-N88 HydrophobicContact CG1-CB 3.61Å; L72-N88 HydrophobicContact CD1-CB 4.14Å; L72-N88 HydrophobicContact CD2-CB 3.77Å; K85-N88 PolarHBondContact O-N 2.99Å; D86-N88 PolarHBondContact O-N 3.31Å; N88-T90 WeakPolarHBondContact OD1-CG2 3.44Å; N88-K93 WeakPolarHBondContact O-CD 3.5Å; N88-K93 PolarHBondContact O-NZ 2.9Å; N88-K93 PolarHBondContact OD1-NZ 3.32Å
89L96.9Very high96.1Very high0 Ų035.7 Ų35.70%017%0.173CC..EExtended strand (participates in β ladder)trans-103.3125.2177.9-172.361.5000109.9K39 I40 D41 I94 I122 W125K39-L89 PolarHBondContact O-N 3.01Å; I40-L89 CarbonylContact C-O 3.52Å; I40-L89 VanDerWaalsContact CA-O 3.3Å; I40-L89 WeakPolarHBondContact CA-O 3.37Å; I40-L89 HydrophobicContact CD1-CD2 4.41Å; I40-L89 HydrophobicContact CG1-CB 4.16Å; I40-L89 HydrophobicContact CG1-CD2 4.26Å; D41-L89 PolarHBondContact N-O 3.34Å; L89-I94 HydrophobicContact CD1-CD1 3.62Å; L89-I94 HydrophobicContact CD1-CG1 3.62Å; L89-I94 HydrophobicContact CD2-CD1 4.24Å; L89-I94 HydrophobicContact CD2-CG1 4.22Å; L89-I94 HydrophobicContact CG-CD1 4.34Å; L89-I94 HydrophobicContact CG-CG1 4.04Å; L89-I122 HydrophobicContact CD2-CG2 4.25Å; L89-W125 HydrophobicContact CD1-CB 4.45Å; L89-W125 HydrophobicContact CD1-CD2 3.52Å; L89-W125 HydrophobicContact CD1-CE3 3.98Å; L89-W125 HydrophobicContact CD1-CG 3.72Å; L89-W125 HydrophobicContact CD1-CZ2 4.22Å; L89-W125 HydrophobicContact CD1-CZ3 4.49Å; L89-W125 HydrophobicContact CD2-CB 4.49Å; L89-W125 HydrophobicContact CD2-CG 4.39Å
90T97Very high96.4Very high0 Ų038.9 Ų38.90%019%0.19CC..EExtended strand (participates in β ladder)trans-118.3160.3176.874.90000111.3D41 Y43 N45 I46 N88 G92 K93 I94D41-T90 HydrophobicContact CB-CG2 4.38Å; D41-T90 VanDerWaalsContact O-CA 3.3Å; D41-T90 WeakPolarHBondContact O-CA 3.4Å; Y43-T90 HydrophobicContact CD2-CG2 4.33Å; Y43-T90 HydrophobicContact CE2-CG2 3.52Å; N45-T90 WeakPolarHBondContact O-CB 3.27Å; N45-T90 PolarHBondContact O-OG1 3.17Å; I46-T90 PolarHBondContact O-OG1 3.32Å; N88-T90 WeakPolarHBondContact OD1-CG2 3.44Å; T90-G92 PolarHBondContact O-N 2.93Å; T90-G92 PolarHBondContact OG1-N 3.08Å; T90-K93 PolarHBondContact O-N 3.17Å; T90-K93 PolarHBondContact OG1-N 3.03Å; T90-K93 VanDerWaalsContact OG1-N 3.09Å; T90-I94 PolarHBondContact O-N 3.3Å
91T96.8Very high96.6Very high11 Ų1136.6 Ų36.67%0.06718%0.176CC..Hα-helixtrans-56.2-41.9171.9-59.10000110.6D41 P42 Y43 K93 I94 Y95 F160D41-T91 PolarHBondContact O-N 3.46Å; P42-T91 VanDerWaalsContact C-OG1 3.27Å; P42-T91 PolarHBondContact O-OG1 3.1Å; Y43-T91 VanDerWaalsContact O-CB 3.3Å; Y43-T91 WeakPolarHBondContact O-CB 3.43Å; Y43-T91 PolarHBondContact O-N 2.85Å; T91-K93 PolarHBondContact O-N 2.9Å; T91-I94 PolarHBondContact O-N 3.06Å; T91-Y95 HydrophobicContact CG2-CD1 4.07Å; T91-Y95 HydrophobicContact CG2-CD2 4.09Å; T91-Y95 HydrophobicContact CG2-CE1 3.86Å; T91-Y95 HydrophobicContact CG2-CE2 3.86Å; T91-Y95 HydrophobicContact CG2-CG 4.2Å; T91-Y95 WeakPolarHBondContact O-CB 3.48Å; T91-Y95 WeakPolarHBondContact O-CD1 3.38Å; T91-Y95 PolarHBondContact O-N 2.64Å; T91-F160 WeakPolarHBondContact OG1-CE2 3.4Å; T91-F160 WeakPolarHBondContact OG1-CZ 3.21Å
92G96.5Very high96.7Very high8 Ų840 Ų408%0.08219%0.192CC..Hα-helixtrans-57.1-48.3175.800000113.7I44 T90 I94 Y95 Q96I44-G92 WeakPolarHBondContact O-CA 3.23Å; I44-G92 PolarHBondContact O-N 3.23Å; T90-G92 PolarHBondContact O-N 2.93Å; T90-G92 PolarHBondContact OG1-N 3.08Å; G92-I94 PolarHBondContact O-N 3.37Å; G92-Y95 PolarHBondContact O-N 3.42Å; G92-Q96 WeakPolarHBondContact O-CB 3.07Å; G92-Q96 PolarHBondContact O-N 3.34Å
93K96.3Very high96.8Very high27 Ų2743.7 Ų43.712%0.11721%0.206CC..Hα-helixtrans-59.1-46.4178.7-80.5175.8174.1165.10112I46 K85 N88 T90 T91 S97 W125I46-K93 HydrophobicContact CG2-CG 3.9Å; I46-K93 WeakPolarHBondContact O-CE 3.36Å; I46-K93 WeakPolarHBondContact O-CG 3.4Å; K85-K93 PolarHBondContact O-NZ 3.45Å; N88-K93 WeakPolarHBondContact O-CD 3.5Å; N88-K93 PolarHBondContact O-NZ 2.9Å; N88-K93 PolarHBondContact OD1-NZ 3.32Å; T90-K93 PolarHBondContact O-N 3.17Å; T90-K93 PolarHBondContact OG1-N 3.03Å; T90-K93 VanDerWaalsContact OG1-N 3.09Å; T91-K93 PolarHBondContact O-N 2.9Å; K93-S97 VanDerWaalsContact O-CB 3.28Å; K93-S97 WeakPolarHBondContact O-CB 3.42Å; K93-S97 PolarHBondContact O-N 3.16Å; K93-W125 HydrophobicContact CB-CH2 4.49Å
94I97.8Very high96.8Very high1 Ų151.2 Ų51.21%0.00523%0.234CC..Hα-helixtrans-66.5-46.6179.4-69.9-65.2000110.9L89 T90 T91 G92 S97 V98 I118 A121 I122 W125L89-I94 HydrophobicContact CD1-CD1 3.62Å; L89-I94 HydrophobicContact CD1-CG1 3.62Å; L89-I94 HydrophobicContact CD2-CD1 4.24Å; L89-I94 HydrophobicContact CD2-CG1 4.22Å; L89-I94 HydrophobicContact CG-CD1 4.34Å; L89-I94 HydrophobicContact CG-CG1 4.04Å; T90-I94 PolarHBondContact O-N 3.3Å; T91-I94 PolarHBondContact O-N 3.06Å; G92-I94 PolarHBondContact O-N 3.37Å; I94-S97 WeakPolarHBondContact O-CB 3.43Å; I94-S97 PolarHBondContact O-N 3.33Å; I94-V98 WeakPolarHBondContact O-CG2 3.28Å; I94-V98 PolarHBondContact O-N 3.03Å; I94-I118 HydrophobicContact CG2-CD1 4.18Å; I94-I118 HydrophobicContact CG2-CG2 3.85Å; I94-A121 HydrophobicContact CD1-CB 4.33Å; I94-A121 HydrophobicContact CG2-CB 4.22Å; I94-I122 HydrophobicContact CD1-CG1 4.04Å; I94-I122 HydrophobicContact CG1-CG1 3.92Å; I94-I122 HydrophobicContact CG2-CG1 4.16Å; I94-W125 HydrophobicContact CD1-CB 4.42Å; I94-W125 HydrophobicContact CD1-CD2 4.48Å; I94-W125 HydrophobicContact CD1-CE3 3.99Å
95Y97.2Very high96.8Very high87 Ų8751.3 Ų51.334%0.34124%0.242SC..Hα-helixtrans-66.1-43.5-176.7-77.820.8000110.6T91 G92 S97 V98 I99 I118T91-Y95 HydrophobicContact CG2-CD1 4.07Å; T91-Y95 HydrophobicContact CG2-CD2 4.09Å; T91-Y95 HydrophobicContact CG2-CE1 3.86Å; T91-Y95 HydrophobicContact CG2-CE2 3.86Å; T91-Y95 HydrophobicContact CG2-CG 4.2Å; T91-Y95 WeakPolarHBondContact O-CB 3.48Å; T91-Y95 WeakPolarHBondContact O-CD1 3.38Å; T91-Y95 PolarHBondContact O-N 2.64Å; G92-Y95 PolarHBondContact O-N 3.42Å; Y95-S97 VanDerWaalsContact C-N 3.33Å; Y95-S97 PolarHBondContact O-N 3.23Å; Y95-V98 PolarHBondContact O-N 3.4Å; Y95-I99 WeakPolarHBondContact O-CB 3.33Å; Y95-I99 WeakPolarHBondContact O-CD1 3.35Å; Y95-I99 WeakPolarHBondContact O-CG1 3.47Å; Y95-I99 PolarHBondContact O-N 2.96Å; Y95-I118 HydrophobicContact CD1-CD1 3.66Å; Y95-I118 HydrophobicContact CD1-CG1 4.48Å; Y95-I118 HydrophobicContact CD1-CG2 4.43Å; Y95-I118 HydrophobicContact CE1-CD1 3.78Å; Y95-I118 HydrophobicContact CE1-CG1 4.1Å; Y95-I118 HydrophobicContact CE1-CG2 3.83Å
96Q97.1Very high96.9Very high83 Ų8350.6 Ų50.639%0.38824%0.243SC..Hα-helixtrans-59.2-44.2174.4-173.165.668.400111.6G92 N100G92-Q96 WeakPolarHBondContact O-CB 3.07Å; G92-Q96 PolarHBondContact O-N 3.34Å; Q96-N100 PolarHBondContact NE2-ND2 2.88Å; Q96-N100 PolarHBondContact NE2-OD1 3.2Å; Q96-N100 VanDerWaalsContact O-CB 3.27Å; Q96-N100 WeakPolarHBondContact O-CB 2.93Å; Q96-N100 PolarHBondContact O-N 3.4Å; Q96-N100 PolarHBondContact O-ND2 2.82Å; Q96-N100 PolarHBondContact O-OD1 2.89Å
97S96.7Very high96.8Very high34 Ų3450.3 Ų50.324%0.23824%0.238CC..Hα-helixtrans-60-47.7177.1177.30000112K93 I94 Y95 N100 K101K93-S97 VanDerWaalsContact O-CB 3.28Å; K93-S97 WeakPolarHBondContact O-CB 3.42Å; K93-S97 PolarHBondContact O-N 3.16Å; I94-S97 WeakPolarHBondContact O-CB 3.43Å; I94-S97 PolarHBondContact O-N 3.33Å; Y95-S97 VanDerWaalsContact C-N 3.33Å; Y95-S97 PolarHBondContact O-N 3.23Å; S97-N100 PolarHBondContact O-N 3.22Å; S97-K101 WeakPolarHBondContact O-CG 2.96Å; S97-K101 PolarHBondContact O-N 2.99Å
98V97.8Very high96.7Very high5 Ų557.5 Ų57.53%0.0328%0.276CS..Hα-helixtrans-69.6-41-179.2170.10000112.1I94 Y95 N100 K101 E102 Y107 V112 I118 A121I94-V98 WeakPolarHBondContact O-CG2 3.28Å; I94-V98 PolarHBondContact O-N 3.03Å; Y95-V98 PolarHBondContact O-N 3.4Å; V98-N100 VanDerWaalsContact C-N 3.32Å; V98-N100 PolarHBondContact O-N 3.18Å; V98-K101 PolarHBondContact O-N 3.31Å; V98-E102 PolarHBondContact O-N 2.92Å; V98-Y107 HydrophobicContact CG1-CE2 4.24Å; V98-V112 HydrophobicContact CG1-CG1 3.58Å; V98-I118 HydrophobicContact CB-CD1 3.91Å; V98-I118 HydrophobicContact CG1-CD1 3.93Å; V98-I118 HydrophobicContact CG2-CD1 3.91Å; V98-A121 HydrophobicContact CG2-CB 3.66Å
99I97.6Very high96.4Very high90 Ų9061.5 Ų61.546%0.46232%0.317SS..Hα-helixtrans-61.3-42.9173.9-68.5164.9000110.3Y95 K101 E102 R103Y95-I99 WeakPolarHBondContact O-CB 3.33Å; Y95-I99 WeakPolarHBondContact O-CD1 3.35Å; Y95-I99 WeakPolarHBondContact O-CG1 3.47Å; Y95-I99 PolarHBondContact O-N 2.96Å; I99-K101 PolarHBondContact O-N 3.03Å; I99-E102 WeakPolarHBondContact O-CB 3.46Å; I99-E102 PolarHBondContact O-N 3.37Å; I99-R103 WeakPolarHBondContact O-CG 3.24Å; I99-R103 PolarHBondContact O-N 3.04Å
100N97.4Very high96.3Very high68 Ų6868.8 Ų68.836%0.36435%0.349SS..Hα-helixtrans-64.7-40.5177.2-70.6-12000112.1Q96 S97 V98 E102 R103 R104Q96-N100 PolarHBondContact NE2-ND2 2.88Å; Q96-N100 PolarHBondContact NE2-OD1 3.2Å; Q96-N100 VanDerWaalsContact O-CB 3.27Å; Q96-N100 WeakPolarHBondContact O-CB 2.93Å; Q96-N100 PolarHBondContact O-N 3.4Å; Q96-N100 PolarHBondContact O-ND2 2.82Å; Q96-N100 PolarHBondContact O-OD1 2.89Å; S97-N100 PolarHBondContact O-N 3.22Å; V98-N100 VanDerWaalsContact C-N 3.32Å; V98-N100 PolarHBondContact O-N 3.18Å; N100-E102 VanDerWaalsContact C-N 3.33Å; N100-R103 PolarHBondContact O-N 3.2Å; N100-R104 WeakPolarHBondContact O-CG 3.4Å; N100-R104 PolarHBondContact O-N 2.8Å; N100-R104 VanDerWaalsContact O-N 3.12Å
101K96.8Very high96.2Very high49 Ų4974.1 Ų74.121%0.21338%0.381CS..Hα-helixtrans-61.3-41.3173.6-74.6179.8175.7-173.80111.5S97 V98 I99 R104 G105 D106 Y107 E124S97-K101 WeakPolarHBondContact O-CG 2.96Å; S97-K101 PolarHBondContact O-N 2.99Å; V98-K101 PolarHBondContact O-N 3.31Å; I99-K101 PolarHBondContact O-N 3.03Å; K101-R104 VanDerWaalsContact CG-NH2 3.31Å; K101-R104 PolarHBondContact O-N 3.45Å; K101-G105 PolarHBondContact O-N 2.9Å; K101-D106 WeakPolarHBondContact CA-OD2 3.45Å; K101-D106 HydrophobicContact CB-CB 4.06Å; K101-D106 WeakPolarHBondContact CB-OD2 3.42Å; K101-D106 WeakPolarHBondContact CG-OD2 3.5Å; K101-D106 WeakPolarHBondContact O-CB 3.45Å; K101-D106 PolarHBondContact O-N 3.45Å; K101-Y107 HydrophobicContact CB-CE2 3.64Å; K101-E124 IonicContact NZ-OE2 3.55Å
102E97.5Very high96.2Very high75 Ų7575.7 Ų75.735%0.3539%0.391SS..Hα-helixtrans-60.8-50.3175.4-179-84.2151.400111.8V98 I99 N100 R104 G105 Y107 V112V98-E102 PolarHBondContact O-N 2.92Å; I99-E102 WeakPolarHBondContact O-CB 3.46Å; I99-E102 PolarHBondContact O-N 3.37Å; N100-E102 VanDerWaalsContact C-N 3.33Å; E102-R104 VanDerWaalsContact C-N 3.26Å; E102-R104 PolarHBondContact O-N 3.02Å; E102-G105 PolarHBondContact O-N 3.38Å; E102-Y107 HydrophobicContact CB-CD2 3.97Å; E102-Y107 HydrophobicContact CB-CE2 4.14Å; E102-V112 HydrophobicContact CB-CG2 4.18Å; E102-V112 HydrophobicContact CG-CG2 4Å
103R96.5Very high96.3Very high193 Ų19381.1 Ų81.173%0.72841%0.414SS*.Hα-helixtrans-63.2-28.7179.7-67.3-58.7-174.8-153.36.3114.2I99 N100 G105I99-R103 WeakPolarHBondContact O-CG 3.24Å; I99-R103 PolarHBondContact O-N 3.04Å; N100-R103 PolarHBondContact O-N 3.2Å; R103-G105 VanDerWaalsContact C-N 3.29Å
104R96.3Very high96.3Very high160 Ų16083 Ų8360%0.60443%0.428SS*.Hα-helixtrans-77.2-13.5173.4-71.9-168.9-53.3-114.8-2.4114N100 K101 E102 D106N100-R104 WeakPolarHBondContact O-CG 3.4Å; N100-R104 PolarHBondContact O-N 2.8Å; N100-R104 VanDerWaalsContact O-N 3.12Å; K101-R104 VanDerWaalsContact CG-NH2 3.31Å; K101-R104 PolarHBondContact O-N 3.45Å; E102-R104 VanDerWaalsContact C-N 3.26Å; E102-R104 PolarHBondContact O-N 3.02Å; R104-D106 IonicContact CZ-OD2 2.98Å; R104-D106 IonicContact NE-OD1 2.79Å; R104-D106 IonicContact NE-OD2 3.02Å; R104-D106 PolarHBondContact NE-OD2 3.46Å; R104-D106 IonicContact NH2-OD2 2.78Å; R104-D106 PolarHBondContact NH2-OD2 3.37Å
105G95.5Very high96.2Very high38 Ų3886.1 Ų86.139%0.39245%0.447SS..THydrogen-bonded Turntrans87.415.5-177.100000114.5K101 E102 R103 Y107 L108K101-G105 PolarHBondContact O-N 2.9Å; E102-G105 PolarHBondContact O-N 3.38Å; R103-G105 VanDerWaalsContact C-N 3.29Å; G105-Y107 PolarHBondContact O-N 2.92Å; G105-Y107 VanDerWaalsContact O-N 3.08Å; G105-L108 PolarHBondContact O-N 2.97Å
106D95.9Very high96.2Very high85 Ų8584.7 Ų84.746%0.45545%0.448SS..THydrogen-bonded Turntrans-61.9-22.1-176.8-61.8-7.7000112K101 R104K101-D106 WeakPolarHBondContact CA-OD2 3.45Å; K101-D106 HydrophobicContact CB-CB 4.06Å; K101-D106 WeakPolarHBondContact CB-OD2 3.42Å; K101-D106 WeakPolarHBondContact CG-OD2 3.5Å; K101-D106 WeakPolarHBondContact O-CB 3.45Å; K101-D106 PolarHBondContact O-N 3.45Å; R104-D106 IonicContact CZ-OD2 2.98Å; R104-D106 IonicContact NE-OD1 2.79Å; R104-D106 IonicContact NE-OD2 3.02Å; R104-D106 PolarHBondContact NE-OD2 3.46Å; R104-D106 IonicContact NH2-OD2 2.78Å; R104-D106 PolarHBondContact NH2-OD2 3.37Å
107Y95.6Very high96.2Very high43 Ų4382.3 Ų82.317%0.16944%0.437CS..THydrogen-bonded Turntrans-95.49.1177.5-55.6-63.9000114.4V98 K101 E102 G105 G109 K110 V112 H117V98-Y107 HydrophobicContact CG1-CE2 4.24Å; K101-Y107 HydrophobicContact CB-CE2 3.64Å; E102-Y107 HydrophobicContact CB-CD2 3.97Å; E102-Y107 HydrophobicContact CB-CE2 4.14Å; G105-Y107 PolarHBondContact O-N 2.92Å; G105-Y107 VanDerWaalsContact O-N 3.08Å; Y107-G109 PolarHBondContact O-N 2.99Å; Y107-K110 WeakPolarHBondContact O-CB 3.46Å; Y107-K110 WeakPolarHBondContact O-CG 3.17Å; Y107-K110 PolarHBondContact O-N 3.2Å; Y107-V112 HydrophobicContact CD2-CG2 3.29Å; Y107-V112 HydrophobicContact CE2-CG1 4.3Å; Y107-V112 HydrophobicContact CE2-CG2 3.8Å; Y107-V112 HydrophobicContact CG-CG2 3.77Å; Y107-H117 AromaticContact CD1-CD2 3.72Å; Y107-H117 AromaticContact CE1-CD2 3.69Å
108L94.8Very high96.3Very high151 Ų15181.3 Ų81.379%0.79143%0.429SS*.THydrogen-bonded Turntrans53.337.1175.1-54.3177.9000114G105 K110G105-L108 PolarHBondContact O-N 2.97Å; L108-K110 PolarHBondContact O-N 3.48Å
109G90.7Very high96.3Very high84 Ų8481.1 Ų81.187%0.86643%0.427SS*.THydrogen-bonded Turntrans74.16.2179.900000115.3Y107Y107-G109 PolarHBondContact O-N 2.99Å
110K94.4Very high96.3Very high153 Ų15379.5 Ų79.567%0.66542%0.42SS*.PPolyproline II helixtrans-72.7150.6172.8-63.9179.9-179.41770111Y107 L108 V112Y107-K110 WeakPolarHBondContact O-CB 3.46Å; Y107-K110 WeakPolarHBondContact O-CG 3.17Å; Y107-K110 PolarHBondContact O-N 3.2Å; L108-K110 PolarHBondContact O-N 3.48Å; K110-V112 PolarHBondContact O-N 3.22Å
111T95.7Very high96.4Very high111 Ų11176.6 Ų76.668%0.68141%0.405SS*.PPolyproline II helixtrans-63.6123174.8-520000111.2Q113 H117T111-Q113 HydrophobicContact CG2-CG 4.26Å; T111-H117 PolarHBondContact O-CE1 3.36Å; T111-H117 VanDerWaalsContact O-CE1 3.24Å
112V96.8Very high96.4Very high45 Ų4574.4 Ų74.427%0.27340%0.396SS..PPolyproline II helixtrans-85.8136.8174.5-175.20000109.7V98 E102 Y107 K110 H117V98-V112 HydrophobicContact CG1-CG1 3.58Å; E102-V112 HydrophobicContact CB-CG2 4.18Å; E102-V112 HydrophobicContact CG-CG2 4Å; Y107-V112 HydrophobicContact CD2-CG2 3.29Å; Y107-V112 HydrophobicContact CE2-CG1 4.3Å; Y107-V112 HydrophobicContact CE2-CG2 3.8Å; Y107-V112 HydrophobicContact CG-CG2 3.77Å; K110-V112 PolarHBondContact O-N 3.22Å; V112-H117 HydrophobicContact CG1-CB 3.75Å
113Q97.1Very high96.5Very high121 Ų12171.1 Ų71.157%0.56538%0.381SS*.  trans-141.7165.5-176.2-63.2-17418.100110.5T111 V115 H117T111-Q113 HydrophobicContact CG2-CG 4.26Å; Q113-V115 VanDerWaalsContact C-N 3.32Å; Q113-V115 WeakPolarHBondContact CB-O 3.17Å; Q113-V115 PolarHBondContact O-N 2.98Å; Q113-H117 PolarHBondContact N-ND1 3.45Å; Q113-H117 VanDerWaalsContact O-CB 3.28Å; Q113-H117 WeakPolarHBondContact O-CB 3.41Å; Q113-H117 PolarHBondContact O-N 2.85Å; Q113-H117 PolarHBondContact O-ND1 3.28Å
114V96.7Very high96.6Very high68 Ų6866.3 Ų66.341%0.41237%0.366SS..Iπ-helixtrans-56.4-47.8175179.90000111I118 T119 P159V114-I118 HydrophobicContact CB-CG1 4.47Å; V114-I118 HydrophobicContact CG1-CB 4.25Å; V114-I118 VanDerWaalsContact O-CB 3.28Å; V114-I118 WeakPolarHBondContact O-CB 3.3Å; V114-I118 PolarHBondContact O-N 3.22Å; V114-T119 PolarHBondContact O-N 3.47Å; V114-P159 HydrophobicContact CG1-CB 4.12Å; V114-P159 HydrophobicContact CG1-CG 4.3Å
115V96.8Very high96.6Very high66 Ų6661.1 Ų61.140%0.435%0.347SS..Iπ-helixtrans-109.2126173.8-175.60000109Q113 T119 E162Q113-V115 VanDerWaalsContact C-N 3.32Å; Q113-V115 WeakPolarHBondContact CB-O 3.17Å; Q113-V115 PolarHBondContact O-N 2.98Å; V115-T119 HydrophobicContact CG2-CG2 4.12Å; V115-E162 HydrophobicContact CG2-CG 3.95Å
116P96.1Very high96.8Very high56 Ų5659.3 Ų59.336%0.36433%0.328SS..Iπ-helixcis-92.6-7.60.738-37000114.1I118 T119 D120P116-I118 PolarHBondContact O-N 2.86Å; P116-T119 WeakPolarHBondContact CA-OG1 3.17Å; P116-T119 PolarHBondContact O-N 2.87Å; P116-T119 PolarHBondContact O-OG1 2.73Å; P116-D120 WeakPolarHBondContact CB-OD2 3.46Å; P116-D120 VanDerWaalsContact O-CB 3.23Å; P116-D120 WeakPolarHBondContact O-CB 3.46Å; P116-D120 PolarHBondContact O-N 3.49Å
117H97.7Very high96.9Very high34 Ų3457.5 Ų57.516%0.15732%0.317CS..Iπ-helixtrans-66.3-41.1-162.2-48.281.3000114.7Y107 T111 V112 Q113 A121Y107-H117 AromaticContact CD1-CD2 3.72Å; Y107-H117 AromaticContact CE1-CD2 3.69Å; T111-H117 PolarHBondContact O-CE1 3.36Å; T111-H117 VanDerWaalsContact O-CE1 3.24Å; V112-H117 HydrophobicContact CG1-CB 3.75Å; Q113-H117 PolarHBondContact N-ND1 3.45Å; Q113-H117 VanDerWaalsContact O-CB 3.28Å; Q113-H117 WeakPolarHBondContact O-CB 3.41Å; Q113-H117 PolarHBondContact O-N 2.85Å; Q113-H117 PolarHBondContact O-ND1 3.28Å; H117-A121 WeakPolarHBondContact O-CB 3.28Å; H117-A121 PolarHBondContact O-N 3.39Å; H117-A121 VanDerWaalsContact O-N 3.17Å
118I98.1Very high96.9Very high13 Ų1362.5 Ų62.57%0.06734%0.34CS..Iπ-helixtrans-71.4-44.2174.4-61.7-62.9000109.6I94 Y95 V98 V114 P116 D120 A121 I122 P159I94-I118 HydrophobicContact CG2-CD1 4.18Å; I94-I118 HydrophobicContact CG2-CG2 3.85Å; Y95-I118 HydrophobicContact CD1-CD1 3.66Å; Y95-I118 HydrophobicContact CD1-CG1 4.48Å; Y95-I118 HydrophobicContact CD1-CG2 4.43Å; Y95-I118 HydrophobicContact CE1-CD1 3.78Å; Y95-I118 HydrophobicContact CE1-CG1 4.1Å; Y95-I118 HydrophobicContact CE1-CG2 3.83Å; V98-I118 HydrophobicContact CB-CD1 3.91Å; V98-I118 HydrophobicContact CG1-CD1 3.93Å; V98-I118 HydrophobicContact CG2-CD1 3.91Å; V114-I118 HydrophobicContact CB-CG1 4.47Å; V114-I118 HydrophobicContact CG1-CB 4.25Å; V114-I118 VanDerWaalsContact O-CB 3.28Å; V114-I118 WeakPolarHBondContact O-CB 3.3Å; V114-I118 PolarHBondContact O-N 3.22Å; P116-I118 PolarHBondContact O-N 2.86Å; I118-D120 VanDerWaalsContact C-N 3.33Å; I118-D120 PolarHBondContact O-N 2.96Å; I118-A121 PolarHBondContact O-N 2.9Å; I118-I122 HydrophobicContact CG2-CD1 3.9Å; I118-I122 WeakPolarHBondContact O-CG1 3.37Å; I118-I122 PolarHBondContact O-N 3.17Å; I118-P159 HydrophobicContact CG2-CB 4.19Å
119T98.2Very high97.1Very high0 Ų055.6 Ų55.60%030%0.304CS..Hα-helixtrans-64.7-36.3-17952.60000112.7V114 V115 P116 Q123 E162 A163V114-T119 PolarHBondContact O-N 3.47Å; V115-T119 HydrophobicContact CG2-CG2 4.12Å; P116-T119 WeakPolarHBondContact CA-OG1 3.17Å; P116-T119 PolarHBondContact O-N 2.87Å; P116-T119 PolarHBondContact O-OG1 2.73Å; T119-Q123 VanDerWaalsContact O-CG 3.23Å; T119-Q123 WeakPolarHBondContact O-CG 3.46Å; T119-Q123 PolarHBondContact O-N 2.89Å; T119-Q123 VanDerWaalsContact O-N 3.1Å; T119-Q123 PolarHBondContact O-NE2 2.72Å; T119-Q123 VanDerWaalsContact O-NE2 3.15Å; T119-E162 HydrophobicContact CG2-CB 4.26Å; T119-E162 HydrophobicContact CG2-CG 3.94Å; T119-A163 HydrophobicContact CG2-CB 4.07Å
120D98Very high97.4Very high57 Ų5751.6 Ų51.631%0.30526%0.263SS..Hα-helixtrans-68.7-44174.9-74.7-15.9000110.5P116 I118 I122 Q123 E124P116-D120 WeakPolarHBondContact CB-OD2 3.46Å; P116-D120 VanDerWaalsContact O-CB 3.23Å; P116-D120 WeakPolarHBondContact O-CB 3.46Å; P116-D120 PolarHBondContact O-N 3.49Å; I118-D120 VanDerWaalsContact C-N 3.33Å; I118-D120 PolarHBondContact O-N 2.96Å; D120-I122 VanDerWaalsContact C-N 3.31Å; D120-I122 PolarHBondContact O-N 3.32Å; D120-Q123 PolarHBondContact O-N 3.06Å; D120-E124 WeakPolarHBondContact O-CB 3.45Å; D120-E124 VanDerWaalsContact O-CG 3.28Å; D120-E124 WeakPolarHBondContact O-CG 3.18Å; D120-E124 PolarHBondContact O-N 2.66Å
121A98.3Very high97.5Very high7 Ų749.5 Ų49.56%0.05825%0.253CS..Hα-helixtrans-60-40.3176.500000112.2I94 V98 H117 I118 W125I94-A121 HydrophobicContact CD1-CB 4.33Å; I94-A121 HydrophobicContact CG2-CB 4.22Å; V98-A121 HydrophobicContact CG2-CB 3.66Å; H117-A121 WeakPolarHBondContact O-CB 3.28Å; H117-A121 PolarHBondContact O-N 3.39Å; H117-A121 VanDerWaalsContact O-N 3.17Å; I118-A121 PolarHBondContact O-N 2.9Å; A121-W125 WeakPolarHBondContact O-CB 3.42Å; A121-W125 PolarHBondContact O-N 2.85Å
122I98.5Very high97.6Very high2 Ų246.4 Ų46.41%0.0123%0.234CC..Hα-helixtrans-62.4-49.9174.1-67.7161.1000110.6L89 I94 I118 D120 E124 W125 V126 F160 A163L89-I122 HydrophobicContact CD2-CG2 4.25Å; I94-I122 HydrophobicContact CD1-CG1 4.04Å; I94-I122 HydrophobicContact CG1-CG1 3.92Å; I94-I122 HydrophobicContact CG2-CG1 4.16Å; I118-I122 HydrophobicContact CG2-CD1 3.9Å; I118-I122 WeakPolarHBondContact O-CG1 3.37Å; I118-I122 PolarHBondContact O-N 3.17Å; D120-I122 VanDerWaalsContact C-N 3.31Å; D120-I122 PolarHBondContact O-N 3.32Å; I122-E124 PolarHBondContact O-N 2.78Å; I122-W125 WeakPolarHBondContact O-CB 3.48Å; I122-W125 PolarHBondContact O-N 3.1Å; I122-V126 WeakPolarHBondContact O-CG2 3.31Å; I122-V126 PolarHBondContact O-N 3.23Å; I122-F160 HydrophobicContact CD1-CD1 3.56Å; I122-F160 HydrophobicContact CD1-CE1 3.81Å; I122-F160 HydrophobicContact CD1-CG 4.35Å; I122-F160 HydrophobicContact CG1-CD1 4.1Å; I122-F160 HydrophobicContact CG1-CE1 4.09Å; I122-F160 HydrophobicContact CG2-CD1 4.22Å; I122-A163 HydrophobicContact CB-CB 3.91Å; I122-A163 HydrophobicContact CD1-CB 4.01Å; I122-A163 HydrophobicContact CG2-CB 3.77Å
123Q98.4Very high97.5Very high7 Ų746.8 Ų46.83%0.03324%0.238CC..Hα-helixtrans-61.9-44.6-179.5-70.8173.263.300112T119 D120 W125 V126 M127 A163 F167T119-Q123 VanDerWaalsContact O-CG 3.23Å; T119-Q123 WeakPolarHBondContact O-CG 3.46Å; T119-Q123 PolarHBondContact O-N 2.89Å; T119-Q123 VanDerWaalsContact O-N 3.1Å; T119-Q123 PolarHBondContact O-NE2 2.72Å; T119-Q123 VanDerWaalsContact O-NE2 3.15Å; D120-Q123 PolarHBondContact O-N 3.06Å; Q123-W125 VanDerWaalsContact C-N 3.33Å; Q123-W125 PolarHBondContact O-N 2.82Å; Q123-V126 PolarHBondContact O-N 3.46Å; Q123-M127 WeakPolarHBondContact O-CE 3.47Å; Q123-M127 VanDerWaalsContact O-CG 3.3Å; Q123-M127 WeakPolarHBondContact O-CG 3.44Å; Q123-M127 PolarHBondContact O-N 2.8Å; Q123-A163 HydrophobicContact CG-CB 4.46Å; Q123-F167 HydrophobicContact CB-CD2 4.06Å; Q123-F167 HydrophobicContact CG-CB 4.11Å; Q123-F167 HydrophobicContact CG-CD2 3.8Å; Q123-F167 HydrophobicContact CG-CG 4.38Å
124E97.9Very high97.4Very high91 Ų9141.3 Ų41.343%0.42521%0.213SC..Hα-helixtrans-58.8-44.6175.9-75.5174-17600111.6K101 D120 I122 M127 K128K101-E124 IonicContact NZ-OE2 3.55Å; D120-E124 WeakPolarHBondContact O-CB 3.45Å; D120-E124 VanDerWaalsContact O-CG 3.28Å; D120-E124 WeakPolarHBondContact O-CG 3.18Å; D120-E124 PolarHBondContact O-N 2.66Å; I122-E124 PolarHBondContact O-N 2.78Å; E124-M127 PolarHBondContact O-N 2.92Å; E124-K128 WeakPolarHBondContact O-CB 3.41Å; E124-K128 PolarHBondContact O-N 3.5Å
125W98.3Very high97Very high52 Ų5239.3 Ų39.320%0.19720%0.199CC..Hα-helixtrans-60.2-51.6177.7-164.7-65.3000111.3D86 L89 K93 I94 A121 I122 Q123 M127 K128 Q129D86-W125 HydrophobicContact CB-CZ2 4.02Å; D86-W125 PolarHBondContact O-NE1 2.91Å; L89-W125 HydrophobicContact CD1-CB 4.45Å; L89-W125 HydrophobicContact CD1-CD2 3.52Å; L89-W125 HydrophobicContact CD1-CE3 3.98Å; L89-W125 HydrophobicContact CD1-CG 3.72Å; L89-W125 HydrophobicContact CD1-CZ2 4.22Å; L89-W125 HydrophobicContact CD1-CZ3 4.49Å; L89-W125 HydrophobicContact CD2-CB 4.49Å; L89-W125 HydrophobicContact CD2-CG 4.39Å; K93-W125 HydrophobicContact CB-CH2 4.49Å; I94-W125 HydrophobicContact CD1-CB 4.42Å; I94-W125 HydrophobicContact CD1-CD2 4.48Å; I94-W125 HydrophobicContact CD1-CE3 3.99Å; A121-W125 WeakPolarHBondContact O-CB 3.42Å; A121-W125 PolarHBondContact O-N 2.85Å; I122-W125 WeakPolarHBondContact O-CB 3.48Å; I122-W125 PolarHBondContact O-N 3.1Å; Q123-W125 VanDerWaalsContact C-N 3.33Å; Q123-W125 PolarHBondContact O-N 2.82Å; W125-M127 PolarHBondContact O-N 2.88Å; W125-K128 PolarHBondContact O-N 3.22Å; W125-Q129 WeakPolarHBondContact O-CB 3.42Å; W125-Q129 PolarHBondContact O-N 2.98Å
126V98.3Very high96.4Very high0 Ų040.5 Ų40.50%023%0.225CC..Hα-helixtrans-59.4-46.3-179.7169.40000111.1Y4 I38 I122 Q123 K128 Q129 A130 I146 F164 F167Y4-V126 HydrophobicContact CD1-CG1 4.22Å; Y4-V126 HydrophobicContact CE1-CG1 3.99Å; I38-V126 HydrophobicContact CD1-CB 4.48Å; I38-V126 HydrophobicContact CD1-CG1 4.24Å; I122-V126 WeakPolarHBondContact O-CG2 3.31Å; I122-V126 PolarHBondContact O-N 3.23Å; Q123-V126 PolarHBondContact O-N 3.46Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 2.91Å; V126-Q129 PolarHBondContact O-N 2.79Å; V126-A130 WeakPolarHBondContact O-CB 3.42Å; V126-A130 PolarHBondContact O-N 3.14Å; V126-I146 HydrophobicContact CG1-CD1 3.56Å; V126-F164 HydrophobicContact CG2-CE1 4.42Å; V126-F164 HydrophobicContact CG2-CZ 4.14Å; V126-F167 HydrophobicContact CG1-CZ 4.14Å
127M97.6Very high96Very high46 Ų4642 Ų4223%0.22723%0.23CC..Hα-helixtrans-65.4-35.6179.4-70.5-176.3-62.800113.2Q123 E124 W125 K131 F167 K170Q123-M127 WeakPolarHBondContact O-CE 3.47Å; Q123-M127 VanDerWaalsContact O-CG 3.3Å; Q123-M127 WeakPolarHBondContact O-CG 3.44Å; Q123-M127 PolarHBondContact O-N 2.8Å; E124-M127 PolarHBondContact O-N 2.92Å; W125-M127 PolarHBondContact O-N 2.88Å; M127-K131 WeakPolarHBondContact O-CG 3.3Å; M127-F167 HydrophobicContact CG-CE2 3.56Å; M127-F167 HydrophobicContact CG-CZ 4.05Å; M127-F167 HydrophobicContact SD-CE2 4.07Å; M127-K170 HydrophobicContact CE-CD 4.37Å; M127-K170 HydrophobicContact SD-CD 4.29Å
128K97.4Very high95.5Very high149 Ų14948.3 Ų48.365%0.64826%0.259SS*.Hα-helixtrans-70-52.3177.3-178.5-173173.1-165.10109.8E124 W125 V126 A130 K131E124-K128 WeakPolarHBondContact O-CB 3.41Å; E124-K128 PolarHBondContact O-N 3.5Å; W125-K128 PolarHBondContact O-N 3.22Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 2.91Å; K128-A130 PolarHBondContact O-N 3.14Å; K128-K131 PolarHBondContact O-N 3.31Å
129Q97.7Very high95.3Very high6 Ų650.5 Ų50.53%0.02827%0.274CS..Hα-helixtrans-69.5-33.4-173-169.762.412.200112.8I38 T84 N87 W125 V126 K131 V132I38-Q129 HydrophobicContact CD1-CB 3.9Å; I38-Q129 HydrophobicContact CD1-CG 4.16Å; I38-Q129 HydrophobicContact CG1-CG 4.27Å; T84-Q129 PolarHBondContact OG1-NE2 3.42Å; N87-Q129 PolarHBondContact ND2-NE2 3.32Å; N87-Q129 PolarHBondContact OD1-NE2 2.84Å; W125-Q129 WeakPolarHBondContact O-CB 3.42Å; W125-Q129 PolarHBondContact O-N 2.98Å; V126-Q129 PolarHBondContact O-N 2.79Å; Q129-K131 PolarHBondContact O-N 3.15Å; Q129-K131 VanDerWaalsContact O-N 3.1Å; Q129-V132 PolarHBondContact O-N 3Å; Q129-V132 VanDerWaalsContact O-N 3.07Å
130A97.6Very high95.2Very high0 Ų055.5 Ų55.50%030%0.297CS..THydrogen-bonded Turntrans-58.3-25.917700000113.2M2 Y4 T36 V126 K128 C144M2-A130 HydrophobicContact CE-CB 4.04Å; M2-A130 WeakPolarHBondContact CE-O 3.26Å; M2-A130 HydrophobicContact CG-CB 4.19Å; M2-A130 HydrophobicContact SD-CB 4.22Å; Y4-A130 HydrophobicContact CE1-CB 3.67Å; T36-A130 WeakPolarHBondContact CG2-O 3.19Å; V126-A130 WeakPolarHBondContact O-CB 3.42Å; V126-A130 PolarHBondContact O-N 3.14Å; K128-A130 PolarHBondContact O-N 3.14Å; A130-C144 HydrophobicContact CB-CB 3.78Å
131K97Very high95.1Very high109 Ų10953 Ų5347%0.47428%0.284SS..THydrogen-bonded Turntrans-88.5-12.2-179.2-59-177.9-178.3-177.60113.9M2 M127 K128 Q129 P133 E140M2-K131 HydrophobicContact CE-CG 4.43Å; M127-K131 WeakPolarHBondContact O-CG 3.3Å; K128-K131 PolarHBondContact O-N 3.31Å; Q129-K131 PolarHBondContact O-N 3.15Å; Q129-K131 VanDerWaalsContact O-N 3.1Å; K131-P133 WeakPolarHBondContact O-CD 3.22Å; K131-E140 HydrophobicContact CB-CG 4.16Å; K131-E140 WeakPolarHBondContact CG-OE1 3.41Å
132V96.9Very high95Very high46 Ų4656.5 Ų56.528%0.27930%0.299SS..SBendtrans-71124.1-179.31790000108.1Q129 V134Q129-V132 PolarHBondContact O-N 3Å; Q129-V132 VanDerWaalsContact O-N 3.07Å; V132-V134 PolarHBondContact O-N 2.65Å
133P95.8Very high95Very high53 Ų5356.4 Ų56.434%0.34430%0.299SS..  trans-59.9135.2174.5-23.934.8000111.5K131 E138 T139K131-P133 WeakPolarHBondContact O-CD 3.22Å; P133-E138 VanDerWaalsContact CG-O 3.24Å; P133-E138 WeakPolarHBondContact CG-O 3.37Å; P133-T139 WeakPolarHBondContact CB-O 3.46Å
134V94.5Very high95Very high6 Ų656.1 Ų56.14%0.03630%0.297CS..  trans-122.8-4.5178.1-63.90000112.5T36 I81 R82 L83 V132T36-V134 WeakPolarHBondContact OG1-CG1 3.41Å; I81-V134 HydrophobicContact CB-CB 4.32Å; I81-V134 HydrophobicContact CB-CG2 4.12Å; I81-V134 HydrophobicContact CD1-CG2 4.23Å; I81-V134 HydrophobicContact CG2-CG2 4.09Å; R82-V134 PolarHBondContact N-O 3.21Å; R82-V134 WeakPolarHBondContact O-CB 3.22Å; L83-V134 HydrophobicContact CD2-CB 4.46Å; L83-V134 HydrophobicContact CD2-CG1 4.04Å; V132-V134 PolarHBondContact O-N 2.65Å
135D88.8Confident95Very high25 Ų2551.9 Ų51.913%0.13428%0.278CS..SBendtrans-93.9159.2171.6-73.7-48.8000109.8K29 H34 I81 D137 E138K29-D135 IonicContact NZ-OD1 3.92Å; K29-D135 PolarHBondContact NZ-OD1 2.82Å; H34-D135 IonicContact CG-OD2 3.93Å; H34-D135 IonicContact ND1-OD2 2.74Å; H34-D135 PolarHBondContact ND1-OD2 3.14Å; I81-D135 WeakPolarHBondContact CG2-OD1 3.44Å; D135-D137 WeakPolarHBondContact CB-OD1 3.42Å; D135-D137 PolarHBondContact O-N 3.19Å; D135-E138 PolarHBondContact O-N 3.04Å
136G82.4Confident95Very high91 Ų9149.4 Ų49.494%0.93827%0.268SS*.THydrogen-bonded Turntrans-72.9-5-17800000115.3
137D88.2Confident95Very high88 Ų8849.5 Ų49.547%0.47127%0.269SS..THydrogen-bonded Turntrans-97.86.9179.463.16.6000113.5H34 D135 T139H34-D137 IonicContact CE1-OD1 2.76Å; H34-D137 IonicContact CE1-OD2 3.17Å; H34-D137 PolarHBondContact CE1-OD2 2.85Å; H34-D137 IonicContact ND1-OD2 3.3Å; H34-D137 IonicContact NE2-OD2 3.44Å; D135-D137 WeakPolarHBondContact CB-OD1 3.42Å; D135-D137 PolarHBondContact O-N 3.19Å; D137-T139 PolarHBondContact O-N 2.56Å; D137-T139 PolarHBondContact O-OG1 3.49Å; D137-T139 PolarHBondContact OD1-N 3.4Å
138E88.6Confident95Very high166 Ų16647.5 Ų47.578%0.77626%0.259SS*.  trans56.222.4176.9-56.8-171.6166.300114.7P133 D135P133-E138 VanDerWaalsContact CG-O 3.24Å; P133-E138 WeakPolarHBondContact CG-O 3.37Å; D135-E138 PolarHBondContact O-N 3.04Å
139T93.4Very high94.8Very high60 Ų6040.6 Ų40.637%0.36823%0.23SC..PPolyproline II helixtrans-83.3138.6-179.5-61.80000111.8P133 D137P133-T139 WeakPolarHBondContact CB-O 3.46Å; D137-T139 PolarHBondContact O-N 2.56Å; D137-T139 PolarHBondContact O-OG1 3.49Å; D137-T139 PolarHBondContact OD1-N 3.4Å
140E95.4Very high94.4Very high104 Ų10441.2 Ų41.249%0.48624%0.238SC..PPolyproline II helixtrans-61.1128.1174.9-176.4176.8157.900110.1K131K131-E140 HydrophobicContact CB-CG 4.16Å; K131-E140 WeakPolarHBondContact CG-OE1 3.41Å
141P96.7Very high94.2Very high5 Ų542.3 Ų42.33%0.03224%0.244CC..PPolyproline II helixtrans-59.6151.3178.5-23.733.8000113.1M2 T36M2-P141 HydrophobicContact CE-CB 4.16Å; M2-P141 WeakPolarHBondContact CE-O 3.37Å; T36-P141 HydrophobicContact CG2-CB 3.81Å; T36-P141 HydrophobicContact CG2-CG 3.9Å
142Q96.2Very high93.9Very high81 Ų8137.9 Ų37.938%0.37923%0.227SC..SBendtrans-97.6-29.2175.4-64.4171-7000111.7K3 H34K3-Q142 PolarHBondContact N-O 2.71Å; H34-Q142 PolarHBondContact O-N 3.08Å
143V97.5Very high93.6Very high0 Ų037.4 Ų37.40%023%0.231CC..EExtended strand (participates in β ladder)trans-128.9133.1179.9-172.70000110.1K3 I5 L28 L33 H34 V35 T36 M273K3-V143 HydrophobicContact CB-CG2 4.29Å; K3-V143 CarbonylContact O-C 3.52Å; K3-V143 WeakPolarHBondContact O-CA 3.31Å; I5-V143 HydrophobicContact CD1-CG1 3.8Å; I5-V143 HydrophobicContact CG1-CG1 4.13Å; L28-V143 HydrophobicContact CD1-CG1 3.97Å; L33-V143 HydrophobicContact CD1-CG2 4.09Å; H34-V143 PolarHBondContact O-N 2.91Å; H34-V143 VanDerWaalsContact O-N 3.12Å; V35-V143 WeakPolarHBondContact CA-O 3.41Å; V35-V143 HydrophobicContact CG2-CB 4.38Å; T36-V143 PolarHBondContact N-O 3.41Å; V143-M273 HydrophobicContact CG2-SD 3.65Å
144C98.3Very high93.4Very high0 Ų038 Ų380%023%0.231CC..EExtended strand (participates in β ladder)trans-111.4114170.3-179.30000109.3M2 K3 Y4 I5 T36 A130M2-C144 HydrophobicContact SD-CB 4.01Å; K3-C144 PolarHBondContact O-N 3.1Å; Y4-C144 WeakPolarHBondContact CA-O 3.41Å; Y4-C144 HydrophobicContact CD1-CB 3.84Å; Y4-C144 HydrophobicContact CE1-CB 4.15Å; I5-C144 PolarHBondContact N-O 2.83Å; T36-C144 HydrophobicContact CG2-CB 3.79Å; T36-C144 WeakPolarHBondContact O-CA 3.36Å; A130-C144 HydrophobicContact CB-CB 3.78Å
145V98.5Very high93.4Very high3 Ų344.4 Ų44.42%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-86122.2170-175.60000108.1V7 A21 V35 T36 A37 I38V7-V145 HydrophobicContact CG2-CG1 4.2Å; A21-V145 HydrophobicContact CB-CG1 3.83Å; V35-V145 HydrophobicContact CG1-CG2 3.95Å; T36-V145 PolarHBondContact O-N 3.25Å; A37-V145 CarbonylContact C-O 3.28Å; A37-V145 VanDerWaalsContact CA-O 3.25Å; A37-V145 WeakPolarHBondContact CA-O 3.37Å; I38-V145 PolarHBondContact N-O 3.41Å
146I98.5Very high93.7Very high0 Ų048.5 Ų48.50%028%0.282CS..EExtended strand (participates in β ladder)trans-112.4119.2-178.4-55.7169.7000107.6Y4 I5 L6 V7 I38 I40 V126 F164Y4-I146 HydrophobicContact CD1-CD1 3.93Å; I5-I146 PolarHBondContact O-N 3.01Å; L6-I146 CarbonylContact C-O 3.53Å; L6-I146 WeakPolarHBondContact CA-O 3.37Å; L6-I146 HydrophobicContact CD1-CB 4.05Å; L6-I146 HydrophobicContact CD1-CG2 3.75Å; V7-I146 PolarHBondContact N-O 3.39Å; I38-I146 HydrophobicContact CB-CG1 4.44Å; I38-I146 CarbonylContact O-C 3.57Å; I38-I146 VanDerWaalsContact O-CA 3.3Å; I38-I146 WeakPolarHBondContact O-CA 3.13Å; I40-I146 HydrophobicContact CD1-CG2 3.7Å; I40-I146 HydrophobicContact CG1-CG2 4.21Å; V126-I146 HydrophobicContact CG1-CD1 3.56Å; I146-F164 HydrophobicContact CD1-CE1 3.78Å; I146-F164 HydrophobicContact CD1-CZ 4.13Å; I146-F164 HydrophobicContact CG2-CE1 4.45Å; I146-F164 HydrophobicContact CG2-CE2 4.42Å; I146-F164 HydrophobicContact CG2-CZ 3.8Å
147E97.8Very high94.2Very high2 Ų244.2 Ų44.21%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-99.6120.1171-167.1-145.2138.900110K17 G18 A21 I38 K39 I40 Y75K17-E147 HydrophobicContact CB-CG 3.94Å; K17-E147 WeakPolarHBondContact CB-OE1 3.38Å; K17-E147 WeakPolarHBondContact CE-OE1 3.46Å; G18-E147 WeakPolarHBondContact CA-OE2 3.46Å; A21-E147 HydrophobicContact CB-CB 4.32Å; A21-E147 HydrophobicContact CB-CG 4.49Å; I38-E147 PolarHBondContact O-N 3.39Å; K39-E147 HydrophobicContact CD-CB 3.92Å; K39-E147 VanDerWaalsContact CD-CD 3.46Å; K39-E147 HydrophobicContact CD-CG 4.2Å; K39-E147 WeakPolarHBondContact CD-OE2 3.3Å; K39-E147 VanDerWaalsContact CE-OE1 3.26Å; K39-E147 WeakPolarHBondContact CE-OE1 3.39Å; K39-E147 WeakPolarHBondContact CE-OE2 3.25Å; K39-E147 IonicContact NZ-OE1 2.7Å; K39-E147 PolarHBondContact NZ-OE1 3.18Å; K39-E147 VanDerWaalsContact NZ-OE1 3.16Å; K39-E147 IonicContact NZ-OE2 2.77Å; I40-E147 PolarHBondContact N-O 3.36Å; Y75-E147 WeakPolarHBondContact OH-CB 3.31Å; Y75-E147 PolarHBondContact OH-OE2 3.01Å
148L96.8Very high94.5Very high4 Ų444.6 Ų44.62%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-89.8109.9168.7-178.159.4000109.5L6 V7 T8 K17 I40 F160 I161L6-L148 HydrophobicContact CD1-CB 4.26Å; V7-L148 PolarHBondContact O-N 3.39Å; T8-L148 HydrophobicContact CG2-CD2 4.36Å; K17-L148 VanDerWaalsContact CE-O 3.25Å; K17-L148 WeakPolarHBondContact CE-O 3.45Å; I40-L148 HydrophobicContact CB-CD1 3.92Å; I40-L148 HydrophobicContact CG2-CD1 3.61Å; L148-F160 HydrophobicContact CD1-CB 3.66Å; L148-F160 HydrophobicContact CD1-CD2 4.26Å; L148-F160 HydrophobicContact CD1-CG 3.98Å; L148-F160 HydrophobicContact CD2-CB 4.28Å; L148-I161 HydrophobicContact CD2-CD1 3.37Å; L148-I161 HydrophobicContact CD2-CG1 3.97Å
149G93.4Very high94.9Very high3 Ų337.5 Ų37.53%0.03121%0.206CC..  trans-60.7169.3172.600000113.1I40I40-G149 WeakPolarHBondContact O-CA 3.47Å; I40-G149 PolarHBondContact O-N 3.29Å
150G90.9Very high95.1Very high19 Ų1934.8 Ų34.820%0.19619%0.189CC..SBendtrans70.5-159.5-175.100000113.7K17K17-G150 PolarHBondContact NZ-O 3.01Å
151T92.5Very high95.2Very high23 Ų2329.9 Ų29.914%0.14117%0.166CC..  trans-122.8148.7176.443.30000111.7G10 I12 G153 D154 S157G10-T151 WeakPolarHBondContact O-CB 3.09Å; G10-T151 WeakPolarHBondContact O-CG2 3.26Å; I12-T151 VanDerWaalsContact C-CG2 3.43Å; T151-G153 PolarHBondContact O-N 3.35Å; T151-D154 PolarHBondContact N-OD2 3.17Å; T151-D154 VanDerWaalsContact N-OD2 3.14Å; T151-D154 PolarHBondContact O-N 3.03Å; T151-D154 VanDerWaalsContact O-OD2 3.14Å; T151-D154 VanDerWaalsContact OG1-CG 3.31Å; T151-D154 PolarHBondContact OG1-OD1 3.25Å; T151-D154 PolarHBondContact OG1-OD2 3.29Å; T151-S157 PolarHBondContact O-OG 3.1Å
152V91.8Very high95.3Very high17 Ų1732 Ų3210%0.10318%0.176CC..THydrogen-bonded Turntrans-67131.6174.6171.90000109G9 I161 E204 L205 L208G9-V152 WeakPolarHBondContact O-CB 3.42Å; G9-V152 WeakPolarHBondContact O-CG2 3.28Å; G9-V152 PolarHBondContact O-N 3.31Å; V152-I161 HydrophobicContact CG2-CD1 4.19Å; V152-E204 HydrophobicContact CG1-CB 4.33Å; V152-E204 HydrophobicContact CG1-CG 4.01Å; V152-L205 HydrophobicContact CG1-CB 4.2Å; V152-L205 HydrophobicContact CG1-CD1 4.18Å; V152-L205 HydrophobicContact CG2-CD1 3.88Å; V152-L208 HydrophobicContact CG1-CD1 3.91Å
153G89.3Confident95.4Very high35 Ų3528.2 Ų28.236%0.36116%0.158SC..THydrogen-bonded Turntrans105.7-12.9-176.600000113.4T151T151-G153 PolarHBondContact O-N 3.35Å
154D92.1Very high95.4Very high65 Ų6528.3 Ų28.335%0.34816%0.158SC..  trans-74.6143.3174.2-63.4-29.5000111.2T151 E156 S157 M158T151-D154 PolarHBondContact N-OD2 3.17Å; T151-D154 VanDerWaalsContact N-OD2 3.14Å; T151-D154 PolarHBondContact O-N 3.03Å; T151-D154 VanDerWaalsContact O-OD2 3.14Å; T151-D154 VanDerWaalsContact OG1-CG 3.31Å; T151-D154 PolarHBondContact OG1-OD1 3.25Å; T151-D154 PolarHBondContact OG1-OD2 3.29Å; D154-E156 PolarHBondContact O-N 2.76Å; D154-S157 PolarHBondContact O-N 3.03Å; D154-S157 PolarHBondContact O-OG 3.47Å; D154-M158 PolarHBondContact O-N 3.26Å
155I94.6Very high95.4Very high141 Ų14131.8 Ų31.872%0.72317%0.172SC*.G310 helixtrans-55-40177.6-64.1174000111S157 M158I155-S157 PolarHBondContact O-N 2.97Å; I155-M158 HydrophobicContact CG1-CE 4.16Å; I155-M158 PolarHBondContact O-N 3.01Å
156E94.1Very high95.4Very high111 Ų11133.5 Ų33.552%0.51918%0.179SC..G310 helixtrans-65.4-28-178.8-48.1-179.6162.300112.6P42 D154P42-E156 HydrophobicContact CB-CB 3.72Å; D154-E156 PolarHBondContact O-N 2.76Å
157S92.9Very high95.4Very high2 Ų233.5 Ų33.51%0.01418%0.179CC..G310 helixtrans-83.8-18.3-178.475.90000113.7T151 D154 I155 F160 I161T151-S157 PolarHBondContact O-OG 3.1Å; D154-S157 PolarHBondContact O-N 3.03Å; D154-S157 PolarHBondContact O-OG 3.47Å; I155-S157 PolarHBondContact O-N 2.97Å; S157-F160 PolarHBondContact O-N 3.38Å; S157-F160 VanDerWaalsContact O-N 3.13Å; S157-I161 PolarHBondContact O-N 3.16Å
158M95.4Very high95.3Very high96 Ų9635.5 Ų35.547%0.47319%0.189SC..Hα-helixtrans-56.3-46.7-171.6-64.2179176.600113.5D154 I155 F160 I161 E162D154-M158 PolarHBondContact O-N 3.26Å; I155-M158 HydrophobicContact CG1-CE 4.16Å; I155-M158 PolarHBondContact O-N 3.01Å; M158-F160 VanDerWaalsContact C-N 3.29Å; M158-F160 PolarHBondContact O-N 2.95Å; M158-I161 PolarHBondContact O-N 3.29Å; M158-E162 PolarHBondContact O-N 3.12Å; M158-E162 VanDerWaalsContact O-N 3.08Å
159P97.3Very high95.2Very high16 Ų1642.1 Ų42.110%0.10422%0.218CC..Hα-helixtrans-63.1-35.5179.6-2234.8000112.8V114 I118 A163V114-P159 HydrophobicContact CG1-CB 4.12Å; V114-P159 HydrophobicContact CG1-CG 4.3Å; I118-P159 HydrophobicContact CG2-CB 4.19Å; P159-A163 WeakPolarHBondContact O-CB 3.33Å; P159-A163 PolarHBondContact O-N 2.95Å
160F98Very high95.4Very high3 Ų347.1 Ų47.11%0.01324%0.239CC..Hα-helixtrans-73.6-43.3-179.1-59.9-73.6000112I40 P42 T91 I122 L148 S157 M158 E162 A163 F164I40-F160 HydrophobicContact CG2-CD1 3.38Å; I40-F160 HydrophobicContact CG2-CD2 4.23Å; I40-F160 HydrophobicContact CG2-CE1 3.39Å; I40-F160 HydrophobicContact CG2-CE2 4.24Å; I40-F160 HydrophobicContact CG2-CG 3.82Å; I40-F160 HydrophobicContact CG2-CZ 3.83Å; P42-F160 HydrophobicContact CB-CD2 4.48Å; P42-F160 HydrophobicContact CB-CE2 4.12Å; T91-F160 WeakPolarHBondContact OG1-CE2 3.4Å; T91-F160 WeakPolarHBondContact OG1-CZ 3.21Å; I122-F160 HydrophobicContact CD1-CD1 3.56Å; I122-F160 HydrophobicContact CD1-CE1 3.81Å; I122-F160 HydrophobicContact CD1-CG 4.35Å; I122-F160 HydrophobicContact CG1-CD1 4.1Å; I122-F160 HydrophobicContact CG1-CE1 4.09Å; I122-F160 HydrophobicContact CG2-CD1 4.22Å; L148-F160 HydrophobicContact CD1-CB 3.66Å; L148-F160 HydrophobicContact CD1-CD2 4.26Å; L148-F160 HydrophobicContact CD1-CG 3.98Å; L148-F160 HydrophobicContact CD2-CB 4.28Å; S157-F160 PolarHBondContact O-N 3.38Å; S157-F160 VanDerWaalsContact O-N 3.13Å; M158-F160 VanDerWaalsContact C-N 3.29Å; M158-F160 PolarHBondContact O-N 2.95Å; F160-E162 VanDerWaalsContact C-N 3.33Å; F160-E162 PolarHBondContact O-N 3.12Å; F160-A163 WeakPolarHBondContact O-CB 3.47Å; F160-A163 PolarHBondContact O-N 3.27Å; F160-F164 WeakPolarHBondContact O-CD2 3.44Å; F160-F164 PolarHBondContact O-N 3.03Å
161I97.4Very high95.6Very high2 Ų247.1 Ų47.11%0.0124%0.235CC..Hα-helixtrans-62.1-43.7176.3-64-68.6000110.4T8 L148 V152 S157 M158 A163 F164 R165 L205 L208 L210T8-I161 HydrophobicContact CG2-CD1 4.3Å; L148-I161 HydrophobicContact CD2-CD1 3.37Å; L148-I161 HydrophobicContact CD2-CG1 3.97Å; V152-I161 HydrophobicContact CG2-CD1 4.19Å; S157-I161 PolarHBondContact O-N 3.16Å; M158-I161 PolarHBondContact O-N 3.29Å; I161-A163 VanDerWaalsContact C-N 3.33Å; I161-A163 PolarHBondContact O-N 2.87Å; I161-F164 PolarHBondContact O-N 2.9Å; I161-R165 WeakPolarHBondContact O-CB 3.42Å; I161-R165 PolarHBondContact O-N 3.2Å; I161-L205 HydrophobicContact CD1-CD1 4.27Å; I161-L208 HydrophobicContact CB-CD1 4.43Å; I161-L208 HydrophobicContact CG1-CD1 4.44Å; I161-L208 HydrophobicContact CG2-CB 3.5Å; I161-L208 HydrophobicContact CG2-CD1 3.89Å; I161-L208 HydrophobicContact CG2-CG 4.3Å; I161-L210 HydrophobicContact CD1-CD1 4.05Å; I161-L210 HydrophobicContact CG2-CD1 3.98Å; I161-L210 HydrophobicContact CG2-CG 4.43Å
162E98.1Very high95.7Very high50 Ų5051.7 Ų51.723%0.23425%0.253CS..Hα-helixtrans-63.3-39.1175.917854.1-152.800111.9V115 T119 M158 F160 F164 R165 Q166V115-E162 HydrophobicContact CG2-CG 3.95Å; T119-E162 HydrophobicContact CG2-CB 4.26Å; T119-E162 HydrophobicContact CG2-CG 3.94Å; M158-E162 PolarHBondContact O-N 3.12Å; M158-E162 VanDerWaalsContact O-N 3.08Å; F160-E162 VanDerWaalsContact C-N 3.33Å; F160-E162 PolarHBondContact O-N 3.12Å; E162-F164 PolarHBondContact O-N 2.97Å; E162-R165 VanDerWaalsContact CD-NE 3.32Å; E162-R165 WeakPolarHBondContact O-CB 3.47Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 IonicContact OE1-CZ 3.17Å; E162-R165 IonicContact OE1-NE 3.93Å; E162-R165 PolarHBondContact OE1-NE 3.33Å; E162-R165 VanDerWaalsContact OE1-NE 3.14Å; E162-R165 IonicContact OE1-NH2 3.79Å; E162-R165 PolarHBondContact OE1-NH2 3.04Å; E162-R165 WeakPolarHBondContact OE2-CD 3.38Å; E162-R165 IonicContact OE2-CZ 2.6Å; E162-R165 IonicContact OE2-NE 2.68Å; E162-R165 PolarHBondContact OE2-NE 2.67Å; E162-R165 IonicContact OE2-NH2 3.77Å; E162-Q166 WeakPolarHBondContact O-CG 3.49Å; E162-Q166 PolarHBondContact O-N 3.15Å; E162-Q166 VanDerWaalsContact O-N 3.15Å; E162-Q166 PolarHBondContact OE1-NE2 3.37Å
163A98.4Very high95.8Very high0 Ų059.5 Ų59.50%028%0.28CS..Hα-helixtrans-59.8-46173.800000111.7T119 I122 Q123 P159 F160 I161 Q166 F167T119-A163 HydrophobicContact CG2-CB 4.07Å; I122-A163 HydrophobicContact CB-CB 3.91Å; I122-A163 HydrophobicContact CD1-CB 4.01Å; I122-A163 HydrophobicContact CG2-CB 3.77Å; Q123-A163 HydrophobicContact CG-CB 4.46Å; P159-A163 WeakPolarHBondContact O-CB 3.33Å; P159-A163 PolarHBondContact O-N 2.95Å; F160-A163 WeakPolarHBondContact O-CB 3.47Å; F160-A163 PolarHBondContact O-N 3.27Å; I161-A163 VanDerWaalsContact C-N 3.33Å; I161-A163 PolarHBondContact O-N 2.87Å; A163-Q166 PolarHBondContact O-N 2.85Å; A163-F167 VanDerWaalsContact O-CB 3.3Å; A163-F167 WeakPolarHBondContact O-CB 3.3Å; A163-F167 PolarHBondContact O-N 2.9Å
164F98.3Very high96.1Very high2 Ų261.5 Ų61.51%0.00928%0.28CS..Hα-helixtrans-72.3-30.1178.4-74.3-63.2000113.8L6 I40 V126 I146 F160 I161 E162 Q166 F167 Q168 F176 L210L6-F164 HydrophobicContact CD1-CD1 4.39Å; L6-F164 HydrophobicContact CD1-CD2 3.88Å; L6-F164 HydrophobicContact CD1-CE1 4.32Å; L6-F164 HydrophobicContact CD1-CE2 3.81Å; L6-F164 HydrophobicContact CD1-CG 4.2Å; L6-F164 HydrophobicContact CD1-CZ 4.04Å; L6-F164 HydrophobicContact CD2-CB 3.81Å; L6-F164 HydrophobicContact CD2-CD1 4.29Å; L6-F164 HydrophobicContact CD2-CD2 3.94Å; L6-F164 HydrophobicContact CD2-CG 3.74Å; I40-F164 HydrophobicContact CD1-CE2 3.41Å; I40-F164 VanDerWaalsContact CD1-CE2 3.41Å; I40-F164 HydrophobicContact CD1-CZ 3.44Å; I40-F164 VanDerWaalsContact CD1-CZ 3.44Å; V126-F164 HydrophobicContact CG2-CE1 4.42Å; V126-F164 HydrophobicContact CG2-CZ 4.14Å; I146-F164 HydrophobicContact CD1-CE1 3.78Å; I146-F164 HydrophobicContact CD1-CZ 4.13Å; I146-F164 HydrophobicContact CG2-CE1 4.45Å; I146-F164 HydrophobicContact CG2-CE2 4.42Å; I146-F164 HydrophobicContact CG2-CZ 3.8Å; F160-F164 WeakPolarHBondContact O-CD2 3.44Å; F160-F164 PolarHBondContact O-N 3.03Å; I161-F164 PolarHBondContact O-N 2.9Å; E162-F164 PolarHBondContact O-N 2.97Å; F164-Q166 VanDerWaalsContact C-N 3.28Å; F164-Q166 PolarHBondContact O-N 2.92Å; F164-F167 HydrophobicContact CD1-CB 4.17Å; F164-F167 AromaticContact CD1-CD1 3.97Å; F164-F167 HydrophobicContact CD1-CD1 3.97Å; F164-F167 HydrophobicContact CD1-CG 4.28Å; F164-F167 HydrophobicContact CE1-CD1 4.3Å; F164-F167 WeakPolarHBondContact O-CB 3.48Å; F164-F167 PolarHBondContact O-N 3.16Å; F164-Q168 PolarHBondContact O-N 3.3Å; F164-Q168 VanDerWaalsContact O-N 3.09Å; F164-F176 HydrophobicContact CB-CZ 4.41Å; F164-F176 HydrophobicContact CD1-CE2 4.06Å; F164-F176 HydrophobicContact CD1-CZ 4.44Å; F164-L210 HydrophobicContact CB-CD1 4.22Å
165R97.4Very high96.4Very high73 Ų7358.6 Ų58.628%0.27527%0.265SS..Hα-helixtrans-59-41.7171.5-172.2-158.167.774.70.6110.9I161 E162 Q168 F169 L208I161-R165 WeakPolarHBondContact O-CB 3.42Å; I161-R165 PolarHBondContact O-N 3.2Å; E162-R165 VanDerWaalsContact CD-NE 3.32Å; E162-R165 WeakPolarHBondContact O-CB 3.47Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 IonicContact OE1-CZ 3.17Å; E162-R165 IonicContact OE1-NE 3.93Å; E162-R165 PolarHBondContact OE1-NE 3.33Å; E162-R165 VanDerWaalsContact OE1-NE 3.14Å; E162-R165 IonicContact OE1-NH2 3.79Å; E162-R165 PolarHBondContact OE1-NH2 3.04Å; E162-R165 WeakPolarHBondContact OE2-CD 3.38Å; E162-R165 IonicContact OE2-CZ 2.6Å; E162-R165 IonicContact OE2-NE 2.68Å; E162-R165 PolarHBondContact OE2-NE 2.67Å; E162-R165 IonicContact OE2-NH2 3.77Å; R165-Q168 WeakPolarHBondContact O-CG 3.16Å; R165-Q168 PolarHBondContact O-NE2 3.09Å; R165-F169 WeakPolarHBondContact O-CD2 3.43Å; R165-F169 WeakPolarHBondContact O-CE2 3.16Å; R165-L208 WeakPolarHBondContact CD-O 3.46Å
166Q98Very high96.6Very high39 Ų3952.2 Ų52.218%0.18223%0.232CC..Hα-helixtrans-73.8-40.6174-64.2172.815.900111.5E162 A163 F164 Q168 F169 K170E162-Q166 WeakPolarHBondContact O-CG 3.49Å; E162-Q166 PolarHBondContact O-N 3.15Å; E162-Q166 VanDerWaalsContact O-N 3.15Å; E162-Q166 PolarHBondContact OE1-NE2 3.37Å; A163-Q166 PolarHBondContact O-N 2.85Å; F164-Q166 VanDerWaalsContact C-N 3.28Å; F164-Q166 PolarHBondContact O-N 2.92Å; Q166-Q168 VanDerWaalsContact C-N 3.34Å; Q166-Q168 PolarHBondContact O-N 2.99Å; Q166-F169 PolarHBondContact O-N 3.42Å; Q166-F169 VanDerWaalsContact O-N 3.14Å; Q166-K170 PolarHBondContact O-N 2.89Å
167F98Very high96.7Very high0 Ų046.9 Ų46.90%021%0.207CC..Hα-helixtrans-56.9-41.5-176.6-169.4-113.4000113.6Y4 Q123 V126 M127 A163 F164 F169 K170 V171 F176Y4-F167 AromaticContact CD1-CE1 3.96Å; Y4-F167 HydrophobicContact CD1-CE1 3.96Å; Y4-F167 HydrophobicContact CD1-CZ 4.07Å; Y4-F167 AromaticContact CD2-CE1 3.8Å; Y4-F167 HydrophobicContact CD2-CE1 3.8Å; Y4-F167 AromaticContact CD2-CZ 4Å; Y4-F167 HydrophobicContact CD2-CZ 4Å; Y4-F167 HydrophobicContact CE1-CE1 4.24Å; Y4-F167 AromaticContact CE1-CZ 3.86Å; Y4-F167 HydrophobicContact CE1-CZ 3.86Å; Y4-F167 HydrophobicContact CE2-CE1 4.12Å; Y4-F167 AromaticContact CE2-CZ 3.82Å; Y4-F167 HydrophobicContact CE2-CZ 3.82Å; Y4-F167 AromaticContact CG-CE1 3.7Å; Y4-F167 HydrophobicContact CG-CE1 3.7Å; Y4-F167 HydrophobicContact CG-CZ 4.11Å; Y4-F167 AromaticContact CZ-CZ 3.73Å; Q123-F167 HydrophobicContact CB-CD2 4.06Å; Q123-F167 HydrophobicContact CG-CB 4.11Å; Q123-F167 HydrophobicContact CG-CD2 3.8Å; Q123-F167 HydrophobicContact CG-CG 4.38Å; V126-F167 HydrophobicContact CG1-CZ 4.14Å; M127-F167 HydrophobicContact CG-CE2 3.56Å; M127-F167 HydrophobicContact CG-CZ 4.05Å; M127-F167 HydrophobicContact SD-CE2 4.07Å; A163-F167 VanDerWaalsContact O-CB 3.3Å; A163-F167 WeakPolarHBondContact O-CB 3.3Å; A163-F167 PolarHBondContact O-N 2.9Å; F164-F167 HydrophobicContact CD1-CB 4.17Å; F164-F167 AromaticContact CD1-CD1 3.97Å; F164-F167 HydrophobicContact CD1-CD1 3.97Å; F164-F167 HydrophobicContact CD1-CG 4.28Å; F164-F167 HydrophobicContact CE1-CD1 4.3Å; F164-F167 WeakPolarHBondContact O-CB 3.48Å; F164-F167 PolarHBondContact O-N 3.16Å; F167-F169 PolarHBondContact O-N 2.93Å; F167-F169 VanDerWaalsContact O-N 3.14Å; F167-K170 WeakPolarHBondContact O-CA 3.2Å; F167-K170 WeakPolarHBondContact O-CB 3.33Å; F167-K170 PolarHBondContact O-N 3.43Å; F167-V171 HydrophobicContact CD1-CG1 4.26Å; F167-V171 HydrophobicContact CD1-CG2 4.24Å; F167-V171 HydrophobicContact CD2-CG1 4.14Å; F167-V171 HydrophobicContact CE1-CG1 3.74Å; F167-V171 HydrophobicContact CE1-CG2 4.1Å; F167-V171 HydrophobicContact CE2-CG1 3.58Å; F167-V171 HydrophobicContact CG-CG1 4.46Å; F167-V171 HydrophobicContact CZ-CG1 3.38Å; F167-V171 WeakPolarHBondContact O-CG2 3.3Å; F167-V171 PolarHBondContact O-N 3.5Å; F167-F176 AromaticContact CD1-CD2 3.86Å; F167-F176 HydrophobicContact CD1-CD2 3.86Å; F167-F176 AromaticContact CD1-CE2 3.91Å; F167-F176 HydrophobicContact CD1-CE2 3.91Å; F167-F176 HydrophobicContact CE1-CD2 4.21Å; F167-F176 HydrophobicContact CE1-CE2 4.47Å
168Q96.2Very high97Very high44 Ų4446.9 Ų46.921%0.20621%0.206CC..Hα-helixtrans-56.9-31.7-179.776.8-171-54.800112.7F164 R165 Q166 K172 F176 G209F164-Q168 PolarHBondContact O-N 3.3Å; F164-Q168 VanDerWaalsContact O-N 3.09Å; R165-Q168 WeakPolarHBondContact O-CG 3.16Å; R165-Q168 PolarHBondContact O-NE2 3.09Å; Q166-Q168 VanDerWaalsContact C-N 3.34Å; Q166-Q168 PolarHBondContact O-N 2.99Å; Q168-K172 CarbonylContact O-C 3.5Å; Q168-K172 WeakPolarHBondContact O-CA 3.39Å; Q168-K172 PolarHBondContact O-N 3.34Å; Q168-F176 HydrophobicContact CB-CB 4.45Å; Q168-F176 HydrophobicContact CB-CD1 3.71Å; Q168-F176 HydrophobicContact CB-CE1 4.08Å; Q168-F176 HydrophobicContact CB-CG 4.04Å; Q168-G209 PolarHBondContact NE2-O 2.93Å
169F95.8Very high97.1Very high143 Ų14342.3 Ų42.363%0.62718%0.184SC*.Hα-helixtrans-78.8-36.8176.3-58.3-67.6000111.6R165 Q166 F167 K172R165-F169 WeakPolarHBondContact O-CD2 3.43Å; R165-F169 WeakPolarHBondContact O-CE2 3.16Å; Q166-F169 PolarHBondContact O-N 3.42Å; Q166-F169 VanDerWaalsContact O-N 3.14Å; F167-F169 PolarHBondContact O-N 2.93Å; F167-F169 VanDerWaalsContact O-N 3.14Å; F169-K172 PolarHBondContact O-N 3.44Å
170K96.1Very high97.2Very high109 Ų10941.5 Ų41.547%0.47418%0.179SC..Hα-helixtrans-64.3-43178.9-170.1171.9-173.2167.50112.2M127 Q166 F167M127-K170 HydrophobicContact CE-CD 4.37Å; M127-K170 HydrophobicContact SD-CD 4.29Å; Q166-K170 PolarHBondContact O-N 2.89Å; F167-K170 WeakPolarHBondContact O-CA 3.2Å; F167-K170 WeakPolarHBondContact O-CB 3.33Å; F167-K170 PolarHBondContact O-N 3.43Å
171V96Very high97.2Very high19 Ų1941.4 Ų41.412%0.11518%0.178CC..Hα-helixtrans-90.8-9-179.5-56.50000113.9Y4 F167 N175 F176Y4-V171 HydrophobicContact CD2-CB 4.36Å; Y4-V171 HydrophobicContact CD2-CG1 4.17Å; Y4-V171 HydrophobicContact CD2-CG2 4.25Å; Y4-V171 HydrophobicContact CE2-CB 4.31Å; Y4-V171 HydrophobicContact CE2-CG1 3.81Å; F167-V171 HydrophobicContact CD1-CG1 4.26Å; F167-V171 HydrophobicContact CD1-CG2 4.24Å; F167-V171 HydrophobicContact CD2-CG1 4.14Å; F167-V171 HydrophobicContact CE1-CG1 3.74Å; F167-V171 HydrophobicContact CE1-CG2 4.1Å; F167-V171 HydrophobicContact CE2-CG1 3.58Å; F167-V171 HydrophobicContact CG-CG1 4.46Å; F167-V171 HydrophobicContact CZ-CG1 3.38Å; F167-V171 WeakPolarHBondContact O-CG2 3.3Å; F167-V171 PolarHBondContact O-N 3.5Å; V171-N175 HydrophobicContact CB-CB 4.31Å; V171-N175 HydrophobicContact CG2-CB 4.31Å; V171-N175 WeakPolarHBondContact O-CB 3.33Å; V171-N175 PolarHBondContact O-ND2 2.87Å; V171-F176 HydrophobicContact CG2-CB 3.86Å; V171-F176 HydrophobicContact CG2-CD2 4.49Å
172K95.2Very high97.2Very high119 Ų11941.3 Ų41.352%0.51718%0.178SC..  trans73.7156.4-172.2-46.5176.6179.5-178.70114.3Q168 F169 E174 N175Q168-K172 CarbonylContact O-C 3.5Å; Q168-K172 WeakPolarHBondContact O-CA 3.39Å; Q168-K172 PolarHBondContact O-N 3.34Å; F169-K172 PolarHBondContact O-N 3.44Å; K172-E174 VanDerWaalsContact C-N 3.35Å; K172-E174 WeakPolarHBondContact CB-OE2 3.42Å; K172-E174 VanDerWaalsContact CD-OE1 3.26Å; K172-E174 WeakPolarHBondContact CD-OE1 3.33Å; K172-E174 PolarHBondContact O-N 3.45Å; K172-N175 PolarHBondContact O-N 2.87Å; K172-N175 VanDerWaalsContact O-N 3.13Å
173R93.3Very high97.1Very high180 Ų18040.9 Ų40.968%0.67918%0.177SC*.G310 helixtrans-58.4-42.5-173.5-178.6178.1171.484.82.1112.5N175 F176 R270R173-N175 PolarHBondContact O-N 2.83Å; R173-F176 PolarHBondContact O-N 3.17Å; R173-F176 VanDerWaalsContact O-O 3.07Å; R173-R270 PolarHBondContact O-NH1 2.82Å; R173-R270 PolarHBondContact O-NH2 3.29Å
174E96Very high97Very high78 Ų7841 Ų4136%0.36418%0.177SC..G310 helixtrans-72.6-3.2-17868.7-83.7-165.100114.4K3 K172 L271K3-E174 PolarHBondContact NZ-O 3.3Å; K172-E174 VanDerWaalsContact C-N 3.35Å; K172-E174 WeakPolarHBondContact CB-OE2 3.42Å; K172-E174 VanDerWaalsContact CD-OE1 3.26Å; K172-E174 WeakPolarHBondContact CD-OE1 3.33Å; K172-E174 PolarHBondContact O-N 3.45Å; E174-L271 CarbonylContact O-C 3.59Å; E174-L271 WeakPolarHBondContact O-CA 3.36Å; E174-L271 VanDerWaalsContact O-O 3.07Å
175N97.6Very high96.8Very high4 Ų442.8 Ų42.82%0.02119%0.19CC..G310 helixtrans-116.21.1177.6-59.1-48.4000113M1 K3 Y4 V171 K172 R173M1-N175 PolarHBondContact SD-ND2 3.48Å; K3-N175 HydrophobicContact CD-CB 4.3Å; K3-N175 WeakPolarHBondContact CD-OD1 2.91Å; K3-N175 WeakPolarHBondContact CE-OD1 3.3Å; K3-N175 PolarHBondContact NZ-OD1 3.33Å; Y4-N175 PolarHBondContact N-O 2.88Å; V171-N175 HydrophobicContact CB-CB 4.31Å; V171-N175 HydrophobicContact CG2-CB 4.31Å; V171-N175 WeakPolarHBondContact O-CB 3.33Å; V171-N175 PolarHBondContact O-ND2 2.87Å; K172-N175 PolarHBondContact O-N 2.87Å; K172-N175 VanDerWaalsContact O-N 3.13Å; R173-N175 PolarHBondContact O-N 2.83Å
176F98.3Very high96.6Very high6 Ų642 Ų423%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-131.1128.1-179-172.1-95000111.1Y4 L6 F164 F167 Q168 V171 R173 N178 L210 R270Y4-F176 WeakPolarHBondContact O-CA 3.27Å; L6-F176 HydrophobicContact CB-CE2 3.97Å; L6-F176 HydrophobicContact CB-CZ 3.7Å; L6-F176 HydrophobicContact CD2-CZ 3.78Å; L6-F176 HydrophobicContact CG-CZ 4.39Å; F164-F176 HydrophobicContact CB-CZ 4.41Å; F164-F176 HydrophobicContact CD1-CE2 4.06Å; F164-F176 HydrophobicContact CD1-CZ 4.44Å; F167-F176 AromaticContact CD1-CD2 3.86Å; F167-F176 HydrophobicContact CD1-CD2 3.86Å; F167-F176 AromaticContact CD1-CE2 3.91Å; F167-F176 HydrophobicContact CD1-CE2 3.91Å; F167-F176 HydrophobicContact CE1-CD2 4.21Å; F167-F176 HydrophobicContact CE1-CE2 4.47Å; Q168-F176 HydrophobicContact CB-CB 4.45Å; Q168-F176 HydrophobicContact CB-CD1 3.71Å; Q168-F176 HydrophobicContact CB-CE1 4.08Å; Q168-F176 HydrophobicContact CB-CG 4.04Å; V171-F176 HydrophobicContact CG2-CB 3.86Å; V171-F176 HydrophobicContact CG2-CD2 4.49Å; R173-F176 PolarHBondContact O-N 3.17Å; R173-F176 VanDerWaalsContact O-O 3.07Å; F176-N178 HydrophobicContact CE1-CB 4.28Å; F176-L210 HydrophobicContact CE1-CD2 4.29Å; F176-R270 PolarHBondContact O-NH2 3.3Å
177C98.2Very high96.4Very high0 Ų043.1 Ų43.10%020%0.2CC..EExtended strand (participates in β ladder)trans-128.5137.8175.51800000109.7Y4 I5 L6 D213 L271Y4-C177 PolarHBondContact O-N 3.19Å; I5-C177 CarbonylContact C-O 3.44Å; I5-C177 WeakPolarHBondContact CA-O 3.45Å; I5-C177 HydrophobicContact CG1-CB 4.39Å; L6-C177 PolarHBondContact N-O 2.76Å; C177-D213 VanDerWaalsContact CA-OD2 3.28Å; C177-D213 WeakPolarHBondContact CA-OD2 3.44Å; C177-L271 HydrophobicContact CB-CD1 3.99Å; C177-L271 HydrophobicContact CB-CD2 3.82Å; C177-L271 HydrophobicContact CB-CG 4.04Å
178N98.3Very high96Very high1 Ų149.1 Ų49.11%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-113.8120.4177.6179.927.6000111.4L6 F176 S211 D213 L214L6-N178 CarbonylContact O-C 3.51Å; L6-N178 WeakPolarHBondContact O-CA 3.26Å; L6-N178 PolarHBondContact O-OD1 3.34Å; F176-N178 HydrophobicContact CE1-CB 4.28Å; N178-S211 WeakPolarHBondContact CB-O 3.46Å; N178-S211 PolarHBondContact ND2-O 3.46Å; N178-D213 PolarHBondContact N-OD2 2.89Å; N178-D213 WeakPolarHBondContact O-CA 3.35Å; N178-D213 WeakPolarHBondContact O-CB 3.48Å; N178-D213 PolarHBondContact O-N 3.26Å; N178-L214 PolarHBondContact O-N 3.48Å
179I98.5Very high95.8Very high0 Ų051.9 Ų51.90%027%0.272CS..EExtended strand (participates in β ladder)trans-103.4121.5172.6-58-179.4000107.6I5 L6 V7 T8 I20 V24 L214 M216I5-I179 HydrophobicContact CG2-CD1 3.49Å; I5-I179 VanDerWaalsContact CG2-CD1 3.49Å; I5-I179 HydrophobicContact CG2-CG1 3.9Å; L6-I179 PolarHBondContact O-N 3.21Å; V7-I179 CarbonylContact C-O 3.4Å; V7-I179 VanDerWaalsContact CA-O 3.31Å; V7-I179 WeakPolarHBondContact CA-O 3.35Å; V7-I179 HydrophobicContact CG2-CB 4.28Å; T8-I179 PolarHBondContact N-O 2.78Å; T8-I179 PolarHBondContact OG1-O 2.89Å; I20-I179 HydrophobicContact CG2-CG2 4.48Å; V24-I179 HydrophobicContact CG1-CD1 4.36Å; V24-I179 HydrophobicContact CG2-CD1 3.93Å; I179-L214 HydrophobicContact CD1-CD1 4.37Å; I179-L214 HydrophobicContact CG1-CB 4.26Å; I179-L214 HydrophobicContact CG1-CD1 4.3Å; I179-L214 HydrophobicContact CG2-CB 4.44Å; I179-M216 HydrophobicContact CD1-CE 4.03Å; I179-M216 HydrophobicContact CG2-CB 4.46Å; I179-M216 HydrophobicContact CG2-CE 3.85Å; I179-M216 HydrophobicContact CG2-CG 3.72Å; I179-M216 HydrophobicContact CG2-SD 3.77Å
180H98.2Very high95.5Very high0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-106.8118.9176.7-171.662.7000110.9T8 S201 L205 P212 L214 I215 M216T8-H180 PolarHBondContact OG1-ND1 2.65Å; H180-S201 PolarHBondContact CE1-OG 3.48Å; H180-S201 VanDerWaalsContact CE1-OG 3.29Å; H180-S201 PolarHBondContact NE2-OG 2.99Å; H180-L205 HydrophobicContact CB-CD2 3.99Å; H180-P212 HydrophobicContact CB-CB 3.8Å; H180-L214 PolarHBondContact N-O 2.6Å; H180-I215 WeakPolarHBondContact O-CA 3.24Å; H180-M216 PolarHBondContact O-N 3.16Å
181V97.9Very high95.2Very high0 Ų045.7 Ų45.70%026%0.263CS..EExtended strand (participates in β ladder)trans-94.2123.3-179.8-173.40000109.6V7 T8 G10 I15 I20 M216V7-V181 HydrophobicContact CG1-CG2 3.73Å; T8-V181 PolarHBondContact O-N 2.73Å; G10-V181 PolarHBondContact N-O 3.43Å; I15-V181 HydrophobicContact CD1-CG1 4.23Å; I15-V181 HydrophobicContact CG1-CG1 4.22Å; I15-V181 HydrophobicContact CG2-CB 4.38Å; I15-V181 HydrophobicContact CG2-CG1 3.71Å; I20-V181 HydrophobicContact CB-CG2 4.4Å; I20-V181 HydrophobicContact CD1-CB 4.22Å; I20-V181 HydrophobicContact CD1-CG1 3.45Å; I20-V181 VanDerWaalsContact CD1-CG1 3.45Å; I20-V181 HydrophobicContact CD1-CG2 3.68Å; I20-V181 HydrophobicContact CG2-CG2 4.01Å; V181-M216 WeakPolarHBondContact CA-O 3.47Å; V181-M216 HydrophobicContact CG2-CB 4.41Å
182S96.7Very high95Very high0 Ų049 Ų490%028%0.277CS..EExtended strand (participates in β ladder)trans-137.6151.9-174.9-164.40000112.6V11 T198 M216 C217 R218V11-S182 WeakPolarHBondContact CG2-OG 3.48Å; S182-T198 WeakPolarHBondContact CB-OG1 3.13Å; S182-T198 WeakPolarHBondContact OG-CA 3.35Å; S182-T198 WeakPolarHBondContact OG-CB 3.48Å; S182-T198 PolarHBondContact OG-OG1 3.36Å; S182-M216 PolarHBondContact N-O 3.49Å; S182-C217 CarbonylContact O-C 3.53Å; S182-C217 WeakPolarHBondContact O-CA 3.33Å; S182-R218 PolarHBondContact O-N 2.88Å
183L96.4Very high95Very high41 Ų4143.8 Ų43.822%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-92.8130.2-177.9-174.869.3000109.8V11 I12 I15 P185 T198 R218V11-L183 HydrophobicContact CB-CB 4.07Å; V11-L183 HydrophobicContact CG1-CB 4.46Å; V11-L183 HydrophobicContact CG2-CB 4.32Å; I12-L183 HydrophobicContact CD1-CD2 3.87Å; I12-L183 HydrophobicContact CG1-CD2 4.25Å; I15-L183 HydrophobicContact CD1-CB 3.62Å; I15-L183 HydrophobicContact CD1-CD1 4.47Å; I15-L183 VanDerWaalsContact CD1-N 3.25Å; L183-P185 WeakPolarHBondContact O-CD 3.43Å; L183-T198 PolarHBondContact O-OG1 3.44Å; L183-R218 HydrophobicContact CD1-CB 4.4Å; L183-R218 HydrophobicContact CD1-CG 4.32Å
184I96.6Very high95.1Very high2 Ų237.7 Ų37.71%0.0123%0.233CC..  trans-103.891.5166.4-56.2-63.1000107.7Q193 T198 C217 R218 C219 L223 I231I184-Q193 HydrophobicContact CG2-CB 3.92Å; I184-T198 WeakPolarHBondContact CD1-OG1 3.46Å; I184-C217 HydrophobicContact CG1-CB 3.7Å; I184-R218 PolarHBondContact N-O 2.88Å; I184-C219 HydrophobicContact CB-CB 4.24Å; I184-L223 HydrophobicContact CB-CD2 4.23Å; I184-L223 HydrophobicContact CG1-CD2 4.17Å; I184-L223 HydrophobicContact CG2-CD2 3.93Å; I184-I231 HydrophobicContact CD1-CD1 3.64Å; I184-I231 HydrophobicContact CG1-CD1 4.32Å
185P94.6Very high95.2Very high41 Ų4134.1 Ų34.127%0.26622%0.216SC..  trans-70.4143.9178.227.4-32.9000110.8L183 K194 P197L183-P185 WeakPolarHBondContact O-CD 3.43Å; P185-K194 WeakPolarHBondContact CD-O 3.28Å; P185-K194 HydrophobicContact CG-CB 4.26Å; P185-K194 PolarHBondContact O-N 3.26Å; P185-P197 HydrophobicContact CG-CG 3.97Å
186Q93.8Very high95.1Very high57 Ų5738.3 Ų38.327%0.26624%0.235SC..  trans-126.785.5174.7-172178.81500108.3S188 G191 Q193 T220 T221Q186-S188 PolarHBondContact O-N 3.27Å; Q186-G191 WeakPolarHBondContact CG-O 3.4Å; Q186-G191 PolarHBondContact NE2-O 3.47Å; Q186-Q193 HydrophobicContact CG-CG 4.29Å; Q186-T220 PolarHBondContact OE1-OG1 3.24Å; Q186-T221 PolarHBondContact OE1-OG1 3.16Å
187P91.9Very high95Very high61 Ų6139.8 Ų39.840%0.39625%0.245SC..  trans-60.3127.5-178.4-2233.3000110.5A189 T190 G191P187-A189 PolarHBondContact O-N 2.96Å; P187-A189 VanDerWaalsContact O-N 3.14Å; P187-T190 PolarHBondContact O-N 2.9Å; P187-T190 PolarHBondContact O-OG1 3.03Å; P187-G191 PolarHBondContact O-N 3.17Å
188S91.4Very high94.9Very high127 Ų12739.8 Ų39.889%0.88825%0.245SC*.THydrogen-bonded Turntrans-56.1-33-176.753.70000113.2Q186 T190Q186-S188 PolarHBondContact O-N 3.27Å; S188-T190 VanDerWaalsContact C-N 3.25Å; S188-T190 PolarHBondContact O-N 2.94Å
189A91Very high94.9Very high101 Ų10141.4 Ų41.484%0.83525%0.252SS*.THydrogen-bonded Turntrans-63.2-27.2176.600000114.1P187P187-A189 PolarHBondContact O-N 2.96Å; P187-A189 VanDerWaalsContact O-N 3.14Å
190T89.9Confident94.8Very high84 Ų8445.5 Ų45.552%0.51527%0.274SS..THydrogen-bonded Turntrans-113.1-25.9-176.662.30000113.7P187 S188 E192P187-T190 PolarHBondContact O-N 2.9Å; P187-T190 PolarHBondContact O-OG1 3.03Å; S188-T190 VanDerWaalsContact C-N 3.25Å; S188-T190 PolarHBondContact O-N 2.94Å; T190-E192 PolarHBondContact O-N 3.07Å
191G88.8Confident94.7Very high39 Ų3946 Ų4640%0.40228%0.278SS..  trans66.5-6-174.300000115.3Q186 P187Q186-G191 WeakPolarHBondContact CG-O 3.4Å; Q186-G191 PolarHBondContact NE2-O 3.47Å; P187-G191 PolarHBondContact O-N 3.17Å
192E92.5Very high94.7Very high88 Ų8846 Ų4641%0.41128%0.278SS..PPolyproline II helixtrans-87.8132.2-176.1-171.3-164.4134.500111.8T190 K194T190-E192 PolarHBondContact O-N 3.07Å; E192-K194 HydrophobicContact CG-CD 4.48Å; E192-K194 PolarHBondContact O-N 3.1Å; E192-K194 IonicContact OE1-NZ 2.66Å; E192-K194 PolarHBondContact OE1-NZ 2.93Å; E192-K194 IonicContact OE2-NZ 2.61Å; E192-K194 PolarHBondContact OE2-NZ 3.45Å
193Q95.6Very high94.7Very high10 Ų1053.3 Ų53.35%0.04731%0.305CS..PPolyproline II helixtrans-69.6116.2173.4-67.2178.2-15.800110.8I184 Q186 T221 A222 E224 V227I184-Q193 HydrophobicContact CG2-CB 3.92Å; Q186-Q193 HydrophobicContact CG-CG 4.29Å; Q193-T221 PolarHBondContact NE2-OG1 3.38Å; Q193-T221 VanDerWaalsContact NE2-OG1 3.08Å; Q193-A222 PolarHBondContact NE2-O 2.88Å; Q193-E224 VanDerWaalsContact OE1-N 3.15Å; Q193-V227 HydrophobicContact CB-CG1 4.27Å; Q193-V227 HydrophobicContact CB-CG2 4.01Å
194K95.8Very high94.7Very high52 Ų5255.2 Ų55.223%0.22631%0.313CS..PPolyproline II helixtrans-97.4117.3-174.6-58.7-61.5178.5179.20111.8P185 E192P185-K194 WeakPolarHBondContact CD-O 3.28Å; P185-K194 HydrophobicContact CG-CB 4.26Å; P185-K194 PolarHBondContact O-N 3.26Å; E192-K194 HydrophobicContact CG-CD 4.48Å; E192-K194 PolarHBondContact O-N 3.1Å; E192-K194 IonicContact OE1-NZ 2.66Å; E192-K194 PolarHBondContact OE1-NZ 2.93Å; E192-K194 IonicContact OE2-NZ 2.61Å; E192-K194 PolarHBondContact OE2-NZ 3.45Å
195T96.6Very high94.7Very high2 Ų255.1 Ų55.11%0.01231%0.312CS..  trans-88-12.8-178.661.70000115.4T198 Q199 V227 K230 I231T195-T198 WeakPolarHBondContact O-CB 3.11Å; T195-T198 PolarHBondContact O-N 2.97Å; T195-Q199 WeakPolarHBondContact O-CG 3.48Å; T195-Q199 PolarHBondContact O-N 3.48Å; T195-Q199 VanDerWaalsContact O-N 3.12Å; T195-Q199 PolarHBondContact OG1-NE2 3.43Å; T195-V227 HydrophobicContact CG2-CG1 3.56Å; T195-K230 HydrophobicContact CG2-CD 4.17Å; T195-K230 HydrophobicContact CG2-CG 4.47Å; T195-I231 HydrophobicContact CG2-CD1 4.02Å; T195-I231 HydrophobicContact CG2-CG1 3.66Å
196K96.7Very high94.9Very high93 Ų9356.6 Ų56.640%0.40431%0.313SS..Hα-helixtrans-61-40.7-170.3-73.179.3175.3-167.50113.3T198 Q199 N200K196-T198 VanDerWaalsContact C-N 3.3Å; K196-T198 PolarHBondContact O-N 3.23Å; K196-Q199 WeakPolarHBondContact O-CB 3.31Å; K196-Q199 PolarHBondContact O-N 3.31Å; K196-N200 PolarHBondContact O-N 3.09Å
197P95.7Very high95Very high37 Ų3757.1 Ų57.124%0.2433%0.334CS..Hα-helixtrans-57.1-43.4175.1-27.237.4000112.7V11 P185 Q199 N200 S201V11-P197 HydrophobicContact CB-CB 4.41Å; V11-P197 HydrophobicContact CG1-CB 3.8Å; V11-P197 HydrophobicContact CG2-CB 3.62Å; P185-P197 HydrophobicContact CG-CG 3.97Å; P197-Q199 PolarHBondContact O-N 3.15Å; P197-N200 PolarHBondContact O-N 2.86Å; P197-S201 WeakPolarHBondContact O-CB 3.5Å; P197-S201 PolarHBondContact O-N 2.99Å
198T97Very high95.2Very high0 Ų056.6 Ų56.60%033%0.327CS..Hα-helixtrans-62.6-42175.5-56.80000112.9S182 L183 I184 T195 K196 N200 S201 V202 I215 I231S182-T198 WeakPolarHBondContact CB-OG1 3.13Å; S182-T198 WeakPolarHBondContact OG-CA 3.35Å; S182-T198 WeakPolarHBondContact OG-CB 3.48Å; S182-T198 PolarHBondContact OG-OG1 3.36Å; L183-T198 PolarHBondContact O-OG1 3.44Å; I184-T198 WeakPolarHBondContact CD1-OG1 3.46Å; T195-T198 WeakPolarHBondContact O-CB 3.11Å; T195-T198 PolarHBondContact O-N 2.97Å; K196-T198 VanDerWaalsContact C-N 3.3Å; K196-T198 PolarHBondContact O-N 3.23Å; T198-N200 PolarHBondContact O-N 3.24Å; T198-S201 PolarHBondContact O-N 3.43Å; T198-V202 HydrophobicContact CG2-CG2 4.4Å; T198-V202 WeakPolarHBondContact O-CG2 3.5Å; T198-V202 PolarHBondContact O-N 2.88Å; T198-I215 HydrophobicContact CG2-CG2 3.97Å; T198-I231 HydrophobicContact CG2-CG2 4.33Å
199Q96.9Very high95.4Very high34 Ų3452.1 Ų52.116%0.15930%0.301CS..Hα-helixtrans-60.9-44.5178.2-64.4168.5-1.200111.8T195 K196 P197 R203 F234T195-Q199 WeakPolarHBondContact O-CG 3.48Å; T195-Q199 PolarHBondContact O-N 3.48Å; T195-Q199 VanDerWaalsContact O-N 3.12Å; T195-Q199 PolarHBondContact OG1-NE2 3.43Å; K196-Q199 WeakPolarHBondContact O-CB 3.31Å; K196-Q199 PolarHBondContact O-N 3.31Å; P197-Q199 PolarHBondContact O-N 3.15Å; Q199-R203 WeakPolarHBondContact O-CB 3.34Å; Q199-R203 PolarHBondContact O-N 3.34Å; Q199-F234 HydrophobicContact CG-CB 3.76Å; Q199-F234 HydrophobicContact CG-CG 4.31Å
200N96.5Very high95.7Very high86 Ų8647.3 Ų47.346%0.4626%0.261SS..Hα-helixtrans-66.2-43.7177.7-72.6-14.8000111.7K196 P197 T198 V202 R203 E204K196-N200 PolarHBondContact O-N 3.09Å; P197-N200 PolarHBondContact O-N 2.86Å; T198-N200 PolarHBondContact O-N 3.24Å; N200-V202 PolarHBondContact O-N 3Å; N200-R203 WeakPolarHBondContact O-CB 3.37Å; N200-R203 PolarHBondContact O-N 3.26Å; N200-E204 PolarHBondContact O-N 2.7Å
201S96.4Very high96Very high11 Ų1146.9 Ų46.98%0.07726%0.262CS..Hα-helixtrans-60.3-44.1178.1-170.80000112.4G10 H180 P197 T198 E204 L205G10-S201 WeakPolarHBondContact CA-OG 3.42Å; H180-S201 PolarHBondContact CE1-OG 3.48Å; H180-S201 VanDerWaalsContact CE1-OG 3.29Å; H180-S201 PolarHBondContact NE2-OG 2.99Å; P197-S201 WeakPolarHBondContact O-CB 3.5Å; P197-S201 PolarHBondContact O-N 2.99Å; T198-S201 PolarHBondContact O-N 3.43Å; S201-E204 PolarHBondContact O-N 2.75Å; S201-L205 PolarHBondContact O-N 2.91Å
202V97.7Very high96.4Very high0 Ų045.5 Ų45.50%025%0.246CC..Hα-helixtrans-68.8-35.4176172.20000111.7T198 N200 E204 R206 P212 I215 C235T198-V202 HydrophobicContact CG2-CG2 4.4Å; T198-V202 WeakPolarHBondContact O-CG2 3.5Å; T198-V202 PolarHBondContact O-N 2.88Å; N200-V202 PolarHBondContact O-N 3Å; V202-E204 VanDerWaalsContact C-N 3.33Å; V202-R206 HydrophobicContact CG1-CG 4.4Å; V202-R206 WeakPolarHBondContact O-CB 3.35Å; V202-R206 WeakPolarHBondContact O-CG 3.24Å; V202-R206 PolarHBondContact O-N 2.78Å; V202-P212 HydrophobicContact CG1-CG 3.94Å; V202-P212 HydrophobicContact CG2-CG 4.4Å; V202-I215 HydrophobicContact CG2-CD1 4.05Å; V202-C235 HydrophobicContact CB-CB 4.4Å; V202-C235 HydrophobicContact CG1-CB 3.96Å; V202-C235 HydrophobicContact CG2-CB 4.32Å
203R97.3Very high96.7Very high154 Ų15442.1 Ų42.158%0.58123%0.23SC*.Hα-helixtrans-60.8-44.3173.4-175.1-17468.4-175.60.3111Q199 N200 R206 G207Q199-R203 WeakPolarHBondContact O-CB 3.34Å; Q199-R203 PolarHBondContact O-N 3.34Å; N200-R203 WeakPolarHBondContact O-CB 3.37Å; N200-R203 PolarHBondContact O-N 3.26Å; R203-R206 PolarHBondContact O-N 3.13Å; R203-G207 PolarHBondContact O-N 3.08Å
204E96.5Very high96.8Very high80 Ų8041.7 Ų41.737%0.37423%0.228SC..Hα-helixtrans-62.2-51.1177.9-168.261.9-157.400111.3V152 N200 S201 V202 R206 G207 L208V152-E204 HydrophobicContact CG1-CB 4.33Å; V152-E204 HydrophobicContact CG1-CG 4.01Å; N200-E204 PolarHBondContact O-N 2.7Å; S201-E204 PolarHBondContact O-N 2.75Å; V202-E204 VanDerWaalsContact C-N 3.33Å; E204-R206 VanDerWaalsContact C-N 3.28Å; E204-R206 PolarHBondContact O-N 3.34Å; E204-G207 WeakPolarHBondContact O-CA 2.94Å; E204-G207 PolarHBondContact O-N 3.07Å; E204-L208 WeakPolarHBondContact O-CG 3.33Å; E204-L208 PolarHBondContact O-N 3.45Å
205L97.2Very high96.9Very high0 Ų039.2 Ų39.20%022%0.218CC..Hα-helixtrans-55.2-43.3178-173.965.7000112.4T8 V152 I161 H180 S201 L208 G209 L210 P212T8-L205 HydrophobicContact CG2-CD1 4.41Å; V152-L205 HydrophobicContact CG1-CB 4.2Å; V152-L205 HydrophobicContact CG1-CD1 4.18Å; V152-L205 HydrophobicContact CG2-CD1 3.88Å; I161-L205 HydrophobicContact CD1-CD1 4.27Å; H180-L205 HydrophobicContact CB-CD2 3.99Å; S201-L205 PolarHBondContact O-N 2.91Å; L205-L208 PolarHBondContact O-N 3.06Å; L205-G209 PolarHBondContact O-N 3.34Å; L205-L210 CarbonylContact C-O 3.55Å; L205-L210 HydrophobicContact CD1-CB 3.83Å; L205-L210 HydrophobicContact CD1-CD1 4.14Å; L205-L210 HydrophobicContact CG-CB 3.96Å; L205-L210 PolarHBondContact O-N 3.21Å; L205-L210 VanDerWaalsContact O-N 3.15Å; L205-P212 HydrophobicContact CD2-CB 4.46Å
206R96.9Very high97Very high72 Ų7239.1 Ų39.127%0.27222%0.217SC..Hα-helixtrans-68-37.5176-72.5-173.6-59-171.64.7112.7V202 R203 E204 L208 G209 L210 C235 H236V202-R206 HydrophobicContact CG1-CG 4.4Å; V202-R206 WeakPolarHBondContact O-CB 3.35Å; V202-R206 WeakPolarHBondContact O-CG 3.24Å; V202-R206 PolarHBondContact O-N 2.78Å; R203-R206 PolarHBondContact O-N 3.13Å; E204-R206 VanDerWaalsContact C-N 3.28Å; E204-R206 PolarHBondContact O-N 3.34Å; R206-L208 PolarHBondContact O-N 2.77Å; R206-G209 WeakPolarHBondContact O-CA 3.21Å; R206-G209 PolarHBondContact O-N 2.62Å; R206-L210 WeakPolarHBondContact CA-O 3.45Å; R206-L210 PolarHBondContact N-O 2.89Å; R206-C235 PolarHBondContact NH1-O 3.15Å; R206-C235 VanDerWaalsContact NH1-O 3.1Å; R206-H236 VanDerWaalsContact NH1-CG 3.31Å; R206-H236 PolarHBondContact NH1-ND1 3.33Å
207G96.9Very high97Very high69 Ų6934.7 Ų34.771%0.71120%0.198SC*.Hα-helixtrans-59.1-32173.600000112.5R203 E204 G209R203-G207 PolarHBondContact O-N 3.08Å; E204-G207 WeakPolarHBondContact O-CA 2.94Å; E204-G207 PolarHBondContact O-N 3.07Å; G207-G209 VanDerWaalsContact C-N 3.3Å
208L96.3Very high97.1Very high50 Ų5035.7 Ų35.726%0.26220%0.197SC..THydrogen-bonded Turntrans-85.32.6174.4-57.5172.5000113.7V152 I161 R165 E204 L205 R206V152-L208 HydrophobicContact CG1-CD1 3.91Å; I161-L208 HydrophobicContact CB-CD1 4.43Å; I161-L208 HydrophobicContact CG1-CD1 4.44Å; I161-L208 HydrophobicContact CG2-CB 3.5Å; I161-L208 HydrophobicContact CG2-CD1 3.89Å; I161-L208 HydrophobicContact CG2-CG 4.3Å; R165-L208 WeakPolarHBondContact CD-O 3.46Å; E204-L208 WeakPolarHBondContact O-CG 3.33Å; E204-L208 PolarHBondContact O-N 3.45Å; L205-L208 PolarHBondContact O-N 3.06Å; R206-L208 PolarHBondContact O-N 2.77Å
209G95.6Very high96.9Very high32 Ų3236 Ų3633%0.3320%0.198SC..THydrogen-bonded Turntrans88.912.4172.400000116.1Q168 L205 R206 G207Q168-G209 PolarHBondContact NE2-O 2.93Å; L205-G209 PolarHBondContact O-N 3.34Å; R206-G209 WeakPolarHBondContact O-CA 3.21Å; R206-G209 PolarHBondContact O-N 2.62Å; G207-G209 VanDerWaalsContact C-N 3.3Å
210L96.6Very high96.7Very high0 Ų037.8 Ų37.80%021%0.212CC..  trans-108.6134.2170.6-69.3178.8000110.5L6 I161 F164 F176 L205 R206L6-L210 HydrophobicContact CD2-CD1 3.93Å; I161-L210 HydrophobicContact CD1-CD1 4.05Å; I161-L210 HydrophobicContact CG2-CD1 3.98Å; I161-L210 HydrophobicContact CG2-CG 4.43Å; F164-L210 HydrophobicContact CB-CD1 4.22Å; F176-L210 HydrophobicContact CE1-CD2 4.29Å; L205-L210 CarbonylContact C-O 3.55Å; L205-L210 HydrophobicContact CD1-CB 3.83Å; L205-L210 HydrophobicContact CD1-CD1 4.14Å; L205-L210 HydrophobicContact CG-CB 3.96Å; L205-L210 PolarHBondContact O-N 3.21Å; L205-L210 VanDerWaalsContact O-N 3.15Å; R206-L210 WeakPolarHBondContact CA-O 3.45Å; R206-L210 PolarHBondContact N-O 2.89Å
211S96.5Very high96.6Very high75 Ų7536.7 Ų36.752%0.52421%0.208SC..  trans-107.9135.4172.9-64.30000109.6N178N178-S211 WeakPolarHBondContact CB-O 3.46Å; N178-S211 PolarHBondContact ND2-O 3.46Å
212P97.6Very high96.5Very high10 Ų1039.2 Ų39.27%0.06523%0.23CC..  trans-72.1132.3175.429.8-32.7000110.3H180 V202 L205 I215 V237H180-P212 HydrophobicContact CB-CB 3.8Å; V202-P212 HydrophobicContact CG1-CG 3.94Å; V202-P212 HydrophobicContact CG2-CG 4.4Å; L205-P212 HydrophobicContact CD2-CB 4.46Å; P212-I215 HydrophobicContact CB-CG1 4.04Å; P212-I215 HydrophobicContact CG-CD1 4.27Å; P212-I215 HydrophobicContact CG-CG1 4.11Å; P212-V237 HydrophobicContact CG-CG1 4.48Å
213D98.3Very high96.4Very high17 Ų1739.8 Ų39.89%0.09123%0.233CC..SBendtrans-85.4-33.2168.1-69.6-69.6000110.9C177 N178 Q241 Y266 R270C177-D213 VanDerWaalsContact CA-OD2 3.28Å; C177-D213 WeakPolarHBondContact CA-OD2 3.44Å; N178-D213 PolarHBondContact N-OD2 2.89Å; N178-D213 WeakPolarHBondContact O-CA 3.35Å; N178-D213 WeakPolarHBondContact O-CB 3.48Å; N178-D213 PolarHBondContact O-N 3.26Å; D213-Q241 PolarHBondContact O-NE2 3.45Å; D213-Y266 HydrophobicContact CB-CE1 4.19Å; D213-Y266 WeakPolarHBondContact CB-OH 3.37Å; D213-Y266 PolarHBondContact O-OH 3.05Å; D213-R270 IonicContact OD1-CZ 3.89Å; D213-R270 IonicContact OD1-NE 3.14Å; D213-R270 PolarHBondContact OD1-NE 2.85Å; D213-R270 IonicContact OD1-NH2 2.76Å; D213-R270 PolarHBondContact OD1-NH2 2.83Å; D213-R270 VanDerWaalsContact OD1-NH2 3.14Å; D213-R270 IonicContact OD2-NE 3.35Å; D213-R270 IonicContact OD2-NH2 3.38Å; D213-R270 PolarHBondContact OD2-NH2 3.45Å
214L98.3Very high96.3Very high1 Ų137.7 Ų37.71%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-131.1143.9170.9-68.6175.7000109.8N178 I179 H180 M216 Q241 I243 V263 Y266 L267N178-L214 PolarHBondContact O-N 3.48Å; I179-L214 HydrophobicContact CD1-CD1 4.37Å; I179-L214 HydrophobicContact CG1-CB 4.26Å; I179-L214 HydrophobicContact CG1-CD1 4.3Å; I179-L214 HydrophobicContact CG2-CB 4.44Å; H180-L214 PolarHBondContact N-O 2.6Å; L214-M216 HydrophobicContact CD1-CE 4.34Å; L214-Q241 HydrophobicContact CD2-CB 4Å; L214-Q241 HydrophobicContact CD2-CG 4.28Å; L214-I243 HydrophobicContact CD2-CG1 4.36Å; L214-V263 HydrophobicContact CD1-CG1 4.18Å; L214-Y266 HydrophobicContact CD1-CD1 3.8Å; L214-Y266 HydrophobicContact CD1-CE1 4.14Å; L214-Y266 HydrophobicContact CD2-CD1 3.55Å; L214-Y266 HydrophobicContact CD2-CD2 4.35Å; L214-Y266 HydrophobicContact CD2-CE1 3.67Å; L214-Y266 HydrophobicContact CD2-CE2 4.46Å; L214-Y266 HydrophobicContact CD2-CG 3.92Å; L214-Y266 HydrophobicContact CG-CD1 3.69Å; L214-Y266 HydrophobicContact CG-CE1 3.6Å; L214-L267 HydrophobicContact CD1-CD2 4.43Å
215I98.3Very high96.3Very high0 Ų039.5 Ų39.50%024%0.242CC..EExtended strand (participates in β ladder)trans-114.8110.9171.7-55.8176.8000107.6H180 T198 V202 P212 I231 C235 V237 Q241 I243H180-I215 WeakPolarHBondContact O-CA 3.24Å; T198-I215 HydrophobicContact CG2-CG2 3.97Å; V202-I215 HydrophobicContact CG2-CD1 4.05Å; P212-I215 HydrophobicContact CB-CG1 4.04Å; P212-I215 HydrophobicContact CG-CD1 4.27Å; P212-I215 HydrophobicContact CG-CG1 4.11Å; I215-I231 HydrophobicContact CD1-CG2 4.2Å; I215-I231 HydrophobicContact CG2-CG2 4.41Å; I215-C235 HydrophobicContact CD1-CB 3.36Å; I215-V237 HydrophobicContact CD1-CG1 4.14Å; I215-V237 HydrophobicContact CD1-CG2 3.67Å; I215-V237 HydrophobicContact CG1-CG2 4.3Å; I215-Q241 PolarHBondContact N-O 2.97Å; I215-I243 PolarHBondContact O-N 3.38Å
216M97.8Very high96.2Very high0 Ų042.7 Ų42.70%027%0.265CS..EExtended strand (participates in β ladder)trans-95.3109.4176.5-65.9-163.9179.500109.5I20 V24 I179 H180 V181 S182 L214 R218 I243 V245 L258 V263I20-M216 HydrophobicContact CB-SD 4.26Å; I20-M216 HydrophobicContact CD1-CB 4.04Å; I20-M216 HydrophobicContact CD1-SD 4.16Å; I20-M216 HydrophobicContact CG1-SD 4.1Å; I20-M216 HydrophobicContact CG2-CE 4.29Å; I20-M216 HydrophobicContact CG2-SD 3.22Å; I20-M216 WeakPolarHBondContact CG2-SD 3.43Å; V24-M216 HydrophobicContact CG2-CE 3.96Å; I179-M216 HydrophobicContact CD1-CE 4.03Å; I179-M216 HydrophobicContact CG2-CB 4.46Å; I179-M216 HydrophobicContact CG2-CE 3.85Å; I179-M216 HydrophobicContact CG2-CG 3.72Å; I179-M216 HydrophobicContact CG2-SD 3.77Å; H180-M216 PolarHBondContact O-N 3.16Å; V181-M216 WeakPolarHBondContact CA-O 3.47Å; V181-M216 HydrophobicContact CG2-CB 4.41Å; S182-M216 PolarHBondContact N-O 3.49Å; L214-M216 HydrophobicContact CD1-CE 4.34Å; M216-R218 PolarHBondContact O-N 3.48Å; M216-I243 HydrophobicContact CG-CB 4.17Å; M216-V245 HydrophobicContact CB-CG2 4.2Å; M216-L258 HydrophobicContact CE-CD1 4.31Å; M216-L258 HydrophobicContact CE-CD2 4.12Å; M216-L258 HydrophobicContact SD-CD2 4.13Å; M216-V263 HydrophobicContact CE-CG1 4.41Å; M216-V263 HydrophobicContact CE-CG2 4.48Å
217C97.3Very high96.2Very high0 Ų039.9 Ų39.90%026%0.255CS..EExtended strand (participates in β ladder)trans-92102.5-175.6-680000110.4S182 I184 C219 L223 I243 V245S182-C217 CarbonylContact O-C 3.53Å; S182-C217 WeakPolarHBondContact O-CA 3.33Å; I184-C217 HydrophobicContact CG1-CB 3.7Å; C217-C219 PolarHBondContact O-N 3.5Å; C217-C219 PolarHBondContact O-SG 3.3Å; C217-L223 HydrophobicContact CB-CD1 3.63Å; C217-I243 PolarHBondContact N-O 3Å; C217-V245 PolarHBondContact O-N 2.93Å
218R96.4Very high96.2Very high59 Ų5938.9 Ų38.922%0.22323%0.231CC..EExtended strand (participates in β ladder)trans-70.9125.5169.8-174.370.4-166.9147-12.4109.4I15 S182 L183 I184 M216 V245 H246 D247I15-R218 HydrophobicContact CD1-CB 4Å; I15-R218 HydrophobicContact CG1-CB 3.64Å; I15-R218 HydrophobicContact CG1-CG 3.9Å; S182-R218 PolarHBondContact O-N 2.88Å; L183-R218 HydrophobicContact CD1-CB 4.4Å; L183-R218 HydrophobicContact CD1-CG 4.32Å; I184-R218 PolarHBondContact N-O 2.88Å; M216-R218 PolarHBondContact O-N 3.48Å; R218-V245 WeakPolarHBondContact CA-O 3.46Å; R218-V245 PolarHBondContact NH1-O 3.13Å; R218-H246 PolarHBondContact NH1-O 3.11Å; R218-D247 IonicContact CZ-OD1 3.73Å; R218-D247 IonicContact NE-OD1 3.8Å; R218-D247 IonicContact NH1-OD1 3.37Å; R218-D247 IonicContact NH2-OD1 2.65Å; R218-D247 PolarHBondContact NH2-OD1 3.38Å
219C94.3Very high96.3Very high5 Ų542.4 Ų42.43%0.03425%0.246CC..  trans-147.6163.6-176.439.80000110.7I184 C217 T221 L223 V245 H246 D247I184-C219 HydrophobicContact CB-CB 4.24Å; C217-C219 PolarHBondContact O-N 3.5Å; C217-C219 PolarHBondContact O-SG 3.3Å; C219-T221 WeakPolarHBondContact CB-O 3.1Å; C219-T221 PolarHBondContact SG-O 3.23Å; C219-L223 HydrophobicContact CB-CD2 4.2Å; C219-V245 PolarHBondContact N-O 2.84Å; C219-V245 VanDerWaalsContact N-O 3.16Å; C219-H246 CarbonylContact O-C 3.53Å; C219-H246 WeakPolarHBondContact O-CA 3.46Å; C219-D247 PolarHBondContact O-N 3.32Å
220T92.6Very high96.3Very high73 Ų7344.2 Ų44.245%0.44825%0.245SC..SBendtrans-79.3-46.8173.647.80000110.9Q186 D247Q186-T220 PolarHBondContact OE1-OG1 3.24Å; T220-D247 WeakPolarHBondContact CA-OD2 3.43Å; T220-D247 PolarHBondContact O-N 2.83Å
221T93.9Very high96.4Very high62 Ų6244.2 Ų44.238%0.3825%0.245SC..SBendtrans-110.7161.7179.759.50000111.7Q186 Q193 C219Q186-T221 PolarHBondContact OE1-OG1 3.16Å; Q193-T221 PolarHBondContact NE2-OG1 3.38Å; Q193-T221 VanDerWaalsContact NE2-OG1 3.08Å; C219-T221 WeakPolarHBondContact CB-O 3.1Å; C219-T221 PolarHBondContact SG-O 3.23Å
222A94.8Very high96.4Very high64 Ų6441.4 Ų41.453%0.52923%0.226SC..PPolyproline II helixtrans-58.1139.5175.500000111.3Q193Q193-A222 PolarHBondContact NE2-O 2.88Å
223L94.6Very high96.4Very high13 Ų1346.9 Ų46.97%0.06825%0.252CS..PPolyproline II helixtrans-69.7133.9-179.3-68.2-177.3000111.8I184 C217 C219 V227 K228 I231 V242 C244I184-L223 HydrophobicContact CB-CD2 4.23Å; I184-L223 HydrophobicContact CG1-CD2 4.17Å; I184-L223 HydrophobicContact CG2-CD2 3.93Å; C217-L223 HydrophobicContact CB-CD1 3.63Å; C219-L223 HydrophobicContact CB-CD2 4.2Å; L223-V227 HydrophobicContact CD2-CG1 4.03Å; L223-K228 HydrophobicContact CB-CG 3.95Å; L223-K228 HydrophobicContact CD1-CG 4.09Å; L223-I231 HydrophobicContact CD1-CD1 4.5Å; L223-V242 HydrophobicContact CD1-CG1 4.47Å; L223-C244 HydrophobicContact CB-CB 4.19Å; L223-C244 HydrophobicContact CD1-CB 4.03Å; L223-C244 HydrophobicContact CG-CB 3.97Å; L223-C244 PolarHBondContact N-SG 3.48Å
224E95.8Very high96.4Very high109 Ų10950.6 Ų50.651%0.50927%0.267SS..PPolyproline II helixtrans-66.4148.8168.1-63.7177.6-16200111Q193 S226 V227 K228Q193-E224 VanDerWaalsContact OE1-N 3.15Å; E224-S226 VanDerWaalsContact C-N 3.27Å; E224-S226 PolarHBondContact O-N 3.48Å; E224-S226 PolarHBondContact OE2-OG 2.68Å; E224-V227 HydrophobicContact CB-CB 4.34Å; E224-V227 HydrophobicContact CB-CG2 3.99Å; E224-V227 WeakPolarHBondContact O-CB 3.28Å; E224-V227 PolarHBondContact O-N 3.27Å; E224-K228 PolarHBondContact O-N 3.03Å
225N95.7Very high96.3Very high119 Ų11950.6 Ų50.664%0.63627%0.268SS*.Hα-helixtrans-60.3-38.6178.4-71.9-19.4000112V227 K228 E229N225-V227 PolarHBondContact O-N 3.39Å; N225-K228 PolarHBondContact O-N 2.84Å; N225-E229 WeakPolarHBondContact O-CG 3.07Å; N225-E229 PolarHBondContact O-N 3.15Å
226S96.4Very high96.2Very high67 Ų6757.7 Ų57.747%0.46930%0.3SS..Hα-helixtrans-57.6-38174.861.60000112.4E224 K230E224-S226 VanDerWaalsContact C-N 3.27Å; E224-S226 PolarHBondContact O-N 3.48Å; E224-S226 PolarHBondContact OE2-OG 2.68Å; S226-K230 VanDerWaalsContact O-CB 3.26Å; S226-K230 WeakPolarHBondContact O-CB 3.31Å; S226-K230 PolarHBondContact O-N 3.37Å
227V96.9Very high96.2Very high12 Ų1258.3 Ų58.37%0.07330%0.304CS..Hα-helixtrans-72.3-42178.7175.60000110.2Q193 T195 L223 E224 N225 K230 I231Q193-V227 HydrophobicContact CB-CG1 4.27Å; Q193-V227 HydrophobicContact CB-CG2 4.01Å; T195-V227 HydrophobicContact CG2-CG1 3.56Å; L223-V227 HydrophobicContact CD2-CG1 4.03Å; E224-V227 HydrophobicContact CB-CB 4.34Å; E224-V227 HydrophobicContact CB-CG2 3.99Å; E224-V227 WeakPolarHBondContact O-CB 3.28Å; E224-V227 PolarHBondContact O-N 3.27Å; N225-V227 PolarHBondContact O-N 3.39Å; V227-K230 WeakPolarHBondContact O-CB 3.33Å; V227-K230 PolarHBondContact O-N 2.83Å; V227-I231 HydrophobicContact CG1-CD1 4.09Å; V227-I231 VanDerWaalsContact O-CG1 3.29Å; V227-I231 WeakPolarHBondContact O-CG1 3.38Å; V227-I231 PolarHBondContact O-N 2.97Å
228K96.9Very high96.2Very high48 Ų4864.3 Ų64.321%0.20933%0.332CS..Hα-helixtrans-61.3-48.3174.2-69.4-172.5178.7-171.80112.1L223 E224 N225 K230 I231 S232 V242L223-K228 HydrophobicContact CB-CG 3.95Å; L223-K228 HydrophobicContact CD1-CG 4.09Å; E224-K228 PolarHBondContact O-N 3.03Å; N225-K228 PolarHBondContact O-N 2.84Å; K228-K230 VanDerWaalsContact C-N 3.3Å; K228-K230 PolarHBondContact O-N 3.38Å; K228-I231 PolarHBondContact O-N 2.81Å; K228-S232 WeakPolarHBondContact O-CB 3.12Å; K228-S232 PolarHBondContact O-N 3.48Å; K228-V242 HydrophobicContact CB-CG1 4.43Å; K228-V242 HydrophobicContact CG-CG1 4.28Å
229E97.4Very high96.2Very high124 Ų12464.4 Ų64.458%0.57934%0.341SS*.Hα-helixtrans-59.3-41.8176.7-73.4172.6-173.400111.6N225 S232 M233N225-E229 WeakPolarHBondContact O-CG 3.07Å; N225-E229 PolarHBondContact O-N 3.15Å; E229-S232 WeakPolarHBondContact O-CB 3.43Å; E229-S232 PolarHBondContact O-N 3.12Å; E229-M233 WeakPolarHBondContact O-CB 3.41Å; E229-M233 PolarHBondContact O-N 3.27Å
230K97Very high96.2Very high71 Ų7170.6 Ų70.631%0.30937%0.369SS..Hα-helixtrans-61.4-47.1175.2-173.5173.3-171.3160.60111.8T195 S226 V227 K228 M233 F234T195-K230 HydrophobicContact CG2-CD 4.17Å; T195-K230 HydrophobicContact CG2-CG 4.47Å; S226-K230 VanDerWaalsContact O-CB 3.26Å; S226-K230 WeakPolarHBondContact O-CB 3.31Å; S226-K230 PolarHBondContact O-N 3.37Å; V227-K230 WeakPolarHBondContact O-CB 3.33Å; V227-K230 PolarHBondContact O-N 2.83Å; K228-K230 VanDerWaalsContact C-N 3.3Å; K228-K230 PolarHBondContact O-N 3.38Å; K230-M233 PolarHBondContact O-N 3.49Å; K230-F234 HydrophobicContact CD-CE2 4.47Å; K230-F234 HydrophobicContact CG-CD2 3.61Å; K230-F234 HydrophobicContact CG-CE2 3.7Å; K230-F234 WeakPolarHBondContact O-CD2 3.17Å; K230-F234 PolarHBondContact O-N 3.18Å
231I97.6Very high96.5Very high0 Ų068.2 Ų68.20%035%0.353CS..Hα-helixtrans-61.8-47177.8-67.4165.6000110I184 T195 T198 I215 L223 V227 K228 M233 F234 C235 V242I184-I231 HydrophobicContact CD1-CD1 3.64Å; I184-I231 HydrophobicContact CG1-CD1 4.32Å; T195-I231 HydrophobicContact CG2-CD1 4.02Å; T195-I231 HydrophobicContact CG2-CG1 3.66Å; T198-I231 HydrophobicContact CG2-CG2 4.33Å; I215-I231 HydrophobicContact CD1-CG2 4.2Å; I215-I231 HydrophobicContact CG2-CG2 4.41Å; L223-I231 HydrophobicContact CD1-CD1 4.5Å; V227-I231 HydrophobicContact CG1-CD1 4.09Å; V227-I231 VanDerWaalsContact O-CG1 3.29Å; V227-I231 WeakPolarHBondContact O-CG1 3.38Å; V227-I231 PolarHBondContact O-N 2.97Å; K228-I231 PolarHBondContact O-N 2.81Å; I231-M233 PolarHBondContact O-N 3.33Å; I231-F234 PolarHBondContact O-N 2.93Å; I231-C235 WeakPolarHBondContact O-CB 3.45Å; I231-C235 PolarHBondContact O-N 3.06Å; I231-C235 PolarHBondContact O-SG 3.18Å; I231-V242 HydrophobicContact CB-CG1 4.13Å; I231-V242 HydrophobicContact CB-CG2 4.28Å; I231-V242 HydrophobicContact CD1-CG1 4.16Å; I231-V242 HydrophobicContact CG2-CG1 3.91Å; I231-V242 HydrophobicContact CG2-CG2 3.86Å
232S97.6Very high96.7Very high16 Ų1665.4 Ų65.411%0.11234%0.336CS..Hα-helixtrans-51.6-55.1175.5162.70000111.5K228 E229 F234 C235 H236 V237 P239K228-S232 WeakPolarHBondContact O-CB 3.12Å; K228-S232 PolarHBondContact O-N 3.48Å; E229-S232 WeakPolarHBondContact O-CB 3.43Å; E229-S232 PolarHBondContact O-N 3.12Å; S232-F234 PolarHBondContact O-N 3.39Å; S232-C235 PolarHBondContact O-N 2.98Å; S232-H236 PolarHBondContact O-N 3.26Å; S232-V237 CarbonylContact C-O 3.45Å; S232-V237 VanDerWaalsContact CA-O 3.27Å; S232-V237 WeakPolarHBondContact CA-O 3.33Å; S232-V237 VanDerWaalsContact CB-O 3.24Å; S232-V237 WeakPolarHBondContact CB-O 3.41Å; S232-V237 PolarHBondContact O-N 3.34Å; S232-V237 PolarHBondContact OG-O 3.12Å; S232-P239 WeakPolarHBondContact OG-CD 3.34Å
233M97.2Very high96.8Very high124 Ų12462.5 Ų62.561%0.61131%0.311SS*.Hα-helixtrans-61.1-46.3-179-174.9-179.767.800112.8E229 K230 I231 H236E229-M233 WeakPolarHBondContact O-CB 3.41Å; E229-M233 PolarHBondContact O-N 3.27Å; K230-M233 PolarHBondContact O-N 3.49Å; I231-M233 PolarHBondContact O-N 3.33Å; M233-H236 PolarHBondContact O-CD2 2.92Å; M233-H236 VanDerWaalsContact O-CD2 3.28Å
234F96.9Very high96.9Very high95 Ų9562.2 Ų62.242%0.41731%0.31SS..Hα-helixtrans-79.1-26-176.1-77.3-70.6000113.8Q199 K230 I231 S232Q199-F234 HydrophobicContact CG-CB 3.76Å; Q199-F234 HydrophobicContact CG-CG 4.31Å; K230-F234 HydrophobicContact CD-CE2 4.47Å; K230-F234 HydrophobicContact CG-CD2 3.61Å; K230-F234 HydrophobicContact CG-CE2 3.7Å; K230-F234 WeakPolarHBondContact O-CD2 3.17Å; K230-F234 PolarHBondContact O-N 3.18Å; I231-F234 PolarHBondContact O-N 2.93Å; S232-F234 PolarHBondContact O-N 3.39Å
235C97.3Very high97Very high2 Ų257.2 Ų57.21%0.01429%0.287CS..Hα-helixtrans-95.5-6.8-178.6-57.60000112.9V202 R206 I215 I231 S232 V237V202-C235 HydrophobicContact CB-CB 4.4Å; V202-C235 HydrophobicContact CG1-CB 3.96Å; V202-C235 HydrophobicContact CG2-CB 4.32Å; R206-C235 PolarHBondContact NH1-O 3.15Å; R206-C235 VanDerWaalsContact NH1-O 3.1Å; I215-C235 HydrophobicContact CD1-CB 3.36Å; I231-C235 WeakPolarHBondContact O-CB 3.45Å; I231-C235 PolarHBondContact O-N 3.06Å; I231-C235 PolarHBondContact O-SG 3.18Å; S232-C235 PolarHBondContact O-N 2.98Å; C235-V237 HydrophobicContact CB-CG2 4.45Å
236H96.1Very high96.9Very high148 Ų14854 Ų5469%0.68527%0.268SS*.THydrogen-bonded Turntrans59.848.3-177.7-50.9157.9000112.9R206 S232 M233R206-H236 VanDerWaalsContact NH1-CG 3.31Å; R206-H236 PolarHBondContact NH1-ND1 3.33Å; S232-H236 PolarHBondContact O-N 3.26Å; M233-H236 PolarHBondContact O-CD2 2.92Å; M233-H236 VanDerWaalsContact O-CD2 3.28Å
237V97.1Very high96.8Very high14 Ų1454.7 Ų54.79%0.08527%0.266CS..  trans-128.7156.9171.6-59.60000109.2P212 I215 S232 C235 Q241 V242P212-V237 HydrophobicContact CG-CG1 4.48Å; I215-V237 HydrophobicContact CD1-CG1 4.14Å; I215-V237 HydrophobicContact CD1-CG2 3.67Å; I215-V237 HydrophobicContact CG1-CG2 4.3Å; S232-V237 CarbonylContact C-O 3.45Å; S232-V237 VanDerWaalsContact CA-O 3.27Å; S232-V237 WeakPolarHBondContact CA-O 3.33Å; S232-V237 VanDerWaalsContact CB-O 3.24Å; S232-V237 WeakPolarHBondContact CB-O 3.41Å; S232-V237 PolarHBondContact O-N 3.34Å; S232-V237 PolarHBondContact OG-O 3.12Å; C235-V237 HydrophobicContact CB-CG2 4.45Å; V237-Q241 HydrophobicContact CB-CB 4.07Å; V237-Q241 HydrophobicContact CG2-CB 4.3Å; V237-V242 HydrophobicContact CG2-CG2 3.88Å
238E97Very high96.5Very high125 Ų12556 Ų5658%0.58428%0.275SS*.  trans-66.6152.2173.6-63-174.3168.800111.6Q240 Q241E238-Q240 PolarHBondContact O-N 3.29Å; E238-Q241 HydrophobicContact CB-CG 4.25Å; E238-Q241 WeakPolarHBondContact O-CB 3.19Å; E238-Q241 PolarHBondContact O-N 3.32Å
239P96.4Very high96Very high62 Ų6257.8 Ų57.840%0.40329%0.293SS..G310 helixtrans-55.5-34.2179.1-27.636000114.1S232 Q241 V242S232-P239 WeakPolarHBondContact OG-CD 3.34Å; P239-Q241 PolarHBondContact O-N 2.88Å; P239-V242 PolarHBondContact O-N 2.73Å
240Q95.5Very high95.6Very high134 Ų13453 Ų5363%0.62627%0.273SS*.G310 helixtrans-67.6-20.9178-63.181.2-3.200112.8E238 V242 I243E238-Q240 PolarHBondContact O-N 3.29Å; Q240-V242 VanDerWaalsContact C-N 3.3Å; Q240-I243 WeakPolarHBondContact O-CD1 3.31Å
241Q97.8Very high95.2Very high24 Ų2451.8 Ų51.811%0.11227%0.269CS..G310 helixtrans-84-6.2177.6-61.2173.8-76.600112.5D213 L214 I215 V237 E238 P239 Y266D213-Q241 PolarHBondContact O-NE2 3.45Å; L214-Q241 HydrophobicContact CD2-CB 4Å; L214-Q241 HydrophobicContact CD2-CG 4.28Å; I215-Q241 PolarHBondContact N-O 2.97Å; V237-Q241 HydrophobicContact CB-CB 4.07Å; V237-Q241 HydrophobicContact CG2-CB 4.3Å; E238-Q241 HydrophobicContact CB-CG 4.25Å; E238-Q241 WeakPolarHBondContact O-CB 3.19Å; E238-Q241 PolarHBondContact O-N 3.32Å; P239-Q241 PolarHBondContact O-N 2.88Å; Q241-Y266 HydrophobicContact CG-CD2 4.21Å; Q241-Y266 HydrophobicContact CG-CE2 3.64Å; Q241-Y266 PolarHBondContact NE2-OH 3Å
242V98.2Very high94.8Very high3 Ų352 Ų522%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-95.198.5176.3-1750000109.6L223 K228 I231 V237 P239 Q240L223-V242 HydrophobicContact CD1-CG1 4.47Å; K228-V242 HydrophobicContact CB-CG1 4.43Å; K228-V242 HydrophobicContact CG-CG1 4.28Å; I231-V242 HydrophobicContact CB-CG1 4.13Å; I231-V242 HydrophobicContact CB-CG2 4.28Å; I231-V242 HydrophobicContact CD1-CG1 4.16Å; I231-V242 HydrophobicContact CG2-CG1 3.91Å; I231-V242 HydrophobicContact CG2-CG2 3.86Å; V237-V242 HydrophobicContact CG2-CG2 3.88Å; P239-V242 PolarHBondContact O-N 2.73Å; Q240-V242 VanDerWaalsContact C-N 3.3Å
243I98.1Very high94.6Very high3 Ų355.7 Ų55.72%0.01528%0.282CS..EExtended strand (participates in β ladder)trans-95.4127.5-174.1-49.9-58.6000109.9L214 I215 M216 C217 Q240 V245 L258 Q261 V263L214-I243 HydrophobicContact CD2-CG1 4.36Å; I215-I243 PolarHBondContact O-N 3.38Å; M216-I243 HydrophobicContact CG-CB 4.17Å; C217-I243 PolarHBondContact N-O 3Å; Q240-I243 WeakPolarHBondContact O-CD1 3.31Å; I243-V245 HydrophobicContact CG2-CG2 4.37Å; I243-L258 HydrophobicContact CG2-CD2 3.73Å; I243-Q261 HydrophobicContact CD1-CB 4.34Å; I243-Q261 HydrophobicContact CG2-CB 4.28Å; I243-V263 HydrophobicContact CD1-CG2 3.95Å; I243-V263 HydrophobicContact CG1-CG2 4.07Å; I243-V263 HydrophobicContact CG2-CG2 4.24Å
244C97.2Very high94.5Very high6 Ų650.1 Ų50.14%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-87.6118.8177.61740000110.4L223 Q261L223-C244 HydrophobicContact CB-CB 4.19Å; L223-C244 HydrophobicContact CD1-CB 4.03Å; L223-C244 HydrophobicContact CG-CB 3.97Å; L223-C244 PolarHBondContact N-SG 3.48Å; C244-Q261 PolarHBondContact O-NE2 3.2Å
245V96.4Very high94.3Very high4 Ų445.6 Ų45.62%0.02423%0.234CC..EExtended strand (participates in β ladder)trans-116.479.2175.6-169.90000108.3I20 M216 C217 R218 C219 I243 V254 L258I20-V245 HydrophobicContact CD1-CG2 4.47Å; M216-V245 HydrophobicContact CB-CG2 4.2Å; C217-V245 PolarHBondContact O-N 2.93Å; R218-V245 WeakPolarHBondContact CA-O 3.46Å; R218-V245 PolarHBondContact NH1-O 3.13Å; C219-V245 PolarHBondContact N-O 2.84Å; C219-V245 VanDerWaalsContact N-O 3.16Å; I243-V245 HydrophobicContact CG2-CG2 4.37Å; V245-V254 HydrophobicContact CG1-CG1 4.3Å; V245-L258 HydrophobicContact CG2-CD2 4.04Å
246H94.8Very high94.2Very high52 Ų5246.8 Ų46.824%0.24124%0.241CC..  trans-79.7166.9-177.961-79.8000112.3R218 C219 V248R218-H246 PolarHBondContact NH1-O 3.11Å; C219-H246 CarbonylContact O-C 3.53Å; C219-H246 WeakPolarHBondContact O-CA 3.46Å; H246-V248 PolarHBondContact O-N 3.33Å
247D93.5Very high94.1Very high82 Ų8241 Ų4144%0.43922%0.215SC..  trans-60.8127.8174.5-71.7-22.7000109.8R218 C219 T220R218-D247 IonicContact CZ-OD1 3.73Å; R218-D247 IonicContact NE-OD1 3.8Å; R218-D247 IonicContact NH1-OD1 3.37Å; R218-D247 IonicContact NH2-OD1 2.65Å; R218-D247 PolarHBondContact NH2-OD1 3.38Å; C219-D247 PolarHBondContact O-N 3.32Å; T220-D247 WeakPolarHBondContact CA-OD2 3.43Å; T220-D247 PolarHBondContact O-N 2.83Å
248V90.9Very high94Very high40 Ų4040.4 Ų40.424%0.24221%0.211CC..  trans-120.1157.4-179.7-71.30000109.3H246 S250 R253 V254 L257H246-V248 PolarHBondContact O-N 3.33Å; V248-S250 WeakPolarHBondContact CG2-O 3.5Å; V248-S250 PolarHBondContact O-N 2.98Å; V248-R253 HydrophobicContact CB-CB 4Å; V248-R253 HydrophobicContact CG1-CB 4.22Å; V248-R253 HydrophobicContact CG2-CB 4.16Å; V248-V254 HydrophobicContact CG2-CG2 3.89Å; V248-L257 HydrophobicContact CG1-CD2 4.29Å
249S86.5Confident93.8Very high84 Ų8435.8 Ų35.859%0.58719%0.19SC*.SBendtrans-61.5-28.9-178.854.50000113.7R253 D294S249-R253 WeakPolarHBondContact OG-CD 3.08Å; S249-R253 PolarHBondContact OG-NE 3.27Å; S249-D294 WeakPolarHBondContact CB-OD1 3.39Å; S249-D294 PolarHBondContact OG-OD1 2.92Å
250S87.8Confident93.7Very high23 Ų2339.6 Ų39.616%0.16121%0.207CC..SBendtrans-147.8146.5179.4177.30000110.9V248 Y252 R253V248-S250 WeakPolarHBondContact CG2-O 3.5Å; V248-S250 PolarHBondContact O-N 2.98Å; S250-Y252 PolarHBondContact O-N 2.94Å; S250-Y252 VanDerWaalsContact O-N 3.1Å; S250-Y252 WeakPolarHBondContact OG-CD2 3.46Å; S250-Y252 PolarHBondContact OG-N 2.7Å; S250-R253 WeakPolarHBondContact O-CB 3.27Å; S250-R253 PolarHBondContact O-N 3.2Å
251I89.8Confident93.7Very high47 Ų4735.7 Ų35.724%0.24119%0.188CC..G310 helixtrans-57.5-25174.862.6176000112.2I19 F78 R253 V254I19-I251 HydrophobicContact CD1-CB 4.43Å; I19-I251 HydrophobicContact CD1-CD1 4.33Å; I19-I251 HydrophobicContact CD1-CG2 4.41Å; F78-I251 HydrophobicContact CE2-CD1 4.02Å; F78-I251 HydrophobicContact CZ-CB 4.35Å; F78-I251 HydrophobicContact CZ-CD1 3.91Å; F78-I251 HydrophobicContact CZ-CG1 4.06Å; I251-R253 PolarHBondContact O-N 3.27Å; I251-V254 WeakPolarHBondContact O-CB 3.44Å; I251-V254 WeakPolarHBondContact O-CG2 3.39Å; I251-V254 PolarHBondContact O-N 3.39Å; I251-V254 VanDerWaalsContact O-N 3.16Å
252Y89.6Confident93.5Very high3 Ų336.4 Ų36.41%0.01220%0.202CC..G310 helixtrans-72.7-11.2179.3-50.1-56.1000113.7F78 S250 W286 M289 H324 L327 P534F78-Y252 HydrophobicContact CE2-CE1 4.35Å; F78-Y252 HydrophobicContact CZ-CD1 4.22Å; F78-Y252 HydrophobicContact CZ-CE1 4.38Å; S250-Y252 PolarHBondContact O-N 2.94Å; S250-Y252 VanDerWaalsContact O-N 3.1Å; S250-Y252 WeakPolarHBondContact OG-CD2 3.46Å; S250-Y252 PolarHBondContact OG-N 2.7Å; Y252-W286 HydrophobicContact CD1-CE3 4.43Å; Y252-W286 HydrophobicContact CD1-CH2 4Å; Y252-W286 AromaticContact CD1-CZ3 3.57Å; Y252-W286 HydrophobicContact CD1-CZ3 3.57Å; Y252-W286 HydrophobicContact CG-CZ3 4.2Å; Y252-M289 HydrophobicContact CD1-CE 4.21Å; Y252-M289 HydrophobicContact CG-CE 4.09Å; Y252-H324 PolarHBondContact OH-CD2 3.49Å; Y252-H324 PolarHBondContact OH-NE2 2.95Å; Y252-L327 HydrophobicContact CD2-CD1 4.27Å; Y252-L327 HydrophobicContact CE2-CD1 3.69Å; Y252-P534 HydrophobicContact CD1-CB 4.44Å; Y252-P534 HydrophobicContact CD1-CG 4.31Å; Y252-P534 HydrophobicContact CE1-CB 3.85Å; Y252-P534 HydrophobicContact CE1-CG 3.52Å
253R92.2Very high93.4Very high95 Ų9536.3 Ų36.336%0.35820%0.202SC..G310 helixtrans-78.3-20.3170.2-77.2-173.6167-116.9-5.4113.2V248 S249 S250 I251 L256 L257 S290 D294V248-R253 HydrophobicContact CB-CB 4Å; V248-R253 HydrophobicContact CG1-CB 4.22Å; V248-R253 HydrophobicContact CG2-CB 4.16Å; S249-R253 WeakPolarHBondContact OG-CD 3.08Å; S249-R253 PolarHBondContact OG-NE 3.27Å; S250-R253 WeakPolarHBondContact O-CB 3.27Å; S250-R253 PolarHBondContact O-N 3.2Å; I251-R253 PolarHBondContact O-N 3.27Å; R253-L256 PolarHBondContact O-N 3.01Å; R253-L257 WeakPolarHBondContact O-CB 3.1Å; R253-L257 PolarHBondContact O-N 3.08Å; R253-S290 WeakPolarHBondContact CG-OG 3.48Å; R253-D294 IonicContact CZ-OD2 3.83Å; R253-D294 IonicContact NE-OD1 2.97Å; R253-D294 IonicContact NE-OD2 3.57Å; R253-D294 PolarHBondContact NE-OD2 3.47Å; R253-D294 IonicContact NH2-OD2 3.78Å; R253-D294 PolarHBondContact NH2-OD2 3.29Å
254V94.8Very high93.1Very high6 Ų636.4 Ų36.44%0.03620%0.202CC..Hα-helixtrans-61.7-45.3-174.2-177.60000112.3I19 S23 V245 V248 I251 L256 L257 L258I19-V254 HydrophobicContact CG2-CB 4.11Å; I19-V254 HydrophobicContact CG2-CG1 4.15Å; I19-V254 HydrophobicContact CG2-CG2 3.97Å; S23-V254 WeakPolarHBondContact OG-CG1 3.41Å; V245-V254 HydrophobicContact CG1-CG1 4.3Å; V248-V254 HydrophobicContact CG2-CG2 3.89Å; I251-V254 WeakPolarHBondContact O-CB 3.44Å; I251-V254 WeakPolarHBondContact O-CG2 3.39Å; I251-V254 PolarHBondContact O-N 3.39Å; I251-V254 VanDerWaalsContact O-N 3.16Å; V254-L256 VanDerWaalsContact C-N 3.29Å; V254-L256 PolarHBondContact O-N 3.46Å; V254-L257 WeakPolarHBondContact O-CB 3.3Å; V254-L257 PolarHBondContact O-N 3.34Å; V254-L258 HydrophobicContact CG1-CD1 4.43Å; V254-L258 HydrophobicContact CG1-CG 4.39Å; V254-L258 WeakPolarHBondContact O-CG 3.31Å; V254-L258 PolarHBondContact O-N 2.48Å
255P94.2Very high92.9Very high0 Ų038.5 Ų38.50%022%0.224CC..Hα-helixtrans-56.6-40.9174.4-24.633.5000113.4S23 T26 I27 F78 L258 E259 W286S23-P255 WeakPolarHBondContact OG-CD 3.37Å; T26-P255 HydrophobicContact CG2-CB 4.44Å; T26-P255 HydrophobicContact CG2-CG 4.48Å; I27-P255 HydrophobicContact CG2-CB 4.08Å; I27-P255 WeakPolarHBondContact CG2-O 3.37Å; F78-P255 HydrophobicContact CD1-CG 4.42Å; F78-P255 HydrophobicContact CE1-CG 4.28Å; P255-L258 PolarHBondContact O-N 2.86Å; P255-E259 PolarHBondContact O-N 2.92Å; P255-W286 HydrophobicContact CG-CE3 4.02Å; P255-W286 HydrophobicContact CG-CZ3 3.89Å
256L93.6Very high92.9Very high27 Ų2740.4 Ų40.414%0.14123%0.232CC..Hα-helixtrans-67.4-41178.7-54.7173.4000111.4R253 V254 L258 E259 D260 L283 K287R253-L256 PolarHBondContact O-N 3.01Å; V254-L256 VanDerWaalsContact C-N 3.29Å; V254-L256 PolarHBondContact O-N 3.46Å; L256-L258 VanDerWaalsContact C-N 3.3Å; L256-L258 PolarHBondContact O-N 3.43Å; L256-E259 WeakPolarHBondContact O-CB 3.38Å; L256-E259 PolarHBondContact O-N 3.29Å; L256-D260 PolarHBondContact O-N 2.95Å; L256-L283 HydrophobicContact CD2-CD1 3.95Å; L256-L283 HydrophobicContact CD2-CG 3.99Å; L256-K287 HydrophobicContact CD1-CB 4.21Å; L256-K287 HydrophobicContact CD1-CG 4.39Å; L256-K287 HydrophobicContact CD2-CB 4.19Å
257L94.9Very high92.9Very high28 Ų2838 Ų3815%0.14722%0.22CC..Hα-helixtrans-62.8-35.7176.317863.3000112.6V248 R253 V254 Q261V248-L257 HydrophobicContact CG1-CD2 4.29Å; R253-L257 WeakPolarHBondContact O-CB 3.1Å; R253-L257 PolarHBondContact O-N 3.08Å; V254-L257 WeakPolarHBondContact O-CB 3.3Å; V254-L257 PolarHBondContact O-N 3.34Å; L257-Q261 WeakPolarHBondContact O-CG 3.44Å; L257-Q261 PolarHBondContact O-N 2.9Å; L257-Q261 PolarHBondContact O-NE2 2.71Å
258L95.6Very high92.9Very high0 Ų035.7 Ų35.70%021%0.211CC..Hα-helixtrans-73.5-38.4175.7-64-175.9000111.5V24 I27 M216 I243 V245 V254 P255 L256 Q261 G262 V263V24-L258 HydrophobicContact CG2-CD1 4.11Å; I27-L258 HydrophobicContact CD1-CB 4.44Å; M216-L258 HydrophobicContact CE-CD1 4.31Å; M216-L258 HydrophobicContact CE-CD2 4.12Å; M216-L258 HydrophobicContact SD-CD2 4.13Å; I243-L258 HydrophobicContact CG2-CD2 3.73Å; V245-L258 HydrophobicContact CG2-CD2 4.04Å; V254-L258 HydrophobicContact CG1-CD1 4.43Å; V254-L258 HydrophobicContact CG1-CG 4.39Å; V254-L258 WeakPolarHBondContact O-CG 3.31Å; V254-L258 PolarHBondContact O-N 2.48Å; P255-L258 PolarHBondContact O-N 2.86Å; L256-L258 VanDerWaalsContact C-N 3.3Å; L256-L258 PolarHBondContact O-N 3.43Å; L258-Q261 PolarHBondContact O-N 3.45Å; L258-G262 PolarHBondContact O-N 3.03Å; L258-V263 HydrophobicContact CB-CB 4.4Å; L258-V263 HydrophobicContact CB-CG2 4.11Å; L258-V263 HydrophobicContact CD2-CG2 4.38Å; L258-V263 WeakPolarHBondContact O-CB 3.4Å; L258-V263 VanDerWaalsContact O-CG2 3.27Å; L258-V263 WeakPolarHBondContact O-CG2 3.46Å; L258-V263 PolarHBondContact O-N 2.98Å
259E92.3Very high93.1Very high29 Ų2937.9 Ų37.914%0.13623%0.228CC..Hα-helixtrans-61.2-49.2174.8-173.464.9-142.600111.4P255 L256 Q261 G262 V264 R280 L283P255-E259 PolarHBondContact O-N 2.92Å; L256-E259 WeakPolarHBondContact O-CB 3.38Å; L256-E259 PolarHBondContact O-N 3.29Å; E259-Q261 PolarHBondContact O-N 3.03Å; E259-Q261 VanDerWaalsContact O-N 3.14Å; E259-G262 PolarHBondContact O-N 3.34Å; E259-V264 WeakPolarHBondContact OE2-CG2 3.14Å; E259-R280 IonicContact OE1-CZ 3.18Å; E259-R280 IonicContact OE1-NH1 2.61Å; E259-R280 PolarHBondContact OE1-NH1 3.01Å; E259-R280 IonicContact OE1-NH2 2.95Å; E259-R280 PolarHBondContact OE1-NH2 3.28Å; E259-R280 IonicContact OE2-CZ 3.99Å; E259-R280 IonicContact OE2-NH1 3.69Å; E259-R280 IonicContact OE2-NH2 3.9Å; E259-L283 HydrophobicContact CG-CD2 3.93Å
260D93.6Very high93.5Very high142 Ų14235.6 Ų35.676%0.75921%0.206SC*.Hα-helixtrans-61.1-25.3-179.1-75.8-1.7000112.7L256 G262L256-D260 PolarHBondContact O-N 2.95Å; D260-G262 VanDerWaalsContact C-N 3.35Å
261Q96Very high93.9Very high52 Ų5234.5 Ų34.524%0.24320%0.199CC..THydrogen-bonded Turntrans-90.67.1176.2-72.1178.894.200113.8I243 C244 L257 L258 E259I243-Q261 HydrophobicContact CD1-CB 4.34Å; I243-Q261 HydrophobicContact CG2-CB 4.28Å; C244-Q261 PolarHBondContact O-NE2 3.2Å; L257-Q261 WeakPolarHBondContact O-CG 3.44Å; L257-Q261 PolarHBondContact O-N 2.9Å; L257-Q261 PolarHBondContact O-NE2 2.71Å; L258-Q261 PolarHBondContact O-N 3.45Å; E259-Q261 PolarHBondContact O-N 3.03Å; E259-Q261 VanDerWaalsContact O-N 3.14Å
262G93.4Very high94.1Very high39 Ų3938.3 Ų38.340%0.40222%0.219SC..THydrogen-bonded Turntrans78.120171.300000115.2L258 E259 D260 V264 G265 Y266L258-G262 PolarHBondContact O-N 3.03Å; E259-G262 PolarHBondContact O-N 3.34Å; D260-G262 VanDerWaalsContact C-N 3.35Å; G262-V264 VanDerWaalsContact C-N 3.28Å; G262-V264 PolarHBondContact O-N 2.78Å; G262-G265 PolarHBondContact O-N 3.48Å; G262-Y266 PolarHBondContact O-N 3.46Å; G262-Y266 VanDerWaalsContact O-N 3.15Å
263V95.4Very high94.1Very high1 Ų138.5 Ų38.51%0.00622%0.221CC..Hα-helixtrans-58.3-39-178.5172.80000112I27 L214 M216 I243 L258 G265 Y266 L267I27-V263 HydrophobicContact CD1-CB 4.25Å; I27-V263 HydrophobicContact CD1-CG1 3.9Å; L214-V263 HydrophobicContact CD1-CG1 4.18Å; M216-V263 HydrophobicContact CE-CG1 4.41Å; M216-V263 HydrophobicContact CE-CG2 4.48Å; I243-V263 HydrophobicContact CD1-CG2 3.95Å; I243-V263 HydrophobicContact CG1-CG2 4.07Å; I243-V263 HydrophobicContact CG2-CG2 4.24Å; L258-V263 HydrophobicContact CB-CB 4.4Å; L258-V263 HydrophobicContact CB-CG2 4.11Å; L258-V263 HydrophobicContact CD2-CG2 4.38Å; L258-V263 WeakPolarHBondContact O-CB 3.4Å; L258-V263 VanDerWaalsContact O-CG2 3.27Å; L258-V263 WeakPolarHBondContact O-CG2 3.46Å; L258-V263 PolarHBondContact O-N 2.98Å; V263-G265 PolarHBondContact O-N 2.82Å; V263-Y266 PolarHBondContact O-N 2.88Å; V263-L267 HydrophobicContact CG1-CD1 3.84Å; V263-L267 HydrophobicContact CG1-CG 4.24Å; V263-L267 WeakPolarHBondContact O-CG 3.4Å; V263-L267 PolarHBondContact O-N 2.94Å
264V93.1Very high93.3Very high5 Ų539.3 Ų39.33%0.0324%0.238CC..Hα-helixtrans-62.3-44.4177.9174.60000111.9I27 E259 G262 Y266 L267 S268 I275I27-V264 HydrophobicContact CB-CG2 3.91Å; I27-V264 HydrophobicContact CD1-CG2 3.75Å; I27-V264 HydrophobicContact CG1-CG2 3.89Å; E259-V264 WeakPolarHBondContact OE2-CG2 3.14Å; G262-V264 VanDerWaalsContact C-N 3.28Å; G262-V264 PolarHBondContact O-N 2.78Å; V264-Y266 VanDerWaalsContact C-N 3.33Å; V264-Y266 PolarHBondContact O-N 2.92Å; V264-L267 PolarHBondContact O-N 2.79Å; V264-S268 WeakPolarHBondContact O-CB 3.41Å; V264-S268 PolarHBondContact O-N 3.02Å; V264-I275 HydrophobicContact CG1-CD1 3.62Å; V264-I275 HydrophobicContact CG1-CG2 4.4Å
265G92.7Very high92.6Very high49 Ų4940.7 Ų40.751%0.50525%0.245SC..Hα-helixtrans-62.1-42178.400000112G262 V263 S269G262-G265 PolarHBondContact O-N 3.48Å; V263-G265 PolarHBondContact O-N 2.82Å; G265-S269 PolarHBondContact O-N 2.94Å; G265-S269 PolarHBondContact O-OG 3.12Å
266Y95.6Very high91.3Very high45 Ų4546.1 Ų46.118%0.17627%0.27CS..Hα-helixtrans-63-47.6174.6179.4-91000112.2D213 L214 Q241 G262 V263 V264 S268 S269 R270D213-Y266 HydrophobicContact CB-CE1 4.19Å; D213-Y266 WeakPolarHBondContact CB-OH 3.37Å; D213-Y266 PolarHBondContact O-OH 3.05Å; L214-Y266 HydrophobicContact CD1-CD1 3.8Å; L214-Y266 HydrophobicContact CD1-CE1 4.14Å; L214-Y266 HydrophobicContact CD2-CD1 3.55Å; L214-Y266 HydrophobicContact CD2-CD2 4.35Å; L214-Y266 HydrophobicContact CD2-CE1 3.67Å; L214-Y266 HydrophobicContact CD2-CE2 4.46Å; L214-Y266 HydrophobicContact CD2-CG 3.92Å; L214-Y266 HydrophobicContact CG-CD1 3.69Å; L214-Y266 HydrophobicContact CG-CE1 3.6Å; Q241-Y266 HydrophobicContact CG-CD2 4.21Å; Q241-Y266 HydrophobicContact CG-CE2 3.64Å; Q241-Y266 PolarHBondContact NE2-OH 3Å; G262-Y266 PolarHBondContact O-N 3.46Å; G262-Y266 VanDerWaalsContact O-N 3.15Å; V263-Y266 PolarHBondContact O-N 2.88Å; V264-Y266 VanDerWaalsContact C-N 3.33Å; V264-Y266 PolarHBondContact O-N 2.92Å; Y266-S268 PolarHBondContact O-N 2.83Å; Y266-S269 PolarHBondContact O-N 3.32Å; Y266-S269 PolarHBondContact O-OG 2.96Å; Y266-R270 HydrophobicContact CD1-CB 4.33Å; Y266-R270 HydrophobicContact CE1-CB 3.91Å; Y266-R270 HydrophobicContact CE1-CG 4.02Å; Y266-R270 WeakPolarHBondContact O-CB 3.38Å; Y266-R270 PolarHBondContact O-N 3.28Å
267L95.6Very high89.6Confident0 Ų052 Ų520%031%0.308CS..Hα-helixtrans-65.1-39.6-179.3-70.4174.6000111.9I5 V24 L28 L214 V263 V264 S269 R270 L271 M273I5-L267 HydrophobicContact CD1-CD1 4.12Å; I5-L267 HydrophobicContact CD1-CD2 4.19Å; V24-L267 HydrophobicContact CG1-CD1 3.87Å; L28-L267 HydrophobicContact CD1-CD1 4.29Å; L28-L267 HydrophobicContact CD2-CD1 4.28Å; L214-L267 HydrophobicContact CD1-CD2 4.43Å; V263-L267 HydrophobicContact CG1-CD1 3.84Å; V263-L267 HydrophobicContact CG1-CG 4.24Å; V263-L267 WeakPolarHBondContact O-CG 3.4Å; V263-L267 PolarHBondContact O-N 2.94Å; V264-L267 PolarHBondContact O-N 2.79Å; L267-S269 PolarHBondContact O-N 3Å; L267-R270 PolarHBondContact O-N 2.74Å; L267-L271 HydrophobicContact CD2-CD1 4.36Å; L267-L271 WeakPolarHBondContact O-CB 3.49Å; L267-L271 PolarHBondContact O-N 3.25Å; L267-M273 HydrophobicContact CB-CE 3.9Å
268S93.8Very high87.8Confident34 Ų3457.1 Ų57.124%0.23833%0.329CS..Hα-helixtrans-58-47.5176.4178.40000111.8V264 Y266 N272 M273V264-S268 WeakPolarHBondContact O-CB 3.41Å; V264-S268 PolarHBondContact O-N 3.02Å; Y266-S268 PolarHBondContact O-N 2.83Å; S268-N272 CarbonylContact O-C 3.59Å; S268-N272 VanDerWaalsContact O-CA 3.28Å; S268-N272 WeakPolarHBondContact O-CA 3.49Å; S268-N272 PolarHBondContact O-N 3.36Å; S268-M273 PolarHBondContact O-N 3.15Å; S268-M273 PolarHBondContact OG-O 3.48Å
269S93.9Very high86Confident87 Ų8761.9 Ų61.961%0.60836%0.362SS*.Hα-helixtrans-70.8-45.517964.90000112G265 Y266 L267 L271 N272G265-S269 PolarHBondContact O-N 2.94Å; G265-S269 PolarHBondContact O-OG 3.12Å; Y266-S269 PolarHBondContact O-N 3.32Å; Y266-S269 PolarHBondContact O-OG 2.96Å; L267-S269 PolarHBondContact O-N 3Å; S269-L271 PolarHBondContact O-N 2.87Å; S269-N272 PolarHBondContact O-N 2.87Å
270R95.9Very high85.2Confident36 Ų3664.1 Ų64.114%0.13637%0.369CS..Hα-helixtrans-65.4-36.1-176.3-179.858.6-173.374.514.7113.4R173 F176 D213 Y266 L267R173-R270 PolarHBondContact O-NH1 2.82Å; R173-R270 PolarHBondContact O-NH2 3.29Å; F176-R270 PolarHBondContact O-NH2 3.3Å; D213-R270 IonicContact OD1-CZ 3.89Å; D213-R270 IonicContact OD1-NE 3.14Å; D213-R270 PolarHBondContact OD1-NE 2.85Å; D213-R270 IonicContact OD1-NH2 2.76Å; D213-R270 PolarHBondContact OD1-NH2 2.83Å; D213-R270 VanDerWaalsContact OD1-NH2 3.14Å; D213-R270 IonicContact OD2-NE 3.35Å; D213-R270 IonicContact OD2-NH2 3.38Å; D213-R270 PolarHBondContact OD2-NH2 3.45Å; Y266-R270 HydrophobicContact CD1-CB 4.33Å; Y266-R270 HydrophobicContact CE1-CB 3.91Å; Y266-R270 HydrophobicContact CE1-CG 4.02Å; Y266-R270 WeakPolarHBondContact O-CB 3.38Å; Y266-R270 PolarHBondContact O-N 3.28Å; L267-R270 PolarHBondContact O-N 2.74Å
271L96.2Very high84.4Confident0 Ų061.5 Ų61.50%036%0.359CS..THydrogen-bonded Turntrans-104.14.1-178.2-67.2170.6000113.1K3 I5 E174 C177 L267 S269 M273K3-L271 HydrophobicContact CB-CD1 4.32Å; K3-L271 HydrophobicContact CD-CB 4.31Å; K3-L271 WeakPolarHBondContact CE-O 3.42Å; K3-L271 PolarHBondContact NZ-O 2.9Å; I5-L271 HydrophobicContact CD1-CD1 4.11Å; I5-L271 HydrophobicContact CG1-CD1 3.87Å; E174-L271 CarbonylContact O-C 3.59Å; E174-L271 WeakPolarHBondContact O-CA 3.36Å; E174-L271 VanDerWaalsContact O-O 3.07Å; C177-L271 HydrophobicContact CB-CD1 3.99Å; C177-L271 HydrophobicContact CB-CD2 3.82Å; C177-L271 HydrophobicContact CB-CG 4.04Å; L267-L271 HydrophobicContact CD2-CD1 4.36Å; L267-L271 WeakPolarHBondContact O-CB 3.49Å; L267-L271 PolarHBondContact O-N 3.25Å; S269-L271 PolarHBondContact O-N 2.87Å; L271-M273 VanDerWaalsContact C-N 3.3Å; L271-M273 HydrophobicContact CB-CE 4.07Å; L271-M273 HydrophobicContact CB-CG 3.76Å; L271-M273 HydrophobicContact CB-SD 4.1Å; L271-M273 HydrophobicContact CD1-CE 3.84Å; L271-M273 HydrophobicContact CD1-SD 4.13Å; L271-M273 PolarHBondContact O-N 2.95Å
272N93.4Very high83.7Confident126 Ų12661 Ų6167%0.67436%0.356SS*.THydrogen-bonded Turntrans48.951.1-176.7-164.521.6000111.9S268 S269S268-N272 CarbonylContact O-C 3.59Å; S268-N272 VanDerWaalsContact O-CA 3.28Å; S268-N272 WeakPolarHBondContact O-CA 3.49Å; S268-N272 PolarHBondContact O-N 3.36Å; S269-N272 PolarHBondContact O-N 2.87Å
273M89.6Confident83.3Confident8 Ų860.1 Ų60.14%0.03934%0.343CS..  trans-97.1125.4-179.1-64.1-173.2-63.600110.1K3 L28 L33 V143 L267 S268 L271 I275K3-M273 HydrophobicContact CB-SD 4.26Å; K3-M273 HydrophobicContact CG-CG 3.94Å; K3-M273 HydrophobicContact CG-SD 3.94Å; L28-M273 HydrophobicContact CD2-CE 3.96Å; L33-M273 HydrophobicContact CD1-SD 4.17Å; V143-M273 HydrophobicContact CG2-SD 3.65Å; L267-M273 HydrophobicContact CB-CE 3.9Å; S268-M273 PolarHBondContact O-N 3.15Å; S268-M273 PolarHBondContact OG-O 3.48Å; L271-M273 VanDerWaalsContact C-N 3.3Å; L271-M273 HydrophobicContact CB-CE 4.07Å; L271-M273 HydrophobicContact CB-CG 3.76Å; L271-M273 HydrophobicContact CB-SD 4.1Å; L271-M273 HydrophobicContact CD1-CE 3.84Å; L271-M273 HydrophobicContact CD1-SD 4.13Å; L271-M273 PolarHBondContact O-N 2.95Å; M273-I275 VanDerWaalsContact C-N 3.32Å; M273-I275 HydrophobicContact CB-CG1 4.27Å; M273-I275 HydrophobicContact CE-CD1 4.49Å; M273-I275 PolarHBondContact O-N 3.23Å
274P75.3Confident82.8Confident111 Ų11163.5 Ų63.572%0.72136%0.363SS*.  trans-73.889.3174.330.7-32.1000108.8E276P274-E276 PolarHBondContact O-N 2.83Å
275I81.1Confident82.5Confident36 Ų3665.8 Ų65.819%0.18537%0.373CS..  trans-87.7107.8173.6-64-172.3000107.5L28 C31 L33 V264 M273L28-I275 HydrophobicContact CD2-CD1 4.18Å; C31-I275 HydrophobicContact CB-CD1 4.5Å; C31-I275 HydrophobicContact CB-CG2 3.71Å; L33-I275 HydrophobicContact CD1-CD1 4.46Å; L33-I275 HydrophobicContact CD1-CG1 4.3Å; V264-I275 HydrophobicContact CG1-CD1 3.62Å; V264-I275 HydrophobicContact CG1-CG2 4.4Å; M273-I275 VanDerWaalsContact C-N 3.32Å; M273-I275 HydrophobicContact CB-CG1 4.27Å; M273-I275 HydrophobicContact CE-CD1 4.49Å; M273-I275 PolarHBondContact O-N 3.23Å
276E65.7Low82.2Confident113 Ų11363.6 Ų63.653%0.52835%0.349SS..  trans-70.9136.8171.9-68.3-179.6173.600109.6P274 K278P274-E276 PolarHBondContact O-N 2.83Å; E276-K278 HydrophobicContact CB-CD 4.42Å; E276-K278 HydrophobicContact CB-CG 4.19Å; E276-K278 PolarHBondContact O-N 3.34Å; E276-K278 VanDerWaalsContact OE2-CD 3.3Å; E276-K278 WeakPolarHBondContact OE2-CD 3.35Å; E276-K278 WeakPolarHBondContact OE2-CE 3.35Å; E276-K278 IonicContact OE2-NZ 2.65Å; E276-K278 PolarHBondContact OE2-NZ 3.45Å
277T57.7Low81.9Confident151 Ų15167.1 Ų67.193%0.92637%0.365SS*.  trans-73.151.1169.132.20000111.1
278K58.1Low81.5Confident135 Ų13570.8 Ų70.859%0.58738%0.383SS*.  trans-69.7159.3170.9-85.4174.4168.8150.60110.5E276 R280E276-K278 HydrophobicContact CB-CD 4.42Å; E276-K278 HydrophobicContact CB-CG 4.19Å; E276-K278 PolarHBondContact O-N 3.34Å; E276-K278 VanDerWaalsContact OE2-CD 3.3Å; E276-K278 WeakPolarHBondContact OE2-CD 3.35Å; E276-K278 WeakPolarHBondContact OE2-CE 3.35Å; E276-K278 IonicContact OE2-NZ 2.65Å; E276-K278 PolarHBondContact OE2-NZ 3.45Å; K278-R280 PolarHBondContact O-N 3.25Å; K278-R280 VanDerWaalsContact O-N 3.09Å
279S57.4Low81.2Confident100 Ų10069.3 Ų69.370%0.69937%0.372SS*.  trans-56.5114.9174.4-177.70000110.1T281S279-T281 PolarHBondContact O-N 3.48Å
280R75.7Confident80.9Confident77 Ų7765.1 Ų65.129%0.29134%0.343SS..  trans-80.659.6-179.6-63.5-177.8174.9173.4-14.4111E259 K278 M282 L283 T284E259-R280 IonicContact OE1-CZ 3.18Å; E259-R280 IonicContact OE1-NH1 2.61Å; E259-R280 PolarHBondContact OE1-NH1 3.01Å; E259-R280 IonicContact OE1-NH2 2.95Å; E259-R280 PolarHBondContact OE1-NH2 3.28Å; E259-R280 IonicContact OE2-CZ 3.99Å; E259-R280 IonicContact OE2-NH1 3.69Å; E259-R280 IonicContact OE2-NH2 3.9Å; K278-R280 PolarHBondContact O-N 3.25Å; K278-R280 VanDerWaalsContact O-N 3.09Å; R280-M282 PolarHBondContact O-N 2.98Å; R280-L283 HydrophobicContact CB-CB 3.96Å; R280-L283 PolarHBondContact O-N 2.84Å; R280-L283 VanDerWaalsContact O-N 3.15Å; R280-T284 PolarHBondContact O-N 3.43Å; R280-T284 PolarHBondContact O-OG1 2.71Å
281T76.9Confident80.5Confident87 Ų8765.9 Ų65.953%0.53435%0.349SS..Hα-helixtrans-56-40.6-179.354.40000111.5S279 T284 K285S279-T281 PolarHBondContact O-N 3.48Å; T281-T284 WeakPolarHBondContact O-CB 3.28Å; T281-T284 PolarHBondContact O-N 3.48Å; T281-K285 PolarHBondContact O-N 2.79Å
282M81.3Confident79.9Confident40 Ų4067.8 Ų67.820%0.19736%0.357CS..Hα-helixtrans-58.8-51.9175.3-174.2179.4-171.100111.5T26 K29 R280 T284 K285 W286T26-M282 HydrophobicContact CG2-CE 4.19Å; K29-M282 HydrophobicContact CB-SD 4.43Å; K29-M282 HydrophobicContact CG-SD 4.31Å; R280-M282 PolarHBondContact O-N 2.98Å; M282-T284 PolarHBondContact O-N 2.99Å; M282-K285 WeakPolarHBondContact O-CB 3.23Å; M282-K285 PolarHBondContact O-N 3.14Å; M282-K285 VanDerWaalsContact O-N 3.08Å; M282-W286 VanDerWaalsContact O-CD1 3.25Å; M282-W286 PolarHBondContact O-N 2.81Å
283L84.4Confident79.5Confident22 Ų2262.9 Ų62.912%0.11533%0.332CS..Hα-helixtrans-61.8-32.7-179.8-162.577.2000112I27 L256 E259 R280 W286 K287I27-L283 HydrophobicContact CG2-CD1 4.46Å; L256-L283 HydrophobicContact CD2-CD1 3.95Å; L256-L283 HydrophobicContact CD2-CG 3.99Å; E259-L283 HydrophobicContact CG-CD2 3.93Å; R280-L283 HydrophobicContact CB-CB 3.96Å; R280-L283 PolarHBondContact O-N 2.84Å; R280-L283 VanDerWaalsContact O-N 3.15Å; L283-W286 WeakPolarHBondContact O-CB 3.37Å; L283-W286 PolarHBondContact O-N 3.49Å; L283-K287 PolarHBondContact O-N 2.82Å
284T86.4Confident79.1Confident71 Ų7165.5 Ų65.544%0.43635%0.347SS..Hα-helixtrans-63.6-46.6174-51.60000111.1R280 T281 M282 W286 K287 E288R280-T284 PolarHBondContact O-N 3.43Å; R280-T284 PolarHBondContact O-OG1 2.71Å; T281-T284 WeakPolarHBondContact O-CB 3.28Å; T281-T284 PolarHBondContact O-N 3.48Å; M282-T284 PolarHBondContact O-N 2.99Å; T284-W286 VanDerWaalsContact C-N 3.29Å; T284-W286 PolarHBondContact O-N 3.02Å; T284-K287 WeakPolarHBondContact O-CB 3.37Å; T284-K287 PolarHBondContact O-N 3.2Å; T284-K287 VanDerWaalsContact O-N 3.14Å; T284-E288 WeakPolarHBondContact O-CG 3.31Å; T284-E288 PolarHBondContact O-N 3.38Å
285K85.2Confident79.5Confident53 Ų5369.3 Ų69.323%0.2335%0.347CS..Hα-helixtrans-58.8-40.6173.6-66-177177.7-169.50111.6T281 M282 E288 M289 I535 Y568 D570T281-K285 PolarHBondContact O-N 2.79Å; M282-K285 WeakPolarHBondContact O-CB 3.23Å; M282-K285 PolarHBondContact O-N 3.14Å; M282-K285 VanDerWaalsContact O-N 3.08Å; K285-E288 PolarHBondContact O-N 3.15Å; K285-M289 WeakPolarHBondContact O-CB 3.36Å; K285-M289 PolarHBondContact O-N 3.28Å; K285-I535 HydrophobicContact CB-CD1 3.94Å; K285-Y568 HydrophobicContact CB-CD1 3.96Å; K285-Y568 HydrophobicContact CB-CE1 4.09Å; K285-Y568 HydrophobicContact CD-CD1 4.45Å; K285-Y568 HydrophobicContact CG-CD1 3.94Å; K285-D570 IonicContact NZ-OD1 3.86Å; K285-D570 PolarHBondContact NZ-OD1 3.1Å; K285-D570 IonicContact NZ-OD2 2.73Å
286W87.8Confident79.4Confident4 Ų469.6 Ų69.62%0.01535%0.348CS..Hα-helixtrans-61.6-42.8174.8-85.384.1000112.8T26 F78 Y252 P255 M282 L283 T284 M289 S290T26-W286 HydrophobicContact CG2-CD2 4.15Å; T26-W286 HydrophobicContact CG2-CH2 4.45Å; T26-W286 HydrophobicContact CG2-CZ2 3.8Å; F78-W286 HydrophobicContact CB-CH2 4.25Å; F78-W286 HydrophobicContact CB-CZ2 4.46Å; F78-W286 AromaticContact CD1-CH2 3.42Å; F78-W286 HydrophobicContact CD1-CH2 3.42Å; F78-W286 VanDerWaalsContact CD1-CH2 3.42Å; F78-W286 HydrophobicContact CD1-CZ2 4.3Å; F78-W286 AromaticContact CD1-CZ3 3.98Å; F78-W286 HydrophobicContact CD1-CZ3 3.98Å; F78-W286 HydrophobicContact CD2-CH2 4.35Å; F78-W286 AromaticContact CE1-CH2 3.75Å; F78-W286 HydrophobicContact CE1-CH2 3.75Å; F78-W286 AromaticContact CE1-CZ3 3.89Å; F78-W286 HydrophobicContact CE1-CZ3 3.89Å; F78-W286 AromaticContact CG-CH2 3.76Å; F78-W286 HydrophobicContact CG-CH2 3.76Å; F78-W286 HydrophobicContact CG-CZ2 4.44Å; F78-W286 HydrophobicContact CZ-CH2 4.34Å; F78-W286 WeakPolarHBondContact O-CZ2 3.47Å; Y252-W286 HydrophobicContact CD1-CE3 4.43Å; Y252-W286 HydrophobicContact CD1-CH2 4Å; Y252-W286 AromaticContact CD1-CZ3 3.57Å; Y252-W286 HydrophobicContact CD1-CZ3 3.57Å; Y252-W286 HydrophobicContact CG-CZ3 4.2Å; P255-W286 HydrophobicContact CG-CE3 4.02Å; P255-W286 HydrophobicContact CG-CZ3 3.89Å; M282-W286 VanDerWaalsContact O-CD1 3.25Å; M282-W286 PolarHBondContact O-N 2.81Å; L283-W286 WeakPolarHBondContact O-CB 3.37Å; L283-W286 PolarHBondContact O-N 3.49Å; T284-W286 VanDerWaalsContact C-N 3.29Å; T284-W286 PolarHBondContact O-N 3.02Å; W286-M289 HydrophobicContact CD2-CE 3.8Å; W286-M289 HydrophobicContact CE3-CE 3.65Å; W286-M289 HydrophobicContact CG-CE 4.27Å; W286-M289 HydrophobicContact CZ3-CE 4.07Å; W286-S290 VanDerWaalsContact O-CB 3.28Å; W286-S290 WeakPolarHBondContact O-CB 3.39Å; W286-S290 PolarHBondContact O-N 3.31Å
287K88.7Confident79.9Confident118 Ų11872.2 Ų72.251%0.51337%0.365SS..Hα-helixtrans-63-48.7176.1-174.4175.4179.7175.60112L256 L283 T284 M289 S290 D291L256-K287 HydrophobicContact CD1-CB 4.21Å; L256-K287 HydrophobicContact CD1-CG 4.39Å; L256-K287 HydrophobicContact CD2-CB 4.19Å; L283-K287 PolarHBondContact O-N 2.82Å; T284-K287 WeakPolarHBondContact O-CB 3.37Å; T284-K287 PolarHBondContact O-N 3.2Å; T284-K287 VanDerWaalsContact O-N 3.14Å; K287-M289 VanDerWaalsContact C-N 3.34Å; K287-M289 PolarHBondContact O-N 3.1Å; K287-S290 PolarHBondContact O-N 2.94Å; K287-D291 WeakPolarHBondContact O-CB 3.38Å; K287-D291 PolarHBondContact O-N 3.46Å
288E87.1Confident81.4Confident78 Ų7870 Ų7036%0.36434%0.344SS..Hα-helixtrans-59.4-44.5178.2-71.1174178.100112.3T284 K285 D291 R292T284-E288 WeakPolarHBondContact O-CG 3.31Å; T284-E288 PolarHBondContact O-N 3.38Å; K285-E288 PolarHBondContact O-N 3.15Å; E288-D291 PolarHBondContact O-N 2.72Å; E288-R292 WeakPolarHBondContact O-CB 3.33Å; E288-R292 PolarHBondContact O-N 3.18Å
289M87.7Confident83Confident2 Ų269 Ų691%0.0134%0.341CS..Hα-helixtrans-61.1-46.6175.8178.2-178.447.900111.7Y252 K285 W286 K287 R292 S293 P534 I535 Y568Y252-M289 HydrophobicContact CD1-CE 4.21Å; Y252-M289 HydrophobicContact CG-CE 4.09Å; K285-M289 WeakPolarHBondContact O-CB 3.36Å; K285-M289 PolarHBondContact O-N 3.28Å; W286-M289 HydrophobicContact CD2-CE 3.8Å; W286-M289 HydrophobicContact CE3-CE 3.65Å; W286-M289 HydrophobicContact CG-CE 4.27Å; W286-M289 HydrophobicContact CZ3-CE 4.07Å; K287-M289 VanDerWaalsContact C-N 3.34Å; K287-M289 PolarHBondContact O-N 3.1Å; M289-R292 WeakPolarHBondContact O-CB 3.45Å; M289-R292 PolarHBondContact O-N 2.95Å; M289-S293 PolarHBondContact O-N 2.89Å; M289-S293 VanDerWaalsContact O-N 3.08Å; M289-P534 HydrophobicContact CE-CB 3.94Å; M289-P534 HydrophobicContact SD-CB 3.31Å; M289-P534 WeakPolarHBondContact SD-CB 3.18Å; M289-I535 HydrophobicContact CE-CG1 4.37Å; M289-I535 HydrophobicContact SD-CG1 4.21Å; M289-Y568 HydrophobicContact CB-CE1 4.38Å; M289-Y568 WeakPolarHBondContact CB-OH 3.28Å
290S87.1Confident84.8Confident0 Ų064.3 Ų64.30%031%0.309CS..Hα-helixtrans-61.8-47178.3178.80000111.4R253 W286 K287 R292 S293 D294R253-S290 WeakPolarHBondContact CG-OG 3.48Å; W286-S290 VanDerWaalsContact O-CB 3.28Å; W286-S290 WeakPolarHBondContact O-CB 3.39Å; W286-S290 PolarHBondContact O-N 3.31Å; K287-S290 PolarHBondContact O-N 2.94Å; S290-R292 VanDerWaalsContact C-N 3.25Å; S290-R292 PolarHBondContact O-N 2.84Å; S290-S293 WeakPolarHBondContact O-CB 3.42Å; S290-S293 PolarHBondContact O-N 3.14Å; S290-S293 VanDerWaalsContact O-N 3.1Å; S290-S293 PolarHBondContact O-OG 3.23Å; S290-D294 PolarHBondContact O-N 2.89Å
291D87.1Confident85.8Confident51 Ų5160.9 Ų60.927%0.27330%0.296SS..Hα-helixtrans-62.2-35178.8-73.7-19.2000111.8K287 E288 D294 R295K287-D291 WeakPolarHBondContact O-CB 3.38Å; K287-D291 PolarHBondContact O-N 3.46Å; E288-D291 PolarHBondContact O-N 2.72Å; D291-D294 PolarHBondContact O-N 3.04Å; D291-R295 WeakPolarHBondContact O-CG 3.33Å
292R84.1Confident86.8Confident40 Ų4056.7 Ų56.715%0.15127%0.271CS..Hα-helixtrans-65-40.6174.3-169.7-174.2-59.7-171.7-0.6111.8E288 M289 S290 D294 R295 L296 L327 D566E288-R292 WeakPolarHBondContact O-CB 3.33Å; E288-R292 PolarHBondContact O-N 3.18Å; M289-R292 WeakPolarHBondContact O-CB 3.45Å; M289-R292 PolarHBondContact O-N 2.95Å; S290-R292 VanDerWaalsContact C-N 3.25Å; S290-R292 PolarHBondContact O-N 2.84Å; R292-D294 PolarHBondContact O-N 2.95Å; R292-R295 PolarHBondContact O-N 3.06Å; R292-L296 HydrophobicContact CG-CD2 4.38Å; R292-L296 WeakPolarHBondContact O-CD2 3.2Å; R292-L296 WeakPolarHBondContact O-CG 3.1Å; R292-L327 WeakPolarHBondContact CD-O 3.42Å; R292-L327 PolarHBondContact NH1-O 3.4Å; R292-D566 PolarHBondContact NH1-O 2.94Å; R292-D566 PolarHBondContact NH2-O 3.42Å
293S84.3Confident87.6Confident23 Ų2354.8 Ų54.816%0.16126%0.262CS..Hα-helixtrans-59.5-28.8-179.777.40000113.2M289 S290 L296 L327M289-S293 PolarHBondContact O-N 2.89Å; M289-S293 VanDerWaalsContact O-N 3.08Å; S290-S293 WeakPolarHBondContact O-CB 3.42Å; S290-S293 PolarHBondContact O-N 3.14Å; S290-S293 VanDerWaalsContact O-N 3.1Å; S290-S293 PolarHBondContact O-OG 3.23Å; S293-L296 WeakPolarHBondContact O-CD1 3.49Å; S293-L327 VanDerWaalsContact CB-CD2 3.48Å
294D82.4Confident88.2Confident64 Ų6453.8 Ų53.834%0.34226%0.256SS..THydrogen-bonded Turntrans-85.5-12.5179.3-60.7-51.2000113.7S249 R253 S290 D291 R292S249-D294 WeakPolarHBondContact CB-OD1 3.39Å; S249-D294 PolarHBondContact OG-OD1 2.92Å; R253-D294 IonicContact CZ-OD2 3.83Å; R253-D294 IonicContact NE-OD1 2.97Å; R253-D294 IonicContact NE-OD2 3.57Å; R253-D294 PolarHBondContact NE-OD2 3.47Å; R253-D294 IonicContact NH2-OD2 3.78Å; R253-D294 PolarHBondContact NH2-OD2 3.29Å; S290-D294 PolarHBondContact O-N 2.89Å; D291-D294 PolarHBondContact O-N 3.04Å; R292-D294 PolarHBondContact O-N 2.95Å
295R83.3Confident88.7Confident191 Ų19150.4 Ų50.472%0.72124%0.235SC*.THydrogen-bonded Turntrans-11519.3-172.4-63.9-178.9-174.1172.25.1113.7D291 R292 L297D291-R295 WeakPolarHBondContact O-CG 3.33Å; R292-R295 PolarHBondContact O-N 3.06Å; R295-L297 PolarHBondContact O-N 3.3Å
296L79.6Confident89.1Confident41 Ų4147.9 Ų47.922%0.21522%0.224CC..  trans-70.9117.9-177.1-58.2171000110.7R292 S293 L327 S330 R332R292-L296 HydrophobicContact CG-CD2 4.38Å; R292-L296 WeakPolarHBondContact O-CD2 3.2Å; R292-L296 WeakPolarHBondContact O-CG 3.1Å; S293-L296 WeakPolarHBondContact O-CD1 3.49Å; L296-L327 HydrophobicContact CD1-CD2 4.25Å; L296-S330 VanDerWaalsContact CD2-C 3.45Å; L296-R332 HydrophobicContact CB-CB 4.06Å; L296-R332 HydrophobicContact CD1-CB 4.48Å
297L75.7Confident89Confident168 Ų16848.8 Ų48.888%0.8823%0.228SC*.  trans-101.7-40.8-176.5-63176.9000113.2R295R295-L297 PolarHBondContact O-N 3.3Å
298E88.2Confident88.4Confident106 Ų10643.6 Ų43.650%0.49521%0.206SC..EExtended strand (participates in β ladder)trans-86.5144.9179.5-66.4-180-17100110.1H331 R332 K551E298-H331 CarbonylContact O-C 3.58Å; E298-H331 VanDerWaalsContact O-CA 3.26Å; E298-H331 WeakPolarHBondContact O-CA 3.44Å; E298-H331 IonicContact OE2-CD2 2.91Å; E298-H331 IonicContact OE2-CE1 3.13Å; E298-H331 IonicContact OE2-NE2 3.93Å; E298-H331 PolarHBondContact OE2-NE2 2.8Å; E298-H331 VanDerWaalsContact OE2-NE2 3.13Å; E298-R332 PolarHBondContact O-N 2.83Å; E298-K551 IonicContact OE2-NZ 3.08Å; E298-K551 PolarHBondContact OE2-NZ 3.45Å
299Q92.5Very high87.8Confident112 Ų11241.4 Ų41.452%0.52320%0.198SC..EExtended strand (participates in β ladder)trans-110.9141.7179.2-178.8170.4-20.700110.1R332 E334Q299-R332 WeakPolarHBondContact CA-O 3.37Å; Q299-E334 HydrophobicContact CG-CB 4.32Å; Q299-E334 VanDerWaalsContact NE2-CD 3.3Å; Q299-E334 PolarHBondContact NE2-OE2 3.15Å
300C94.7Very high87Confident2 Ų249.9 Ų49.91%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-130.5124.2173.3-1740000109.1H331 R332 E334 L545 A548C300-H331 HydrophobicContact CB-CB 4.2Å; C300-R332 PolarHBondContact N-O 3.03Å; C300-E334 PolarHBondContact O-N 3.01Å; C300-L545 HydrophobicContact CB-CD1 4.07Å; C300-L545 VanDerWaalsContact SG-CD1 3.51Å; C300-A548 VanDerWaalsContact SG-CB 3.57Å
301S97.3Very high86.1Confident5 Ų555.5 Ų55.54%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-104.4127.5-175.970.60000112.2E334 S364 A365 D366 G367S301-E334 CarbonylContact C-O 3.53Å; S301-E334 VanDerWaalsContact CA-O 3.32Å; S301-E334 WeakPolarHBondContact CA-O 3.48Å; S301-E334 WeakPolarHBondContact CB-OE2 3.35Å; S301-S364 PolarHBondContact OG-O 2.92Å; S301-A365 WeakPolarHBondContact OG-CA 3.32Å; S301-D366 WeakPolarHBondContact CB-OD2 3.22Å; S301-D366 PolarHBondContact N-OD2 3.24Å; S301-D366 WeakPolarHBondContact O-CA 3.34Å; S301-D366 WeakPolarHBondContact O-CB 3.39Å; S301-D366 PolarHBondContact O-N 3.24Å; S301-D366 PolarHBondContact OG-N 3.13Å; S301-D366 PolarHBondContact OG-OD2 2.93Å; S301-G367 PolarHBondContact O-N 2.85Å
302I98.3Very high85Confident0 Ų056.2 Ų56.20%027%0.268CS..EExtended strand (participates in β ladder)trans-120.7125.1179.1-58-63.3000109.2L304 L322 L333 E334 K336 G367 L369 L544 L545 A548I302-L304 PolarHBondContact O-N 3.42Å; I302-L322 HydrophobicContact CG1-CD2 4.45Å; I302-L322 HydrophobicContact CG2-CD2 4.34Å; I302-L333 HydrophobicContact CG1-CD1 4.06Å; I302-E334 PolarHBondContact N-O 3.46Å; I302-K336 PolarHBondContact O-N 3.3Å; I302-G367 WeakPolarHBondContact CA-O 3.11Å; I302-L369 HydrophobicContact CG2-CB 4.02Å; I302-L544 HydrophobicContact CD1-CD2 4.36Å; I302-L544 HydrophobicContact CD1-CG 4.31Å; I302-L544 HydrophobicContact CG2-CD2 4.29Å; I302-L545 HydrophobicContact CD1-CD1 4.24Å; I302-L545 HydrophobicContact CD1-CD2 4.41Å; I302-L545 HydrophobicContact CG1-CD1 4.08Å; I302-L545 HydrophobicContact CG1-CD2 4.27Å; I302-A548 HydrophobicContact CD1-CB 3.96Å
303A98.1Very high84.5Confident0 Ų058.7 Ų58.70%028%0.284CS..EExtended strand (participates in β ladder)trans-80.1114.6171.300000109.8K336 I338 L362 A365 G367 L369A303-K336 WeakPolarHBondContact CA-O 3.37Å; A303-I338 HydrophobicContact CB-CD1 3.87Å; A303-L362 HydrophobicContact CB-CD1 3.93Å; A303-A365 HydrophobicContact CB-CB 3.57Å; A303-G367 PolarHBondContact N-O 2.86Å; A303-L369 PolarHBondContact O-N 3Å
304L97.3Very high84.5Confident0 Ų057.9 Ų57.90%028%0.279CS..EExtended strand (participates in β ladder)trans-96.4105.1173.3-172.5150.7000108.5I302 G306 Y315 V318 V335 K336 Y337 I338 L369 P371I302-L304 PolarHBondContact O-N 3.42Å; L304-G306 PolarHBondContact O-N 2.89Å; L304-Y315 HydrophobicContact CD2-CD2 3.76Å; L304-Y315 HydrophobicContact CD2-CE2 3.91Å; L304-Y315 HydrophobicContact CD2-CG 4.19Å; L304-V318 HydrophobicContact CD1-CG1 3.81Å; L304-V335 HydrophobicContact CB-CG1 3.85Å; L304-V335 HydrophobicContact CD1-CG1 4.33Å; L304-K336 PolarHBondContact N-O 3.13Å; L304-Y337 HydrophobicContact CD2-CD1 4.34Å; L304-I338 PolarHBondContact O-N 3.35Å; L304-L369 HydrophobicContact CD1-CD2 4.22Å; L304-P371 HydrophobicContact CD2-CG 4.28Å; L304-P371 HydrophobicContact CG-CG 4.49Å
305V96.8Very high84.9Confident0 Ų055.3 Ų55.30%026%0.264CS..EExtended strand (participates in β ladder)trans-95.990.5-176-175.30000109.1I338 L343 L362 V368 L369 V370 P371 K382 A385V305-I338 HydrophobicContact CG2-CB 4.34Å; V305-I338 HydrophobicContact CG2-CD1 4.35Å; V305-L343 HydrophobicContact CG1-CD1 3.79Å; V305-L362 HydrophobicContact CG2-CD1 4.08Å; V305-V368 HydrophobicContact CG2-CG1 4.2Å; V305-L369 PolarHBondContact N-O 3.43Å; V305-V370 HydrophobicContact CB-CG2 4.2Å; V305-P371 WeakPolarHBondContact O-CD 3.28Å; V305-K382 HydrophobicContact CG1-CG 4.17Å; V305-A385 HydrophobicContact CB-CB 4.48Å; V305-A385 HydrophobicContact CG1-CB 4.09Å; V305-A385 HydrophobicContact CG2-CB 4.04Å
306G92.5Very high85.2Confident0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-123.9170.4-169.200000113.5L304 Y315 I338 D339 S340L304-G306 PolarHBondContact O-N 2.89Å; G306-Y315 WeakPolarHBondContact CA-OH 3.47Å; G306-I338 PolarHBondContact N-O 3.19Å; G306-D339 WeakPolarHBondContact O-CA 3.49Å; G306-S340 PolarHBondContact O-N 3.15Å
307K85.4Confident85.9Confident23 Ų2345.1 Ų45.110%0.123%0.227CC..SBendtrans-87.8-31174.1179.1175.9171.3-174.20111.8Y54 Y315 F374 R377Y54-K307 PolarHBondContact OH-O 2.71Å; Y54-K307 VanDerWaalsContact OH-O 3.06Å; K307-Y315 PolarHBondContact N-OH 2.94Å; K307-F374 PolarHBondContact NZ-O 2.78Å; K307-R377 VanDerWaalsContact CG-CZ 3.48Å; K307-R377 PolarHBondContact O-NH2 3.22Å
308Y77.6Confident86.9Confident10 Ų1037.1 Ų37.14%0.03919%0.185CC..  trans-109.856.8-170.6-53-87.6000112.1P53 Y54 Y315 F374P53-Y308 HydrophobicContact CB-CD1 4.15Å; P53-Y308 HydrophobicContact CB-CE1 4.21Å; P53-Y308 HydrophobicContact CB-CG 4.4Å; P53-Y308 HydrophobicContact CG-CE1 4.33Å; P53-Y308 HydrophobicContact CG-CE2 4.43Å; Y54-Y308 AromaticContact CD1-CD1 3.86Å; Y54-Y308 HydrophobicContact CD1-CD1 3.86Å; Y54-Y308 AromaticContact CD2-CD1 3.66Å; Y54-Y308 HydrophobicContact CD2-CD1 3.66Å; Y54-Y308 AromaticContact CD2-CE1 3.65Å; Y54-Y308 HydrophobicContact CD2-CE1 3.65Å; Y54-Y308 AromaticContact CE1-CD1 3.5Å; Y54-Y308 HydrophobicContact CE1-CD1 3.5Å; Y54-Y308 VanDerWaalsContact CE1-CD1 3.5Å; Y54-Y308 HydrophobicContact CE1-CE1 4.4Å; Y54-Y308 HydrophobicContact CE1-CG 4.26Å; Y54-Y308 AromaticContact CE2-CD1 3.28Å; Y54-Y308 HydrophobicContact CE2-CD1 3.28Å; Y54-Y308 AromaticContact CE2-CE1 3.33Å; Y54-Y308 HydrophobicContact CE2-CE1 3.33Å; Y54-Y308 AromaticContact CG-CD1 3.94Å; Y54-Y308 HydrophobicContact CG-CD1 3.94Å; Y54-Y308 HydrophobicContact CG-CE1 4.32Å; Y54-Y308 AromaticContact CZ-CD1 3.18Å; Y54-Y308 AromaticContact CZ-CE1 3.75Å; Y308-Y315 HydrophobicContact CD2-CE2 4.48Å; Y308-Y315 AromaticContact CD2-CZ 3.99Å; Y308-Y315 PolarHBondContact N-OH 2.7Å; Y308-Y315 WeakPolarHBondContact O-CE2 3.22Å; Y308-F374 WeakPolarHBondContact OH-CE1 3.41Å; Y308-F374 WeakPolarHBondContact OH-CZ 3.49Å
309T74.5Confident87.2Confident32 Ų3232.8 Ų32.820%0.19617%0.165CC..  trans-87.5-7.9-171.852.30000115.6I338 D339T309-I338 WeakPolarHBondContact CG2-O 3.28Å; T309-D339 WeakPolarHBondContact OG1-CB 3.45Å
310K70.6Confident87.2Confident179 Ų17929.8 Ų29.878%0.77815%0.15SC*.SBendtrans-80.8-27.1-179.7-67.4-174.5178.8-178.60113.6
311F67.1Low87.3Confident118 Ų11829.7 Ų29.752%0.51815%0.149SC..  trans-117.8120.5179.3-70.9-84.8000108.5Y54 D313 S314Y54-F311 AromaticContact CD1-CD2 3.73Å; Y54-F311 HydrophobicContact CD1-CD2 3.73Å; Y54-F311 HydrophobicContact CD1-CE2 4.26Å; Y54-F311 HydrophobicContact CE1-CD2 4.25Å; F311-D313 PolarHBondContact O-N 2.86Å; F311-S314 PolarHBondContact O-N 3.47Å
312S65.4Low87.3Confident66 Ų6629.4 Ų29.446%0.46215%0.148SC..G310 helixtrans-56.4-32.5177.746.30000112.3S314 Y315 A316 I319S312-S314 VanDerWaalsContact C-N 3.27Å; S312-S314 PolarHBondContact O-N 3.35Å; S312-Y315 PolarHBondContact O-N 2.87Å; S312-A316 PolarHBondContact O-N 3.33Å; S312-I319 WeakPolarHBondContact O-CD1 3.16Å
313D74.1Confident87.1Confident92 Ų9232.1 Ų32.149%0.49216%0.16SC..G310 helixtrans-75.3-19.5-167.7-60.1-1.7000112.5E58 F311 Y315 A316E58-D313 PolarHBondContact N-O 3.45Å; E58-D313 VanDerWaalsContact N-O 3.13Å; F311-D313 PolarHBondContact O-N 2.86Å; D313-Y315 PolarHBondContact O-N 3.06Å; D313-A316 PolarHBondContact O-N 2.82Å
314S84.1Confident86.9Confident6 Ų632.1 Ų32.14%0.04216%0.16CC..G310 helixtrans-67.9-15.9174.7-53.10000113.4P53 F311 S312P53-S314 PolarHBondContact O-OG 3.33Å; F311-S314 PolarHBondContact O-N 3.47Å; S312-S314 VanDerWaalsContact C-N 3.27Å; S312-S314 PolarHBondContact O-N 3.35Å
315Y89.4Confident86.8Confident11 Ų1132.1 Ų32.14%0.04316%0.16CC..G310 helixtrans-130.426.7176.9-66.5-61.5000111.8L304 G306 K307 Y308 S312 D313 S317 V318 I319 P371L304-Y315 HydrophobicContact CD2-CD2 3.76Å; L304-Y315 HydrophobicContact CD2-CE2 3.91Å; L304-Y315 HydrophobicContact CD2-CG 4.19Å; G306-Y315 WeakPolarHBondContact CA-OH 3.47Å; K307-Y315 PolarHBondContact N-OH 2.94Å; Y308-Y315 HydrophobicContact CD2-CE2 4.48Å; Y308-Y315 AromaticContact CD2-CZ 3.99Å; Y308-Y315 PolarHBondContact N-OH 2.7Å; Y308-Y315 WeakPolarHBondContact O-CE2 3.22Å; S312-Y315 PolarHBondContact O-N 2.87Å; D313-Y315 PolarHBondContact O-N 3.06Å; Y315-S317 PolarHBondContact O-N 2.6Å; Y315-V318 HydrophobicContact CD1-CG2 4.41Å; Y315-V318 WeakPolarHBondContact O-CB 3.28Å; Y315-V318 PolarHBondContact O-N 2.89Å; Y315-I319 WeakPolarHBondContact O-CD1 3.07Å; Y315-I319 VanDerWaalsContact O-CG1 3.29Å; Y315-I319 WeakPolarHBondContact O-CG1 3.26Å; Y315-I319 PolarHBondContact O-N 2.67Å; Y315-P371 HydrophobicContact CD1-CB 3.99Å; Y315-P371 HydrophobicContact CD1-CG 3.9Å; Y315-P371 HydrophobicContact CE1-CB 3.71Å; Y315-P371 HydrophobicContact CE1-CG 3.32Å
316A90.9Very high86.7Confident17 Ų1732.3 Ų32.314%0.1416%0.162CC..Hα-helixtrans-56.8-45.6-173.300000112.8L70 S312 D313 V318 I319 K320L70-A316 HydrophobicContact CD1-CB 3.96Å; L70-A316 HydrophobicContact CD2-CB 3.42Å; L70-A316 VanDerWaalsContact CD2-CB 3.42Å; L70-A316 HydrophobicContact CG-CB 4.29Å; S312-A316 PolarHBondContact O-N 3.33Å; D313-A316 PolarHBondContact O-N 2.82Å; A316-V318 VanDerWaalsContact C-N 3.34Å; A316-V318 PolarHBondContact O-N 3.16Å; A316-I319 PolarHBondContact O-N 3.47Å; A316-K320 WeakPolarHBondContact O-CB 3.25Å; A316-K320 WeakPolarHBondContact O-CG 3.17Å; A316-K320 PolarHBondContact O-N 2.91Å
317S94.4Very high86.6Confident0 Ų033 Ų330%017%0.165CC..Hα-helixtrans-63.8-41.1179.4-59.40000112E58 R77 Y315 K320 A321E58-S317 WeakPolarHBondContact OE1-CB 2.92Å; E58-S317 WeakPolarHBondContact OE2-CA 3.46Å; E58-S317 WeakPolarHBondContact OE2-CB 3.48Å; E58-S317 PolarHBondContact OE2-N 3.4Å; E58-S317 PolarHBondContact OE2-OG 3.32Å; R77-S317 PolarHBondContact NH2-OG 3.23Å; Y315-S317 PolarHBondContact O-N 2.6Å; S317-K320 PolarHBondContact O-N 3.16Å; S317-A321 WeakPolarHBondContact O-CB 3.44Å; S317-A321 PolarHBondContact O-N 3.14Å
318V95.5Very high86.8Confident1 Ų132.3 Ų32.31%0.00616%0.164CC..Hα-helixtrans-60.9-48.8176.5176.90000110.6L304 Y315 A316 K320 A321 L322 L369 P371 E529 Y541L304-V318 HydrophobicContact CD1-CG1 3.81Å; Y315-V318 HydrophobicContact CD1-CG2 4.41Å; Y315-V318 WeakPolarHBondContact O-CB 3.28Å; Y315-V318 PolarHBondContact O-N 2.89Å; A316-V318 VanDerWaalsContact C-N 3.34Å; A316-V318 PolarHBondContact O-N 3.16Å; V318-K320 PolarHBondContact O-N 3.18Å; V318-A321 PolarHBondContact O-N 2.85Å; V318-L322 HydrophobicContact CG1-CD1 4.42Å; V318-L322 WeakPolarHBondContact O-CG 3.22Å; V318-L322 PolarHBondContact O-N 2.84Å; V318-L369 HydrophobicContact CG1-CD2 3.36Å; V318-P371 HydrophobicContact CG2-CB 4.35Å; V318-E529 HydrophobicContact CG2-CB 4.38Å; V318-E529 HydrophobicContact CG2-CG 4.06Å; V318-Y541 HydrophobicContact CG1-CE1 4.03Å
319I94.3Very high87.5Confident15 Ų1532.2 Ų32.28%0.07716%0.164CC..Hα-helixtrans-62-44.3178-63.7157.7000110.1S312 Y315 A316 A321 L322 E323 Y337S312-I319 WeakPolarHBondContact O-CD1 3.16Å; Y315-I319 WeakPolarHBondContact O-CD1 3.07Å; Y315-I319 VanDerWaalsContact O-CG1 3.29Å; Y315-I319 WeakPolarHBondContact O-CG1 3.26Å; Y315-I319 PolarHBondContact O-N 2.67Å; A316-I319 PolarHBondContact O-N 3.47Å; I319-A321 VanDerWaalsContact C-N 3.33Å; I319-A321 PolarHBondContact O-N 3.44Å; I319-L322 WeakPolarHBondContact O-CB 3.39Å; I319-L322 PolarHBondContact O-N 3.49Å; I319-E323 HydrophobicContact CG2-CG 4.37Å; I319-E323 WeakPolarHBondContact O-CG 3.4Å; I319-E323 PolarHBondContact O-N 2.78Å; I319-Y337 HydrophobicContact CD1-CE1 4.03Å; I319-Y337 WeakPolarHBondContact CD1-OH 3.33Å
320K93.8Very high88.2Confident48 Ų4832.2 Ų32.221%0.20917%0.165CC..Hα-helixtrans-61.7-39.6175.9-69-42.8-176.6-167.60112.5A316 S317 V318 L322 E323 H324A316-K320 WeakPolarHBondContact O-CB 3.25Å; A316-K320 WeakPolarHBondContact O-CG 3.17Å; A316-K320 PolarHBondContact O-N 2.91Å; S317-K320 PolarHBondContact O-N 3.16Å; V318-K320 PolarHBondContact O-N 3.18Å; K320-L322 VanDerWaalsContact C-N 3.35Å; K320-L322 PolarHBondContact O-N 2.94Å; K320-E323 WeakPolarHBondContact CD-OE2 2.98Å; K320-E323 IonicContact NZ-OE1 3.12Å; K320-E323 PolarHBondContact NZ-OE1 3.11Å; K320-E323 IonicContact NZ-OE2 3.68Å; K320-E323 PolarHBondContact NZ-OE2 2.7Å; K320-E323 PolarHBondContact O-N 3.16Å; K320-H324 PolarHBondContact O-CD2 2.84Å; K320-H324 PolarHBondContact O-N 2.76Å; K320-H324 PolarHBondContact O-ND1 2.89Å
321A96.8Very high89.2Confident0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-65.5-37.8176.600000112.8S317 V318 I319 S325 E529 S532 Y541S317-A321 WeakPolarHBondContact O-CB 3.44Å; S317-A321 PolarHBondContact O-N 3.14Å; V318-A321 PolarHBondContact O-N 2.85Å; I319-A321 VanDerWaalsContact C-N 3.33Å; I319-A321 PolarHBondContact O-N 3.44Å; A321-S325 WeakPolarHBondContact O-CB 3.38Å; A321-S325 PolarHBondContact O-N 3.38Å; A321-S325 VanDerWaalsContact O-N 3.16Å; A321-S325 PolarHBondContact O-OG 2.74Å; A321-E529 HydrophobicContact CB-CB 4.01Å; A321-S532 WeakPolarHBondContact CA-OG 3.04Å; A321-Y541 HydrophobicContact CB-CD1 4.01Å; A321-Y541 HydrophobicContact CB-CD2 3.74Å; A321-Y541 HydrophobicContact CB-CE1 4.14Å; A321-Y541 HydrophobicContact CB-CE2 3.83Å; A321-Y541 HydrophobicContact CB-CG 3.83Å
322L96.8Very high90.4Very high0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-65.2-44.6171.3-67.7168.1000111.4I302 V318 I319 K320 S325 A326 L333 V335 L369 Y541 L544 L545I302-L322 HydrophobicContact CG1-CD2 4.45Å; I302-L322 HydrophobicContact CG2-CD2 4.34Å; V318-L322 HydrophobicContact CG1-CD1 4.42Å; V318-L322 WeakPolarHBondContact O-CG 3.22Å; V318-L322 PolarHBondContact O-N 2.84Å; I319-L322 WeakPolarHBondContact O-CB 3.39Å; I319-L322 PolarHBondContact O-N 3.49Å; K320-L322 VanDerWaalsContact C-N 3.35Å; K320-L322 PolarHBondContact O-N 2.94Å; L322-S325 PolarHBondContact O-N 3.37Å; L322-A326 WeakPolarHBondContact O-CB 3.34Å; L322-A326 PolarHBondContact O-N 3Å; L322-L333 HydrophobicContact CB-CD1 4.21Å; L322-L333 HydrophobicContact CB-CD2 3.48Å; L322-L333 VanDerWaalsContact CB-CD2 3.48Å; L322-V335 HydrophobicContact CD1-CG2 4.31Å; L322-L369 HydrophobicContact CD1-CD2 3.91Å; L322-L369 HydrophobicContact CD2-CD2 4.34Å; L322-L369 HydrophobicContact CG-CD2 4.37Å; L322-Y541 HydrophobicContact CD2-CD1 3.67Å; L322-Y541 HydrophobicContact CD2-CE1 4.2Å; L322-Y541 HydrophobicContact CG-CD1 3.89Å; L322-Y541 HydrophobicContact CG-CE1 4.12Å; L322-L544 HydrophobicContact CD2-CD2 4.28Å; L322-L545 HydrophobicContact CD2-CD2 3.5Å
323E94Very high91.8Very high56 Ų5624.4 Ų24.426%0.26212%0.12SC..Hα-helixtrans-60.3-45.8177.5-75.3175.5-171.900111.6I319 K320 S325 A326 L327 L333I319-E323 HydrophobicContact CG2-CG 4.37Å; I319-E323 WeakPolarHBondContact O-CG 3.4Å; I319-E323 PolarHBondContact O-N 2.78Å; K320-E323 WeakPolarHBondContact CD-OE2 2.98Å; K320-E323 IonicContact NZ-OE1 3.12Å; K320-E323 PolarHBondContact NZ-OE1 3.11Å; K320-E323 IonicContact NZ-OE2 3.68Å; K320-E323 PolarHBondContact NZ-OE2 2.7Å; K320-E323 PolarHBondContact O-N 3.16Å; E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 3.47Å; E323-A326 PolarHBondContact O-N 2.5Å; E323-L327 WeakPolarHBondContact O-CB 3.42Å; E323-L327 VanDerWaalsContact O-CG 3.3Å; E323-L327 WeakPolarHBondContact O-CG 3.1Å; E323-L327 PolarHBondContact O-N 3.49Å; E323-L333 HydrophobicContact CG-CD2 3.97Å
324H94.4Very high92.8Very high1 Ų123.5 Ų23.51%0.00511%0.113CC..Hα-helixtrans-58.3-43.4176-59.4165000111.3Y252 K320 A328 S532 R533 P537Y252-H324 PolarHBondContact OH-CD2 3.49Å; Y252-H324 PolarHBondContact OH-NE2 2.95Å; K320-H324 PolarHBondContact O-CD2 2.84Å; K320-H324 PolarHBondContact O-N 2.76Å; K320-H324 PolarHBondContact O-ND1 2.89Å; H324-A328 WeakPolarHBondContact O-CB 3.35Å; H324-A328 PolarHBondContact O-N 2.92Å; H324-S532 PolarHBondContact ND1-OG 3.42Å; H324-R533 VanDerWaalsContact ND1-C 3.29Å; H324-R533 PolarHBondContact ND1-O 3.05Å; H324-P537 HydrophobicContact CB-CB 4.04Å
325S95.4Very high93.4Very high0 Ų024.4 Ų24.40%012%0.118CC..Hα-helixtrans-67.6-42.4179.7-58.10000111.6A321 L322 E323 A328 I329 Y541 L542A321-S325 WeakPolarHBondContact O-CB 3.38Å; A321-S325 PolarHBondContact O-N 3.38Å; A321-S325 VanDerWaalsContact O-N 3.16Å; A321-S325 PolarHBondContact O-OG 2.74Å; L322-S325 PolarHBondContact O-N 3.37Å; E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 3.47Å; S325-A328 WeakPolarHBondContact O-CB 3.33Å; S325-A328 PolarHBondContact O-N 3.42Å; S325-I329 WeakPolarHBondContact O-CG1 3.44Å; S325-I329 PolarHBondContact O-N 2.88Å; S325-Y541 WeakPolarHBondContact OG-CB 3.43Å; S325-L542 PolarHBondContact OG-N 2.73Å
326A94Very high93.7Very high3 Ų325.3 Ų25.33%0.02512%0.122CC..Hα-helixtrans-64-41.5176.900000112L322 E323 A328 I329 S330 H331 L333L322-A326 WeakPolarHBondContact O-CB 3.34Å; L322-A326 PolarHBondContact O-N 3Å; E323-A326 PolarHBondContact O-N 2.5Å; A326-A328 VanDerWaalsContact C-N 3.34Å; A326-A328 PolarHBondContact O-N 3.12Å; A326-I329 CarbonylContact O-C 3.59Å; A326-I329 WeakPolarHBondContact O-CG1 3.25Å; A326-I329 PolarHBondContact O-N 3.09Å; A326-S330 PolarHBondContact O-N 2.95Å; A326-H331 CarbonylContact C-O 3.55Å; A326-H331 WeakPolarHBondContact CB-O 3.3Å; A326-H331 PolarHBondContact O-N 2.9Å; A326-L333 HydrophobicContact CB-CB 3.82Å
327L90.3Very high93.9Very high15 Ų1528.3 Ų28.38%0.07913%0.13CC..Hα-helixtrans-61.8-40.6173.3-75.4166.8000112.2Y252 R292 S293 L296 E323 I329 S330Y252-L327 HydrophobicContact CD2-CD1 4.27Å; Y252-L327 HydrophobicContact CE2-CD1 3.69Å; R292-L327 WeakPolarHBondContact CD-O 3.42Å; R292-L327 PolarHBondContact NH1-O 3.4Å; S293-L327 VanDerWaalsContact CB-CD2 3.48Å; L296-L327 HydrophobicContact CD1-CD2 4.25Å; E323-L327 WeakPolarHBondContact O-CB 3.42Å; E323-L327 VanDerWaalsContact O-CG 3.3Å; E323-L327 WeakPolarHBondContact O-CG 3.1Å; E323-L327 PolarHBondContact O-N 3.49Å; L327-I329 VanDerWaalsContact C-N 3.28Å; L327-I329 PolarHBondContact O-N 3.28Å; L327-S330 PolarHBondContact O-N 3Å
328A90.3Very high94Very high8 Ų828.4 Ų28.47%0.06613%0.131CC..Hα-helixtrans-63.6-34178.300000112.6H324 S325 A326 P537 L542 L562H324-A328 WeakPolarHBondContact O-CB 3.35Å; H324-A328 PolarHBondContact O-N 2.92Å; S325-A328 WeakPolarHBondContact O-CB 3.33Å; S325-A328 PolarHBondContact O-N 3.42Å; A326-A328 VanDerWaalsContact C-N 3.34Å; A326-A328 PolarHBondContact O-N 3.12Å; A328-P537 HydrophobicContact CB-CG 3.84Å; A328-L542 HydrophobicContact CB-CD1 4.2Å; A328-L562 HydrophobicContact CB-CD1 3.89Å
329I91.1Very high94Very high8 Ų829.9 Ų29.94%0.04114%0.139CC..THydrogen-bonded Turntrans-93.73.5176.466.8163000113.6S325 A326 L327 H331 L542 L545 L546 A549 L562S325-I329 WeakPolarHBondContact O-CG1 3.44Å; S325-I329 PolarHBondContact O-N 2.88Å; A326-I329 CarbonylContact O-C 3.59Å; A326-I329 WeakPolarHBondContact O-CG1 3.25Å; A326-I329 PolarHBondContact O-N 3.09Å; L327-I329 VanDerWaalsContact C-N 3.28Å; L327-I329 PolarHBondContact O-N 3.28Å; I329-H331 HydrophobicContact CD1-CB 4.19Å; I329-H331 WeakPolarHBondContact CD1-ND1 3.43Å; I329-H331 HydrophobicContact CG1-CB 4.2Å; I329-H331 VanDerWaalsContact CG1-ND1 3.33Å; I329-H331 WeakPolarHBondContact CG1-ND1 3.27Å; I329-H331 PolarHBondContact O-CE1 3.47Å; I329-H331 PolarHBondContact O-ND1 3.43Å; I329-L542 HydrophobicContact CG2-CD1 3.83Å; I329-L545 HydrophobicContact CD1-CB 3.93Å; I329-L545 HydrophobicContact CD1-CD1 4.48Å; I329-L546 HydrophobicContact CG2-CD2 3.57Å; I329-L546 HydrophobicContact CG2-CG 3.97Å; I329-A549 HydrophobicContact CD1-CB 4.16Å; I329-L562 HydrophobicContact CG2-CD2 4.41Å
330S90Very high94Very high32 Ų3229.1 Ų29.122%0.22414%0.135CC..THydrogen-bonded Turntrans6336-179.1-53.30000114.8L296 A326 L327 D566L296-S330 VanDerWaalsContact CD2-C 3.45Å; A326-S330 PolarHBondContact O-N 2.95Å; L327-S330 PolarHBondContact O-N 3Å; S330-D566 PolarHBondContact OG-OD1 2.95Å
331H91.9Very high94Very high7 Ų727.8 Ų27.83%0.03213%0.133CC..EExtended strand (participates in β ladder)trans-115.4150.3175.8-61.155.1000112.3E298 C300 A326 I329 K551E298-H331 CarbonylContact O-C 3.58Å; E298-H331 VanDerWaalsContact O-CA 3.26Å; E298-H331 WeakPolarHBondContact O-CA 3.44Å; E298-H331 IonicContact OE2-CD2 2.91Å; E298-H331 IonicContact OE2-CE1 3.13Å; E298-H331 IonicContact OE2-NE2 3.93Å; E298-H331 PolarHBondContact OE2-NE2 2.8Å; E298-H331 VanDerWaalsContact OE2-NE2 3.13Å; C300-H331 HydrophobicContact CB-CB 4.2Å; A326-H331 CarbonylContact C-O 3.55Å; A326-H331 WeakPolarHBondContact CB-O 3.3Å; A326-H331 PolarHBondContact O-N 2.9Å; I329-H331 HydrophobicContact CD1-CB 4.19Å; I329-H331 WeakPolarHBondContact CD1-ND1 3.43Å; I329-H331 HydrophobicContact CG1-CB 4.2Å; I329-H331 VanDerWaalsContact CG1-ND1 3.33Å; I329-H331 WeakPolarHBondContact CG1-ND1 3.27Å; I329-H331 PolarHBondContact O-CE1 3.47Å; I329-H331 PolarHBondContact O-ND1 3.43Å; H331-K551 PolarHBondContact CE1-NZ 3Å; H331-K551 PolarHBondContact NE2-NZ 2.79Å; H331-K551 VanDerWaalsContact NE2-NZ 3.15Å
332R92.4Very high94Very high160 Ų16028.1 Ų28.160%0.60414%0.135SC*.EExtended strand (participates in β ladder)trans-77.8119.5166-174.1176.5-179.6175.80.2109.3L296 E298 Q299 C300L296-R332 HydrophobicContact CB-CB 4.06Å; L296-R332 HydrophobicContact CD1-CB 4.48Å; E298-R332 PolarHBondContact O-N 2.83Å; Q299-R332 WeakPolarHBondContact CA-O 3.37Å; C300-R332 PolarHBondContact N-O 3.03Å
333L94.6Very high94Very high33 Ų3328.1 Ų28.117%0.17314%0.135CC..EExtended strand (participates in β ladder)trans-75.8130.5175.2-179.768.2000110.7I302 L322 E323 A326 V335 L545I302-L333 HydrophobicContact CG1-CD1 4.06Å; L322-L333 HydrophobicContact CB-CD1 4.21Å; L322-L333 HydrophobicContact CB-CD2 3.48Å; L322-L333 VanDerWaalsContact CB-CD2 3.48Å; E323-L333 HydrophobicContact CG-CD2 3.97Å; A326-L333 HydrophobicContact CB-CB 3.82Å; L333-V335 HydrophobicContact CD1-CG2 4.24Å; L333-V335 HydrophobicContact CD2-CG2 3.55Å; L333-V335 HydrophobicContact CG-CG2 3.72Å; L333-L545 HydrophobicContact CD1-CD1 4.25Å
334E95.6Very high94Very high72 Ų7227.1 Ų27.134%0.33613%0.13SC..EExtended strand (participates in β ladder)trans-114.2110.6163.7-176.1-166.4-173.900109Q299 C300 S301 I302 K336Q299-E334 HydrophobicContact CG-CB 4.32Å; Q299-E334 VanDerWaalsContact NE2-CD 3.3Å; Q299-E334 PolarHBondContact NE2-OE2 3.15Å; C300-E334 PolarHBondContact O-N 3.01Å; S301-E334 CarbonylContact C-O 3.53Å; S301-E334 VanDerWaalsContact CA-O 3.32Å; S301-E334 WeakPolarHBondContact CA-O 3.48Å; S301-E334 WeakPolarHBondContact CB-OE2 3.35Å; I302-E334 PolarHBondContact N-O 3.46Å; E334-K336 HydrophobicContact CG-CG 4.48Å; E334-K336 WeakPolarHBondContact OE1-CE 3.23Å
335V95.8Very high94Very high26 Ų2630.2 Ų30.216%0.15815%0.15CC..EExtended strand (participates in β ladder)trans-90.7115.7175-174.20000109.3L304 L322 L333 Y337L304-V335 HydrophobicContact CB-CG1 3.85Å; L304-V335 HydrophobicContact CD1-CG1 4.33Å; L322-V335 HydrophobicContact CD1-CG2 4.31Å; L333-V335 HydrophobicContact CD1-CG2 4.24Å; L333-V335 HydrophobicContact CD2-CG2 3.55Å; L333-V335 HydrophobicContact CG-CG2 3.72Å; V335-Y337 HydrophobicContact CB-CE2 4.04Å; V335-Y337 HydrophobicContact CG1-CD1 4.28Å; V335-Y337 HydrophobicContact CG1-CD2 4.3Å; V335-Y337 HydrophobicContact CG1-CE1 3.92Å; V335-Y337 HydrophobicContact CG1-CE2 3.94Å; V335-Y337 HydrophobicContact CG1-CG 4.46Å
336K95.7Very high93.9Very high29 Ų2933.4 Ų33.413%0.12617%0.17CC..EExtended strand (participates in β ladder)trans-93.2100.2174.2-66.2176.5-179.3171.10108.8I302 A303 L304 E334 S364 A365I302-K336 PolarHBondContact O-N 3.3Å; A303-K336 WeakPolarHBondContact CA-O 3.37Å; L304-K336 PolarHBondContact N-O 3.13Å; E334-K336 HydrophobicContact CG-CG 4.48Å; E334-K336 WeakPolarHBondContact OE1-CE 3.23Å; K336-S364 PolarHBondContact NZ-O 2.86Å; K336-S364 PolarHBondContact NZ-OG 2.92Å; K336-A365 HydrophobicContact CD-CB 4.43Å
337Y95.4Very high93.9Very high81 Ų8133.8 Ų33.832%0.31817%0.172SC..EExtended strand (participates in β ladder)trans-73.4126.3178.5-60.8-88.4000111L304 I319 V335L304-Y337 HydrophobicContact CD2-CD1 4.34Å; I319-Y337 HydrophobicContact CD1-CE1 4.03Å; I319-Y337 WeakPolarHBondContact CD1-OH 3.33Å; V335-Y337 HydrophobicContact CB-CE2 4.04Å; V335-Y337 HydrophobicContact CG1-CD1 4.28Å; V335-Y337 HydrophobicContact CG1-CD2 4.3Å; V335-Y337 HydrophobicContact CG1-CE1 3.92Å; V335-Y337 HydrophobicContact CG1-CE2 3.94Å; V335-Y337 HydrophobicContact CG1-CG 4.46Å
338I95.7Very high94.1Very high2 Ų236.4 Ų36.41%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-127.6116.2179.3-57.4176.5000108.7A303 L304 V305 G306 T309 S340 L343 A358 K361 L362A303-I338 HydrophobicContact CB-CD1 3.87Å; L304-I338 PolarHBondContact O-N 3.35Å; V305-I338 HydrophobicContact CG2-CB 4.34Å; V305-I338 HydrophobicContact CG2-CD1 4.35Å; G306-I338 PolarHBondContact N-O 3.19Å; T309-I338 WeakPolarHBondContact CG2-O 3.28Å; I338-S340 PolarHBondContact O-N 3.08Å; I338-L343 HydrophobicContact CG2-CD1 3.91Å; I338-L343 HydrophobicContact CG2-CD2 4.15Å; I338-L343 HydrophobicContact CG2-CG 3.94Å; I338-A358 HydrophobicContact CG2-CB 3.97Å; I338-K361 HydrophobicContact CD1-CB 3.87Å; I338-K361 HydrophobicContact CG1-CB 4.02Å; I338-L362 HydrophobicContact CD1-CB 3.78Å; I338-L362 HydrophobicContact CD1-CD1 4.26Å
339D94.9Very high94.3Very high31 Ų3144 Ų4417%0.16622%0.22CC..EExtended strand (participates in β ladder)trans-67.7117.2170.3-177.7-1.6000108.3G306 T309 A341 S342 R377G306-D339 WeakPolarHBondContact O-CA 3.49Å; T309-D339 WeakPolarHBondContact OG1-CB 3.45Å; D339-A341 PolarHBondContact O-N 3.38Å; D339-A341 PolarHBondContact OD1-N 3.28Å; D339-S342 WeakPolarHBondContact O-CA 3.43Å; D339-S342 VanDerWaalsContact O-CB 3.23Å; D339-S342 WeakPolarHBondContact O-CB 3.47Å; D339-S342 PolarHBondContact O-N 2.75Å; D339-S342 PolarHBondContact O-OG 2.99Å; D339-R377 IonicContact OD1-NH1 3.16Å
340S95.1Very high94.6Very high0 Ų050.8 Ų50.80%025%0.251CS..G310 helixtrans-62.2-29.9-172.867.30000113G306 I338 S342 L343 G378 G381G306-S340 PolarHBondContact O-N 3.15Å; I338-S340 PolarHBondContact O-N 3.08Å; S340-S342 PolarHBondContact O-N 2.87Å; S340-L343 PolarHBondContact O-N 3.26Å; S340-L343 VanDerWaalsContact O-N 3.09Å; S340-G378 VanDerWaalsContact CB-O 3.31Å; S340-G378 WeakPolarHBondContact CB-O 3.36Å; S340-G378 VanDerWaalsContact OG-CA 3.28Å; S340-G378 WeakPolarHBondContact OG-CA 3.47Å; S340-G378 PolarHBondContact OG-O 2.83Å; S340-G381 WeakPolarHBondContact O-CA 3.29Å
341A94.8Very high94.8Very high20 Ų2053.8 Ų53.817%0.16526%0.262CS..G310 helixtrans-60.9-27.3173.100000112.3D339 L343 E344 T347D339-A341 PolarHBondContact O-N 3.38Å; D339-A341 PolarHBondContact OD1-N 3.28Å; A341-L343 PolarHBondContact O-N 3.17Å; A341-E344 WeakPolarHBondContact O-CB 3.46Å; A341-E344 PolarHBondContact O-N 3.42Å; A341-T347 PolarHBondContact O-OG1 3.11Å
342S95.8Very high95Very high6 Ų656.1 Ų56.14%0.04228%0.278CS..G310 helixtrans-71.9-12.9179-51.40000113.5D339 S340 K354 Y355D339-S342 WeakPolarHBondContact O-CA 3.43Å; D339-S342 VanDerWaalsContact O-CB 3.23Å; D339-S342 WeakPolarHBondContact O-CB 3.47Å; D339-S342 PolarHBondContact O-N 2.75Å; D339-S342 PolarHBondContact O-OG 2.99Å; S340-S342 PolarHBondContact O-N 2.87Å; S342-K354 VanDerWaalsContact OG-CE 3.26Å; S342-K354 WeakPolarHBondContact OG-CE 3.42Å; S342-Y355 WeakPolarHBondContact O-CA 3.33Å; S342-Y355 WeakPolarHBondContact O-CD2 3.32Å
343L96.4Very high95.2Very high0 Ų054.5 Ų54.50%029%0.285CS..G310 helixtrans-91.8-1.1176.1-61.8175.1000112.8V305 I338 S340 A341 Y355 A358 W359 L362 A385V305-L343 HydrophobicContact CG1-CD1 3.79Å; I338-L343 HydrophobicContact CG2-CD1 3.91Å; I338-L343 HydrophobicContact CG2-CD2 4.15Å; I338-L343 HydrophobicContact CG2-CG 3.94Å; S340-L343 PolarHBondContact O-N 3.26Å; S340-L343 VanDerWaalsContact O-N 3.09Å; A341-L343 PolarHBondContact O-N 3.17Å; L343-Y355 WeakPolarHBondContact O-CE2 3.45Å; L343-A358 HydrophobicContact CD2-CB 3.74Å; L343-A358 HydrophobicContact CG-CB 4.44Å; L343-W359 HydrophobicContact CD2-CD2 3.95Å; L343-W359 HydrophobicContact CD2-CG 3.91Å; L343-W359 HydrophobicContact CD2-CZ2 4.45Å; L343-L362 HydrophobicContact CD1-CD2 4.45Å; L343-A385 HydrophobicContact CD1-CB 3.93Å
344E95.5Very high95.2Very high35 Ų3556.6 Ų56.616%0.16429%0.293CS..SBendtrans-83.3151.4-177-65.9-179.7-177.500112.7A341 T346 T347 L348 Y355 G378 E380A341-E344 WeakPolarHBondContact O-CB 3.46Å; A341-E344 PolarHBondContact O-N 3.42Å; E344-T346 PolarHBondContact O-N 2.72Å; E344-T347 PolarHBondContact O-N 3.21Å; E344-T347 VanDerWaalsContact O-N 3.12Å; E344-L348 PolarHBondContact O-N 3.41Å; E344-Y355 WeakPolarHBondContact O-CD2 3.29Å; E344-Y355 WeakPolarHBondContact O-CE2 3.44Å; E344-G378 WeakPolarHBondContact OE1-CA 3.32Å; E344-G378 PolarHBondContact OE1-N 3.25Å; E344-E380 HydrophobicContact CG-CB 4.33Å
345P93.6Very high95.3Very high66 Ų6655 Ų5543%0.42928%0.284SS..Hα-helixtrans-59.6-28.4177.6-25.234.8000114.4L348 Q349P345-L348 WeakPolarHBondContact O-CB 3.41Å; P345-L348 PolarHBondContact O-N 2.9Å; P345-Q349 PolarHBondContact O-N 2.88Å
346T94.1Very high95.3Very high67 Ų6759.1 Ų59.141%0.41130%0.301SS..Hα-helixtrans-60.1-46.717445.70000111E344 L348 Q349 E350E344-T346 PolarHBondContact O-N 2.72Å; T346-L348 VanDerWaalsContact C-N 3.29Å; T346-L348 PolarHBondContact O-N 2.69Å; T346-Q349 WeakPolarHBondContact O-CB 3.3Å; T346-Q349 PolarHBondContact O-N 3.28Å; T346-E350 PolarHBondContact O-N 2.93Å
347T93.8Very high95.4Very high12 Ų1261 Ų617%0.07431%0.313CS..Hα-helixtrans-64-32.6176.5-54.50000112.2A341 E344 Q349 E350 E351 K354A341-T347 PolarHBondContact O-OG1 3.11Å; E344-T347 PolarHBondContact O-N 3.21Å; E344-T347 VanDerWaalsContact O-N 3.12Å; T347-Q349 PolarHBondContact O-N 3.39Å; T347-E350 PolarHBondContact O-N 3.01Å; T347-E351 HydrophobicContact CG2-CB 4.02Å; T347-E351 CarbonylContact O-C 3.47Å; T347-E351 WeakPolarHBondContact O-CA 3.21Å; T347-E351 PolarHBondContact O-N 2.84Å; T347-K354 HydrophobicContact CG2-CB 4.42Å; T347-K354 HydrophobicContact CG2-CD 4.38Å
348L94.3Very high95.4Very high70 Ų7057.4 Ų57.437%0.36630%0.3SS..Hα-helixtrans-60.9-35.4173.517661.5000111.9E344 P345 T346 P352 Y355E344-L348 PolarHBondContact O-N 3.41Å; P345-L348 WeakPolarHBondContact O-CB 3.41Å; P345-L348 PolarHBondContact O-N 2.9Å; T346-L348 VanDerWaalsContact C-N 3.29Å; T346-L348 PolarHBondContact O-N 2.69Å; L348-P352 WeakPolarHBondContact O-CB 3.46Å; L348-Y355 HydrophobicContact CB-CD1 4.06Å; L348-Y355 HydrophobicContact CB-CD2 3.79Å; L348-Y355 HydrophobicContact CB-CE1 4.19Å; L348-Y355 HydrophobicContact CB-CE2 3.93Å; L348-Y355 HydrophobicContact CB-CG 3.85Å; L348-Y355 HydrophobicContact CD1-CD1 3.63Å; L348-Y355 HydrophobicContact CD1-CE1 3.88Å; L348-Y355 HydrophobicContact CD1-CG 4.16Å; L348-Y355 HydrophobicContact CD2-CE1 4.25Å; L348-Y355 HydrophobicContact CG-CD1 4.32Å; L348-Y355 HydrophobicContact CG-CE1 4.33Å
349Q94.5Very high95.5Very high166 Ų16659.6 Ų59.678%0.77631%0.308SS*.Hα-helixtrans-80.2-42.4179.2-62.9177.515.200112.1P345 T346 T347P345-Q349 PolarHBondContact O-N 2.88Å; T346-Q349 WeakPolarHBondContact O-CB 3.3Å; T346-Q349 PolarHBondContact O-N 3.28Å; T347-Q349 PolarHBondContact O-N 3.39Å
350E95.9Very high95.7Very high151 Ų15164.6 Ų64.671%0.70633%0.33SS*.Hα-helixtrans-85.9-42-173.8-65.6178.1-177.600113.2T346 T347T346-E350 PolarHBondContact O-N 2.93Å; T347-E350 PolarHBondContact O-N 3.01Å
351E95.7Very high95.8Very high95 Ų9568.1 Ų68.144%0.44435%0.346SS..  trans-139.165-173.3-62-173-104.400111.8T347 V353 K354 Y355T347-E351 HydrophobicContact CG2-CB 4.02Å; T347-E351 CarbonylContact O-C 3.47Å; T347-E351 WeakPolarHBondContact O-CA 3.21Å; T347-E351 PolarHBondContact O-N 2.84Å; E351-V353 VanDerWaalsContact C-N 3.26Å; E351-V353 PolarHBondContact O-N 2.66Å; E351-V353 VanDerWaalsContact O-N 3.11Å; E351-K354 HydrophobicContact CB-CB 4.05Å; E351-K354 HydrophobicContact CB-CD 4.43Å; E351-K354 WeakPolarHBondContact O-CB 3.14Å; E351-K354 PolarHBondContact O-N 2.87Å; E351-K354 IonicContact OE1-NZ 3.57Å; E351-K354 PolarHBondContact OE1-NZ 2.91Å; E351-K354 WeakPolarHBondContact OE2-CD 3.3Å; E351-Y355 PolarHBondContact O-N 3.49Å; E351-Y355 VanDerWaalsContact O-N 3.15Å
352P95.3Very high95.9Very high57 Ų5767.2 Ų67.237%0.3734%0.338SS..Hα-helixtrans-58.1-33.2-171.419.9-32.8000114.1L348 K354 Y355 H356L348-P352 WeakPolarHBondContact O-CB 3.46Å; P352-K354 VanDerWaalsContact C-N 3.34Å; P352-K354 PolarHBondContact O-N 3.47Å; P352-Y355 PolarHBondContact O-N 3.29Å; P352-H356 PolarHBondContact O-CD2 3.39Å; P352-H356 PolarHBondContact O-N 2.73Å
353V96.4Very high96Very high125 Ų12569.8 Ų69.876%0.75836%0.356SS*.Hα-helixtrans-60.9-45.2177.2178.70000110.9E351 H356 D357E351-V353 VanDerWaalsContact C-N 3.26Å; E351-V353 PolarHBondContact O-N 2.66Å; E351-V353 VanDerWaalsContact O-N 3.11Å; V353-H356 PolarHBondContact O-N 2.81Å; V353-D357 WeakPolarHBondContact O-CB 3.42Å; V353-D357 PolarHBondContact O-N 3.22Å
354K94.9Very high96Very high77 Ų7772.7 Ų72.734%0.33538%0.376SS..Hα-helixtrans-68.1-38.7180-170.9-175.8-179.4-165.70111.3S342 T347 E351 P352 A358S342-K354 VanDerWaalsContact OG-CE 3.26Å; S342-K354 WeakPolarHBondContact OG-CE 3.42Å; T347-K354 HydrophobicContact CG2-CB 4.42Å; T347-K354 HydrophobicContact CG2-CD 4.38Å; E351-K354 HydrophobicContact CB-CB 4.05Å; E351-K354 HydrophobicContact CB-CD 4.43Å; E351-K354 WeakPolarHBondContact O-CB 3.14Å; E351-K354 PolarHBondContact O-N 2.87Å; E351-K354 IonicContact OE1-NZ 3.57Å; E351-K354 PolarHBondContact OE1-NZ 2.91Å; E351-K354 WeakPolarHBondContact OE2-CD 3.3Å; P352-K354 VanDerWaalsContact C-N 3.34Å; P352-K354 PolarHBondContact O-N 3.47Å; K354-A358 WeakPolarHBondContact O-CB 3.46Å; K354-A358 PolarHBondContact O-N 3.13Å
355Y97.3Very high96.1Very high39 Ų3971 Ų7115%0.15337%0.368CS..Hα-helixtrans-60.3-52.3174-179.9-89.2000111.7S342 L343 E344 L348 E351 P352 D357 A358 W359S342-Y355 WeakPolarHBondContact O-CA 3.33Å; S342-Y355 WeakPolarHBondContact O-CD2 3.32Å; L343-Y355 WeakPolarHBondContact O-CE2 3.45Å; E344-Y355 WeakPolarHBondContact O-CD2 3.29Å; E344-Y355 WeakPolarHBondContact O-CE2 3.44Å; L348-Y355 HydrophobicContact CB-CD1 4.06Å; L348-Y355 HydrophobicContact CB-CD2 3.79Å; L348-Y355 HydrophobicContact CB-CE1 4.19Å; L348-Y355 HydrophobicContact CB-CE2 3.93Å; L348-Y355 HydrophobicContact CB-CG 3.85Å; L348-Y355 HydrophobicContact CD1-CD1 3.63Å; L348-Y355 HydrophobicContact CD1-CE1 3.88Å; L348-Y355 HydrophobicContact CD1-CG 4.16Å; L348-Y355 HydrophobicContact CD2-CE1 4.25Å; L348-Y355 HydrophobicContact CG-CD1 4.32Å; L348-Y355 HydrophobicContact CG-CE1 4.33Å; E351-Y355 PolarHBondContact O-N 3.49Å; E351-Y355 VanDerWaalsContact O-N 3.15Å; P352-Y355 PolarHBondContact O-N 3.29Å; Y355-D357 PolarHBondContact O-N 3.27Å; Y355-A358 PolarHBondContact O-N 2.82Å; Y355-W359 AromaticContact CD1-CD1 3.65Å; Y355-W359 AromaticContact CD2-NE1 3.92Å; Y355-W359 AromaticContact CE1-CD1 3.34Å; Y355-W359 HydrophobicContact CE1-CG 4.32Å; Y355-W359 AromaticContact CE1-NE1 3.52Å; Y355-W359 AromaticContact CE2-CD1 3.74Å; Y355-W359 AromaticContact CE2-NE1 3.25Å; Y355-W359 VanDerWaalsContact CE2-NE1 3.25Å; Y355-W359 AromaticContact CG-CD1 3.98Å; Y355-W359 AromaticContact CZ-CD1 3.4Å; Y355-W359 VanDerWaalsContact CZ-CD1 3.4Å; Y355-W359 AromaticContact CZ-NE1 3.02Å; Y355-W359 VanDerWaalsContact O-CD1 3.27Å; Y355-W359 PolarHBondContact O-N 3.05Å; Y355-W359 PolarHBondContact OH-NE1 3.22Å
356H96.8Very high96.3Very high112 Ų11270.8 Ų70.852%0.51936%0.363SS..Hα-helixtrans-66.2-37-178.6-70.6-57000113P352 V353 W359 Q360P352-H356 PolarHBondContact O-CD2 3.39Å; P352-H356 PolarHBondContact O-N 2.73Å; V353-H356 PolarHBondContact O-N 2.81Å; H356-W359 PolarHBondContact O-N 2.86Å; H356-Q360 WeakPolarHBondContact O-CB 3.48Å; H356-Q360 PolarHBondContact O-N 2.96Å
357D96.8Very high96.5Very high70 Ų7067.6 Ų67.637%0.37434%0.344SS..Hα-helixtrans-61.7-44.1173.1176.463.1000111.9V353 Y355 W359 Q360 K361V353-D357 WeakPolarHBondContact O-CB 3.42Å; V353-D357 PolarHBondContact O-N 3.22Å; Y355-D357 PolarHBondContact O-N 3.27Å; D357-W359 PolarHBondContact O-N 3.16Å; D357-Q360 PolarHBondContact O-N 3.32Å; D357-K361 WeakPolarHBondContact O-CG 3.25Å; D357-K361 PolarHBondContact O-N 3.44Å; D357-K361 IonicContact OD1-NZ 3.67Å; D357-K361 VanDerWaalsContact OD2-CE 3.3Å; D357-K361 WeakPolarHBondContact OD2-CE 3.42Å; D357-K361 IonicContact OD2-NZ 3.54Å; D357-K361 PolarHBondContact OD2-NZ 3.3Å
358A96.8Very high96.7Very high5 Ų567 Ų674%0.04134%0.34CS..Hα-helixtrans-60.5-45.8176.100000111.9I338 L343 K354 Y355 K361 L362I338-A358 HydrophobicContact CG2-CB 3.97Å; L343-A358 HydrophobicContact CD2-CB 3.74Å; L343-A358 HydrophobicContact CG-CB 4.44Å; K354-A358 WeakPolarHBondContact O-CB 3.46Å; K354-A358 PolarHBondContact O-N 3.13Å; Y355-A358 PolarHBondContact O-N 2.82Å; A358-K361 PolarHBondContact O-N 3.17Å; A358-L362 PolarHBondContact O-N 2.89Å
359W97.7Very high96.9Very high47 Ų4763.7 Ų63.718%0.17832%0.323CS..Hα-helixtrans-66.9-36.5176.4-82.598.6000113L343 Y355 H356 D357 L362 C363 H384 W388L343-W359 HydrophobicContact CD2-CD2 3.95Å; L343-W359 HydrophobicContact CD2-CG 3.91Å; L343-W359 HydrophobicContact CD2-CZ2 4.45Å; Y355-W359 AromaticContact CD1-CD1 3.65Å; Y355-W359 AromaticContact CD2-NE1 3.92Å; Y355-W359 AromaticContact CE1-CD1 3.34Å; Y355-W359 HydrophobicContact CE1-CG 4.32Å; Y355-W359 AromaticContact CE1-NE1 3.52Å; Y355-W359 AromaticContact CE2-CD1 3.74Å; Y355-W359 AromaticContact CE2-NE1 3.25Å; Y355-W359 VanDerWaalsContact CE2-NE1 3.25Å; Y355-W359 AromaticContact CG-CD1 3.98Å; Y355-W359 AromaticContact CZ-CD1 3.4Å; Y355-W359 VanDerWaalsContact CZ-CD1 3.4Å; Y355-W359 AromaticContact CZ-NE1 3.02Å; Y355-W359 VanDerWaalsContact O-CD1 3.27Å; Y355-W359 PolarHBondContact O-N 3.05Å; Y355-W359 PolarHBondContact OH-NE1 3.22Å; H356-W359 PolarHBondContact O-N 2.86Å; D357-W359 PolarHBondContact O-N 3.16Å; W359-L362 HydrophobicContact CE3-CD2 3.86Å; W359-L362 HydrophobicContact CH2-CD2 4.4Å; W359-L362 HydrophobicContact CZ3-CD2 3.72Å; W359-L362 PolarHBondContact O-N 2.98Å; W359-C363 WeakPolarHBondContact O-CB 3.46Å; W359-C363 PolarHBondContact O-N 2.84Å; W359-C363 PolarHBondContact O-SG 3.3Å; W359-H384 HydrophobicContact CH2-CB 4.18Å; W359-H384 HydrophobicContact CZ2-CB 4.06Å; W359-W388 HydrophobicContact CH2-CB 4.37Å; W359-W388 HydrophobicContact CZ3-CB 3.98Å; W359-W388 AromaticContact CZ3-CD1 3.83Å; W359-W388 AromaticContact CZ3-CG 3.92Å; W359-W388 HydrophobicContact CZ3-CG 3.92Å
360Q97.6Very high97.1Very high136 Ų13655.8 Ų55.864%0.63629%0.286SS*.Hα-helixtrans-63.2-42.2175.2-177.2179.6-10.600111.5H356 D357 C363 S364H356-Q360 WeakPolarHBondContact O-CB 3.48Å; H356-Q360 PolarHBondContact O-N 2.96Å; D357-Q360 PolarHBondContact O-N 3.32Å; Q360-C363 PolarHBondContact O-N 3.41Å; Q360-S364 WeakPolarHBondContact O-CB 3.43Å; Q360-S364 PolarHBondContact O-N 2.73Å; Q360-S364 PolarHBondContact O-OG 3.18Å
361K97.3Very high97.1Very high75 Ų7548.7 Ų48.733%0.32625%0.253SS..Hα-helixtrans-61.1-44.4173.7-74.4167.7179.4164.50111.7I338 D357 A358 S364 A365I338-K361 HydrophobicContact CD1-CB 3.87Å; I338-K361 HydrophobicContact CG1-CB 4.02Å; D357-K361 WeakPolarHBondContact O-CG 3.25Å; D357-K361 PolarHBondContact O-N 3.44Å; D357-K361 IonicContact OD1-NZ 3.67Å; D357-K361 VanDerWaalsContact OD2-CE 3.3Å; D357-K361 WeakPolarHBondContact OD2-CE 3.42Å; D357-K361 IonicContact OD2-NZ 3.54Å; D357-K361 PolarHBondContact OD2-NZ 3.3Å; A358-K361 PolarHBondContact O-N 3.17Å; K361-S364 PolarHBondContact O-OG 3.33Å; K361-S364 VanDerWaalsContact O-OG 3.13Å; K361-A365 PolarHBondContact O-N 2.77Å
362L97.8Very high96.7Very high0 Ų044.9 Ų44.90%024%0.239CC..Hα-helixtrans-62.2-49.3177.5-17565000111.5A303 V305 I338 L343 A358 W359 S364 A365 V368 A385 W388A303-L362 HydrophobicContact CB-CD1 3.93Å; V305-L362 HydrophobicContact CG2-CD1 4.08Å; I338-L362 HydrophobicContact CD1-CB 3.78Å; I338-L362 HydrophobicContact CD1-CD1 4.26Å; L343-L362 HydrophobicContact CD1-CD2 4.45Å; A358-L362 PolarHBondContact O-N 2.89Å; W359-L362 HydrophobicContact CE3-CD2 3.86Å; W359-L362 HydrophobicContact CH2-CD2 4.4Å; W359-L362 HydrophobicContact CZ3-CD2 3.72Å; W359-L362 PolarHBondContact O-N 2.98Å; L362-S364 VanDerWaalsContact C-N 3.3Å; L362-S364 PolarHBondContact O-N 3.15Å; L362-A365 WeakPolarHBondContact O-CB 3.3Å; L362-A365 PolarHBondContact O-N 3.38Å; L362-V368 HydrophobicContact CD1-CG1 4.1Å; L362-V368 HydrophobicContact CD1-CG2 3.77Å; L362-A385 HydrophobicContact CD1-CB 4.35Å; L362-A385 HydrophobicContact CD2-CB 3.99Å; L362-W388 HydrophobicContact CD1-CE3 4.28Å; L362-W388 HydrophobicContact CD1-CZ3 4.35Å; L362-W388 HydrophobicContact CD2-CD2 4.25Å; L362-W388 HydrophobicContact CD2-CE3 4.08Å; L362-W388 HydrophobicContact CD2-CG 4.43Å; L362-W388 HydrophobicContact CG-CD2 4.33Å; L362-W388 HydrophobicContact CG-CE3 3.84Å; L362-W388 HydrophobicContact CG-CZ3 4.01Å; L362-W388 WeakPolarHBondContact O-CH2 3.44Å
363C97.2Very high96.3Very high61 Ų6143.3 Ų43.341%0.41223%0.234SC..Hα-helixtrans-64.2-34.2-177.5-71.90000113.5W359 Q360 A365 W388W359-C363 WeakPolarHBondContact O-CB 3.46Å; W359-C363 PolarHBondContact O-N 2.84Å; W359-C363 PolarHBondContact O-SG 3.3Å; Q360-C363 PolarHBondContact O-N 3.41Å; C363-A365 VanDerWaalsContact C-N 3.31Å; C363-W388 HydrophobicContact CB-CZ2 4.07Å
364S96.9Very high95.6Very high60 Ų6042.2 Ų42.242%0.4222%0.219SC..THydrogen-bonded Turntrans-83.1-2.4179.3650000114.1S301 K336 Q360 K361 L362S301-S364 PolarHBondContact OG-O 2.92Å; K336-S364 PolarHBondContact NZ-O 2.86Å; K336-S364 PolarHBondContact NZ-OG 2.92Å; Q360-S364 WeakPolarHBondContact O-CB 3.43Å; Q360-S364 PolarHBondContact O-N 2.73Å; Q360-S364 PolarHBondContact O-OG 3.18Å; K361-S364 PolarHBondContact O-OG 3.33Å; K361-S364 VanDerWaalsContact O-OG 3.13Å; L362-S364 VanDerWaalsContact C-N 3.3Å; L362-S364 PolarHBondContact O-N 3.15Å
365A97.6Very high95Very high1 Ų139.7 Ų39.71%0.00821%0.214CC..  trans-82.2150.6178.400000112.3S301 A303 K336 K361 L362 C363 K394S301-A365 WeakPolarHBondContact OG-CA 3.32Å; A303-A365 HydrophobicContact CB-CB 3.57Å; K336-A365 HydrophobicContact CD-CB 4.43Å; K361-A365 PolarHBondContact O-N 2.77Å; L362-A365 WeakPolarHBondContact O-CB 3.3Å; L362-A365 PolarHBondContact O-N 3.38Å; C363-A365 VanDerWaalsContact C-N 3.31Å; A365-K394 PolarHBondContact O-NZ 3.45Å
366D97.9Very high94.5Very high60 Ų6042 Ų4232%0.32123%0.232SC..SBendtrans-84.3-26.2177-54.8-56.7000111.7S301 P395 A548S301-D366 WeakPolarHBondContact CB-OD2 3.22Å; S301-D366 PolarHBondContact N-OD2 3.24Å; S301-D366 WeakPolarHBondContact O-CA 3.34Å; S301-D366 WeakPolarHBondContact O-CB 3.39Å; S301-D366 PolarHBondContact O-N 3.24Å; S301-D366 PolarHBondContact OG-N 3.13Å; S301-D366 PolarHBondContact OG-OD2 2.93Å; D366-P395 WeakPolarHBondContact O-CD 3.46Å; D366-A548 HydrophobicContact CB-CB 3.88Å
367G98.1Very high94.1Very high0 Ų041.4 Ų41.40%023%0.225CC..EExtended strand (participates in β ladder)trans-147.8162.8172.500000112.8S301 I302 A303 P395S301-G367 PolarHBondContact O-N 2.85Å; I302-G367 WeakPolarHBondContact CA-O 3.11Å; A303-G367 PolarHBondContact N-O 2.86Å; G367-P395 CarbonylContact C-O 3.57Å; G367-P395 VanDerWaalsContact CA-O 3.3Å; G367-P395 WeakPolarHBondContact CA-O 3.28Å
368V98.6Very high93.8Very high1 Ų138.1 Ų38.11%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-121.1131.7-178.3-177.20000109.6V305 L362 W388 A389 P395 F396 L397V305-V368 HydrophobicContact CG2-CG1 4.2Å; L362-V368 HydrophobicContact CD1-CG1 4.1Å; L362-V368 HydrophobicContact CD1-CG2 3.77Å; V368-W388 HydrophobicContact CG2-CE3 4.38Å; V368-W388 HydrophobicContact CG2-CZ3 4.02Å; V368-A389 HydrophobicContact CB-CB 4.21Å; V368-A389 HydrophobicContact CG2-CB 4.05Å; V368-P395 PolarHBondContact N-O 3.35Å; V368-F396 HydrophobicContact CB-CD2 4.22Å; V368-F396 HydrophobicContact CG1-CD2 4.16Å; V368-F396 WeakPolarHBondContact O-CA 3.49Å; V368-L397 PolarHBondContact O-N 2.93Å
369L98.5Very high93.6Very high0 Ų038.2 Ų38.20%021%0.208CC..EExtended strand (participates in β ladder)trans-123.6124.2175.7177.369.5000109.5I302 A303 L304 V305 V318 L322 L397 V399 Y541 L544I302-L369 HydrophobicContact CG2-CB 4.02Å; A303-L369 PolarHBondContact O-N 3Å; L304-L369 HydrophobicContact CD1-CD2 4.22Å; V305-L369 PolarHBondContact N-O 3.43Å; V318-L369 HydrophobicContact CG1-CD2 3.36Å; L322-L369 HydrophobicContact CD1-CD2 3.91Å; L322-L369 HydrophobicContact CD2-CD2 4.34Å; L322-L369 HydrophobicContact CG-CD2 4.37Å; L369-L397 WeakPolarHBondContact CA-O 3.41Å; L369-L397 HydrophobicContact CD1-CB 3.74Å; L369-L397 HydrophobicContact CD1-CD2 3.78Å; L369-L397 HydrophobicContact CD1-CG 3.77Å; L369-L397 WeakPolarHBondContact CD1-O 3.43Å; L369-V399 HydrophobicContact CD1-CG2 4.21Å; L369-Y541 HydrophobicContact CD1-CE1 4.2Å; L369-Y541 HydrophobicContact CD2-CE1 3.92Å; L369-L544 HydrophobicContact CB-CD2 4.33Å
370V98.1Very high93.5Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-110105.4169.81790000107.8V305 K382 I386 F396 L397 V399V305-V370 HydrophobicContact CB-CG2 4.2Å; V370-K382 HydrophobicContact CG1-CB 4.19Å; V370-K382 HydrophobicContact CG1-CD 3.73Å; V370-K382 HydrophobicContact CG1-CG 3.98Å; V370-I386 HydrophobicContact CG2-CD1 4.37Å; V370-I386 HydrophobicContact CG2-CG1 4.03Å; V370-F396 HydrophobicContact CB-CE2 4.12Å; V370-F396 HydrophobicContact CB-CZ 4.42Å; V370-F396 HydrophobicContact CG2-CE2 3.76Å; V370-F396 HydrophobicContact CG2-CZ 4.42Å; V370-L397 PolarHBondContact N-O 2.84Å; V370-V399 PolarHBondContact O-N 3.02Å
371P95.2Very high93.4Very high1 Ų132.5 Ų32.51%0.00618%0.183CC..  trans-76.9177.8-178.634-36000111.7L304 V305 Y315 V318 V399L304-P371 HydrophobicContact CD2-CG 4.28Å; L304-P371 HydrophobicContact CG-CG 4.49Å; V305-P371 WeakPolarHBondContact O-CD 3.28Å; Y315-P371 HydrophobicContact CD1-CB 3.99Å; Y315-P371 HydrophobicContact CD1-CG 3.9Å; Y315-P371 HydrophobicContact CE1-CB 3.71Å; Y315-P371 HydrophobicContact CE1-CG 3.32Å; V318-P371 HydrophobicContact CG2-CB 4.35Å; P371-V399 CarbonylContact C-O 3.57Å
372G88.1Confident93.4Very high15 Ų1529 Ų2916%0.15517%0.168CC..  trans-59.2162.4171.200000113.3V399G372-V399 WeakPolarHBondContact CA-O 3.28Å; G372-V399 PolarHBondContact N-O 3.42Å; G372-V399 VanDerWaalsContact N-O 3.16Å
373G85.9Confident93.4Very high25 Ų2529.2 Ų29.226%0.25817%0.17SC..  trans-177-178.517800000111.6
374F82.1Confident93.4Very high102 Ų10229.2 Ų29.245%0.44716%0.163SC..  trans-148.1152.4178.262.8-91000111.7P53 K307 Y308P53-F374 HydrophobicContact CG-CE1 4.22Å; K307-F374 PolarHBondContact NZ-O 2.78Å; Y308-F374 WeakPolarHBondContact OH-CE1 3.41Å; Y308-F374 WeakPolarHBondContact OH-CZ 3.49Å
375G83.3Confident93.5Very high23 Ų2326.3 Ų26.324%0.23714%0.143CC..SBendtrans73.9170.1177.900000114.4R377 E424G375-R377 PolarHBondContact O-N 2.58Å; G375-E424 PolarHBondContact N-OE1 2.76Å
376V86.3Confident93.5Very high88 Ų8826.3 Ų26.353%0.53314%0.143SC..SBendtrans-71.9-23.9-166.7-168.20000113.9G378 T379 F425V376-G378 PolarHBondContact O-N 3.48Å; V376-T379 WeakPolarHBondContact O-CG2 3.43Å; V376-T379 PolarHBondContact O-N 3.44Å; V376-T379 PolarHBondContact O-OG1 2.98Å; V376-F425 HydrophobicContact CB-CD1 4.46Å; V376-F425 HydrophobicContact CG2-CD1 4Å
377R88.4Confident93.5Very high99 Ų9924.6 Ų24.637%0.37413%0.134SC..THydrogen-bonded Turntrans-61.3123.2-174-175.3174.679.883.5-6.8111.7Y54 K307 D339 G375 T379Y54-R377 PolarHBondContact OH-NH2 3.46Å; K307-R377 VanDerWaalsContact CG-CZ 3.48Å; K307-R377 PolarHBondContact O-NH2 3.22Å; D339-R377 IonicContact OD1-NH1 3.16Å; G375-R377 PolarHBondContact O-N 2.58Å; R377-T379 VanDerWaalsContact C-N 3.32Å
378G89.6Confident93.6Very high1 Ų126.5 Ų26.51%0.0114%0.141CC..THydrogen-bonded Turntrans75.818.3172.400000113.5S340 E344 V376 K382S340-G378 VanDerWaalsContact CB-O 3.31Å; S340-G378 WeakPolarHBondContact CB-O 3.36Å; S340-G378 VanDerWaalsContact OG-CA 3.28Å; S340-G378 WeakPolarHBondContact OG-CA 3.47Å; S340-G378 PolarHBondContact OG-O 2.83Å; E344-G378 WeakPolarHBondContact OE1-CA 3.32Å; E344-G378 PolarHBondContact OE1-N 3.25Å; V376-G378 PolarHBondContact O-N 3.48Å; G378-K382 WeakPolarHBondContact O-CG 3.33Å; G378-K382 PolarHBondContact O-NZ 2.86Å
379T93.6Very high93.5Very high7 Ų726.4 Ų26.44%0.04314%0.141CC..Hα-helixtrans-74-46.9178.349.90000111.3V376 R377 G381 K382 I383 F425V376-T379 WeakPolarHBondContact O-CG2 3.43Å; V376-T379 PolarHBondContact O-N 3.44Å; V376-T379 PolarHBondContact O-OG1 2.98Å; R377-T379 VanDerWaalsContact C-N 3.32Å; T379-G381 VanDerWaalsContact C-N 3.33Å; T379-G381 PolarHBondContact O-N 2.86Å; T379-K382 WeakPolarHBondContact O-CB 3.08Å; T379-K382 PolarHBondContact O-N 2.87Å; T379-K382 VanDerWaalsContact O-N 3.09Å; T379-I383 PolarHBondContact O-N 2.7Å; T379-F425 HydrophobicContact CG2-CD1 4.25Å; T379-F425 HydrophobicContact CG2-CD2 4.3Å; T379-F425 HydrophobicContact CG2-CE1 3.87Å; T379-F425 HydrophobicContact CG2-CE2 3.96Å; T379-F425 HydrophobicContact CG2-CG 4.46Å; T379-F425 HydrophobicContact CG2-CZ 3.74Å
380E95.2Very high93.5Very high63 Ų6328.4 Ų28.429%0.29415%0.148SC..Hα-helixtrans-63-40.1179.9-68.8-56.8134.300111.8E344 K382 I383 H384 R412E344-E380 HydrophobicContact CG-CB 4.33Å; E380-K382 VanDerWaalsContact C-N 3.29Å; E380-K382 PolarHBondContact O-N 2.81Å; E380-I383 WeakPolarHBondContact O-CB 3.42Å; E380-I383 PolarHBondContact O-N 3.46Å; E380-I383 VanDerWaalsContact O-N 3.13Å; E380-H384 PolarHBondContact O-CD2 3.14Å; E380-H384 VanDerWaalsContact O-CD2 3.23Å; E380-H384 PolarHBondContact O-N 3.01Å; E380-R412 VanDerWaalsContact CD-NH1 3.29Å; E380-R412 IonicContact OE1-CZ 3.21Å; E380-R412 IonicContact OE1-NH1 2.7Å; E380-R412 PolarHBondContact OE1-NH1 2.93Å; E380-R412 IonicContact OE1-NH2 3.63Å; E380-R412 IonicContact OE2-NH1 2.78Å; E380-R412 PolarHBondContact OE2-NH1 2.83Å
381G96.4Very high93.5Very high0 Ų034 Ų340%017%0.172CC..Hα-helixtrans-61.5-34.2174.100000113.9S340 T379 A385S340-G381 WeakPolarHBondContact O-CA 3.29Å; T379-G381 VanDerWaalsContact C-N 3.33Å; T379-G381 PolarHBondContact O-N 2.86Å; G381-A385 PolarHBondContact O-N 3.04Å; G381-A385 VanDerWaalsContact O-N 3.14Å
382K97.3Very high93.6Very high1 Ų139.5 Ų39.50%0.00420%0.198CC..Hα-helixtrans-68.3-44.2172.1-69.8172.4-169.5112.60111.1V305 V370 G378 T379 E380 H384 A385 I386 L405V305-K382 HydrophobicContact CG1-CG 4.17Å; V370-K382 HydrophobicContact CG1-CB 4.19Å; V370-K382 HydrophobicContact CG1-CD 3.73Å; V370-K382 HydrophobicContact CG1-CG 3.98Å; G378-K382 WeakPolarHBondContact O-CG 3.33Å; G378-K382 PolarHBondContact O-NZ 2.86Å; T379-K382 WeakPolarHBondContact O-CB 3.08Å; T379-K382 PolarHBondContact O-N 2.87Å; T379-K382 VanDerWaalsContact O-N 3.09Å; E380-K382 VanDerWaalsContact C-N 3.29Å; E380-K382 PolarHBondContact O-N 2.81Å; K382-H384 VanDerWaalsContact C-N 3.27Å; K382-H384 PolarHBondContact O-N 2.95Å; K382-A385 WeakPolarHBondContact O-CB 3.39Å; K382-A385 PolarHBondContact O-N 3.46Å; K382-A385 VanDerWaalsContact O-N 3.1Å; K382-I386 VanDerWaalsContact O-CG1 3.26Å; K382-I386 WeakPolarHBondContact O-CG1 3.44Å; K382-I386 PolarHBondContact O-N 2.97Å; K382-L405 HydrophobicContact CB-CD1 3.67Å; K382-L405 HydrophobicContact CD-CD1 3.54Å; K382-L405 HydrophobicContact CG-CD1 4.25Å
383I97.4Very high94.1Very high6 Ų645.4 Ų45.43%0.03122%0.215CC..Hα-helixtrans-57.6-42.1176.4-68.7173.2000110.6T379 E380 I386 N387 L405 C408 E409T379-I383 PolarHBondContact O-N 2.7Å; E380-I383 WeakPolarHBondContact O-CB 3.42Å; E380-I383 PolarHBondContact O-N 3.46Å; E380-I383 VanDerWaalsContact O-N 3.13Å; I383-I386 PolarHBondContact O-N 3.37Å; I383-N387 WeakPolarHBondContact O-CB 3.3Å; I383-N387 PolarHBondContact O-N 3.34Å; I383-L405 HydrophobicContact CD1-CD2 4.2Å; I383-L405 HydrophobicContact CG1-CB 4.23Å; I383-L405 HydrophobicContact CG1-CD2 4.17Å; I383-C408 HydrophobicContact CD1-CB 4.35Å; I383-E409 HydrophobicContact CG2-CB 4.02Å; I383-E409 HydrophobicContact CG2-CG 4.11Å
384H97.6Very high94.6Very high60 Ų6046.8 Ų46.828%0.27822%0.215SC..Hα-helixtrans-61.9-42.3174.4-68.7-43.7000112.9W359 E380 K382 I386 N387 W388W359-H384 HydrophobicContact CH2-CB 4.18Å; W359-H384 HydrophobicContact CZ2-CB 4.06Å; E380-H384 PolarHBondContact O-CD2 3.14Å; E380-H384 VanDerWaalsContact O-CD2 3.23Å; E380-H384 PolarHBondContact O-N 3.01Å; K382-H384 VanDerWaalsContact C-N 3.27Å; K382-H384 PolarHBondContact O-N 2.95Å; H384-I386 VanDerWaalsContact C-N 3.35Å; H384-N387 PolarHBondContact O-N 3.23Å; H384-W388 WeakPolarHBondContact O-CB 3.31Å; H384-W388 PolarHBondContact O-N 3.38Å
385A98.1Very high95.4Very high0 Ų042.5 Ų42.50%020%0.197CC..Hα-helixtrans-63.4-40.617600000112.3V305 L343 L362 G381 K382 W388 A389V305-A385 HydrophobicContact CB-CB 4.48Å; V305-A385 HydrophobicContact CG1-CB 4.09Å; V305-A385 HydrophobicContact CG2-CB 4.04Å; L343-A385 HydrophobicContact CD1-CB 3.93Å; L362-A385 HydrophobicContact CD1-CB 4.35Å; L362-A385 HydrophobicContact CD2-CB 3.99Å; G381-A385 PolarHBondContact O-N 3.04Å; G381-A385 VanDerWaalsContact O-N 3.14Å; K382-A385 WeakPolarHBondContact O-CB 3.39Å; K382-A385 PolarHBondContact O-N 3.46Å; K382-A385 VanDerWaalsContact O-N 3.1Å; A385-W388 PolarHBondContact O-N 3.16Å; A385-A389 WeakPolarHBondContact O-CB 3.37Å; A385-A389 PolarHBondContact O-N 3.36Å
386I98.5Very high96.1Very high0 Ų041.4 Ų41.40%019%0.185CC..Hα-helixtrans-65.4-45.8177.4-63165.1000110.7V370 K382 I383 H384 W388 A389 R390 F396 L405 A406 E409 F521V370-I386 HydrophobicContact CG2-CD1 4.37Å; V370-I386 HydrophobicContact CG2-CG1 4.03Å; K382-I386 VanDerWaalsContact O-CG1 3.26Å; K382-I386 WeakPolarHBondContact O-CG1 3.44Å; K382-I386 PolarHBondContact O-N 2.97Å; I383-I386 PolarHBondContact O-N 3.37Å; H384-I386 VanDerWaalsContact C-N 3.35Å; I386-W388 VanDerWaalsContact C-N 3.28Å; I386-W388 PolarHBondContact O-N 2.88Å; I386-A389 PolarHBondContact O-N 3.5Å; I386-R390 WeakPolarHBondContact O-CB 3.3Å; I386-R390 PolarHBondContact O-N 3.24Å; I386-F396 HydrophobicContact CD1-CE2 4.46Å; I386-F396 HydrophobicContact CD1-CZ 4.11Å; I386-F396 HydrophobicContact CG1-CE2 3.66Å; I386-F396 HydrophobicContact CG1-CZ 3.71Å; I386-F396 HydrophobicContact CG2-CE1 4.48Å; I386-F396 HydrophobicContact CG2-CZ 4.27Å; I386-L405 HydrophobicContact CD1-CB 3.75Å; I386-A406 HydrophobicContact CD1-CB 4.37Å; I386-A406 HydrophobicContact CG2-CB 4.05Å; I386-E409 HydrophobicContact CB-CB 4.41Å; I386-E409 HydrophobicContact CB-CG 4.27Å; I386-E409 HydrophobicContact CG2-CB 4.06Å; I386-E409 HydrophobicContact CG2-CG 4.04Å; I386-F521 HydrophobicContact CG2-CE2 4.06Å; I386-F521 HydrophobicContact CG2-CZ 3.73Å
387N98.3Very high96.7Very high24 Ų2437.2 Ų37.213%0.12816%0.16CC..Hα-helixtrans-57.5-43.9176.3-176.6-100.7000111.4I383 H384 R390 K391 E409 N413I383-N387 WeakPolarHBondContact O-CB 3.3Å; I383-N387 PolarHBondContact O-N 3.34Å; H384-N387 PolarHBondContact O-N 3.23Å; N387-R390 PolarHBondContact ND2-NH2 3.31Å; N387-K391 PolarHBondContact ND2-NZ 3.43Å; N387-K391 WeakPolarHBondContact O-CB 3.41Å; N387-K391 WeakPolarHBondContact O-CG 3.3Å; N387-K391 PolarHBondContact O-N 3.21Å; N387-K391 WeakPolarHBondContact OD1-CE 3.16Å; N387-K391 PolarHBondContact OD1-NZ 2.77Å; N387-E409 WeakPolarHBondContact CA-OE1 3.21Å; N387-E409 HydrophobicContact CB-CG 3.8Å; N387-E409 WeakPolarHBondContact CB-OE1 3.34Å; N387-E409 PolarHBondContact ND2-OE1 2.9Å; N387-N413 PolarHBondContact ND2-ND2 3.41Å; N387-N413 PolarHBondContact ND2-OD1 3.03Å
388W98.3Very high97.2Very high40 Ų4032.5 Ų32.515%0.15214%0.142CC..Hα-helixtrans-63.7-47.6176.7-179.388.7000111.4W359 L362 C363 V368 H384 A385 I386 R390 K391 Q392 K394W359-W388 HydrophobicContact CH2-CB 4.37Å; W359-W388 HydrophobicContact CZ3-CB 3.98Å; W359-W388 AromaticContact CZ3-CD1 3.83Å; W359-W388 AromaticContact CZ3-CG 3.92Å; W359-W388 HydrophobicContact CZ3-CG 3.92Å; L362-W388 HydrophobicContact CD1-CE3 4.28Å; L362-W388 HydrophobicContact CD1-CZ3 4.35Å; L362-W388 HydrophobicContact CD2-CD2 4.25Å; L362-W388 HydrophobicContact CD2-CE3 4.08Å; L362-W388 HydrophobicContact CD2-CG 4.43Å; L362-W388 HydrophobicContact CG-CD2 4.33Å; L362-W388 HydrophobicContact CG-CE3 3.84Å; L362-W388 HydrophobicContact CG-CZ3 4.01Å; L362-W388 WeakPolarHBondContact O-CH2 3.44Å; C363-W388 HydrophobicContact CB-CZ2 4.07Å; V368-W388 HydrophobicContact CG2-CE3 4.38Å; V368-W388 HydrophobicContact CG2-CZ3 4.02Å; H384-W388 WeakPolarHBondContact O-CB 3.31Å; H384-W388 PolarHBondContact O-N 3.38Å; A385-W388 PolarHBondContact O-N 3.16Å; I386-W388 VanDerWaalsContact C-N 3.28Å; I386-W388 PolarHBondContact O-N 2.88Å; W388-R390 VanDerWaalsContact C-N 3.35Å; W388-R390 PolarHBondContact O-N 3.18Å; W388-K391 PolarHBondContact O-N 2.88Å; W388-Q392 HydrophobicContact CD2-CG 4.11Å; W388-Q392 HydrophobicContact CG-CG 4.27Å; W388-Q392 HydrophobicContact CZ2-CB 4.31Å; W388-Q392 HydrophobicContact CZ2-CG 4.03Å; W388-Q392 WeakPolarHBondContact O-CB 3.12Å; W388-Q392 WeakPolarHBondContact O-CG 3.41Å; W388-Q392 PolarHBondContact O-N 2.93Å; W388-K394 HydrophobicContact CH2-CD 4.13Å; W388-K394 HydrophobicContact CH2-CG 3.67Å; W388-K394 HydrophobicContact CZ2-CG 4.49Å; W388-K394 HydrophobicContact CZ3-CB 4.09Å; W388-K394 HydrophobicContact CZ3-CD 4.44Å; W388-K394 HydrophobicContact CZ3-CG 3.7Å
389A98.3Very high97.6Very high0 Ų032.4 Ų32.40%014%0.142CC..Hα-helixtrans-58.4-47.2179.600000111.5V368 A385 I386 Q392 R393 K394 F396 H518V368-A389 HydrophobicContact CB-CB 4.21Å; V368-A389 HydrophobicContact CG2-CB 4.05Å; A385-A389 WeakPolarHBondContact O-CB 3.37Å; A385-A389 PolarHBondContact O-N 3.36Å; I386-A389 PolarHBondContact O-N 3.5Å; A389-Q392 PolarHBondContact O-N 2.72Å; A389-R393 PolarHBondContact O-N 3.09Å; A389-K394 HydrophobicContact CB-CB 4.4Å; A389-K394 PolarHBondContact O-N 3.21Å; A389-F396 HydrophobicContact CB-CB 4.22Å; A389-F396 HydrophobicContact CB-CD2 4.39Å; A389-H518 PolarHBondContact O-NE2 3.32Å
390R98.1Very high97.7Very high42 Ų4232.5 Ų32.516%0.15814%0.142CC..Hα-helixtrans-59.3-50.4176.9-174.3178.660.176.9-0.1112.4I386 N387 W388 R393 E409 L515 F521I386-R390 WeakPolarHBondContact O-CB 3.3Å; I386-R390 PolarHBondContact O-N 3.24Å; N387-R390 PolarHBondContact ND2-NH2 3.31Å; W388-R390 VanDerWaalsContact C-N 3.35Å; W388-R390 PolarHBondContact O-N 3.18Å; R390-R393 PolarHBondContact O-N 3.24Å; R390-E409 IonicContact CZ-OE1 3.75Å; R390-E409 IonicContact CZ-OE2 3Å; R390-E409 IonicContact NE-OE1 3.85Å; R390-E409 PolarHBondContact NE-OE1 3.23Å; R390-E409 VanDerWaalsContact NE-OE1 3.13Å; R390-E409 IonicContact NE-OE2 2.79Å; R390-E409 PolarHBondContact NE-OE2 3.13Å; R390-E409 IonicContact NH2-OE1 3.35Å; R390-E409 PolarHBondContact NH2-OE1 3.32Å; R390-L515 HydrophobicContact CG-CD2 3.68Å; R390-F521 HydrophobicContact CB-CD2 4.33Å; R390-F521 HydrophobicContact CB-CE2 3.81Å; R390-F521 HydrophobicContact CG-CE2 4.35Å
391K97.7Very high97.7Very high117 Ų11729.5 Ų29.551%0.50913%0.128SC..Hα-helixtrans-68.1-37-177.2-75.5178.2178.6163.80112.9N387 W388 R393N387-K391 PolarHBondContact ND2-NZ 3.43Å; N387-K391 WeakPolarHBondContact O-CB 3.41Å; N387-K391 WeakPolarHBondContact O-CG 3.3Å; N387-K391 PolarHBondContact O-N 3.21Å; N387-K391 WeakPolarHBondContact OD1-CE 3.16Å; N387-K391 PolarHBondContact OD1-NZ 2.77Å; W388-K391 PolarHBondContact O-N 2.88Å; K391-R393 VanDerWaalsContact C-N 3.27Å
392Q97.7Very high97.8Very high116 Ų11629.5 Ų29.554%0.54213%0.128SC..THydrogen-bonded Turntrans-87.24.9179.2-60.5-54.2-46.400113.2W388 A389 K394W388-Q392 HydrophobicContact CD2-CG 4.11Å; W388-Q392 HydrophobicContact CG-CG 4.27Å; W388-Q392 HydrophobicContact CZ2-CB 4.31Å; W388-Q392 HydrophobicContact CZ2-CG 4.03Å; W388-Q392 WeakPolarHBondContact O-CB 3.12Å; W388-Q392 WeakPolarHBondContact O-CG 3.41Å; W388-Q392 PolarHBondContact O-N 2.93Å; A389-Q392 PolarHBondContact O-N 2.72Å; Q392-K394 HydrophobicContact CB-CG 3.95Å; Q392-K394 PolarHBondContact O-N 3.41Å
393R97.4Very high97.8Very high139 Ų13929.5 Ų29.553%0.52513%0.128SC..THydrogen-bonded Turntrans55.133.9-178.4-54.7175.363.879.95.9112.8A389 R390 K391 D517 H518 P519A389-R393 PolarHBondContact O-N 3.09Å; R390-R393 PolarHBondContact O-N 3.24Å; K391-R393 VanDerWaalsContact C-N 3.27Å; R393-D517 PolarHBondContact NH1-O 3.46Å; R393-D517 PolarHBondContact NH2-O 3.38Å; R393-H518 VanDerWaalsContact CA-NE2 3.33Å; R393-H518 WeakPolarHBondContact CA-NE2 3.44Å; R393-P519 HydrophobicContact CB-CG 4.41Å; R393-P519 WeakPolarHBondContact O-CG 3.5Å
394K97.9Very high97.8Very high55 Ų5529.5 Ų29.524%0.23913%0.128CC..  trans-85.8128.3-179.4-73.3-79.1-172.5164.90109.3A365 W388 A389 Q392 F396 H518A365-K394 PolarHBondContact O-NZ 3.45Å; W388-K394 HydrophobicContact CH2-CD 4.13Å; W388-K394 HydrophobicContact CH2-CG 3.67Å; W388-K394 HydrophobicContact CZ2-CG 4.49Å; W388-K394 HydrophobicContact CZ3-CB 4.09Å; W388-K394 HydrophobicContact CZ3-CD 4.44Å; W388-K394 HydrophobicContact CZ3-CG 3.7Å; A389-K394 HydrophobicContact CB-CB 4.4Å; A389-K394 PolarHBondContact O-N 3.21Å; Q392-K394 HydrophobicContact CB-CG 3.95Å; Q392-K394 PolarHBondContact O-N 3.41Å; K394-F396 PolarHBondContact O-N 3.09Å; K394-H518 PolarHBondContact O-CE1 3.49Å; K394-H518 PolarHBondContact O-NE2 3.25Å
395P98.5Very high97.8Very high11 Ų1126.7 Ų26.77%0.07112%0.115CC..  trans-45.4127.5176.7-3236.6000112.8D366 G367 V368 Y520 L544 A547D366-P395 WeakPolarHBondContact O-CD 3.46Å; G367-P395 CarbonylContact C-O 3.57Å; G367-P395 VanDerWaalsContact CA-O 3.3Å; G367-P395 WeakPolarHBondContact CA-O 3.28Å; V368-P395 PolarHBondContact N-O 3.35Å; P395-Y520 CarbonylContact C-O 3.53Å; P395-Y520 VanDerWaalsContact CA-O 3.3Å; P395-Y520 WeakPolarHBondContact CA-O 3.39Å; P395-L544 HydrophobicContact CB-CD1 3.96Å; P395-A547 HydrophobicContact CB-CB 3.81Å; P395-A547 HydrophobicContact CG-CB 3.78Å
396F98.7Very high97.8Very high0 Ų026.7 Ų26.70%012%0.115CC..EExtended strand (participates in β ladder)trans-130.5136.1-173.4172.3-102.6000111.4V368 V370 I386 A389 K394 A406 Y520 F521 V522V368-F396 HydrophobicContact CB-CD2 4.22Å; V368-F396 HydrophobicContact CG1-CD2 4.16Å; V368-F396 WeakPolarHBondContact O-CA 3.49Å; V370-F396 HydrophobicContact CB-CE2 4.12Å; V370-F396 HydrophobicContact CB-CZ 4.42Å; V370-F396 HydrophobicContact CG2-CE2 3.76Å; V370-F396 HydrophobicContact CG2-CZ 4.42Å; I386-F396 HydrophobicContact CD1-CE2 4.46Å; I386-F396 HydrophobicContact CD1-CZ 4.11Å; I386-F396 HydrophobicContact CG1-CE2 3.66Å; I386-F396 HydrophobicContact CG1-CZ 3.71Å; I386-F396 HydrophobicContact CG2-CE1 4.48Å; I386-F396 HydrophobicContact CG2-CZ 4.27Å; A389-F396 HydrophobicContact CB-CB 4.22Å; A389-F396 HydrophobicContact CB-CD2 4.39Å; K394-F396 PolarHBondContact O-N 3.09Å; F396-A406 HydrophobicContact CE1-CB 4.04Å; F396-A406 HydrophobicContact CZ-CB 4.37Å; F396-Y520 PolarHBondContact N-O 3.25Å; F396-Y520 WeakPolarHBondContact O-CD1 3.5Å; F396-F521 HydrophobicContact CB-CD2 3.71Å; F396-F521 HydrophobicContact CB-CE2 4.08Å; F396-F521 HydrophobicContact CB-CG 4.35Å; F396-F521 HydrophobicContact CD1-CD1 4.08Å; F396-F521 AromaticContact CD1-CD2 3.66Å; F396-F521 HydrophobicContact CD1-CD2 3.66Å; F396-F521 AromaticContact CD1-CE1 3.94Å; F396-F521 HydrophobicContact CD1-CE1 3.94Å; F396-F521 AromaticContact CD1-CE2 3.5Å; F396-F521 HydrophobicContact CD1-CE2 3.5Å; F396-F521 AromaticContact CD1-CG 3.94Å; F396-F521 HydrophobicContact CD1-CG 3.94Å; F396-F521 AromaticContact CD1-CZ 3.66Å; F396-F521 HydrophobicContact CD1-CZ 3.66Å; F396-F521 HydrophobicContact CE1-CE1 4.14Å; F396-F521 HydrophobicContact CE1-CE2 4.15Å; F396-F521 AromaticContact CE1-CZ 3.89Å; F396-F521 HydrophobicContact CE1-CZ 3.89Å; F396-F521 AromaticContact CG-CD2 3.95Å; F396-F521 HydrophobicContact CG-CD2 3.95Å; F396-F521 AromaticContact CG-CE2 3.87Å; F396-F521 HydrophobicContact CG-CE2 3.87Å; F396-F521 HydrophobicContact CG-CZ 4.43Å; F396-V522 PolarHBondContact O-N 3.31Å
397L98.8Very high97.8Very high0 Ų026.7 Ų26.70%012%0.115CC..EExtended strand (participates in β ladder)trans-126.2123.7166.4-178.260.3000110.1V368 L369 V370 V399 Y520 V522 P540 Y541 L544V368-L397 PolarHBondContact O-N 2.93Å; L369-L397 WeakPolarHBondContact CA-O 3.41Å; L369-L397 HydrophobicContact CD1-CB 3.74Å; L369-L397 HydrophobicContact CD1-CD2 3.78Å; L369-L397 HydrophobicContact CD1-CG 3.77Å; L369-L397 WeakPolarHBondContact CD1-O 3.43Å; V370-L397 PolarHBondContact N-O 2.84Å; L397-V399 HydrophobicContact CD2-CG2 4.31Å; L397-V399 HydrophobicContact CG-CG2 4.13Å; L397-Y520 HydrophobicContact CB-CE1 4.46Å; L397-V522 CarbonylContact C-O 3.53Å; L397-V522 VanDerWaalsContact CA-O 3.25Å; L397-V522 WeakPolarHBondContact CA-O 3.49Å; L397-V522 HydrophobicContact CD1-CB 4.24Å; L397-V522 HydrophobicContact CD1-CG1 4.06Å; L397-P540 HydrophobicContact CD1-CB 3.97Å; L397-P540 HydrophobicContact CD2-CB 4.1Å; L397-Y541 HydrophobicContact CD2-CD1 4.14Å; L397-Y541 HydrophobicContact CD2-CD2 4.41Å; L397-Y541 HydrophobicContact CD2-CE1 4.23Å; L397-Y541 HydrophobicContact CD2-CG 4.23Å; L397-L544 HydrophobicContact CB-CB 4.44Å; L397-L544 HydrophobicContact CB-CD1 4.2Å; L397-L544 HydrophobicContact CB-CD2 3.93Å; L397-L544 HydrophobicContact CB-CG 4.42Å; L397-L544 HydrophobicContact CD2-CD2 4.42Å
398G98.4Very high97.7Very high0 Ų025.5 Ų25.50%011%0.109CC..EExtended strand (participates in β ladder)trans-104.8127168.900000110.9V522 G523 V524G398-V522 PolarHBondContact N-O 2.91Å; G398-G523 CarbonylContact O-C 3.34Å; G398-G523 VanDerWaalsContact O-CA 3.22Å; G398-G523 WeakPolarHBondContact O-CA 3.28Å; G398-V524 PolarHBondContact O-N 3.03Å
399V98Very high97.7Very high0 Ų023.6 Ų23.60%010%0.102CC..EExtended strand (participates in β ladder)trans-114.2126.9178.3177.50000110L369 V370 P371 G372 L397 L401 G402 V524 P528L369-V399 HydrophobicContact CD1-CG2 4.21Å; V370-V399 PolarHBondContact O-N 3.02Å; P371-V399 CarbonylContact C-O 3.57Å; G372-V399 WeakPolarHBondContact CA-O 3.28Å; G372-V399 PolarHBondContact N-O 3.42Å; G372-V399 VanDerWaalsContact N-O 3.16Å; L397-V399 HydrophobicContact CD2-CG2 4.31Å; L397-V399 HydrophobicContact CG-CG2 4.13Å; V399-L401 PolarHBondContact O-N 2.94Å; V399-G402 PolarHBondContact O-N 3.26Å; V399-V524 CarbonylContact C-O 3.54Å; V399-V524 HydrophobicContact CG2-CG2 4.38Å; V399-P528 HydrophobicContact CG2-CG 4.33Å
400C95.8Very high97.7Very high8 Ų824.1 Ų24.15%0.05410%0.104CC..THydrogen-bonded Turntrans52.6-107.1-179.7-178.40000110.4G402 M403 Q404 V524 H527C400-G402 PolarHBondContact O-N 3.36Å; C400-G402 VanDerWaalsContact O-N 3.13Å; C400-M403 WeakPolarHBondContact O-CB 3.34Å; C400-M403 PolarHBondContact O-N 2.91Å; C400-Q404 PolarHBondContact O-N 3.24Å; C400-V524 PolarHBondContact N-O 3.32Å; C400-H527 WeakPolarHBondContact CB-NE2 3.34Å
401L95.3Very high97.7Very high1 Ų122.1 Ų22.11%0.00510%0.096CC..Hα-helixtrans-52.8-34.7173.2-179.661.4000113V399 M403 Q404 L405 F425V399-L401 PolarHBondContact O-N 2.94Å; L401-M403 VanDerWaalsContact C-N 3.3Å; L401-M403 PolarHBondContact O-N 3.27Å; L401-Q404 HydrophobicContact CD1-CB 4.48Å; L401-Q404 PolarHBondContact O-N 3.24Å; L401-L405 HydrophobicContact CD1-CD1 4.18Å; L401-L405 HydrophobicContact CD1-CD2 4.24Å; L401-L405 HydrophobicContact CD1-CG 3.88Å; L401-L405 HydrophobicContact CD2-CD1 4.37Å; L401-L405 HydrophobicContact CG-CD1 3.95Å; L401-L405 HydrophobicContact CG-CG 4.1Å; L401-L405 WeakPolarHBondContact O-CG 3.47Å; L401-L405 PolarHBondContact O-N 3.41Å; L401-F425 HydrophobicContact CD1-CE2 4.11Å; L401-F425 HydrophobicContact CD1-CZ 3.73Å
402G97.3Very high97.7Very high0 Ų018.6 Ų18.60%08%0.08CC..Hα-helixtrans-61.6-35.5176.400000113.6V399 C400 A406V399-G402 PolarHBondContact O-N 3.26Å; C400-G402 PolarHBondContact O-N 3.36Å; C400-G402 VanDerWaalsContact O-N 3.13Å; G402-A406 PolarHBondContact O-N 3.46Å
403M97.8Very high97.6Very high0 Ų016.6 Ų16.60%07%0.073CC..Hα-helixtrans-68.6-46.9173.6-173.3-169.29000110.7C400 L401 L405 A406 V407 V485 I513 V524 Q525C400-M403 WeakPolarHBondContact O-CB 3.34Å; C400-M403 PolarHBondContact O-N 2.91Å; L401-M403 VanDerWaalsContact C-N 3.3Å; L401-M403 PolarHBondContact O-N 3.27Å; M403-L405 VanDerWaalsContact C-N 3.33Å; M403-L405 PolarHBondContact O-N 3.37Å; M403-A406 WeakPolarHBondContact O-CB 3.41Å; M403-A406 PolarHBondContact O-N 3.08Å; M403-A406 VanDerWaalsContact O-N 3.08Å; M403-V407 PolarHBondContact O-N 3.18Å; M403-V407 VanDerWaalsContact O-N 3.13Å; M403-V485 HydrophobicContact CE-CG2 3.93Å; M403-I513 HydrophobicContact CG-CD1 3.74Å; M403-I513 HydrophobicContact CG-CG1 3.86Å; M403-I513 HydrophobicContact CG-CG2 4.16Å; M403-I513 HydrophobicContact SD-CG2 4.21Å; M403-V524 VanDerWaalsContact SD-C 3.52Å; M403-Q525 HydrophobicContact CE-CB 3.81Å; M403-Q525 HydrophobicContact CE-CG 4.3Å; M403-Q525 HydrophobicContact SD-CB 3.96Å; M403-Q525 PolarHBondContact SD-N 2.95Å; M403-Q525 VanDerWaalsContact SD-N 3.39Å
404Q97.2Very high97.6Very high7 Ų712.5 Ų12.53%0.0336%0.063CC..Hα-helixtrans-57.8-45.1179-66.9169.3-11.200111.6C400 L401 A406 V407 C408 V434 F483C400-Q404 PolarHBondContact O-N 3.24Å; L401-Q404 HydrophobicContact CD1-CB 4.48Å; L401-Q404 PolarHBondContact O-N 3.24Å; Q404-A406 VanDerWaalsContact C-N 3.29Å; Q404-A406 PolarHBondContact O-N 3.32Å; Q404-V407 WeakPolarHBondContact O-CB 3.34Å; Q404-V407 PolarHBondContact O-N 3.03Å; Q404-C408 PolarHBondContact O-N 3.06Å; Q404-C408 PolarHBondContact O-SG 2.88Å; Q404-V434 HydrophobicContact CB-CG1 4.41Å; Q404-V434 HydrophobicContact CB-CG2 4.04Å; Q404-V434 HydrophobicContact CG-CG1 4.16Å; Q404-V434 HydrophobicContact CG-CG2 4.32Å; Q404-F483 PolarHBondContact NE2-O 3.39Å
405L97.8Very high97.5Very high0 Ų011.4 Ų11.40%06%0.059CC..Hα-helixtrans-69.7-25.6178.1-65.2-179.1000113K382 I383 I386 L401 M403 C408 E409 F425K382-L405 HydrophobicContact CB-CD1 3.67Å; K382-L405 HydrophobicContact CD-CD1 3.54Å; K382-L405 HydrophobicContact CG-CD1 4.25Å; I383-L405 HydrophobicContact CD1-CD2 4.2Å; I383-L405 HydrophobicContact CG1-CB 4.23Å; I383-L405 HydrophobicContact CG1-CD2 4.17Å; I386-L405 HydrophobicContact CD1-CB 3.75Å; L401-L405 HydrophobicContact CD1-CD1 4.18Å; L401-L405 HydrophobicContact CD1-CD2 4.24Å; L401-L405 HydrophobicContact CD1-CG 3.88Å; L401-L405 HydrophobicContact CD2-CD1 4.37Å; L401-L405 HydrophobicContact CG-CD1 3.95Å; L401-L405 HydrophobicContact CG-CG 4.1Å; L401-L405 WeakPolarHBondContact O-CG 3.47Å; L401-L405 PolarHBondContact O-N 3.41Å; M403-L405 VanDerWaalsContact C-N 3.33Å; M403-L405 PolarHBondContact O-N 3.37Å; L405-C408 PolarHBondContact O-N 3.01Å; L405-E409 WeakPolarHBondContact O-CB 3.39Å; L405-E409 PolarHBondContact O-N 3.31Å; L405-F425 HydrophobicContact CD2-CE2 3.9Å
406A98.2Very high97.4Very high0 Ų013.3 Ų13.30%08%0.081CC..Hα-helixtrans-69.4-37.1172.100000111.9I386 F396 G402 M403 Q404 E409 Y410 I513 F521I386-A406 HydrophobicContact CD1-CB 4.37Å; I386-A406 HydrophobicContact CG2-CB 4.05Å; F396-A406 HydrophobicContact CE1-CB 4.04Å; F396-A406 HydrophobicContact CZ-CB 4.37Å; G402-A406 PolarHBondContact O-N 3.46Å; M403-A406 WeakPolarHBondContact O-CB 3.41Å; M403-A406 PolarHBondContact O-N 3.08Å; M403-A406 VanDerWaalsContact O-N 3.08Å; Q404-A406 VanDerWaalsContact C-N 3.29Å; Q404-A406 PolarHBondContact O-N 3.32Å; A406-E409 PolarHBondContact O-N 2.97Å; A406-Y410 WeakPolarHBondContact O-CB 3.35Å; A406-Y410 PolarHBondContact O-N 2.92Å; A406-I513 HydrophobicContact CB-CD1 3.86Å; A406-F521 HydrophobicContact CB-CE1 4.15Å; A406-F521 HydrophobicContact CB-CZ 4.13Å
407V97.9Very high97.3Very high0 Ų015.3 Ų15.30%09%0.089CC..Hα-helixtrans-63.2-46.5171.5178.30000110.5M403 Q404 E409 Y410 A411 V433 V485 F493 F498 F500M403-V407 PolarHBondContact O-N 3.18Å; M403-V407 VanDerWaalsContact O-N 3.13Å; Q404-V407 WeakPolarHBondContact O-CB 3.34Å; Q404-V407 PolarHBondContact O-N 3.03Å; V407-E409 PolarHBondContact O-N 3.31Å; V407-Y410 PolarHBondContact O-N 3.22Å; V407-A411 WeakPolarHBondContact O-CB 3.36Å; V407-A411 PolarHBondContact O-N 2.88Å; V407-V433 HydrophobicContact CG1-CB 4.14Å; V407-V433 HydrophobicContact CG1-CG2 4.43Å; V407-V485 HydrophobicContact CG1-CG1 4.22Å; V407-V485 HydrophobicContact CG2-CG2 3.91Å; V407-F493 HydrophobicContact CG1-CE1 3.69Å; V407-F493 HydrophobicContact CG1-CE2 4.19Å; V407-F493 HydrophobicContact CG1-CZ 3.47Å; V407-F493 VanDerWaalsContact CG1-CZ 3.47Å; V407-F498 HydrophobicContact CG2-CE1 3.95Å; V407-F498 HydrophobicContact CG2-CZ 3.9Å; V407-F500 HydrophobicContact CG2-CE1 4.42Å
408C97.5Very high97Very high0 Ų020.2 Ų20.20%012%0.121CC..Hα-helixtrans-59.1-45.7174.6-64.30000112.2I383 Q404 L405 Y410 A411 R412 V433I383-C408 HydrophobicContact CD1-CB 4.35Å; Q404-C408 PolarHBondContact O-N 3.06Å; Q404-C408 PolarHBondContact O-SG 2.88Å; L405-C408 PolarHBondContact O-N 3.01Å; C408-Y410 VanDerWaalsContact C-N 3.34Å; C408-Y410 PolarHBondContact O-N 3.19Å; C408-A411 PolarHBondContact O-N 3.33Å; C408-R412 VanDerWaalsContact O-CG 3.32Å; C408-R412 WeakPolarHBondContact O-CG 3.5Å; C408-R412 PolarHBondContact O-N 3.27Å; C408-V433 HydrophobicContact CB-CG2 4.45Å
409E97.8Very high96.8Very high0 Ų022.7 Ų22.70%013%0.134CC..Hα-helixtrans-58.8-46.4177.9-174-80.614400111.5I383 I386 N387 R390 L405 A406 V407 R412 N413I383-E409 HydrophobicContact CG2-CB 4.02Å; I383-E409 HydrophobicContact CG2-CG 4.11Å; I386-E409 HydrophobicContact CB-CB 4.41Å; I386-E409 HydrophobicContact CB-CG 4.27Å; I386-E409 HydrophobicContact CG2-CB 4.06Å; I386-E409 HydrophobicContact CG2-CG 4.04Å; N387-E409 WeakPolarHBondContact CA-OE1 3.21Å; N387-E409 HydrophobicContact CB-CG 3.8Å; N387-E409 WeakPolarHBondContact CB-OE1 3.34Å; N387-E409 PolarHBondContact ND2-OE1 2.9Å; R390-E409 IonicContact CZ-OE1 3.75Å; R390-E409 IonicContact CZ-OE2 3Å; R390-E409 IonicContact NE-OE1 3.85Å; R390-E409 PolarHBondContact NE-OE1 3.23Å; R390-E409 VanDerWaalsContact NE-OE1 3.13Å; R390-E409 IonicContact NE-OE2 2.79Å; R390-E409 PolarHBondContact NE-OE2 3.13Å; R390-E409 IonicContact NH2-OE1 3.35Å; R390-E409 PolarHBondContact NH2-OE1 3.32Å; L405-E409 WeakPolarHBondContact O-CB 3.39Å; L405-E409 PolarHBondContact O-N 3.31Å; A406-E409 PolarHBondContact O-N 2.97Å; V407-E409 PolarHBondContact O-N 3.31Å; E409-R412 PolarHBondContact O-N 3.43Å; E409-N413 WeakPolarHBondContact O-CB 3.46Å; E409-N413 PolarHBondContact O-N 2.94Å; E409-N413 PolarHBondContact O-ND2 3.43Å; E409-N413 WeakPolarHBondContact OE1-CB 3.45Å; E409-N413 PolarHBondContact OE1-ND2 3.2Å
410Y98Very high96.7Very high11 Ų1122.7 Ų22.74%0.04313%0.134CC..Hα-helixtrans-66.1-43-177.8-161.7-94.3000111.9A406 V407 C408 R412 N413 V414 L415 F493 K496 F498 L515A406-Y410 WeakPolarHBondContact O-CB 3.35Å; A406-Y410 PolarHBondContact O-N 2.92Å; V407-Y410 PolarHBondContact O-N 3.22Å; C408-Y410 VanDerWaalsContact C-N 3.34Å; C408-Y410 PolarHBondContact O-N 3.19Å; Y410-R412 PolarHBondContact O-N 3.37Å; Y410-N413 PolarHBondContact O-N 3.36Å; Y410-V414 HydrophobicContact CD1-CB 4.09Å; Y410-V414 HydrophobicContact CD2-CB 4.23Å; Y410-V414 HydrophobicContact CD2-CG2 3.8Å; Y410-V414 HydrophobicContact CE1-CB 3.88Å; Y410-V414 HydrophobicContact CE1-CG1 3.87Å; Y410-V414 HydrophobicContact CE1-CG2 4.44Å; Y410-V414 HydrophobicContact CE2-CB 4Å; Y410-V414 HydrophobicContact CE2-CG1 4.14Å; Y410-V414 HydrophobicContact CE2-CG2 3.65Å; Y410-V414 HydrophobicContact CG-CB 4.28Å; Y410-V414 HydrophobicContact CG-CG2 4.26Å; Y410-V414 WeakPolarHBondContact O-CA 3.41Å; Y410-V414 WeakPolarHBondContact O-CB 3.45Å; Y410-V414 PolarHBondContact O-N 3.43Å; Y410-L415 HydrophobicContact CD1-CG 4.38Å; Y410-L415 HydrophobicContact CE1-CD2 4.38Å; Y410-L415 PolarHBondContact O-N 2.78Å; Y410-F493 AromaticContact CD1-CD1 3.66Å; Y410-F493 HydrophobicContact CD1-CD1 3.66Å; Y410-F493 HydrophobicContact CD1-CE1 4.09Å; Y410-F493 HydrophobicContact CE1-CD1 4.4Å; Y410-F493 HydrophobicContact CG-CD1 4.44Å; Y410-K496 HydrophobicContact CE1-CB 4.08Å; Y410-K496 PolarHBondContact OH-O 3.23Å; Y410-F498 HydrophobicContact CD1-CB 3.97Å; Y410-F498 AromaticContact CD1-CD2 4Å; Y410-F498 HydrophobicContact CD1-CD2 4Å; Y410-F498 HydrophobicContact CD1-CG 4.1Å; Y410-F498 AromaticContact CD2-CD2 3.54Å; Y410-F498 HydrophobicContact CD2-CD2 3.54Å; Y410-F498 HydrophobicContact CD2-CE2 4.12Å; Y410-F498 HydrophobicContact CD2-CG 4.38Å; Y410-F498 HydrophobicContact CE1-CB 3.61Å; Y410-F498 HydrophobicContact CE1-CD2 4.32Å; Y410-F498 HydrophobicContact CE1-CG 4.23Å; Y410-F498 HydrophobicContact CE2-CB 4.21Å; Y410-F498 AromaticContact CE2-CD2 3.92Å; Y410-F498 HydrophobicContact CE2-CD2 3.92Å; Y410-F498 HydrophobicContact CG-CB 4.38Å; Y410-F498 AromaticContact CG-CD2 3.57Å; Y410-F498 HydrophobicContact CG-CD2 3.57Å; Y410-F498 HydrophobicContact CG-CE2 4.03Å; Y410-F498 HydrophobicContact CG-CG 4.15Å; Y410-L515 HydrophobicContact CD2-CD1 4.37Å; Y410-L515 HydrophobicContact CE2-CD1 3.55Å
411A97.6Very high96.7Very high0 Ų023.1 Ų23.10%014%0.136CC..Iπ-helixtrans-59.5-47.1175.800000112V407 C408 N413 L415 G416 W417 A420 V433 F493V407-A411 WeakPolarHBondContact O-CB 3.36Å; V407-A411 PolarHBondContact O-N 2.88Å; C408-A411 PolarHBondContact O-N 3.33Å; A411-N413 PolarHBondContact O-N 3.05Å; A411-L415 HydrophobicContact CB-CD1 4.41Å; A411-L415 CarbonylContact O-C 3.49Å; A411-L415 WeakPolarHBondContact O-CB 3.42Å; A411-L415 PolarHBondContact O-N 3.2Å; A411-G416 PolarHBondContact O-N 3.5Å; A411-G416 VanDerWaalsContact O-N 3.07Å; A411-W417 HydrophobicContact CB-CE3 4.12Å; A411-W417 PolarHBondContact O-N 3.48Å; A411-A420 HydrophobicContact CB-CB 3.6Å; A411-V433 HydrophobicContact CB-CG1 3.91Å; A411-F493 HydrophobicContact CB-CE1 4.09Å; A411-F493 HydrophobicContact CB-CZ 3.92Å
412R97.3Very high96.6Very high43 Ų4323.1 Ų23.116%0.16214%0.136CC..Iπ-helixtrans-64.8-42.1179.8-69.9178-173.2-1773.5112.8E380 C408 E409 Y410 W417 A420 N421E380-R412 VanDerWaalsContact CD-NH1 3.29Å; E380-R412 IonicContact OE1-CZ 3.21Å; E380-R412 IonicContact OE1-NH1 2.7Å; E380-R412 PolarHBondContact OE1-NH1 2.93Å; E380-R412 IonicContact OE1-NH2 3.63Å; E380-R412 IonicContact OE2-NH1 2.78Å; E380-R412 PolarHBondContact OE2-NH1 2.83Å; C408-R412 VanDerWaalsContact O-CG 3.32Å; C408-R412 WeakPolarHBondContact O-CG 3.5Å; C408-R412 PolarHBondContact O-N 3.27Å; E409-R412 PolarHBondContact O-N 3.43Å; Y410-R412 PolarHBondContact O-N 3.37Å; R412-W417 WeakPolarHBondContact CA-O 3.49Å; R412-W417 WeakPolarHBondContact CG-O 3.33Å; R412-A420 HydrophobicContact CG-CB 4.33Å; R412-A420 PolarHBondContact NE-O 3.14Å; R412-A420 PolarHBondContact NH2-O 3.34Å; R412-A420 VanDerWaalsContact NH2-O 3.11Å; R412-N421 PolarHBondContact NH2-ND2 2.93Å; R412-N421 VanDerWaalsContact NH2-ND2 3.2Å; R412-N421 PolarHBondContact NH2-OD1 2.98Å
413N96.8Very high96.3Very high74 Ų7424.9 Ų24.940%0.39615%0.146SC..Iπ-helixtrans-99.6-27.1-167.2-69.5-90.5000114.6N387 E409 Y410 A411N387-N413 PolarHBondContact ND2-ND2 3.41Å; N387-N413 PolarHBondContact ND2-OD1 3.03Å; E409-N413 WeakPolarHBondContact O-CB 3.46Å; E409-N413 PolarHBondContact O-N 2.94Å; E409-N413 PolarHBondContact O-ND2 3.43Å; E409-N413 WeakPolarHBondContact OE1-CB 3.45Å; E409-N413 PolarHBondContact OE1-ND2 3.2Å; Y410-N413 PolarHBondContact O-N 3.36Å; A411-N413 PolarHBondContact O-N 3.05Å
414V96.9Very high95.9Very high52 Ų5227.5 Ų27.532%0.31516%0.159SC..Iπ-helixtrans-111.7-41.7-175.6-175.20000111.6Y410 G416Y410-V414 HydrophobicContact CD1-CB 4.09Å; Y410-V414 HydrophobicContact CD2-CB 4.23Å; Y410-V414 HydrophobicContact CD2-CG2 3.8Å; Y410-V414 HydrophobicContact CE1-CB 3.88Å; Y410-V414 HydrophobicContact CE1-CG1 3.87Å; Y410-V414 HydrophobicContact CE1-CG2 4.44Å; Y410-V414 HydrophobicContact CE2-CB 4Å; Y410-V414 HydrophobicContact CE2-CG1 4.14Å; Y410-V414 HydrophobicContact CE2-CG2 3.65Å; Y410-V414 HydrophobicContact CG-CB 4.28Å; Y410-V414 HydrophobicContact CG-CG2 4.26Å; Y410-V414 WeakPolarHBondContact O-CA 3.41Å; Y410-V414 WeakPolarHBondContact O-CB 3.45Å; Y410-V414 PolarHBondContact O-N 3.43Å; V414-G416 VanDerWaalsContact C-N 3.34Å
415L95.9Very high95.6Very high32 Ų3228.6 Ų28.617%0.16816%0.164CC..Iπ-helixtrans-80.4-18.9175-53.2-176.6000112.6Y410 A411 W417 H492 F493 K496Y410-L415 HydrophobicContact CD1-CG 4.38Å; Y410-L415 HydrophobicContact CE1-CD2 4.38Å; Y410-L415 PolarHBondContact O-N 2.78Å; A411-L415 HydrophobicContact CB-CD1 4.41Å; A411-L415 CarbonylContact O-C 3.49Å; A411-L415 WeakPolarHBondContact O-CB 3.42Å; A411-L415 PolarHBondContact O-N 3.2Å; L415-W417 HydrophobicContact CB-CD2 4.06Å; L415-W417 HydrophobicContact CB-CE3 4.31Å; L415-W417 HydrophobicContact CB-CG 4.39Å; L415-W417 HydrophobicContact CD1-CD2 4.5Å; L415-W417 HydrophobicContact CD1-CE3 3.99Å; L415-W417 HydrophobicContact CD1-CH2 3.94Å; L415-W417 HydrophobicContact CD1-CZ2 4.44Å; L415-W417 HydrophobicContact CD1-CZ3 3.69Å; L415-H492 HydrophobicContact CD1-CB 4.12Å; L415-H492 VanDerWaalsContact CD2-O 3.28Å; L415-H492 WeakPolarHBondContact CD2-O 3.28Å; L415-F493 HydrophobicContact CD1-CD1 4.05Å; L415-F493 HydrophobicContact CD1-CD2 4.28Å; L415-F493 HydrophobicContact CD1-CE1 3.91Å; L415-F493 HydrophobicContact CD1-CE2 4.16Å; L415-F493 HydrophobicContact CD1-CG 4.22Å; L415-F493 HydrophobicContact CD1-CZ 3.96Å; L415-K496 HydrophobicContact CD2-CB 4.31Å; L415-K496 HydrophobicContact CD2-CG 3.75Å
416G95.7Very high95.3Very high51 Ų5131.3 Ų31.353%0.52618%0.178SC..  trans77.529.4177.700000113.3A411 V414 P418A411-G416 PolarHBondContact O-N 3.5Å; A411-G416 VanDerWaalsContact O-N 3.07Å; V414-G416 VanDerWaalsContact C-N 3.34Å; G416-P418 WeakPolarHBondContact O-CD 3.43Å
417W96.4Very high94.9Very high42 Ų4235.8 Ų35.816%0.15921%0.207CC..  trans-100.984175.8-59.5-21.3000109.9A411 R412 L415 D419 A420 H431 V433 L489 H492A411-W417 HydrophobicContact CB-CE3 4.12Å; A411-W417 PolarHBondContact O-N 3.48Å; R412-W417 WeakPolarHBondContact CA-O 3.49Å; R412-W417 WeakPolarHBondContact CG-O 3.33Å; L415-W417 HydrophobicContact CB-CD2 4.06Å; L415-W417 HydrophobicContact CB-CE3 4.31Å; L415-W417 HydrophobicContact CB-CG 4.39Å; L415-W417 HydrophobicContact CD1-CD2 4.5Å; L415-W417 HydrophobicContact CD1-CE3 3.99Å; L415-W417 HydrophobicContact CD1-CH2 3.94Å; L415-W417 HydrophobicContact CD1-CZ2 4.44Å; L415-W417 HydrophobicContact CD1-CZ3 3.69Å; W417-D419 PolarHBondContact O-N 2.92Å; W417-A420 HydrophobicContact CB-CB 3.85Å; W417-A420 VanDerWaalsContact O-CB 3.23Å; W417-A420 WeakPolarHBondContact O-CB 3.41Å; W417-A420 PolarHBondContact O-N 3.1Å; W417-H431 HydrophobicContact CB-CB 4.34Å; W417-H431 AromaticContact CD1-NE2 3.96Å; W417-H431 AromaticContact CD2-CD2 3.78Å; W417-H431 HydrophobicContact CE3-CB 4.27Å; W417-H431 AromaticContact CG-CD2 3.87Å; W417-V433 HydrophobicContact CE3-CG1 4.36Å; W417-V433 HydrophobicContact CZ3-CG1 4.41Å; W417-L489 HydrophobicContact CH2-CD2 4.32Å; W417-L489 HydrophobicContact CZ3-CD1 4.45Å; W417-L489 HydrophobicContact CZ3-CD2 4.46Å; W417-H492 HydrophobicContact CH2-CB 3.6Å; W417-H492 AromaticContact CH2-CD2 3.67Å; W417-H492 AromaticContact CH2-CG 3.56Å; W417-H492 HydrophobicContact CZ2-CB 4.19Å; W417-H492 AromaticContact CZ2-CG 3.94Å; W417-H492 HydrophobicContact CZ3-CB 4.49Å
418P94.1Very high94.6Very high104 Ų10443.8 Ų43.868%0.67524%0.244SC*.THydrogen-bonded Turntrans-64-25.2-170.626.8-36.5000113.4G416G416-P418 WeakPolarHBondContact O-CD 3.43Å
419D93.8Very high94.3Very high51 Ų5144.4 Ų44.427%0.27325%0.249SC..THydrogen-bonded Turntrans-89.6-0.4177.967.9-51.5000113.3W417 N421 S429 K430 H431W417-D419 PolarHBondContact O-N 2.92Å; D419-N421 PolarHBondContact O-N 3.33Å; D419-S429 PolarHBondContact O-OG 2.74Å; D419-K430 VanDerWaalsContact OD2-CB 3.28Å; D419-K430 WeakPolarHBondContact OD2-CB 3.42Å; D419-K430 PolarHBondContact OD2-N 3.04Å; D419-K430 VanDerWaalsContact OD2-N 3.11Å; D419-H431 VanDerWaalsContact CG-ND1 3.27Å; D419-H431 IonicContact OD1-CE1 3.43Å; D419-H431 PolarHBondContact OD1-CE1 3.38Å; D419-H431 IonicContact OD1-CG 3.85Å; D419-H431 IonicContact OD1-ND1 2.75Å; D419-H431 PolarHBondContact OD1-ND1 3.1Å; D419-H431 IonicContact OD2-CE1 3.96Å; D419-H431 IonicContact OD2-ND1 3.1Å; D419-H431 PolarHBondContact OD2-ND1 3.32Å; D419-H431 VanDerWaalsContact OD2-ND1 3.1Å
420A95.8Very high94.1Very high0 Ų053 Ų530%029%0.286CS..  trans-60.8124.3-179.300000111.4A411 R412 W417 H431 V433A411-A420 HydrophobicContact CB-CB 3.6Å; R412-A420 HydrophobicContact CG-CB 4.33Å; R412-A420 PolarHBondContact NE-O 3.14Å; R412-A420 PolarHBondContact NH2-O 3.34Å; R412-A420 VanDerWaalsContact NH2-O 3.11Å; W417-A420 HydrophobicContact CB-CB 3.85Å; W417-A420 VanDerWaalsContact O-CB 3.23Å; W417-A420 WeakPolarHBondContact O-CB 3.41Å; W417-A420 PolarHBondContact O-N 3.1Å; A420-H431 WeakPolarHBondContact CA-O 3.39Å; A420-H431 HydrophobicContact CB-CB 3.99Å; A420-V433 HydrophobicContact CB-CG1 3.95Å; A420-V433 HydrophobicContact CB-CG2 4.35Å
421N94.8Very high93.9Very high17 Ų1755.1 Ų55.19%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-151.1172.9-176.4-146.4-18.5000112.4R412 D419 D426 S429 H431 V433R412-N421 PolarHBondContact NH2-ND2 2.93Å; R412-N421 VanDerWaalsContact NH2-ND2 3.2Å; R412-N421 PolarHBondContact NH2-OD1 2.98Å; D419-N421 PolarHBondContact O-N 3.33Å; N421-D426 HydrophobicContact CB-CB 3.98Å; N421-D426 WeakPolarHBondContact ND2-CB 3.42Å; N421-S429 PolarHBondContact N-OG 3.39Å; N421-H431 PolarHBondContact N-O 2.96Å; N421-V433 WeakPolarHBondContact O-CG2 3.4Å; N421-V433 PolarHBondContact O-N 3.02Å; N421-V433 VanDerWaalsContact O-N 3.1Å
422S94Very high93.8Very high1 Ų156.8 Ų56.81%0.00731%0.307CS..EExtended strand (participates in β ladder)trans-79.9140.1164.4178.40000110E424 F425 D426 V434S422-E424 PolarHBondContact O-N 3.13Å; S422-E424 VanDerWaalsContact O-N 3.16Å; S422-E424 WeakPolarHBondContact OG-CB 3.35Å; S422-E424 PolarHBondContact OG-N 3.39Å; S422-E424 VanDerWaalsContact OG-N 3.13Å; S422-F425 PolarHBondContact O-N 2.88Å; S422-D426 PolarHBondContact O-N 3.26Å; S422-V434 CarbonylContact C-O 3.55Å; S422-V434 WeakPolarHBondContact CA-O 3.44Å; S422-V434 WeakPolarHBondContact OG-CG1 3.38Å
423T91.8Very high93.7Very high37 Ų3754.8 Ų54.823%0.22730%0.299CS..THydrogen-bonded Turntrans-63-16170.560.40000112.7F425 P432 V434 I435 D436T423-F425 VanDerWaalsContact C-N 3.28Å; T423-F425 PolarHBondContact O-N 3Å; T423-P432 HydrophobicContact CG2-CB 3.81Å; T423-V434 PolarHBondContact N-O 2.86Å; T423-I435 HydrophobicContact CG2-CG2 4.06Å; T423-D436 PolarHBondContact OG1-N 3.27Å
424E89.5Confident93.7Very high55 Ų5551.2 Ų51.226%0.25728%0.281SS..THydrogen-bonded Turntrans-61.3-38.1169.2-169.4-175.6165.200111.8G375 S422 F483G375-E424 PolarHBondContact N-OE1 2.76Å; S422-E424 PolarHBondContact O-N 3.13Å; S422-E424 VanDerWaalsContact O-N 3.16Å; S422-E424 WeakPolarHBondContact OG-CB 3.35Å; S422-E424 PolarHBondContact OG-N 3.39Å; S422-E424 VanDerWaalsContact OG-N 3.13Å; E424-F483 HydrophobicContact CB-CD1 4.14Å; E424-F483 HydrophobicContact CB-CD2 4.21Å; E424-F483 HydrophobicContact CB-CE1 3.63Å; E424-F483 HydrophobicContact CB-CE2 3.7Å; E424-F483 HydrophobicContact CB-CG 4.43Å; E424-F483 HydrophobicContact CB-CZ 3.4Å; E424-F483 VanDerWaalsContact CB-CZ 3.4Å; E424-F483 HydrophobicContact CG-CD2 4.35Å; E424-F483 HydrophobicContact CG-CE1 4.35Å; E424-F483 HydrophobicContact CG-CE2 3.59Å; E424-F483 HydrophobicContact CG-CZ 3.61Å
425F90.1Very high93.5Very high31 Ų3150.6 Ų50.614%0.13628%0.275CS..THydrogen-bonded Turntrans-104.4-36.3-170.4-50.1-44.9000112.4V376 T379 L401 L405 S422 T423V376-F425 HydrophobicContact CB-CD1 4.46Å; V376-F425 HydrophobicContact CG2-CD1 4Å; T379-F425 HydrophobicContact CG2-CD1 4.25Å; T379-F425 HydrophobicContact CG2-CD2 4.3Å; T379-F425 HydrophobicContact CG2-CE1 3.87Å; T379-F425 HydrophobicContact CG2-CE2 3.96Å; T379-F425 HydrophobicContact CG2-CG 4.46Å; T379-F425 HydrophobicContact CG2-CZ 3.74Å; L401-F425 HydrophobicContact CD1-CE2 4.11Å; L401-F425 HydrophobicContact CD1-CZ 3.73Å; L405-F425 HydrophobicContact CD2-CE2 3.9Å; S422-F425 PolarHBondContact O-N 2.88Å; T423-F425 VanDerWaalsContact C-N 3.28Å; T423-F425 PolarHBondContact O-N 3Å
426D91.4Very high93.1Very high57 Ų5752.9 Ų52.931%0.30529%0.287SS..  trans-141.990.3179.6-1755.7000110.2N421 S422 E428 S429N421-D426 HydrophobicContact CB-CB 3.98Å; N421-D426 WeakPolarHBondContact ND2-CB 3.42Å; S422-D426 PolarHBondContact O-N 3.26Å; D426-E428 PolarHBondContact O-N 3.16Å; D426-E428 PolarHBondContact OD1-N 3.44Å; D426-S429 WeakPolarHBondContact O-CB 3.33Å; D426-S429 PolarHBondContact O-N 3.13Å
427P89.3Confident92.3Very high94 Ų9450.6 Ų50.661%0.6126%0.263SS*.THydrogen-bonded Turntrans-62.8-19.6178.4-22.433000114.4
428E91.6Very high90.5Very high167 Ų16753.8 Ų53.878%0.7829%0.289SS*.THydrogen-bonded Turntrans-95.23.7-175.3-60-64.213500112.7D426 K430D426-E428 PolarHBondContact O-N 3.16Å; D426-E428 PolarHBondContact OD1-N 3.44Å; E428-K430 PolarHBondContact O-N 3.12Å
429S92.1Very high88.7Confident13 Ų1353.9 Ų53.99%0.09128%0.281CS..  trans-57.2132.3177.1178.30000111.1D419 N421 D426 H431D419-S429 PolarHBondContact O-OG 2.74Å; N421-S429 PolarHBondContact N-OG 3.39Å; D426-S429 WeakPolarHBondContact O-CB 3.33Å; D426-S429 PolarHBondContact O-N 3.13Å; S429-H431 PolarHBondContact O-N 3.41Å; S429-H431 PolarHBondContact OG-N 2.7Å; S429-H431 PolarHBondContact OG-O 3.05Å
430K92.5Very high86.6Confident181 Ų18152.5 Ų52.579%0.78727%0.273SS*.SBendtrans-78.1-14.4176-57.1177179.21750112.2D419 E428 P432D419-K430 VanDerWaalsContact OD2-CB 3.28Å; D419-K430 WeakPolarHBondContact OD2-CB 3.42Å; D419-K430 PolarHBondContact OD2-N 3.04Å; D419-K430 VanDerWaalsContact OD2-N 3.11Å; E428-K430 PolarHBondContact O-N 3.12Å; K430-P432 VanDerWaalsContact C-CD 3.42Å; K430-P432 WeakPolarHBondContact O-CD 3.35Å
431H94.9Very high84Confident56 Ų5658 Ų5826%0.25930%0.302SS..SBendtrans-12371.3175.9-57.195.3000109.5W417 D419 A420 N421 S429 V433W417-H431 HydrophobicContact CB-CB 4.34Å; W417-H431 AromaticContact CD1-NE2 3.96Å; W417-H431 AromaticContact CD2-CD2 3.78Å; W417-H431 HydrophobicContact CE3-CB 4.27Å; W417-H431 AromaticContact CG-CD2 3.87Å; D419-H431 VanDerWaalsContact CG-ND1 3.27Å; D419-H431 IonicContact OD1-CE1 3.43Å; D419-H431 PolarHBondContact OD1-CE1 3.38Å; D419-H431 IonicContact OD1-CG 3.85Å; D419-H431 IonicContact OD1-ND1 2.75Å; D419-H431 PolarHBondContact OD1-ND1 3.1Å; D419-H431 IonicContact OD2-CE1 3.96Å; D419-H431 IonicContact OD2-ND1 3.1Å; D419-H431 PolarHBondContact OD2-ND1 3.32Å; D419-H431 VanDerWaalsContact OD2-ND1 3.1Å; A420-H431 WeakPolarHBondContact CA-O 3.39Å; A420-H431 HydrophobicContact CB-CB 3.99Å; N421-H431 PolarHBondContact N-O 2.96Å; S429-H431 PolarHBondContact O-N 3.41Å; S429-H431 PolarHBondContact OG-N 2.7Å; S429-H431 PolarHBondContact OG-O 3.05Å; H431-V433 VanDerWaalsContact C-N 3.34Å; H431-V433 PolarHBondContact O-N 3.11Å
432P95Very high81.2Confident35 Ų3563.5 Ų63.523%0.22734%0.339CS..EExtended strand (participates in β ladder)trans-72.689.5179.531.4-34.8000109.5T423 K430 V434 I435 N486T423-P432 HydrophobicContact CG2-CB 3.81Å; K430-P432 VanDerWaalsContact C-CD 3.42Å; K430-P432 WeakPolarHBondContact O-CD 3.35Å; P432-V434 VanDerWaalsContact C-N 3.33Å; P432-I435 HydrophobicContact CB-CG2 3.97Å; P432-N486 VanDerWaalsContact O-CB 3.24Å; P432-N486 WeakPolarHBondContact O-CB 2.88Å; P432-N486 PolarHBondContact O-ND2 2.69Å
433V96.1Very high78.6Confident0 Ų067.1 Ų67.10%038%0.376CS..EExtended strand (participates in β ladder)trans-77.8-21.6-177.5-68.30000112.7V407 C408 A411 W417 A420 N421 H431 V485 N486 L489 F493V407-V433 HydrophobicContact CG1-CB 4.14Å; V407-V433 HydrophobicContact CG1-CG2 4.43Å; C408-V433 HydrophobicContact CB-CG2 4.45Å; A411-V433 HydrophobicContact CB-CG1 3.91Å; W417-V433 HydrophobicContact CE3-CG1 4.36Å; W417-V433 HydrophobicContact CZ3-CG1 4.41Å; A420-V433 HydrophobicContact CB-CG1 3.95Å; A420-V433 HydrophobicContact CB-CG2 4.35Å; N421-V433 WeakPolarHBondContact O-CG2 3.4Å; N421-V433 PolarHBondContact O-N 3.02Å; N421-V433 VanDerWaalsContact O-N 3.1Å; H431-V433 VanDerWaalsContact C-N 3.34Å; H431-V433 PolarHBondContact O-N 3.11Å; V433-V485 WeakPolarHBondContact O-CA 3.4Å; V433-N486 PolarHBondContact O-N 2.99Å; V433-L489 HydrophobicContact CG1-CD1 3.93Å; V433-F493 HydrophobicContact CB-CZ 4.45Å; V433-F493 HydrophobicContact CG1-CE2 4.46Å; V433-F493 HydrophobicContact CG1-CZ 4.04Å
434V95.4Very high76.2Confident0 Ų071.7 Ų71.70%040%0.395CS..EExtended strand (participates in β ladder)trans-128.9127.6173.3173.20000107.5Q404 S422 T423 P432 F483 E484Q404-V434 HydrophobicContact CB-CG1 4.41Å; Q404-V434 HydrophobicContact CB-CG2 4.04Å; Q404-V434 HydrophobicContact CG-CG1 4.16Å; Q404-V434 HydrophobicContact CG-CG2 4.32Å; S422-V434 CarbonylContact C-O 3.55Å; S422-V434 WeakPolarHBondContact CA-O 3.44Å; S422-V434 WeakPolarHBondContact OG-CG1 3.38Å; T423-V434 PolarHBondContact N-O 2.86Å; P432-V434 VanDerWaalsContact C-N 3.33Å; V434-F483 HydrophobicContact CG1-CB 3.72Å; V434-E484 CarbonylContact C-O 3.02Å; V434-E484 VanDerWaalsContact CA-O 3.25Å; V434-E484 WeakPolarHBondContact CA-O 3.22Å; V434-E484 WeakPolarHBondContact CG1-O 3.46Å
435I92.7Very high73.7Confident39 Ų3978.3 Ų78.320%0.243%0.428CS..EExtended strand (participates in β ladder)trans-126158.6-171.857.1173.2000111.1T423 P432 F483 E484 N486T423-I435 HydrophobicContact CG2-CG2 4.06Å; P432-I435 HydrophobicContact CB-CG2 3.97Å; I435-F483 CarbonylContact O-C 3.59Å; I435-F483 VanDerWaalsContact O-CA 3.27Å; I435-F483 WeakPolarHBondContact O-CA 3.45Å; I435-E484 HydrophobicContact CG1-CG 4.23Å; I435-E484 PolarHBondContact N-O 3.07Å; I435-E484 PolarHBondContact O-N 3.02Å; I435-N486 HydrophobicContact CD1-CB 4.12Å; I435-N486 HydrophobicContact CG1-CB 4.2Å; I435-N486 HydrophobicContact CG2-CB 4.12Å
436D88Confident71.5Confident79 Ų7981 Ų8142%0.42246%0.464SS..EExtended strand (participates in β ladder)trans-71.4137.9174.4-166.92000109.8T423 H440 F483T423-D436 PolarHBondContact OG1-N 3.27Å; D436-H440 IonicContact OD1-CD2 3.53Å; D436-H440 IonicContact OD1-CE1 2.79Å; D436-H440 PolarHBondContact OD1-CE1 3.38Å; D436-H440 IonicContact OD1-CG 3.3Å; D436-H440 IonicContact OD1-ND1 3.14Å; D436-H440 PolarHBondContact OD1-ND1 2.86Å; D436-H440 IonicContact OD1-NE2 2.71Å; D436-F483 HydrophobicContact CB-CD1 4.18Å; D436-F483 HydrophobicContact CB-CE1 3.92Å
437M78.9Confident69.2Low3 Ų381.5 Ų81.52%0.01548%0.483CS..  trans-72.7137.8-174.9-68.2-18039.800111.8E439 H440 R450 R482 E484M437-E439 VanDerWaalsContact C-N 3.28Å; M437-E439 HydrophobicContact CE-CB 4.4Å; M437-E439 PolarHBondContact O-N 2.93Å; M437-H440 WeakPolarHBondContact O-CB 3.22Å; M437-H440 PolarHBondContact O-N 3.29Å; M437-H440 PolarHBondContact O-ND1 2.98Å; M437-R450 HydrophobicContact CE-CB 3.98Å; M437-R450 HydrophobicContact CE-CG 4.43Å; M437-R450 HydrophobicContact SD-CB 4.11Å; M437-R482 VanDerWaalsContact CG-O 3.26Å; M437-R482 WeakPolarHBondContact CG-O 3.39Å; M437-R482 PolarHBondContact N-O 3.48Å; M437-R482 VanDerWaalsContact N-O 3.09Å; M437-E484 HydrophobicContact CG-CB 3.94Å; M437-E484 HydrophobicContact CG-CG 3.76Å; M437-E484 WeakPolarHBondContact CG-OE2 3.33Å
438P58.3Low67.7Low109 Ų10978.4 Ų78.471%0.70846%0.463SS*.THydrogen-bonded Turntrans-67.6-17.6177.9-21.832.6000115.9H440P438-H440 PolarHBondContact O-N 2.8Å
439E56.7Low67Low106 Ų10672.4 Ų72.450%0.49544%0.435SS..THydrogen-bonded Turntrans-64.2-4.4174.2-74.1178.5-172.800113M437 N441 R509M437-E439 VanDerWaalsContact C-N 3.28Å; M437-E439 HydrophobicContact CE-CB 4.4Å; M437-E439 PolarHBondContact O-N 2.93Å; E439-N441 PolarHBondContact O-N 3.44Å; E439-R509 IonicContact OE1-CZ 3.71Å; E439-R509 IonicContact OE1-NH1 2.74Å; E439-R509 IonicContact OE1-NH2 3.7Å; E439-R509 PolarHBondContact OE1-NH2 3.02Å; E439-R509 IonicContact OE2-NH2 2.96Å
440H50.1Low66.7Low23 Ų2372.4 Ų72.411%0.10643%0.433CS..SBendtrans-73.8110.6166-65.573.6000109.6D436 M437 P438 P442 T448 R482D436-H440 IonicContact OD1-CD2 3.53Å; D436-H440 IonicContact OD1-CE1 2.79Å; D436-H440 PolarHBondContact OD1-CE1 3.38Å; D436-H440 IonicContact OD1-CG 3.3Å; D436-H440 IonicContact OD1-ND1 3.14Å; D436-H440 PolarHBondContact OD1-ND1 2.86Å; D436-H440 IonicContact OD1-NE2 2.71Å; M437-H440 WeakPolarHBondContact O-CB 3.22Å; M437-H440 PolarHBondContact O-N 3.29Å; M437-H440 PolarHBondContact O-ND1 2.98Å; P438-H440 PolarHBondContact O-N 2.8Å; H440-P442 WeakPolarHBondContact O-CD 3.44Å; H440-P442 VanDerWaalsContact O-N 3.1Å; H440-T448 HydrophobicContact CB-CG2 4.41Å; H440-T448 WeakPolarHBondContact CD2-CB 3.08Å; H440-T448 PolarHBondContact CD2-O 2.9Å; H440-T448 PolarHBondContact CD2-OG1 2.75Å; H440-T448 VanDerWaalsContact CD2-OG1 3.32Å; H440-T448 PolarHBondContact CE1-O 3.42Å; H440-T448 PolarHBondContact NE2-O 3.46Å; H440-T448 VanDerWaalsContact NE2-O 3.12Å; H440-R482 PolarHBondContact CE1-O 2.94Å; H440-R482 WeakPolarHBondContact NE2-CB 3.46Å
441N40.1Very low66.5Low115 Ų11565.5 Ų65.562%0.61541%0.405SS*.  trans-60.9110.4156.5-79.9-35.6000107.6E439 G443E439-N441 PolarHBondContact O-N 3.44Å; N441-G443 PolarHBondContact O-N 2.86Å
442P37.3Very low66.4Low133 Ų13362.9 Ų62.986%0.86439%0.393SS*.THydrogen-bonded Turntrans-65.8115.1-178.9-15.230.8000108.3H440H440-P442 WeakPolarHBondContact O-CD 3.44Å; H440-P442 VanDerWaalsContact O-N 3.1Å
443G39.4Very low66.4Low77 Ų7764.5 Ų64.579%0.79440%0.396SS*.THydrogen-bonded Turntrans123.3-9.9176.100000116.8N441N441-G443 PolarHBondContact O-N 2.86Å
444Q40Very low66.3Low132 Ų13269.6 Ų69.662%0.61742%0.415SS*.  trans-99103.2169.3-73-169.3-3.400110.8G446Q444-G446 PolarHBondContact O-N 3.31Å
445M38.6Very low66.3Low195 Ų19574.5 Ų74.596%0.96143%0.434SS*.THydrogen-bonded Turntrans-73.5122.6170.5-66-146.7-73.300109.8
446G44.1Very low66.6Low87 Ų8772.6 Ų72.690%0.89742%0.424SS*.THydrogen-bonded Turntrans107.15.5168.500000117.6Q444Q444-G446 PolarHBondContact O-N 3.31Å
447G43.2Very low67Low67 Ų6771 Ų7169%0.69142%0.415SS*.SBendtrans-138.812.6-177.900000116.6
448T57.1Low67.9Low30 Ų3071.6 Ų71.618%0.18442%0.417CS..  trans-110.49.2-165.548.60000114.8H440H440-T448 HydrophobicContact CB-CG2 4.41Å; H440-T448 WeakPolarHBondContact CD2-CB 3.08Å; H440-T448 PolarHBondContact CD2-O 2.9Å; H440-T448 PolarHBondContact CD2-OG1 2.75Å; H440-T448 VanDerWaalsContact CD2-OG1 3.32Å; H440-T448 PolarHBondContact CE1-O 3.42Å; H440-T448 PolarHBondContact NE2-O 3.46Å; H440-T448 VanDerWaalsContact NE2-O 3.12Å
449M76.9Confident69.6Low40 Ų4071.2 Ų71.220%0.19741%0.405CS..SBendtrans-84.5142.4-176-167.7-178.8-66.400112.3L451 R480 H481 R482M449-L451 HydrophobicContact CB-CD1 4.15Å; M449-L451 HydrophobicContact CB-CG 4Å; M449-L451 HydrophobicContact CG-CD2 4.29Å; M449-L451 HydrophobicContact CG-CG 4.07Å; M449-L451 PolarHBondContact O-N 3.27Å; M449-L451 VanDerWaalsContact O-N 3.09Å; M449-L451 HydrophobicContact SD-CD2 3.79Å; M449-L451 HydrophobicContact SD-CG 4.18Å; M449-R480 HydrophobicContact SD-CB 4.33Å; M449-R480 HydrophobicContact SD-CG 3.4Å; M449-R480 WeakPolarHBondContact SD-CG 3.42Å; M449-H481 WeakPolarHBondContact CG-O 3.26Å; M449-R482 HydrophobicContact CB-CG 4.33Å; M449-R482 HydrophobicContact CE-CG 4.35Å; M449-R482 HydrophobicContact CG-CG 4.03Å
450R84.9Confident71.3Confident13 Ų1368.6 Ų68.65%0.04940%0.396CS..EExtended strand (participates in β ladder)trans-70.7105.5167.1-172.4176.7177.998.6-17.1108.7M437 H479 R480 H481 E511M437-R450 HydrophobicContact CE-CB 3.98Å; M437-R450 HydrophobicContact CE-CG 4.43Å; M437-R450 HydrophobicContact SD-CB 4.11Å; R450-H479 HydrophobicContact CG-CB 4.22Å; R450-H479 CarbonylContact O-C 3.56Å; R450-R480 WeakPolarHBondContact O-CA 3.48Å; R450-R480 PolarHBondContact O-N 3.33Å; R450-H481 PolarHBondContact N-O 3.47Å; R450-H481 PolarHBondContact O-N 2.87Å; R450-E511 IonicContact CZ-OE1 3.41Å; R450-E511 IonicContact NE-OE1 3.2Å; R450-E511 IonicContact NH2-OE1 2.82Å; R450-E511 PolarHBondContact NH2-OE1 3.46Å
451L89.3Confident73.1Confident37 Ų3771.5 Ų71.519%0.19442%0.419CS..EExtended strand (participates in β ladder)trans-119.7155.8-174.8-74.8167000112.6E67 M449 R454 H479 R480E67-L451 HydrophobicContact CG-CD2 4.05Å; M449-L451 HydrophobicContact CB-CD1 4.15Å; M449-L451 HydrophobicContact CB-CG 4Å; M449-L451 HydrophobicContact CG-CD2 4.29Å; M449-L451 HydrophobicContact CG-CG 4.07Å; M449-L451 PolarHBondContact O-N 3.27Å; M449-L451 VanDerWaalsContact O-N 3.09Å; M449-L451 HydrophobicContact SD-CD2 3.79Å; M449-L451 HydrophobicContact SD-CG 4.18Å; L451-R454 PolarHBondContact O-NE 3.12Å; L451-H479 WeakPolarHBondContact CA-O 3.45Å; L451-R480 HydrophobicContact CD2-CB 4.11Å; L451-R480 HydrophobicContact CD2-CG 3.77Å
452G92.1Very high75.6Confident1 Ų171.8 Ų71.81%0.0142%0.42CS..EExtended strand (participates in β ladder)trans80.4-169.8168.700000114.1G65 R454 R478 H479G65-G452 VanDerWaalsContact CA-CA 3.46Å; G452-R454 PolarHBondContact O-N 3.25Å; G452-R478 WeakPolarHBondContact O-CA 3.38Å; G452-H479 PolarHBondContact N-O 2.98Å; G452-H479 VanDerWaalsContact N-O 3.16Å; G452-H479 PolarHBondContact O-N 2.9Å
453K94.9Very high78.3Confident68 Ų6865.5 Ų65.530%0.29638%0.379SS..EExtended strand (participates in β ladder)trans-71.4126.9-178.3-174172.168-174.70110.5D63 E476 E477D63-K453 HydrophobicContact CB-CB 4.19Å; D63-K453 WeakPolarHBondContact O-CB 3.17Å; D63-K453 PolarHBondContact O-N 2.92Å; D63-K453 WeakPolarHBondContact OD2-CD 3.34Å; D63-K453 WeakPolarHBondContact OD2-CE 3.11Å; D63-K453 IonicContact OD2-NZ 3.83Å; D63-K453 PolarHBondContact OD2-NZ 2.98Å; K453-E476 HydrophobicContact CD-CB 3.77Å; K453-E476 HydrophobicContact CG-CB 3.79Å; K453-E476 IonicContact NZ-OE2 3.39Å; K453-E477 CarbonylContact C-O 3.07Å; K453-E477 WeakPolarHBondContact CA-O 3.3Å
454R94.3Very high81Confident108 Ų10863.4 Ų63.441%0.40835%0.35SS..EExtended strand (participates in β ladder)trans-132.7159.1174.7-56.3-68.8177.5159.22.8109.7L451 G452 E476 E477L451-R454 PolarHBondContact O-NE 3.12Å; G452-R454 PolarHBondContact O-N 3.25Å; R454-E476 VanDerWaalsContact O-CA 3.31Å; R454-E476 WeakPolarHBondContact O-CA 3.41Å; R454-E477 PolarHBondContact N-O 3.49Å; R454-E477 PolarHBondContact O-N 2.93Å; R454-E477 VanDerWaalsContact O-N 3.12Å
455R96.5Very high83.7Confident102 Ų10257.1 Ų57.139%0.38532%0.321SS..EExtended strand (participates in β ladder)trans-96.1125.1-177.5-175.2170.8-175-177.8-0.3110.1Y474 V475 V505R455-Y474 HydrophobicContact CG-CD2 3.63Å; R455-Y474 HydrophobicContact CG-CE2 4.39Å; R455-Y474 HydrophobicContact CG-CG 4.08Å; R455-V475 WeakPolarHBondContact CA-O 3.36Å; R455-V505 HydrophobicContact CB-CG2 3.99Å; R455-V505 HydrophobicContact CG-CG2 4.33Å
456T97.1Very high86.4Confident0 Ų050.5 Ų50.50%029%0.285CS..EExtended strand (participates in β ladder)trans-107.1122.5172-47.70000109.1Y474 V475 Q503 E511 I512T456-Y474 CarbonylContact O-C 3.45Å; T456-Y474 WeakPolarHBondContact O-CA 3.34Å; T456-Y474 VanDerWaalsContact O-CB 3.27Å; T456-Y474 WeakPolarHBondContact O-CB 3.38Å; T456-V475 HydrophobicContact CG2-CG2 4.48Å; T456-V475 PolarHBondContact N-O 3.32Å; T456-V475 PolarHBondContact O-N 2.91Å; T456-Q503 CarbonylContact C-O 3.56Å; T456-Q503 WeakPolarHBondContact CA-O 3.49Å; T456-E511 WeakPolarHBondContact CA-OE2 3.39Å; T456-E511 WeakPolarHBondContact CB-OE2 3.29Å; T456-E511 HydrophobicContact CG2-CB 3.72Å; T456-E511 VanDerWaalsContact CG2-OE2 3.22Å; T456-E511 WeakPolarHBondContact CG2-OE2 3.45Å; T456-E511 PolarHBondContact OG1-OE2 3.44Å; T456-I512 HydrophobicContact CG2-CD1 3.91Å; T456-I512 HydrophobicContact CG2-CG1 4.07Å
457I97.8Very high88.8Confident44 Ų4449.8 Ų49.823%0.22626%0.257CS..EExtended strand (participates in β ladder)trans-96.8128.3178.8-54.5-179.4000109.5G502 Q503 V505I457-G502 WeakPolarHBondContact O-CA 3.17Å; I457-Q503 PolarHBondContact N-O 3.22Å; I457-Q503 PolarHBondContact O-N 3.27Å; I457-V505 HydrophobicContact CD1-CB 4.46Å; I457-V505 HydrophobicContact CD1-CG2 4.42Å
458F97.3Very high91.3Very high16 Ų1647.3 Ų47.37%0.0723%0.228CC..EExtended strand (participates in β ladder)trans-74.4130.3172.7-71.9-72.6000110.8M465 R466 Y469 A472 E473 V475 V501 I512F458-M465 HydrophobicContact CE1-CB 3.99Å; F458-M465 HydrophobicContact CZ-CB 4.36Å; F458-R466 HydrophobicContact CD1-CB 3.89Å; F458-R466 HydrophobicContact CD2-CB 4.17Å; F458-R466 HydrophobicContact CD2-CG 4.07Å; F458-R466 HydrophobicContact CE1-CB 4Å; F458-R466 HydrophobicContact CE2-CB 4.25Å; F458-R466 HydrophobicContact CE2-CG 4.39Å; F458-R466 HydrophobicContact CG-CB 3.99Å; F458-R466 HydrophobicContact CG-CG 4.14Å; F458-R466 HydrophobicContact CZ-CB 4.19Å; F458-Y469 HydrophobicContact CE2-CD2 4.39Å; F458-Y469 AromaticContact CZ-CD2 3.82Å; F458-Y469 HydrophobicContact CZ-CD2 3.82Å; F458-Y469 HydrophobicContact CZ-CE2 4.46Å; F458-A472 VanDerWaalsContact CD2-O 3.31Å; F458-A472 WeakPolarHBondContact CD2-O 3.49Å; F458-E473 PolarHBondContact N-O 3.13Å; F458-V475 HydrophobicContact CE2-CG1 3.72Å; F458-V475 HydrophobicContact CE2-CG2 4.49Å; F458-V475 HydrophobicContact CZ-CG1 4.18Å; F458-V501 CarbonylContact C-O 3.37Å; F458-V501 WeakPolarHBondContact CA-O 3.09Å; F458-I512 HydrophobicContact CD1-CD1 4.36Å; F458-I512 HydrophobicContact CE1-CD1 3.55Å; F458-I512 HydrophobicContact CZ-CD1 3.95Å
459K93.6Very high93.1Very high102 Ų10247.7 Ų47.744%0.44323%0.226SC..  trans-95.2-14.4-179.5-59-60.9-179.6173.20113.7V501 Q503K459-V501 PolarHBondContact N-O 2.95Å; K459-Q503 HydrophobicContact CG-CB 4.39Å; K459-Q503 HydrophobicContact CG-CG 4.19Å
460T92.2Very high93.8Very high51 Ų5148.4 Ų48.431%0.31324%0.244SC..  trans-131.4150.5179.8-178.50000111.8N462 R466 V501T460-N462 PolarHBondContact OG1-N 3.04Å; T460-N462 VanDerWaalsContact OG1-N 3.13Å; T460-R466 WeakPolarHBondContact O-CD 3.46Å; T460-V501 HydrophobicContact CG2-CB 3.79Å; T460-V501 HydrophobicContact CG2-CG1 3.67Å
461S89.1Confident94.2Very high84 Ų8452.3 Ų52.359%0.58727%0.266SS*.SBendtrans-82.4-24.8168.954.80000112.8S463S461-S463 VanDerWaalsContact C-N 3.3Å; S461-S463 PolarHBondContact O-N 3.48Å; S461-S463 VanDerWaalsContact O-N 3.11Å
462N91.5Very high94.3Very high120 Ų12052.2 Ų52.264%0.64227%0.27SS*.SBendtrans-87.872176-168.934.6000110.1T460T460-N462 PolarHBondContact OG1-N 3.04Å; T460-N462 VanDerWaalsContact OG1-N 3.13Å
463S94.9Very high94.5Very high1 Ų158.9 Ų58.91%0.00730%0.301CS..  trans-134.7134.8175.6155.80000110S461 M465 R466 K467 E514S461-S463 VanDerWaalsContact C-N 3.3Å; S461-S463 PolarHBondContact O-N 3.48Å; S461-S463 VanDerWaalsContact O-N 3.11Å; S463-M465 VanDerWaalsContact C-N 3.31Å; S463-M465 PolarHBondContact OG-N 3.04Å; S463-R466 PolarHBondContact OG-N 3Å; S463-K467 WeakPolarHBondContact O-CG 3Å; S463-K467 PolarHBondContact O-N 2.89Å; S463-E514 WeakPolarHBondContact CA-OE2 3.48Å; S463-E514 WeakPolarHBondContact CB-OE1 3.43Å; S463-E514 PolarHBondContact OG-OE1 3.27Å
464I95.3Very high94.5Very high34 Ų3460.2 Ų60.217%0.17431%0.305CS..Hα-helixtrans-65.1-43.2173.4-64.7175000109R466 K467 L468 E514 Y520 L552 L556I464-R466 PolarHBondContact O-N 2.86Å; I464-K467 PolarHBondContact O-N 3.29Å; I464-L468 HydrophobicContact CG2-CD1 3.91Å; I464-L468 HydrophobicContact CG2-CG 4.29Å; I464-L468 WeakPolarHBondContact O-CG 3.19Å; I464-L468 PolarHBondContact O-N 3.19Å; I464-E514 PolarHBondContact N-OE1 3.26Å; I464-E514 VanDerWaalsContact N-OE1 3.15Å; I464-E514 PolarHBondContact N-OE2 3.05Å; I464-Y520 HydrophobicContact CG2-CD2 4.18Å; I464-Y520 HydrophobicContact CG2-CE2 4.09Å; I464-L552 HydrophobicContact CG2-CD2 4.31Å; I464-L556 HydrophobicContact CG2-CD1 4.5Å
465M96.3Very high94.7Very high0 Ų055.5 Ų55.50%029%0.288CS..Hα-helixtrans-61-46.2179.4-70.6-49.5-52.400112.2F458 S463 K467 L468 Y469 I512 E514 Y520 V522 P540F458-M465 HydrophobicContact CE1-CB 3.99Å; F458-M465 HydrophobicContact CZ-CB 4.36Å; S463-M465 VanDerWaalsContact C-N 3.31Å; S463-M465 PolarHBondContact OG-N 3.04Å; M465-K467 VanDerWaalsContact C-N 3.3Å; M465-K467 PolarHBondContact O-N 3.02Å; M465-L468 PolarHBondContact O-N 3.41Å; M465-L468 VanDerWaalsContact O-N 3.12Å; M465-L468 HydrophobicContact SD-CD1 4.06Å; M465-Y469 HydrophobicContact CE-CD2 3.92Å; M465-Y469 HydrophobicContact CE-CE2 3.41Å; M465-Y469 VanDerWaalsContact CE-CE2 3.41Å; M465-Y469 VanDerWaalsContact O-CD2 3.24Å; M465-Y469 WeakPolarHBondContact O-CD2 3.43Å; M465-Y469 PolarHBondContact O-N 3.4Å; M465-I512 HydrophobicContact CB-CG2 4.27Å; M465-I512 HydrophobicContact CG-CG2 3.93Å; M465-E514 VanDerWaalsContact CB-OE1 3.28Å; M465-E514 WeakPolarHBondContact CB-OE1 3.39Å; M465-E514 WeakPolarHBondContact CG-OE1 3.4Å; M465-E514 PolarHBondContact N-OE1 3.39Å; M465-Y520 HydrophobicContact SD-CE2 4.5Å; M465-V522 HydrophobicContact CG-CG1 3.67Å; M465-V522 HydrophobicContact CG-CG2 4.07Å; M465-V522 HydrophobicContact SD-CB 4.35Å; M465-V522 HydrophobicContact SD-CG1 3.62Å; M465-V522 HydrophobicContact SD-CG2 3.97Å; M465-P540 HydrophobicContact CE-CB 3.86Å; M465-P540 HydrophobicContact CE-CG 3.48Å; M465-P540 VanDerWaalsContact CE-CG 3.48Å; M465-P540 HydrophobicContact SD-CB 4.47Å
466R95.9Very high94.6Very high55 Ų5554.9 Ų54.921%0.20829%0.289CS..Hα-helixtrans-56.5-44.4176.8-178.5173176.6-167.6-5.7112.1F458 T460 S463 I464 Y469 G470 D471 A472F458-R466 HydrophobicContact CD1-CB 3.89Å; F458-R466 HydrophobicContact CD2-CB 4.17Å; F458-R466 HydrophobicContact CD2-CG 4.07Å; F458-R466 HydrophobicContact CE1-CB 4Å; F458-R466 HydrophobicContact CE2-CB 4.25Å; F458-R466 HydrophobicContact CE2-CG 4.39Å; F458-R466 HydrophobicContact CG-CB 3.99Å; F458-R466 HydrophobicContact CG-CG 4.14Å; F458-R466 HydrophobicContact CZ-CB 4.19Å; T460-R466 WeakPolarHBondContact O-CD 3.46Å; S463-R466 PolarHBondContact OG-N 3Å; I464-R466 PolarHBondContact O-N 2.86Å; R466-Y469 CarbonylContact O-C 3.59Å; R466-Y469 PolarHBondContact O-N 3.31Å; R466-G470 PolarHBondContact O-N 3.36Å; R466-D471 PolarHBondContact NE-O 3.33Å; R466-D471 PolarHBondContact NH2-O 2.67Å; R466-D471 WeakPolarHBondContact O-CA 3.27Å; R466-D471 PolarHBondContact O-N 2.82Å; R466-A472 PolarHBondContact NE-O 3.49Å
467K95.1Very high94.6Very high72 Ų7255.3 Ų55.331%0.31329%0.291SS..Hα-helixtrans-63.5-42.8176.7-68.4171.9-176.4170.80111.8S463 I464 M465 Y469 G470 L556 C560S463-K467 WeakPolarHBondContact O-CG 3Å; S463-K467 PolarHBondContact O-N 2.89Å; I464-K467 PolarHBondContact O-N 3.29Å; M465-K467 VanDerWaalsContact C-N 3.3Å; M465-K467 PolarHBondContact O-N 3.02Å; K467-Y469 VanDerWaalsContact C-N 3.25Å; K467-Y469 PolarHBondContact O-N 3.32Å; K467-G470 PolarHBondContact O-N 2.91Å; K467-L556 HydrophobicContact CB-CD2 3.82Å; K467-L556 HydrophobicContact CD-CD2 4.4Å; K467-C560 PolarHBondContact O-SG 3.48Å
468L94.9Very high94.5Very high15 Ų1553.2 Ų53.28%0.07928%0.281CS..Hα-helixtrans-63.5-31.8177.3-70.3173.8000112.5I464 M465 G470 Y520 P539 L552 Y555 L556I464-L468 HydrophobicContact CG2-CD1 3.91Å; I464-L468 HydrophobicContact CG2-CG 4.29Å; I464-L468 WeakPolarHBondContact O-CG 3.19Å; I464-L468 PolarHBondContact O-N 3.19Å; M465-L468 PolarHBondContact O-N 3.41Å; M465-L468 VanDerWaalsContact O-N 3.12Å; M465-L468 HydrophobicContact SD-CD1 4.06Å; L468-G470 PolarHBondContact O-N 2.94Å; L468-Y520 HydrophobicContact CD1-CE2 4.16Å; L468-P539 HydrophobicContact CB-CB 4.04Å; L468-L552 HydrophobicContact CD2-CD1 4.17Å; L468-Y555 HydrophobicContact CD2-CD1 4.13Å; L468-Y555 HydrophobicContact CD2-CE1 3.87Å; L468-L556 HydrophobicContact CD2-CD2 4.15Å; L468-L556 HydrophobicContact CG-CD2 4.46Å
469Y94.4Very high94.4Very high39 Ų3952.5 Ų52.515%0.15328%0.278CS..THydrogen-bonded Turntrans-82.39171.5-77.8-75.6000113.9F458 M465 R466 K467 V475 E477 Y526 P539 P540F458-Y469 HydrophobicContact CE2-CD2 4.39Å; F458-Y469 AromaticContact CZ-CD2 3.82Å; F458-Y469 HydrophobicContact CZ-CD2 3.82Å; F458-Y469 HydrophobicContact CZ-CE2 4.46Å; M465-Y469 HydrophobicContact CE-CD2 3.92Å; M465-Y469 HydrophobicContact CE-CE2 3.41Å; M465-Y469 VanDerWaalsContact CE-CE2 3.41Å; M465-Y469 VanDerWaalsContact O-CD2 3.24Å; M465-Y469 WeakPolarHBondContact O-CD2 3.43Å; M465-Y469 PolarHBondContact O-N 3.4Å; R466-Y469 CarbonylContact O-C 3.59Å; R466-Y469 PolarHBondContact O-N 3.31Å; K467-Y469 VanDerWaalsContact C-N 3.25Å; K467-Y469 PolarHBondContact O-N 3.32Å; Y469-V475 HydrophobicContact CD1-CB 4.38Å; Y469-V475 HydrophobicContact CD1-CG1 3.4Å; Y469-V475 HydrophobicContact CD2-CG1 3.8Å; Y469-V475 HydrophobicContact CE1-CB 4.29Å; Y469-V475 HydrophobicContact CE1-CG1 3.75Å; Y469-V475 HydrophobicContact CE2-CG1 4.12Å; Y469-V475 HydrophobicContact CG-CG1 3.43Å; Y469-V475 VanDerWaalsContact CG-CG1 3.43Å; Y469-E477 WeakPolarHBondContact CE1-OE1 3.18Å; Y469-E477 PolarHBondContact OH-OE1 3Å; Y469-Y526 WeakPolarHBondContact CE2-OH 3.35Å; Y469-Y526 PolarHBondContact OH-OH 2.73Å; Y469-P539 HydrophobicContact CD1-CB 4.05Å; Y469-P539 HydrophobicContact CD1-CG 3.62Å; Y469-P539 HydrophobicContact CD2-CB 4.24Å; Y469-P539 HydrophobicContact CE1-CB 3.96Å; Y469-P539 HydrophobicContact CE1-CG 3.53Å; Y469-P539 HydrophobicContact CE2-CB 4.15Å; Y469-P539 HydrophobicContact CG-CB 4.19Å; Y469-P539 HydrophobicContact CG-CG 4.22Å; Y469-P540 HydrophobicContact CE2-CG 4.44Å
470G92.5Very high94.3Very high55 Ų5550.5 Ų50.557%0.56727%0.267SS*.THydrogen-bonded Turntrans77.435.8175.400000114.1R466 K467 L468 A472R466-G470 PolarHBondContact O-N 3.36Å; K467-G470 PolarHBondContact O-N 2.91Å; L468-G470 PolarHBondContact O-N 2.94Å; G470-A472 PolarHBondContact O-N 2.95Å; G470-A472 VanDerWaalsContact O-N 3.16Å
471D92.9Very high94.3Very high95 Ų9548.6 Ų48.651%0.50826%0.255SS..SBendtrans62.916.3178.6-64.9-47.7000115.6R466R466-D471 PolarHBondContact NE-O 3.33Å; R466-D471 PolarHBondContact NH2-O 2.67Å; R466-D471 WeakPolarHBondContact O-CA 3.27Å; R466-D471 PolarHBondContact O-N 2.82Å
472A92.8Very high94.2Very high34 Ų3450.7 Ų50.728%0.28125%0.25SC..  trans-54.6146175.200000112.1F458 R466 G470 Y474F458-A472 VanDerWaalsContact CD2-O 3.31Å; F458-A472 WeakPolarHBondContact CD2-O 3.49Å; R466-A472 PolarHBondContact NE-O 3.49Å; G470-A472 PolarHBondContact O-N 2.95Å; G470-A472 VanDerWaalsContact O-N 3.16Å; A472-Y474 VanDerWaalsContact C-N 3.28Å; A472-Y474 WeakPolarHBondContact CB-O 3.43Å
473E94.5Very high94.2Very high142 Ų14246.5 Ų46.566%0.66423%0.226SC*.SBendtrans-72.6-26.3175.5-64.3-175.616200112.2F458F458-E473 PolarHBondContact N-O 3.13Å
474Y96.6Very high94.1Very high95 Ų9547.1 Ų47.137%0.37323%0.229SC..EExtended strand (participates in β ladder)trans-150.6162.5-17969.4-83.9000111R455 T456 A472 E476R455-Y474 HydrophobicContact CG-CD2 3.63Å; R455-Y474 HydrophobicContact CG-CE2 4.39Å; R455-Y474 HydrophobicContact CG-CG 4.08Å; T456-Y474 CarbonylContact O-C 3.45Å; T456-Y474 WeakPolarHBondContact O-CA 3.34Å; T456-Y474 VanDerWaalsContact O-CB 3.27Å; T456-Y474 WeakPolarHBondContact O-CB 3.38Å; A472-Y474 VanDerWaalsContact C-N 3.28Å; A472-Y474 WeakPolarHBondContact CB-O 3.43Å; Y474-E476 HydrophobicContact CD2-CG 4.2Å; Y474-E476 HydrophobicContact CE2-CG 4.03Å
475V96.6Very high94.1Very high10 Ų1045.5 Ų45.56%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-127.5158.1171.5-65.60000110R455 T456 F458 Y469 E477R455-V475 WeakPolarHBondContact CA-O 3.36Å; T456-V475 HydrophobicContact CG2-CG2 4.48Å; T456-V475 PolarHBondContact N-O 3.32Å; T456-V475 PolarHBondContact O-N 2.91Å; F458-V475 HydrophobicContact CE2-CG1 3.72Å; F458-V475 HydrophobicContact CE2-CG2 4.49Å; F458-V475 HydrophobicContact CZ-CG1 4.18Å; Y469-V475 HydrophobicContact CD1-CB 4.38Å; Y469-V475 HydrophobicContact CD1-CG1 3.4Å; Y469-V475 HydrophobicContact CD2-CG1 3.8Å; Y469-V475 HydrophobicContact CE1-CB 4.29Å; Y469-V475 HydrophobicContact CE1-CG1 3.75Å; Y469-V475 HydrophobicContact CE2-CG1 4.12Å; Y469-V475 HydrophobicContact CG-CG1 3.43Å; Y469-V475 VanDerWaalsContact CG-CG1 3.43Å; V475-E477 HydrophobicContact CG2-CG 4.42Å
476E95.9Very high94Very high88 Ų8846.2 Ų46.241%0.41122%0.224SC..EExtended strand (participates in β ladder)trans-122.7113.2174.4-59.3-169.4128.800109.7K453 R454 Y474K453-E476 HydrophobicContact CD-CB 3.77Å; K453-E476 HydrophobicContact CG-CB 3.79Å; K453-E476 IonicContact NZ-OE2 3.39Å; R454-E476 VanDerWaalsContact O-CA 3.31Å; R454-E476 WeakPolarHBondContact O-CA 3.41Å; Y474-E476 HydrophobicContact CD2-CG 4.2Å; Y474-E476 HydrophobicContact CE2-CG 4.03Å
477E96.8Very high93.8Very high9 Ų946 Ų464%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-134.4164-174.2-66.4-77.2-169.200110.2K453 R454 Y469 V475 H479 Y526 T531K453-E477 CarbonylContact C-O 3.07Å; K453-E477 WeakPolarHBondContact CA-O 3.3Å; R454-E477 PolarHBondContact N-O 3.49Å; R454-E477 PolarHBondContact O-N 2.93Å; R454-E477 VanDerWaalsContact O-N 3.12Å; Y469-E477 WeakPolarHBondContact CE1-OE1 3.18Å; Y469-E477 PolarHBondContact OH-OE1 3Å; V475-E477 HydrophobicContact CG2-CG 4.42Å; E477-H479 PolarHBondContact O-CD2 3.1Å; E477-Y526 HydrophobicContact CB-CD1 4.03Å; E477-Y526 HydrophobicContact CB-CD2 3.36Å; E477-Y526 HydrophobicContact CB-CE2 3.91Å; E477-Y526 HydrophobicContact CB-CG 3.43Å; E477-Y526 VanDerWaalsContact CB-CG 3.43Å; E477-Y526 HydrophobicContact CG-CD1 4.4Å; E477-Y526 HydrophobicContact CG-CD2 3.56Å; E477-Y526 HydrophobicContact CG-CE1 4.39Å; E477-Y526 HydrophobicContact CG-CE2 3.53Å; E477-Y526 HydrophobicContact CG-CG 4.01Å; E477-T531 WeakPolarHBondContact OE2-CB 3.25Å; E477-T531 WeakPolarHBondContact OE2-CG2 3.36Å; E477-T531 PolarHBondContact OE2-OG1 3.48Å
478R96.2Very high93.7Very high1 Ų150.4 Ų50.40%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-93.4133.6-173.2-60.3-176-174.8158.60.8111.4F60 V61 D63 E76 G452 Y526 H527 F530 T531F60-R478 VanDerWaalsContact CE1-NH1 3.34Å; V61-R478 HydrophobicContact CG1-CB 4.41Å; V61-R478 WeakPolarHBondContact O-CD 3.41Å; V61-R478 PolarHBondContact O-NE 3.14Å; V61-R478 PolarHBondContact O-NH1 3Å; D63-R478 IonicContact OD1-CZ 3.89Å; D63-R478 IonicContact OD1-NE 3.88Å; D63-R478 PolarHBondContact OD1-NE 3.37Å; D63-R478 IonicContact OD1-NH2 3.13Å; D63-R478 PolarHBondContact OD1-NH2 3.28Å; E76-R478 VanDerWaalsContact CD-NH2 3.31Å; E76-R478 IonicContact OE1-CZ 2.88Å; E76-R478 IonicContact OE1-NH1 3.84Å; E76-R478 IonicContact OE1-NH2 3.57Å; E76-R478 PolarHBondContact OE1-NH2 2.86Å; E76-R478 IonicContact OE2-CZ 3.87Å; E76-R478 VanDerWaalsContact OE2-CZ 3.24Å; E76-R478 IonicContact OE2-NH1 3.59Å; E76-R478 PolarHBondContact OE2-NH1 3.45Å; E76-R478 IonicContact OE2-NH2 3.93Å; E76-R478 PolarHBondContact OE2-NH2 3.06Å; G452-R478 WeakPolarHBondContact O-CA 3.38Å; R478-Y526 WeakPolarHBondContact O-CA 3.42Å; R478-Y526 WeakPolarHBondContact O-CB 3.32Å; R478-H527 PolarHBondContact O-N 3.39Å; R478-F530 HydrophobicContact CB-CD2 4.14Å; R478-T531 HydrophobicContact CG-CG2 4.48Å
479H94.4Very high93.5Very high0 Ų051 Ų510%026%0.255CS..EExtended strand (participates in β ladder)trans-110.4152.2178.6-65.1-101.9000111.8R450 L451 G452 E477 H481 E511R450-H479 HydrophobicContact CG-CB 4.22Å; R450-H479 CarbonylContact O-C 3.56Å; L451-H479 WeakPolarHBondContact CA-O 3.45Å; G452-H479 PolarHBondContact N-O 2.98Å; G452-H479 VanDerWaalsContact N-O 3.16Å; G452-H479 PolarHBondContact O-N 2.9Å; E477-H479 PolarHBondContact O-CD2 3.1Å; H479-H481 AromaticContact ND1-CD2 3.74Å; H479-H481 AromaticContact ND1-NE2 3.34Å; H479-H481 PolarHBondContact ND1-NE2 3.45Å; H479-E511 IonicContact CE1-OE1 3.56Å; H479-E511 PolarHBondContact CE1-OE1 3.01Å; H479-E511 IonicContact NE2-OE1 3.13Å
480R92.3Very high93.4Very high60 Ų6051.2 Ų51.223%0.22626%0.256CS..EExtended strand (participates in β ladder)trans-156.976.5172.1-172.6-178.5-172.3-98.8-2.7110.2G49 V61 E67 M449 R450 L451G49-R480 PolarHBondContact O-NH2 3.4Å; V61-R480 HydrophobicContact CG2-CB 3.95Å; V61-R480 HydrophobicContact CG2-CG 4.15Å; E67-R480 IonicContact OE1-CZ 3.24Å; E67-R480 IonicContact OE1-NE 2.82Å; E67-R480 PolarHBondContact OE1-NE 3.41Å; E67-R480 IonicContact OE1-NH2 3.78Å; E67-R480 PolarHBondContact OE1-NH2 3.08Å; M449-R480 HydrophobicContact SD-CB 4.33Å; M449-R480 HydrophobicContact SD-CG 3.4Å; M449-R480 WeakPolarHBondContact SD-CG 3.42Å; R450-R480 WeakPolarHBondContact O-CA 3.48Å; R450-R480 PolarHBondContact O-N 3.33Å; L451-R480 HydrophobicContact CD2-CB 4.11Å; L451-R480 HydrophobicContact CD2-CG 3.77Å
481H90.5Very high93.5Very high12 Ų1251.4 Ų51.46%0.05625%0.249CC..EExtended strand (participates in β ladder)trans-156.5169.2-176.668.582.7000112.3M449 R450 H479 F483 Q525M449-H481 WeakPolarHBondContact CG-O 3.26Å; R450-H481 PolarHBondContact N-O 3.47Å; R450-H481 PolarHBondContact O-N 2.87Å; H479-H481 AromaticContact ND1-CD2 3.74Å; H479-H481 AromaticContact ND1-NE2 3.34Å; H479-H481 PolarHBondContact ND1-NE2 3.45Å; H481-F483 PolarHBondContact ND1-O 3.32Å; H481-Q525 PolarHBondContact CD2-NE2 3.09Å; H481-Q525 PolarHBondContact CE1-NE2 3.23Å; H481-Q525 PolarHBondContact ND1-NE2 3.41Å; H481-Q525 VanDerWaalsContact ND1-NE2 3.12Å; H481-Q525 VanDerWaalsContact NE2-CG 3.35Å; H481-Q525 WeakPolarHBondContact NE2-CG 3.45Å
482R88.4Confident93.6Very high128 Ų12851 Ų5148%0.48324%0.244SC..SBendtrans-123.9-15.1-177.2-61.6-177.7-155.9166.26.1113.8M437 H440 M449M437-R482 VanDerWaalsContact CG-O 3.26Å; M437-R482 WeakPolarHBondContact CG-O 3.39Å; M437-R482 PolarHBondContact N-O 3.48Å; M437-R482 VanDerWaalsContact N-O 3.09Å; H440-R482 PolarHBondContact CE1-O 2.94Å; H440-R482 WeakPolarHBondContact NE2-CB 3.46Å; M449-R482 HydrophobicContact CB-CG 4.33Å; M449-R482 HydrophobicContact CE-CG 4.35Å; M449-R482 HydrophobicContact CG-CG 4.03Å
483F91Very high93.7Very high31 Ų3149.4 Ų49.414%0.13623%0.231CC..EExtended strand (participates in β ladder)trans-118.6143.7-171-65.8-90.2000110.1Q404 E424 V434 I435 D436 H481 Q525Q404-F483 PolarHBondContact NE2-O 3.39Å; E424-F483 HydrophobicContact CB-CD1 4.14Å; E424-F483 HydrophobicContact CB-CD2 4.21Å; E424-F483 HydrophobicContact CB-CE1 3.63Å; E424-F483 HydrophobicContact CB-CE2 3.7Å; E424-F483 HydrophobicContact CB-CG 4.43Å; E424-F483 HydrophobicContact CB-CZ 3.4Å; E424-F483 VanDerWaalsContact CB-CZ 3.4Å; E424-F483 HydrophobicContact CG-CD2 4.35Å; E424-F483 HydrophobicContact CG-CE1 4.35Å; E424-F483 HydrophobicContact CG-CE2 3.59Å; E424-F483 HydrophobicContact CG-CZ 3.61Å; V434-F483 HydrophobicContact CG1-CB 3.72Å; I435-F483 CarbonylContact O-C 3.59Å; I435-F483 VanDerWaalsContact O-CA 3.27Å; I435-F483 WeakPolarHBondContact O-CA 3.45Å; D436-F483 HydrophobicContact CB-CD1 4.18Å; D436-F483 HydrophobicContact CB-CE1 3.92Å; H481-F483 PolarHBondContact ND1-O 3.32Å; F483-Q525 PolarHBondContact O-NE2 3.29Å; F483-Q525 VanDerWaalsContact O-NE2 3.13Å
484E92.8Very high93.7Very high14 Ų1445.6 Ų45.67%0.06521%0.213CC..EExtended strand (participates in β ladder)trans-129.6160.7-18066.9-171.1-171.600111.3V434 I435 M437 R509V434-E484 CarbonylContact C-O 3.02Å; V434-E484 VanDerWaalsContact CA-O 3.25Å; V434-E484 WeakPolarHBondContact CA-O 3.22Å; V434-E484 WeakPolarHBondContact CG1-O 3.46Å; I435-E484 HydrophobicContact CG1-CG 4.23Å; I435-E484 PolarHBondContact N-O 3.07Å; I435-E484 PolarHBondContact O-N 3.02Å; M437-E484 HydrophobicContact CG-CB 3.94Å; M437-E484 HydrophobicContact CG-CG 3.76Å; M437-E484 WeakPolarHBondContact CG-OE2 3.33Å; E484-R509 WeakPolarHBondContact OE2-CD 3.42Å; E484-R509 WeakPolarHBondContact OE2-CG 3.34Å; E484-R509 IonicContact OE2-NE 3.41Å; E484-R509 PolarHBondContact OE2-NE 3.23Å
485V95.1Very high93.6Very high0 Ų047.5 Ų47.50%023%0.23CC..EExtended strand (participates in β ladder)trans-67.8133.4173.3178.20000108.7M403 V407 V433 P487 F500 M510M403-V485 HydrophobicContact CE-CG2 3.93Å; V407-V485 HydrophobicContact CG1-CG1 4.22Å; V407-V485 HydrophobicContact CG2-CG2 3.91Å; V433-V485 WeakPolarHBondContact O-CA 3.4Å; V485-P487 WeakPolarHBondContact O-CD 3.38Å; V485-P487 VanDerWaalsContact O-N 3.14Å; V485-F500 HydrophobicContact CG1-CE1 3.98Å; V485-F500 HydrophobicContact CG1-CZ 3.93Å; V485-F500 HydrophobicContact CG2-CE1 4.37Å; V485-M510 HydrophobicContact CB-CB 4.27Å; V485-M510 HydrophobicContact CB-CG 4.38Å
486N94.5Very high93.5Very high15 Ų1553.3 Ų53.38%0.0825%0.254CS..  trans-62.3112.9178.5-175.6-12.5000110.6P432 V433 I435 E488 L489P432-N486 VanDerWaalsContact O-CB 3.24Å; P432-N486 WeakPolarHBondContact O-CB 2.88Å; P432-N486 PolarHBondContact O-ND2 2.69Å; V433-N486 PolarHBondContact O-N 2.99Å; I435-N486 HydrophobicContact CD1-CB 4.12Å; I435-N486 HydrophobicContact CG1-CB 4.2Å; I435-N486 HydrophobicContact CG2-CB 4.12Å; N486-E488 PolarHBondContact O-N 3.45Å; N486-E488 WeakPolarHBondContact OD1-CB 3.33Å; N486-E488 PolarHBondContact OD1-N 3.06Å; N486-E488 VanDerWaalsContact OD1-N 3.07Å; N486-L489 HydrophobicContact CB-CD1 4.31Å; N486-L489 HydrophobicContact CB-CG 4.43Å; N486-L489 PolarHBondContact O-N 3.21Å
487P91.6Very high93.3Very high50 Ų5049.6 Ų49.633%0.32524%0.239SC..G310 helixtrans-64.2-26.9-175.6-21.734.8000113.1V485 L489 K490 E508V485-P487 WeakPolarHBondContact O-CD 3.38Å; V485-P487 VanDerWaalsContact O-N 3.14Å; P487-L489 PolarHBondContact O-N 3.13Å; P487-K490 WeakPolarHBondContact O-CB 3.38Å; P487-K490 PolarHBondContact O-N 3.26Å; P487-E508 WeakPolarHBondContact CG-O 3.16Å
488E92.3Very high93.3Very high165 Ų16549.1 Ų49.177%0.77124%0.237SC*.G310 helixtrans-65.3-29.1179.7-60.4-174.9166.800112.3N486N486-E488 PolarHBondContact O-N 3.45Å; N486-E488 WeakPolarHBondContact OD1-CB 3.33Å; N486-E488 PolarHBondContact OD1-N 3.06Å; N486-E488 VanDerWaalsContact OD1-N 3.07Å
489L92.2Very high93.3Very high27 Ų2751.9 Ų51.914%0.14125%0.25CS..G310 helixtrans-92.1-3.6-177.2-61.6178.7000113.2W417 V433 N486 P487 S491 H492 F493W417-L489 HydrophobicContact CH2-CD2 4.32Å; W417-L489 HydrophobicContact CZ3-CD1 4.45Å; W417-L489 HydrophobicContact CZ3-CD2 4.46Å; V433-L489 HydrophobicContact CG1-CD1 3.93Å; N486-L489 HydrophobicContact CB-CD1 4.31Å; N486-L489 HydrophobicContact CB-CG 4.43Å; N486-L489 PolarHBondContact O-N 3.21Å; P487-L489 PolarHBondContact O-N 3.13Å; L489-S491 PolarHBondContact O-N 3.39Å; L489-H492 WeakPolarHBondContact O-CB 3.4Å; L489-H492 PolarHBondContact O-N 2.91Å; L489-F493 HydrophobicContact CB-CE2 4.33Å; L489-F493 VanDerWaalsContact O-CD2 3.29Å; L489-F493 WeakPolarHBondContact O-CD2 3.29Å
490K92.4Very high93.4Very high44 Ų4452 Ų5219%0.19125%0.251CS..Hα-helixtrans-51.6-48.6-174-178.8-166.5171.5179.60113.7P487 H492 F493 E494 F500 M510P487-K490 WeakPolarHBondContact O-CB 3.38Å; P487-K490 PolarHBondContact O-N 3.26Å; K490-H492 PolarHBondContact O-N 2.97Å; K490-F493 PolarHBondContact O-N 3.44Å; K490-E494 WeakPolarHBondContact CE-OE1 3.44Å; K490-E494 WeakPolarHBondContact CE-OE2 3.07Å; K490-E494 IonicContact NZ-OE1 3.56Å; K490-E494 PolarHBondContact O-N 3.23Å; K490-F500 HydrophobicContact CB-CE2 4.35Å; K490-F500 HydrophobicContact CD-CD2 4.45Å; K490-F500 HydrophobicContact CG-CD2 3.54Å; K490-F500 HydrophobicContact CG-CE2 3.76Å; K490-F500 HydrophobicContact CG-CG 4.47Å; K490-M510 HydrophobicContact CD-CE 3.69Å; K490-M510 HydrophobicContact CD-SD 3.85Å; K490-M510 HydrophobicContact CG-CE 4.44Å; K490-M510 HydrophobicContact CG-SD 4.28Å
491S93.5Very high93.6Very high60 Ų6049.5 Ų49.542%0.4224%0.242SC..Hα-helixtrans-58.1-36.5-174.651.10000112.6L489 F493 E494 D495L489-S491 PolarHBondContact O-N 3.39Å; S491-F493 PolarHBondContact O-N 2.95Å; S491-E494 PolarHBondContact O-N 3.25Å; S491-D495 VanDerWaalsContact O-CG 3.29Å; S491-D495 PolarHBondContact O-N 3.3Å; S491-D495 VanDerWaalsContact O-N 3.1Å
492H95Very high93.9Very high86 Ų8648.9 Ų48.940%0.39824%0.239SC..Hα-helixtrans-62.3-28.7179.3-64.6-73.6000113.5L415 W417 L489 K490L415-H492 HydrophobicContact CD1-CB 4.12Å; L415-H492 VanDerWaalsContact CD2-O 3.28Å; L415-H492 WeakPolarHBondContact CD2-O 3.28Å; W417-H492 HydrophobicContact CH2-CB 3.6Å; W417-H492 AromaticContact CH2-CD2 3.67Å; W417-H492 AromaticContact CH2-CG 3.56Å; W417-H492 HydrophobicContact CZ2-CB 4.19Å; W417-H492 AromaticContact CZ2-CG 3.94Å; W417-H492 HydrophobicContact CZ3-CB 4.49Å; L489-H492 WeakPolarHBondContact O-CB 3.4Å; L489-H492 PolarHBondContact O-N 2.91Å; K490-H492 PolarHBondContact O-N 2.97Å
493F96.1Very high94.2Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-80.8-46.6176.9-68.1-92.1000111.7V407 Y410 A411 L415 V433 L489 K490 S491 D495 K496 G497 F498 F500V407-F493 HydrophobicContact CG1-CE1 3.69Å; V407-F493 HydrophobicContact CG1-CE2 4.19Å; V407-F493 HydrophobicContact CG1-CZ 3.47Å; V407-F493 VanDerWaalsContact CG1-CZ 3.47Å; Y410-F493 AromaticContact CD1-CD1 3.66Å; Y410-F493 HydrophobicContact CD1-CD1 3.66Å; Y410-F493 HydrophobicContact CD1-CE1 4.09Å; Y410-F493 HydrophobicContact CE1-CD1 4.4Å; Y410-F493 HydrophobicContact CG-CD1 4.44Å; A411-F493 HydrophobicContact CB-CE1 4.09Å; A411-F493 HydrophobicContact CB-CZ 3.92Å; L415-F493 HydrophobicContact CD1-CD1 4.05Å; L415-F493 HydrophobicContact CD1-CD2 4.28Å; L415-F493 HydrophobicContact CD1-CE1 3.91Å; L415-F493 HydrophobicContact CD1-CE2 4.16Å; L415-F493 HydrophobicContact CD1-CG 4.22Å; L415-F493 HydrophobicContact CD1-CZ 3.96Å; V433-F493 HydrophobicContact CB-CZ 4.45Å; V433-F493 HydrophobicContact CG1-CE2 4.46Å; V433-F493 HydrophobicContact CG1-CZ 4.04Å; L489-F493 HydrophobicContact CB-CE2 4.33Å; L489-F493 VanDerWaalsContact O-CD2 3.29Å; L489-F493 WeakPolarHBondContact O-CD2 3.29Å; K490-F493 PolarHBondContact O-N 3.44Å; S491-F493 PolarHBondContact O-N 2.95Å; F493-D495 VanDerWaalsContact C-N 3.31Å; F493-D495 PolarHBondContact O-N 2.89Å; F493-K496 PolarHBondContact O-N 3.07Å; F493-G497 PolarHBondContact O-N 3.34Å; F493-F498 CarbonylContact C-O 3.53Å; F493-F498 VanDerWaalsContact C-O 3.27Å; F493-F498 HydrophobicContact CB-CB 4.11Å; F493-F498 HydrophobicContact CB-CD1 3.95Å; F493-F498 HydrophobicContact CB-CG 4.39Å; F493-F498 HydrophobicContact CD1-CB 4.49Å; F493-F498 AromaticContact CD1-CD1 3.87Å; F493-F498 HydrophobicContact CD1-CD1 3.87Å; F493-F498 HydrophobicContact CD1-CE1 4.26Å; F493-F498 HydrophobicContact CD1-CG 4.2Å; F493-F498 HydrophobicContact CG-CD1 4.25Å; F493-F498 PolarHBondContact O-N 2.82Å; F493-F498 VanDerWaalsContact O-N 3.1Å; F493-F500 HydrophobicContact CB-CE2 3.77Å; F493-F500 HydrophobicContact CB-CZ 4.2Å; F493-F500 HydrophobicContact CD2-CE2 4.27Å; F493-F500 HydrophobicContact CD2-CZ 4.24Å; F493-F500 HydrophobicContact CG-CE2 4.18Å; F493-F500 HydrophobicContact CG-CZ 4.17Å
494E94Very high94.4Very high62 Ų6242 Ų4229%0.2921%0.213SC..Hα-helixtrans-62.3-38.5-177.2-67.1-174.8151.400111.5K490 S491 K496 G497 F498 F500K490-E494 WeakPolarHBondContact CE-OE1 3.44Å; K490-E494 WeakPolarHBondContact CE-OE2 3.07Å; K490-E494 IonicContact NZ-OE1 3.56Å; K490-E494 PolarHBondContact O-N 3.23Å; S491-E494 PolarHBondContact O-N 3.25Å; E494-K496 PolarHBondContact O-N 3.3Å; E494-G497 PolarHBondContact O-N 3.19Å; E494-F498 WeakPolarHBondContact CA-O 3.45Å; E494-F498 PolarHBondContact N-O 2.9Å; E494-F500 HydrophobicContact CG-CD2 4.03Å
495D93.9Very high94.4Very high136 Ų13645 Ų4573%0.72723%0.232SC*.THydrogen-bonded Turntrans-60.5-17.5175.7-74.1-14.7000113.7S491 F493S491-D495 VanDerWaalsContact O-CG 3.29Å; S491-D495 PolarHBondContact O-N 3.3Å; S491-D495 VanDerWaalsContact O-N 3.1Å; F493-D495 VanDerWaalsContact C-N 3.31Å; F493-D495 PolarHBondContact O-N 2.89Å
496K93.8Very high94.1Very high131 Ų13151.1 Ų51.157%0.5726%0.26SS*.THydrogen-bonded Turntrans-110.210.3179.5-66.4-67.2-173.5179.40113.1Y410 L415 F493 E494Y410-K496 HydrophobicContact CE1-CB 4.08Å; Y410-K496 PolarHBondContact OH-O 3.23Å; L415-K496 HydrophobicContact CD2-CB 4.31Å; L415-K496 HydrophobicContact CD2-CG 3.75Å; F493-K496 PolarHBondContact O-N 3.07Å; E494-K496 PolarHBondContact O-N 3.3Å
497G93.1Very high93.8Very high10 Ų1051.4 Ų51.410%0.10327%0.267CS..THydrogen-bonded Turntrans84.713.8177.500000115F493 E494 D516F493-G497 PolarHBondContact O-N 3.34Å; E494-G497 PolarHBondContact O-N 3.19Å; G497-D516 WeakPolarHBondContact CA-OD2 3.23Å; G497-D516 WeakPolarHBondContact O-CB 3.26Å; G497-D516 PolarHBondContact O-N 2.91Å
498F95.8Very high93.6Very high0 Ų054.5 Ų54.50%028%0.277CS..EExtended strand (participates in β ladder)trans-100.599.6171.4-172.2-77.2000108.5V407 Y410 F493 E494 F500 I513 L515 F521V407-F498 HydrophobicContact CG2-CE1 3.95Å; V407-F498 HydrophobicContact CG2-CZ 3.9Å; Y410-F498 HydrophobicContact CD1-CB 3.97Å; Y410-F498 AromaticContact CD1-CD2 4Å; Y410-F498 HydrophobicContact CD1-CD2 4Å; Y410-F498 HydrophobicContact CD1-CG 4.1Å; Y410-F498 AromaticContact CD2-CD2 3.54Å; Y410-F498 HydrophobicContact CD2-CD2 3.54Å; Y410-F498 HydrophobicContact CD2-CE2 4.12Å; Y410-F498 HydrophobicContact CD2-CG 4.38Å; Y410-F498 HydrophobicContact CE1-CB 3.61Å; Y410-F498 HydrophobicContact CE1-CD2 4.32Å; Y410-F498 HydrophobicContact CE1-CG 4.23Å; Y410-F498 HydrophobicContact CE2-CB 4.21Å; Y410-F498 AromaticContact CE2-CD2 3.92Å; Y410-F498 HydrophobicContact CE2-CD2 3.92Å; Y410-F498 HydrophobicContact CG-CB 4.38Å; Y410-F498 AromaticContact CG-CD2 3.57Å; Y410-F498 HydrophobicContact CG-CD2 3.57Å; Y410-F498 HydrophobicContact CG-CE2 4.03Å; Y410-F498 HydrophobicContact CG-CG 4.15Å; F493-F498 CarbonylContact C-O 3.53Å; F493-F498 VanDerWaalsContact C-O 3.27Å; F493-F498 HydrophobicContact CB-CB 4.11Å; F493-F498 HydrophobicContact CB-CD1 3.95Å; F493-F498 HydrophobicContact CB-CG 4.39Å; F493-F498 HydrophobicContact CD1-CB 4.49Å; F493-F498 AromaticContact CD1-CD1 3.87Å; F493-F498 HydrophobicContact CD1-CD1 3.87Å; F493-F498 HydrophobicContact CD1-CE1 4.26Å; F493-F498 HydrophobicContact CD1-CG 4.2Å; F493-F498 HydrophobicContact CG-CD1 4.25Å; F493-F498 PolarHBondContact O-N 2.82Å; F493-F498 VanDerWaalsContact O-N 3.1Å; E494-F498 WeakPolarHBondContact CA-O 3.45Å; E494-F498 PolarHBondContact N-O 2.9Å; F498-F500 HydrophobicContact CD1-CE1 4.5Å; F498-F500 HydrophobicContact CD1-CZ 4.21Å; F498-F500 HydrophobicContact CE1-CE1 4.04Å; F498-F500 HydrophobicContact CE1-CZ 4.06Å; F498-I513 HydrophobicContact CE1-CB 3.86Å; F498-I513 HydrophobicContact CE1-CD1 4.1Å; F498-I513 HydrophobicContact CE1-CG2 3.67Å; F498-I513 HydrophobicContact CE2-CD1 4.06Å; F498-I513 HydrophobicContact CZ-CB 3.99Å; F498-I513 HydrophobicContact CZ-CD1 3.36Å; F498-I513 HydrophobicContact CZ-CG1 4.18Å; F498-I513 HydrophobicContact CZ-CG2 4.09Å; F498-L515 HydrophobicContact CB-CD1 4.28Å; F498-L515 HydrophobicContact CD2-CD1 4.13Å; F498-F521 HydrophobicContact CE2-CE1 4.11Å
499H96.4Very high93.5Very high58 Ų5847.2 Ų47.227%0.26924%0.243SC..EExtended strand (participates in β ladder)trans-99.3139.5-166.8-65.1-63.4000112.8V501 I513 E514 D516H499-V501 HydrophobicContact CB-CG1 3.93Å; H499-V501 PolarHBondContact O-N 3.09Å; H499-I513 CarbonylContact O-C 3.36Å; H499-I513 VanDerWaalsContact O-CA 3.3Å; H499-I513 WeakPolarHBondContact O-CA 3.35Å; H499-E514 PolarHBondContact N-O 3.03Å; H499-E514 PolarHBondContact O-N 3.18Å; H499-D516 VanDerWaalsContact CD2-CG 3.48Å; H499-D516 IonicContact CD2-OD1 3.52Å; H499-D516 PolarHBondContact CD2-OD1 3.49Å; H499-D516 IonicContact CD2-OD2 3.85Å; H499-D516 PolarHBondContact CD2-OD2 3.26Å; H499-D516 IonicContact CE1-OD2 2.75Å; H499-D516 VanDerWaalsContact NE2-CG 3.25Å; H499-D516 IonicContact NE2-OD1 3.69Å; H499-D516 PolarHBondContact NE2-OD1 3.43Å; H499-D516 IonicContact NE2-OD2 3.46Å; H499-D516 PolarHBondContact NE2-OD2 3.09Å
500F96.7Very high93.7Very high4 Ų446.2 Ų46.22%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-96.383.5170.9-59.6-79000110.2V407 V485 K490 F493 E494 F498 G502 M510 I512 I513V407-F500 HydrophobicContact CG2-CE1 4.42Å; V485-F500 HydrophobicContact CG1-CE1 3.98Å; V485-F500 HydrophobicContact CG1-CZ 3.93Å; V485-F500 HydrophobicContact CG2-CE1 4.37Å; K490-F500 HydrophobicContact CB-CE2 4.35Å; K490-F500 HydrophobicContact CD-CD2 4.45Å; K490-F500 HydrophobicContact CG-CD2 3.54Å; K490-F500 HydrophobicContact CG-CE2 3.76Å; K490-F500 HydrophobicContact CG-CG 4.47Å; F493-F500 HydrophobicContact CB-CE2 3.77Å; F493-F500 HydrophobicContact CB-CZ 4.2Å; F493-F500 HydrophobicContact CD2-CE2 4.27Å; F493-F500 HydrophobicContact CD2-CZ 4.24Å; F493-F500 HydrophobicContact CG-CE2 4.18Å; F493-F500 HydrophobicContact CG-CZ 4.17Å; E494-F500 HydrophobicContact CG-CD2 4.03Å; F498-F500 HydrophobicContact CD1-CE1 4.5Å; F498-F500 HydrophobicContact CD1-CZ 4.21Å; F498-F500 HydrophobicContact CE1-CE1 4.04Å; F498-F500 HydrophobicContact CE1-CZ 4.06Å; F500-G502 PolarHBondContact O-N 3.2Å; F500-M510 HydrophobicContact CB-CB 4.19Å; F500-M510 HydrophobicContact CB-CG 4.07Å; F500-M510 HydrophobicContact CB-SD 3.54Å; F500-M510 VanDerWaalsContact CB-SD 3.54Å; F500-M510 HydrophobicContact CD1-CB 3.37Å; F500-M510 HydrophobicContact CD1-CG 3.59Å; F500-M510 HydrophobicContact CD1-SD 4.23Å; F500-M510 HydrophobicContact CD2-CG 4.36Å; F500-M510 HydrophobicContact CD2-SD 4.33Å; F500-M510 HydrophobicContact CE1-CB 3.91Å; F500-M510 HydrophobicContact CE1-CG 4.02Å; F500-M510 HydrophobicContact CG-CB 3.96Å; F500-M510 HydrophobicContact CG-CG 3.75Å; F500-M510 HydrophobicContact CG-SD 3.8Å; F500-I512 CarbonylContact C-O 3.22Å; F500-I512 WeakPolarHBondContact CA-O 3.44Å; F500-I513 HydrophobicContact CD1-CG2 3.51Å; F500-I513 HydrophobicContact CE1-CG2 3.59Å
501V96.7Very high93.9Very high6 Ų644.2 Ų44.24%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-77.3-19.2-170.1-58.40000114.1F458 K459 T460 H499 I512 E514F458-V501 CarbonylContact C-O 3.37Å; F458-V501 WeakPolarHBondContact CA-O 3.09Å; K459-V501 PolarHBondContact N-O 2.95Å; T460-V501 HydrophobicContact CG2-CB 3.79Å; T460-V501 HydrophobicContact CG2-CG1 3.67Å; H499-V501 HydrophobicContact CB-CG1 3.93Å; H499-V501 PolarHBondContact O-N 3.09Å; V501-I512 HydrophobicContact CG2-CB 3.85Å; V501-I512 HydrophobicContact CG2-CG2 3.47Å; V501-I512 VanDerWaalsContact CG2-CG2 3.47Å; V501-I512 PolarHBondContact N-O 3.4Å; V501-E514 HydrophobicContact CG1-CB 4.04Å; V501-E514 HydrophobicContact CG1-CG 4.14Å; V501-E514 HydrophobicContact CG2-CB 4.5Å; V501-E514 HydrophobicContact CG2-CG 3.8Å
502G96.4Very high94.1Very high0 Ų041.3 Ų41.30%021%0.209CC..EExtended strand (participates in β ladder)trans-129.7133.4178.500000111.2I457 F500 E511 I512I457-G502 WeakPolarHBondContact O-CA 3.17Å; F500-G502 PolarHBondContact O-N 3.2Å; G502-E511 PolarHBondContact O-N 3.39Å; G502-I512 PolarHBondContact N-O 2.87Å; G502-I512 PolarHBondContact O-N 3.27Å; G502-I512 VanDerWaalsContact O-N 3.14Å
503Q95.9Very high94.2Very high14 Ų1437.2 Ų37.27%0.06519%0.19CC..EExtended strand (participates in β ladder)trans-135164.9-179.8-66.6164.618.500110.9T456 I457 K459 G507 R509 M510T456-Q503 CarbonylContact C-O 3.56Å; T456-Q503 WeakPolarHBondContact CA-O 3.49Å; I457-Q503 PolarHBondContact N-O 3.22Å; I457-Q503 PolarHBondContact O-N 3.27Å; K459-Q503 HydrophobicContact CG-CB 4.39Å; K459-Q503 HydrophobicContact CG-CG 4.19Å; Q503-G507 PolarHBondContact OE1-O 2.68Å; Q503-R509 CarbonylContact C-O 3.48Å; Q503-R509 WeakPolarHBondContact CA-O 3.26Å; Q503-R509 VanDerWaalsContact CB-O 3.29Å; Q503-R509 WeakPolarHBondContact CB-O 3.42Å; Q503-M510 HydrophobicContact CG-CE 4.22Å; Q503-M510 HydrophobicContact CG-SD 3.62Å
504D93.8Very high94.3Very high0 Ų038.1 Ų38.10%019%0.194CC..  trans-66.5-178.9171.670.7-11.1000112.8E506 G507 E508 R509D504-E506 VanDerWaalsContact C-N 3.3Å; D504-E506 PolarHBondContact O-N 3.41Å; D504-G507 PolarHBondContact O-N 3.2Å; D504-G507 WeakPolarHBondContact OD1-CA 3.46Å; D504-G507 PolarHBondContact OD1-N 3.3Å; D504-E508 PolarHBondContact OD1-N 3.12Å; D504-R509 HydrophobicContact CB-CB 4.09Å; D504-R509 PolarHBondContact N-O 3.45Å; D504-R509 PolarHBondContact OD1-N 3.32Å; D504-R509 WeakPolarHBondContact OD2-CB 3.27Å; D504-R509 VanDerWaalsContact OD2-CD 3.3Å; D504-R509 WeakPolarHBondContact OD2-CD 3.49Å; D504-R509 WeakPolarHBondContact OD2-CG 3.47Å; D504-R509 IonicContact OD2-CZ 3.3Å; D504-R509 IonicContact OD2-NE 3.69Å; D504-R509 IonicContact OD2-NH1 3.78Å; D504-R509 PolarHBondContact OD2-NH1 3.37Å
505V92.8Very high94.5Very high78 Ų7836.4 Ų36.447%0.47319%0.186SC..SBendtrans-64-39.8-174.41780000111R455 I457 G507R455-V505 HydrophobicContact CB-CG2 3.99Å; R455-V505 HydrophobicContact CG-CG2 4.33Å; I457-V505 HydrophobicContact CD1-CB 4.46Å; I457-V505 HydrophobicContact CD1-CG2 4.42Å; V505-G507 VanDerWaalsContact C-N 3.32Å
506E89.1Confident94.5Very high127 Ų12733.6 Ų33.659%0.59317%0.172SC*.SBendtrans-76.1-21.1179.6-62.771.9-158.800112.1D504 E508D504-E506 VanDerWaalsContact C-N 3.3Å; D504-E506 PolarHBondContact O-N 3.41Å; E506-E508 VanDerWaalsContact C-N 3.25Å; E506-E508 HydrophobicContact CB-CG 4.03Å
507G87.4Confident94.3Very high22 Ų2234.4 Ų34.423%0.22718%0.182CC..SBendtrans78.311.4-177.200000113.4Q503 D504 V505Q503-G507 PolarHBondContact OE1-O 2.68Å; D504-G507 PolarHBondContact O-N 3.2Å; D504-G507 WeakPolarHBondContact OD1-CA 3.46Å; D504-G507 PolarHBondContact OD1-N 3.3Å; V505-G507 VanDerWaalsContact C-N 3.32Å
508E87.4Confident94.5Very high114 Ų11434.8 Ų34.853%0.53318%0.181SC..  trans-80.6-35178.7-65-177.6163.200110.3P487 D504 E506P487-E508 WeakPolarHBondContact CG-O 3.16Å; D504-E508 PolarHBondContact OD1-N 3.12Å; E506-E508 VanDerWaalsContact C-N 3.25Å; E506-E508 HydrophobicContact CB-CG 4.03Å
509R91.5Very high94.5Very high13 Ų1337 Ų375%0.04920%0.196CC..SBendtrans-108.6131.1-169.8-56.1-176.4179.393-1.6111.8E439 E484 Q503 D504E439-R509 IonicContact OE1-CZ 3.71Å; E439-R509 IonicContact OE1-NH1 2.74Å; E439-R509 IonicContact OE1-NH2 3.7Å; E439-R509 PolarHBondContact OE1-NH2 3.02Å; E439-R509 IonicContact OE2-NH2 2.96Å; E484-R509 WeakPolarHBondContact OE2-CD 3.42Å; E484-R509 WeakPolarHBondContact OE2-CG 3.34Å; E484-R509 IonicContact OE2-NE 3.41Å; E484-R509 PolarHBondContact OE2-NE 3.23Å; Q503-R509 CarbonylContact C-O 3.48Å; Q503-R509 WeakPolarHBondContact CA-O 3.26Å; Q503-R509 VanDerWaalsContact CB-O 3.29Å; Q503-R509 WeakPolarHBondContact CB-O 3.42Å; D504-R509 HydrophobicContact CB-CB 4.09Å; D504-R509 PolarHBondContact N-O 3.45Å; D504-R509 PolarHBondContact OD1-N 3.32Å; D504-R509 WeakPolarHBondContact OD2-CB 3.27Å; D504-R509 VanDerWaalsContact OD2-CD 3.3Å; D504-R509 WeakPolarHBondContact OD2-CD 3.49Å; D504-R509 WeakPolarHBondContact OD2-CG 3.47Å; D504-R509 IonicContact OD2-CZ 3.3Å; D504-R509 IonicContact OD2-NE 3.69Å; D504-R509 IonicContact OD2-NH1 3.78Å; D504-R509 PolarHBondContact OD2-NH1 3.37Å
510M95.4Very high94.6Very high5 Ų534.2 Ų34.23%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-87119.2175.4-49.5-57.6132.700109.7V485 K490 F500 Q503V485-M510 HydrophobicContact CB-CB 4.27Å; V485-M510 HydrophobicContact CB-CG 4.38Å; K490-M510 HydrophobicContact CD-CE 3.69Å; K490-M510 HydrophobicContact CD-SD 3.85Å; K490-M510 HydrophobicContact CG-CE 4.44Å; K490-M510 HydrophobicContact CG-SD 4.28Å; F500-M510 HydrophobicContact CB-CB 4.19Å; F500-M510 HydrophobicContact CB-CG 4.07Å; F500-M510 HydrophobicContact CB-SD 3.54Å; F500-M510 VanDerWaalsContact CB-SD 3.54Å; F500-M510 HydrophobicContact CD1-CB 3.37Å; F500-M510 HydrophobicContact CD1-CG 3.59Å; F500-M510 HydrophobicContact CD1-SD 4.23Å; F500-M510 HydrophobicContact CD2-CG 4.36Å; F500-M510 HydrophobicContact CD2-SD 4.33Å; F500-M510 HydrophobicContact CE1-CB 3.91Å; F500-M510 HydrophobicContact CE1-CG 4.02Å; F500-M510 HydrophobicContact CG-CB 3.96Å; F500-M510 HydrophobicContact CG-CG 3.75Å; F500-M510 HydrophobicContact CG-SD 3.8Å; Q503-M510 HydrophobicContact CG-CE 4.22Å; Q503-M510 HydrophobicContact CG-SD 3.62Å
511E96.3Very high94.7Very high2 Ų234.2 Ų34.21%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-115.6-20.5-172.1-65.6-171.3153.500113.5R450 T456 H479 G502 V524 Q525R450-E511 IonicContact CZ-OE1 3.41Å; R450-E511 IonicContact NE-OE1 3.2Å; R450-E511 IonicContact NH2-OE1 2.82Å; R450-E511 PolarHBondContact NH2-OE1 3.46Å; T456-E511 WeakPolarHBondContact CA-OE2 3.39Å; T456-E511 WeakPolarHBondContact CB-OE2 3.29Å; T456-E511 HydrophobicContact CG2-CB 3.72Å; T456-E511 VanDerWaalsContact CG2-OE2 3.22Å; T456-E511 WeakPolarHBondContact CG2-OE2 3.45Å; T456-E511 PolarHBondContact OG1-OE2 3.44Å; H479-E511 IonicContact CE1-OE1 3.56Å; H479-E511 PolarHBondContact CE1-OE1 3.01Å; H479-E511 IonicContact NE2-OE1 3.13Å; G502-E511 PolarHBondContact O-N 3.39Å; E511-V524 CarbonylContact O-C 3.27Å; E511-V524 WeakPolarHBondContact O-CA 3.37Å; E511-Q525 HydrophobicContact CB-CB 4.4Å; E511-Q525 PolarHBondContact O-N 3.37Å
512I98.3Very high94.7Very high0 Ų034 Ų340%018%0.181CC..EExtended strand (participates in β ladder)trans-137.1127.1177-51.5175.6000109.8T456 F458 M465 F500 V501 G502 G523 V524 Y526T456-I512 HydrophobicContact CG2-CD1 3.91Å; T456-I512 HydrophobicContact CG2-CG1 4.07Å; F458-I512 HydrophobicContact CD1-CD1 4.36Å; F458-I512 HydrophobicContact CE1-CD1 3.55Å; F458-I512 HydrophobicContact CZ-CD1 3.95Å; M465-I512 HydrophobicContact CB-CG2 4.27Å; M465-I512 HydrophobicContact CG-CG2 3.93Å; F500-I512 CarbonylContact C-O 3.22Å; F500-I512 WeakPolarHBondContact CA-O 3.44Å; V501-I512 HydrophobicContact CG2-CB 3.85Å; V501-I512 HydrophobicContact CG2-CG2 3.47Å; V501-I512 VanDerWaalsContact CG2-CG2 3.47Å; V501-I512 PolarHBondContact N-O 3.4Å; G502-I512 PolarHBondContact N-O 2.87Å; G502-I512 PolarHBondContact O-N 3.27Å; G502-I512 VanDerWaalsContact O-N 3.14Å; I512-G523 WeakPolarHBondContact CA-O 3.31Å; I512-V524 HydrophobicContact CG1-CG1 4.28Å; I512-V524 HydrophobicContact CG2-CG1 4.27Å; I512-Y526 HydrophobicContact CD1-CE1 4.01Å; I512-Y526 HydrophobicContact CG1-CE1 3.8Å
513I98Very high94.8Very high0 Ų034 Ų340%018%0.181CC..EExtended strand (participates in β ladder)trans-108.3143.1172.765.5174000111M403 A406 F498 H499 F500 V522 G523M403-I513 HydrophobicContact CG-CD1 3.74Å; M403-I513 HydrophobicContact CG-CG1 3.86Å; M403-I513 HydrophobicContact CG-CG2 4.16Å; M403-I513 HydrophobicContact SD-CG2 4.21Å; A406-I513 HydrophobicContact CB-CD1 3.86Å; F498-I513 HydrophobicContact CE1-CB 3.86Å; F498-I513 HydrophobicContact CE1-CD1 4.1Å; F498-I513 HydrophobicContact CE1-CG2 3.67Å; F498-I513 HydrophobicContact CE2-CD1 4.06Å; F498-I513 HydrophobicContact CZ-CB 3.99Å; F498-I513 HydrophobicContact CZ-CD1 3.36Å; F498-I513 HydrophobicContact CZ-CG1 4.18Å; F498-I513 HydrophobicContact CZ-CG2 4.09Å; H499-I513 CarbonylContact O-C 3.36Å; H499-I513 VanDerWaalsContact O-CA 3.3Å; H499-I513 WeakPolarHBondContact O-CA 3.35Å; F500-I513 HydrophobicContact CD1-CG2 3.51Å; F500-I513 HydrophobicContact CE1-CG2 3.59Å; I513-V522 WeakPolarHBondContact O-CA 3.36Å; I513-G523 VanDerWaalsContact CG1-CA 3.41Å; I513-G523 PolarHBondContact N-O 3.47Å; I513-G523 PolarHBondContact O-N 3.13Å; I513-G523 VanDerWaalsContact O-N 3.15Å
514E97.9Very high94.9Very high19 Ų1933.3 Ų33.39%0.08918%0.178CC..EExtended strand (participates in β ladder)trans-134.4142.7168.2-68.2-174.6-168.100109.4S463 I464 M465 H499 V501 F521 V522S463-E514 WeakPolarHBondContact CA-OE2 3.48Å; S463-E514 WeakPolarHBondContact CB-OE1 3.43Å; S463-E514 PolarHBondContact OG-OE1 3.27Å; I464-E514 PolarHBondContact N-OE1 3.26Å; I464-E514 VanDerWaalsContact N-OE1 3.15Å; I464-E514 PolarHBondContact N-OE2 3.05Å; M465-E514 VanDerWaalsContact CB-OE1 3.28Å; M465-E514 WeakPolarHBondContact CB-OE1 3.39Å; M465-E514 WeakPolarHBondContact CG-OE1 3.4Å; M465-E514 PolarHBondContact N-OE1 3.39Å; H499-E514 PolarHBondContact N-O 3.03Å; H499-E514 PolarHBondContact O-N 3.18Å; V501-E514 HydrophobicContact CG1-CB 4.04Å; V501-E514 HydrophobicContact CG1-CG 4.14Å; V501-E514 HydrophobicContact CG2-CB 4.5Å; V501-E514 HydrophobicContact CG2-CG 3.8Å; E514-F521 WeakPolarHBondContact CA-O 3.44Å; E514-V522 HydrophobicContact CG-CG2 4.35Å
515L97.3Very high95.1Very high25 Ų2533.5 Ų33.513%0.13118%0.179CC..EExtended strand (participates in β ladder)trans-105.5130.1174.9-178.766.2000110.7R390 Y410 F498 H518 F521R390-L515 HydrophobicContact CG-CD2 3.68Å; Y410-L515 HydrophobicContact CD2-CD1 4.37Å; Y410-L515 HydrophobicContact CE2-CD1 3.55Å; F498-L515 HydrophobicContact CB-CD1 4.28Å; F498-L515 HydrophobicContact CD2-CD1 4.13Å; L515-H518 HydrophobicContact CB-CB 4.46Å; L515-H518 HydrophobicContact CD2-CB 4.23Å; L515-H518 HydrophobicContact CG-CB 4.4Å; L515-F521 HydrophobicContact CB-CB 3.86Å; L515-F521 HydrophobicContact CB-CD1 3.75Å; L515-F521 HydrophobicContact CB-CG 4Å; L515-F521 HydrophobicContact CD2-CB 4.43Å; L515-F521 HydrophobicContact CD2-CD1 4.3Å; L515-F521 HydrophobicContact CD2-CD2 4.46Å; L515-F521 HydrophobicContact CD2-CG 4.16Å; L515-F521 PolarHBondContact N-O 2.68Å
516D94Very high95.3Very high78 Ų7829.8 Ų29.842%0.41716%0.157SC..THydrogen-bonded Turntrans-60.8153.9173.4-77.4-15.4000112.3G497 H499 H518G497-D516 WeakPolarHBondContact CA-OD2 3.23Å; G497-D516 WeakPolarHBondContact O-CB 3.26Å; G497-D516 PolarHBondContact O-N 2.91Å; H499-D516 VanDerWaalsContact CD2-CG 3.48Å; H499-D516 IonicContact CD2-OD1 3.52Å; H499-D516 PolarHBondContact CD2-OD1 3.49Å; H499-D516 IonicContact CD2-OD2 3.85Å; H499-D516 PolarHBondContact CD2-OD2 3.26Å; H499-D516 IonicContact CE1-OD2 2.75Å; H499-D516 VanDerWaalsContact NE2-CG 3.25Å; H499-D516 IonicContact NE2-OD1 3.69Å; H499-D516 PolarHBondContact NE2-OD1 3.43Å; H499-D516 IonicContact NE2-OD2 3.46Å; H499-D516 PolarHBondContact NE2-OD2 3.09Å; D516-H518 PolarHBondContact O-N 3.39Å
517D90.7Very high95.7Very high147 Ų14724.6 Ų24.679%0.78613%0.132SC*.THydrogen-bonded Turntrans55.516.9177.6-64.8-35.5000115.2R393R393-D517 PolarHBondContact NH1-O 3.46Å; R393-D517 PolarHBondContact NH2-O 3.38Å
518H96.9Very high96.1Very high18 Ų1823.5 Ų23.58%0.08312%0.121CC..  trans-112.5139.6175.7-167.5-78.9000111.5A389 R393 K394 L515 D516 Y520 F521A389-H518 PolarHBondContact O-NE2 3.32Å; R393-H518 VanDerWaalsContact CA-NE2 3.33Å; R393-H518 WeakPolarHBondContact CA-NE2 3.44Å; K394-H518 PolarHBondContact O-CE1 3.49Å; K394-H518 PolarHBondContact O-NE2 3.25Å; L515-H518 HydrophobicContact CB-CB 4.46Å; L515-H518 HydrophobicContact CD2-CB 4.23Å; L515-H518 HydrophobicContact CG-CB 4.4Å; D516-H518 PolarHBondContact O-N 3.39Å; H518-Y520 VanDerWaalsContact C-N 3.3Å; H518-Y520 PolarHBondContact CE1-O 3.2Å; H518-Y520 PolarHBondContact ND1-N 2.98Å; H518-Y520 PolarHBondContact ND1-O 2.86Å; H518-Y520 VanDerWaalsContact ND1-O 3.13Å; H518-Y520 PolarHBondContact O-N 3.21Å; H518-F521 HydrophobicContact CB-CB 4Å; H518-F521 WeakPolarHBondContact ND1-CB 3.47Å; H518-F521 PolarHBondContact ND1-N 2.83Å
519P95.3Very high96.6Very high47 Ų4718.2 Ų18.231%0.30510%0.096SC..SBendtrans-59.1-38.7-175.621-33.9000114R393R393-P519 HydrophobicContact CB-CG 4.41Å; R393-P519 WeakPolarHBondContact O-CG 3.5Å
520Y98.1Very high96.8Very high0 Ų017.7 Ų17.70%010%0.095CC..SBendtrans-162.5101.9171.3-171.4-96.9000109.2P395 F396 L397 I464 M465 L468 H518 V522 P540 L544 A547 L552P395-Y520 CarbonylContact C-O 3.53Å; P395-Y520 VanDerWaalsContact CA-O 3.3Å; P395-Y520 WeakPolarHBondContact CA-O 3.39Å; F396-Y520 PolarHBondContact N-O 3.25Å; F396-Y520 WeakPolarHBondContact O-CD1 3.5Å; L397-Y520 HydrophobicContact CB-CE1 4.46Å; I464-Y520 HydrophobicContact CG2-CD2 4.18Å; I464-Y520 HydrophobicContact CG2-CE2 4.09Å; M465-Y520 HydrophobicContact SD-CE2 4.5Å; L468-Y520 HydrophobicContact CD1-CE2 4.16Å; H518-Y520 VanDerWaalsContact C-N 3.3Å; H518-Y520 PolarHBondContact CE1-O 3.2Å; H518-Y520 PolarHBondContact ND1-N 2.98Å; H518-Y520 PolarHBondContact ND1-O 2.86Å; H518-Y520 VanDerWaalsContact ND1-O 3.13Å; H518-Y520 PolarHBondContact O-N 3.21Å; Y520-V522 HydrophobicContact CD1-CG2 4.35Å; Y520-V522 HydrophobicContact CD2-CG2 4.03Å; Y520-V522 HydrophobicContact CE1-CB 3.98Å; Y520-V522 HydrophobicContact CE1-CG2 3.94Å; Y520-V522 HydrophobicContact CE2-CB 4.43Å; Y520-V522 HydrophobicContact CE2-CG2 3.58Å; Y520-V522 HydrophobicContact CG-CG2 4.39Å; Y520-P540 WeakPolarHBondContact OH-CA 3.36Å; Y520-P540 PolarHBondContact OH-O 3.41Å; Y520-L544 HydrophobicContact CD1-CB 4.35Å; Y520-L544 HydrophobicContact CD1-CD1 4.05Å; Y520-L544 HydrophobicContact CE1-CB 3.84Å; Y520-L544 HydrophobicContact CE1-CD1 4.18Å; Y520-A547 VanDerWaalsContact CB-CB 3.45Å; Y520-A547 HydrophobicContact CD2-CB 4.43Å; Y520-A547 HydrophobicContact CG-CB 3.92Å; Y520-L552 HydrophobicContact CD2-CD2 3.8Å
521F98.6Very high96.8Very high4 Ų419 Ų192%0.01810%0.103CC..EExtended strand (participates in β ladder)trans-13096.2172.1-170-81.3000106.8I386 R390 F396 A406 F498 E514 L515 H518I386-F521 HydrophobicContact CG2-CE2 4.06Å; I386-F521 HydrophobicContact CG2-CZ 3.73Å; R390-F521 HydrophobicContact CB-CD2 4.33Å; R390-F521 HydrophobicContact CB-CE2 3.81Å; R390-F521 HydrophobicContact CG-CE2 4.35Å; F396-F521 HydrophobicContact CB-CD2 3.71Å; F396-F521 HydrophobicContact CB-CE2 4.08Å; F396-F521 HydrophobicContact CB-CG 4.35Å; F396-F521 HydrophobicContact CD1-CD1 4.08Å; F396-F521 AromaticContact CD1-CD2 3.66Å; F396-F521 HydrophobicContact CD1-CD2 3.66Å; F396-F521 AromaticContact CD1-CE1 3.94Å; F396-F521 HydrophobicContact CD1-CE1 3.94Å; F396-F521 AromaticContact CD1-CE2 3.5Å; F396-F521 HydrophobicContact CD1-CE2 3.5Å; F396-F521 AromaticContact CD1-CG 3.94Å; F396-F521 HydrophobicContact CD1-CG 3.94Å; F396-F521 AromaticContact CD1-CZ 3.66Å; F396-F521 HydrophobicContact CD1-CZ 3.66Å; F396-F521 HydrophobicContact CE1-CE1 4.14Å; F396-F521 HydrophobicContact CE1-CE2 4.15Å; F396-F521 AromaticContact CE1-CZ 3.89Å; F396-F521 HydrophobicContact CE1-CZ 3.89Å; F396-F521 AromaticContact CG-CD2 3.95Å; F396-F521 HydrophobicContact CG-CD2 3.95Å; F396-F521 AromaticContact CG-CE2 3.87Å; F396-F521 HydrophobicContact CG-CE2 3.87Å; F396-F521 HydrophobicContact CG-CZ 4.43Å; A406-F521 HydrophobicContact CB-CE1 4.15Å; A406-F521 HydrophobicContact CB-CZ 4.13Å; F498-F521 HydrophobicContact CE2-CE1 4.11Å; E514-F521 WeakPolarHBondContact CA-O 3.44Å; L515-F521 HydrophobicContact CB-CB 3.86Å; L515-F521 HydrophobicContact CB-CD1 3.75Å; L515-F521 HydrophobicContact CB-CG 4Å; L515-F521 HydrophobicContact CD2-CB 4.43Å; L515-F521 HydrophobicContact CD2-CD1 4.3Å; L515-F521 HydrophobicContact CD2-CD2 4.46Å; L515-F521 HydrophobicContact CD2-CG 4.16Å; L515-F521 PolarHBondContact N-O 2.68Å; H518-F521 HydrophobicContact CB-CB 4Å; H518-F521 WeakPolarHBondContact ND1-CB 3.47Å; H518-F521 PolarHBondContact ND1-N 2.83Å
522V98.6Very high96.7Very high1 Ų118.9 Ų18.91%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-121.1140.4-174.9175.30000108.5F396 L397 G398 M465 I513 E514 Y520 V524F396-V522 PolarHBondContact O-N 3.31Å; L397-V522 CarbonylContact C-O 3.53Å; L397-V522 VanDerWaalsContact CA-O 3.25Å; L397-V522 WeakPolarHBondContact CA-O 3.49Å; L397-V522 HydrophobicContact CD1-CB 4.24Å; L397-V522 HydrophobicContact CD1-CG1 4.06Å; G398-V522 PolarHBondContact N-O 2.91Å; M465-V522 HydrophobicContact CG-CG1 3.67Å; M465-V522 HydrophobicContact CG-CG2 4.07Å; M465-V522 HydrophobicContact SD-CB 4.35Å; M465-V522 HydrophobicContact SD-CG1 3.62Å; M465-V522 HydrophobicContact SD-CG2 3.97Å; I513-V522 WeakPolarHBondContact O-CA 3.36Å; E514-V522 HydrophobicContact CG-CG2 4.35Å; Y520-V522 HydrophobicContact CD1-CG2 4.35Å; Y520-V522 HydrophobicContact CD2-CG2 4.03Å; Y520-V522 HydrophobicContact CE1-CB 3.98Å; Y520-V522 HydrophobicContact CE1-CG2 3.94Å; Y520-V522 HydrophobicContact CE2-CB 4.43Å; Y520-V522 HydrophobicContact CE2-CG2 3.58Å; Y520-V522 HydrophobicContact CG-CG2 4.39Å; V522-V524 HydrophobicContact CG1-CG1 4.11Å
523G98.3Very high96.5Very high0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans-131.2143.8164.600000109.9G398 I512 I513G398-G523 CarbonylContact O-C 3.34Å; G398-G523 VanDerWaalsContact O-CA 3.22Å; G398-G523 WeakPolarHBondContact O-CA 3.28Å; I512-G523 WeakPolarHBondContact CA-O 3.31Å; I513-G523 VanDerWaalsContact CG1-CA 3.41Å; I513-G523 PolarHBondContact N-O 3.47Å; I513-G523 PolarHBondContact O-N 3.13Å; I513-G523 VanDerWaalsContact O-N 3.15Å
524V98.3Very high96Very high0 Ų020 Ų200%011%0.107CC..EExtended strand (participates in β ladder)trans-131.3141.7178.7-62.10000110.3G398 V399 C400 M403 E511 I512 V522 Y526 P528G398-V524 PolarHBondContact O-N 3.03Å; V399-V524 CarbonylContact C-O 3.54Å; V399-V524 HydrophobicContact CG2-CG2 4.38Å; C400-V524 PolarHBondContact N-O 3.32Å; M403-V524 VanDerWaalsContact SD-C 3.52Å; E511-V524 CarbonylContact O-C 3.27Å; E511-V524 WeakPolarHBondContact O-CA 3.37Å; I512-V524 HydrophobicContact CG1-CG1 4.28Å; I512-V524 HydrophobicContact CG2-CG1 4.27Å; V522-V524 HydrophobicContact CG1-CG1 4.11Å; V524-Y526 HydrophobicContact CB-CD1 4.18Å; V524-Y526 HydrophobicContact CB-CD2 4.27Å; V524-Y526 HydrophobicContact CB-CE1 3.85Å; V524-Y526 HydrophobicContact CB-CE2 3.96Å; V524-Y526 HydrophobicContact CB-CG 4.37Å; V524-Y526 HydrophobicContact CG1-CE1 3.99Å; V524-Y526 HydrophobicContact CG1-CE2 4.12Å; V524-Y526 HydrophobicContact CG2-CD2 4.23Å; V524-Y526 HydrophobicContact CG2-CE2 4.06Å; V524-P528 HydrophobicContact CG2-CG 3.78Å
525Q96.9Very high95.5Very high4 Ų421.7 Ų21.72%0.01912%0.117CC..SBendtrans-83-28.6-179.8-17058.622.600112.3M403 H481 F483 E511M403-Q525 HydrophobicContact CE-CB 3.81Å; M403-Q525 HydrophobicContact CE-CG 4.3Å; M403-Q525 HydrophobicContact SD-CB 3.96Å; M403-Q525 PolarHBondContact SD-N 2.95Å; M403-Q525 VanDerWaalsContact SD-N 3.39Å; H481-Q525 PolarHBondContact CD2-NE2 3.09Å; H481-Q525 PolarHBondContact CE1-NE2 3.23Å; H481-Q525 PolarHBondContact ND1-NE2 3.41Å; H481-Q525 VanDerWaalsContact ND1-NE2 3.12Å; H481-Q525 VanDerWaalsContact NE2-CG 3.35Å; H481-Q525 WeakPolarHBondContact NE2-CG 3.45Å; F483-Q525 PolarHBondContact O-NE2 3.29Å; F483-Q525 VanDerWaalsContact O-NE2 3.13Å; E511-Q525 HydrophobicContact CB-CB 4.4Å; E511-Q525 PolarHBondContact O-N 3.37Å
526Y97.3Very high95.1Very high0 Ų028 Ų280%014%0.143CC..SBendtrans-76.1174172.754.3-97.1000111.9Y469 E477 R478 I512 V524 P528 P540Y469-Y526 WeakPolarHBondContact CE2-OH 3.35Å; Y469-Y526 PolarHBondContact OH-OH 2.73Å; E477-Y526 HydrophobicContact CB-CD1 4.03Å; E477-Y526 HydrophobicContact CB-CD2 3.36Å; E477-Y526 HydrophobicContact CB-CE2 3.91Å; E477-Y526 HydrophobicContact CB-CG 3.43Å; E477-Y526 VanDerWaalsContact CB-CG 3.43Å; E477-Y526 HydrophobicContact CG-CD1 4.4Å; E477-Y526 HydrophobicContact CG-CD2 3.56Å; E477-Y526 HydrophobicContact CG-CE1 4.39Å; E477-Y526 HydrophobicContact CG-CE2 3.53Å; E477-Y526 HydrophobicContact CG-CG 4.01Å; R478-Y526 WeakPolarHBondContact O-CA 3.42Å; R478-Y526 WeakPolarHBondContact O-CB 3.32Å; I512-Y526 HydrophobicContact CD1-CE1 4.01Å; I512-Y526 HydrophobicContact CG1-CE1 3.8Å; V524-Y526 HydrophobicContact CB-CD1 4.18Å; V524-Y526 HydrophobicContact CB-CD2 4.27Å; V524-Y526 HydrophobicContact CB-CE1 3.85Å; V524-Y526 HydrophobicContact CB-CE2 3.96Å; V524-Y526 HydrophobicContact CB-CG 4.37Å; V524-Y526 HydrophobicContact CG1-CE1 3.99Å; V524-Y526 HydrophobicContact CG1-CE2 4.12Å; V524-Y526 HydrophobicContact CG2-CD2 4.23Å; V524-Y526 HydrophobicContact CG2-CE2 4.06Å; Y526-P528 HydrophobicContact CD2-CB 4.19Å; Y526-P528 HydrophobicContact CD2-CG 4.23Å; Y526-P528 HydrophobicContact CE2-CB 3.94Å; Y526-P528 HydrophobicContact CE2-CG 4.12Å; Y526-P528 WeakPolarHBondContact O-CD 3.47Å; Y526-P540 HydrophobicContact CE2-CG 4.36Å
527H97.4Very high95.1Very high17 Ų1725.2 Ų25.28%0.07913%0.129CC..  trans-105.987.4177.4-75.2-91.1000111C400 R478 E529 F530C400-H527 WeakPolarHBondContact CB-NE2 3.34Å; R478-H527 PolarHBondContact O-N 3.39Å; H527-E529 IonicContact CE1-OE1 3.92Å; H527-E529 IonicContact CG-OE1 2.95Å; H527-E529 IonicContact ND1-OE1 2.67Å; H527-E529 PolarHBondContact ND1-OE1 3.5Å; H527-E529 PolarHBondContact O-N 3.05Å; H527-E529 VanDerWaalsContact O-N 3.16Å; H527-F530 HydrophobicContact CB-CD2 3.43Å; H527-F530 VanDerWaalsContact CB-CD2 3.43Å; H527-F530 HydrophobicContact CB-CE2 3.36Å; H527-F530 HydrophobicContact CB-CG 4.29Å; H527-F530 HydrophobicContact CB-CZ 4.16Å; H527-F530 AromaticContact CG-CE2 3.69Å; H527-F530 PolarHBondContact O-N 3.26Å
528P96.6Very high95.4Very high0 Ų018.3 Ų18.30%09%0.092CC..THydrogen-bonded Turntrans-64.7-15.1-178.818.4-25.9000114.9V399 V524 Y526 F530 T531 S538 P540 Y541V399-P528 HydrophobicContact CG2-CG 4.33Å; V524-P528 HydrophobicContact CG2-CG 3.78Å; Y526-P528 HydrophobicContact CD2-CB 4.19Å; Y526-P528 HydrophobicContact CD2-CG 4.23Å; Y526-P528 HydrophobicContact CE2-CB 3.94Å; Y526-P528 HydrophobicContact CE2-CG 4.12Å; Y526-P528 WeakPolarHBondContact O-CD 3.47Å; P528-F530 VanDerWaalsContact C-N 3.3Å; P528-F530 PolarHBondContact O-N 2.83Å; P528-T531 PolarHBondContact O-OG1 3Å; P528-S538 VanDerWaalsContact CB-OG 3.22Å; P528-S538 WeakPolarHBondContact CB-OG 3.24Å; P528-S538 VanDerWaalsContact O-CB 3.24Å; P528-S538 WeakPolarHBondContact O-CB 3.37Å; P528-S538 PolarHBondContact O-OG 2.88Å; P528-P540 HydrophobicContact CB-CB 4.37Å; P528-P540 HydrophobicContact CB-CG 3.72Å; P528-P540 HydrophobicContact CG-CB 4.22Å; P528-P540 HydrophobicContact CG-CG 3.96Å; P528-Y541 HydrophobicContact CB-CD2 4.13Å; P528-Y541 HydrophobicContact CB-CE2 3.93Å; P528-Y541 HydrophobicContact CG-CD2 4.16Å; P528-Y541 HydrophobicContact CG-CE2 3.64Å
529E96.6Very high95.4Very high2 Ų218.7 Ų18.71%0.00910%0.096CC..THydrogen-bonded Turntrans-69.5-25.7-179.854.6-89-157.100113.6R77 V318 A321 H527 Y541R77-E529 PolarHBondContact NH2-O 3.07Å; V318-E529 HydrophobicContact CG2-CB 4.38Å; V318-E529 HydrophobicContact CG2-CG 4.06Å; A321-E529 HydrophobicContact CB-CB 4.01Å; H527-E529 IonicContact CE1-OE1 3.92Å; H527-E529 IonicContact CG-OE1 2.95Å; H527-E529 IonicContact ND1-OE1 2.67Å; H527-E529 PolarHBondContact ND1-OE1 3.5Å; H527-E529 PolarHBondContact O-N 3.05Å; H527-E529 VanDerWaalsContact O-N 3.16Å; E529-Y541 HydrophobicContact CB-CE2 3.94Å; E529-Y541 PolarHBondContact OE2-OH 3.05Å
530F95.9Very high95.5Very high3 Ų316.4 Ų16.41%0.0138%0.081CC..THydrogen-bonded Turntrans-75.3-29.6-178.7-60-34.6000112.5V59 F60 V61 R478 H527 P528 R533V59-F530 WeakPolarHBondContact O-CZ 3.35Å; F60-F530 AromaticContact CD2-CD1 3.45Å; F60-F530 HydrophobicContact CD2-CD1 3.45Å; F60-F530 VanDerWaalsContact CD2-CD1 3.45Å; F60-F530 AromaticContact CD2-CE1 3.93Å; F60-F530 HydrophobicContact CD2-CE1 3.93Å; F60-F530 HydrophobicContact CD2-CG 4.24Å; F60-F530 HydrophobicContact CE2-CB 3.9Å; F60-F530 AromaticContact CE2-CD1 3.54Å; F60-F530 HydrophobicContact CE2-CD1 3.54Å; F60-F530 HydrophobicContact CE2-CE1 4.45Å; F60-F530 HydrophobicContact CE2-CG 4.05Å; F60-F530 HydrophobicContact CG-CD1 4.33Å; F60-F530 HydrophobicContact CZ-CB 4.13Å; F60-F530 HydrophobicContact CZ-CD1 4.48Å; V61-F530 HydrophobicContact CB-CD2 3.86Å; V61-F530 HydrophobicContact CB-CE2 3.66Å; V61-F530 HydrophobicContact CB-CZ 4.42Å; V61-F530 HydrophobicContact CG2-CD2 4.31Å; V61-F530 HydrophobicContact CG2-CE2 3.59Å; V61-F530 HydrophobicContact CG2-CZ 4.08Å; R478-F530 HydrophobicContact CB-CD2 4.14Å; H527-F530 HydrophobicContact CB-CD2 3.43Å; H527-F530 VanDerWaalsContact CB-CD2 3.43Å; H527-F530 HydrophobicContact CB-CE2 3.36Å; H527-F530 HydrophobicContact CB-CG 4.29Å; H527-F530 HydrophobicContact CB-CZ 4.16Å; H527-F530 AromaticContact CG-CE2 3.69Å; H527-F530 PolarHBondContact O-N 3.26Å; P528-F530 VanDerWaalsContact C-N 3.3Å; P528-F530 PolarHBondContact O-N 2.83Å; F530-R533 PolarHBondContact O-NH1 2.99Å
531T94.6Very high95.5Very high31 Ų3116.4 Ų16.419%0.198%0.081CC..THydrogen-bonded Turntrans-92.2-6.718055.70000113E477 R478 P528 R533E477-T531 WeakPolarHBondContact OE2-CB 3.25Å; E477-T531 WeakPolarHBondContact OE2-CG2 3.36Å; E477-T531 PolarHBondContact OE2-OG1 3.48Å; R478-T531 HydrophobicContact CG-CG2 4.48Å; P528-T531 PolarHBondContact O-OG1 3Å; T531-R533 PolarHBondContact O-N 3.43Å
532S95.9Very high95.5Very high0 Ų016.7 Ų16.70%08%0.083CC..  trans-64.8132.7176.7-163.30000111.8R77 A321 H324 S538R77-S532 WeakPolarHBondContact CG-O 3.41Å; A321-S532 WeakPolarHBondContact CA-OG 3.04Å; H324-S532 PolarHBondContact ND1-OG 3.42Å; S532-S538 PolarHBondContact OG-N 2.94Å
533R93.1Very high95.4Very high17 Ų1716.7 Ų16.76%0.0648%0.083CC..  trans-123.5155.1174.2-55.1-65.2-176.8-107.610.4110.3E76 D80 I81 H324 F530 T531 I535 K536E76-R533 WeakPolarHBondContact O-CD 3.35Å; E76-R533 PolarHBondContact O-NE 3.44Å; E76-R533 IonicContact OE2-CZ 3.66Å; E76-R533 IonicContact OE2-NH1 3.93Å; E76-R533 IonicContact OE2-NH2 3.71Å; E76-R533 PolarHBondContact OE2-NH2 3.47Å; D80-R533 IonicContact OD1-NE 3.95Å; I81-R533 PolarHBondContact O-NH2 2.75Å; H324-R533 VanDerWaalsContact ND1-C 3.29Å; H324-R533 PolarHBondContact ND1-O 3.05Å; F530-R533 PolarHBondContact O-NH1 2.99Å; T531-R533 PolarHBondContact O-N 3.43Å; R533-I535 VanDerWaalsContact C-N 3.29Å; R533-I535 PolarHBondContact O-N 3.31Å; R533-K536 HydrophobicContact CB-CB 4.19Å; R533-K536 PolarHBondContact N-O 2.94Å; R533-K536 CarbonylContact O-C 3.54Å; R533-K536 PolarHBondContact O-N 3.17Å
534P88.1Confident95.4Very high6 Ų616.7 Ų16.74%0.0398%0.083CC..SBendtrans-58.8-37.2-178.6-24.233.4000114.2R77 Y252 M289R77-P534 VanDerWaalsContact O-CD 3.26Å; R77-P534 WeakPolarHBondContact O-CD 3.22Å; Y252-P534 HydrophobicContact CD1-CB 4.44Å; Y252-P534 HydrophobicContact CD1-CG 4.31Å; Y252-P534 HydrophobicContact CE1-CB 3.85Å; Y252-P534 HydrophobicContact CE1-CG 3.52Å; M289-P534 HydrophobicContact CE-CB 3.94Å; M289-P534 HydrophobicContact SD-CB 3.31Å; M289-P534 WeakPolarHBondContact SD-CB 3.18Å
535I86.1Confident95.4Very high56 Ų5616.7 Ų16.729%0.2878%0.083SC..SBendtrans-93.1-19.3-179.6-59.4169.1000111.5K285 M289 R533 Y568K285-I535 HydrophobicContact CB-CD1 3.94Å; M289-I535 HydrophobicContact CE-CG1 4.37Å; M289-I535 HydrophobicContact SD-CG1 4.21Å; R533-I535 VanDerWaalsContact C-N 3.29Å; R533-I535 PolarHBondContact O-N 3.31Å; I535-Y568 HydrophobicContact CG2-CD2 4.06Å; I535-Y568 HydrophobicContact CG2-CE1 4.5Å; I535-Y568 HydrophobicContact CG2-CE2 3.79Å
536K89.8Confident95.4Very high158 Ų15816.8 Ų16.869%0.6878%0.083SC*.SBendtrans-128.579.7179.6-172.7-178.7178.9-179.80108.8R533R533-K536 HydrophobicContact CB-CB 4.19Å; R533-K536 PolarHBondContact N-O 2.94Å; R533-K536 CarbonylContact O-C 3.54Å; R533-K536 PolarHBondContact O-N 3.17Å
537P94.4Very high95.4Very high18 Ų1817.5 Ų17.512%0.1179%0.089CC..  trans-63.3151.1-178.728.7-37.1000110.7H324 A328 L542H324-P537 HydrophobicContact CB-CB 4.04Å; A328-P537 HydrophobicContact CB-CG 3.84Å; P537-L542 HydrophobicContact CG-CD1 4.44Å; P537-L542 HydrophobicContact CG-CD2 4.22Å
538S96.4Very high95.4Very high2 Ų217.5 Ų17.51%0.0149%0.093CC..  trans-65.9128.8179-176.30000111.7P528 S532 P540 Y541 L542P528-S538 VanDerWaalsContact CB-OG 3.22Å; P528-S538 WeakPolarHBondContact CB-OG 3.24Å; P528-S538 VanDerWaalsContact O-CB 3.24Å; P528-S538 WeakPolarHBondContact O-CB 3.37Å; P528-S538 PolarHBondContact O-OG 2.88Å; S532-S538 PolarHBondContact OG-N 2.94Å; S538-P540 WeakPolarHBondContact OG-CD 3.33Å; S538-Y541 PolarHBondContact O-N 2.88Å; S538-Y541 VanDerWaalsContact O-N 3.15Å; S538-L542 PolarHBondContact O-N 2.92Å
539P96.8Very high95.3Very high26 Ų2618.9 Ų18.917%0.16910%0.104CC..Hα-helixtrans-57.3-42.7-173.2-28.938.6000115.9L468 Y469 Y541 L542 G543L468-P539 HydrophobicContact CB-CB 4.04Å; Y469-P539 HydrophobicContact CD1-CB 4.05Å; Y469-P539 HydrophobicContact CD1-CG 3.62Å; Y469-P539 HydrophobicContact CD2-CB 4.24Å; Y469-P539 HydrophobicContact CE1-CB 3.96Å; Y469-P539 HydrophobicContact CE1-CG 3.53Å; Y469-P539 HydrophobicContact CE2-CB 4.15Å; Y469-P539 HydrophobicContact CG-CB 4.19Å; Y469-P539 HydrophobicContact CG-CG 4.22Å; P539-Y541 VanDerWaalsContact C-N 3.32Å; P539-Y541 PolarHBondContact O-N 3.1Å; P539-L542 PolarHBondContact O-N 2.91Å; P539-G543 PolarHBondContact O-N 3.06Å
540P97.9Very high95.2Very high0 Ų022.1 Ų22.10%014%0.138CC..Hα-helixtrans-62.1-36.8176.1-19.328.7000113.5L397 M465 Y469 Y520 Y526 P528 S538 L544L397-P540 HydrophobicContact CD1-CB 3.97Å; L397-P540 HydrophobicContact CD2-CB 4.1Å; M465-P540 HydrophobicContact CE-CB 3.86Å; M465-P540 HydrophobicContact CE-CG 3.48Å; M465-P540 VanDerWaalsContact CE-CG 3.48Å; M465-P540 HydrophobicContact SD-CB 4.47Å; Y469-P540 HydrophobicContact CE2-CG 4.44Å; Y520-P540 WeakPolarHBondContact OH-CA 3.36Å; Y520-P540 PolarHBondContact OH-O 3.41Å; Y526-P540 HydrophobicContact CE2-CG 4.36Å; P528-P540 HydrophobicContact CB-CB 4.37Å; P528-P540 HydrophobicContact CB-CG 3.72Å; P528-P540 HydrophobicContact CG-CB 4.22Å; P528-P540 HydrophobicContact CG-CG 3.96Å; S538-P540 WeakPolarHBondContact OG-CD 3.33Å; P540-L544 PolarHBondContact O-N 3.35Å; P540-L544 VanDerWaalsContact O-N 3.15Å
541Y98.4Very high95.1Very high0 Ų025.9 Ų25.90%015%0.154CC..Hα-helixtrans-73.9-40177.6-73.9-88.6000111.4V318 A321 L322 S325 L369 L397 P528 E529 S538 P539 G543 L544 L545V318-Y541 HydrophobicContact CG1-CE1 4.03Å; A321-Y541 HydrophobicContact CB-CD1 4.01Å; A321-Y541 HydrophobicContact CB-CD2 3.74Å; A321-Y541 HydrophobicContact CB-CE1 4.14Å; A321-Y541 HydrophobicContact CB-CE2 3.83Å; A321-Y541 HydrophobicContact CB-CG 3.83Å; L322-Y541 HydrophobicContact CD2-CD1 3.67Å; L322-Y541 HydrophobicContact CD2-CE1 4.2Å; L322-Y541 HydrophobicContact CG-CD1 3.89Å; L322-Y541 HydrophobicContact CG-CE1 4.12Å; S325-Y541 WeakPolarHBondContact OG-CB 3.43Å; L369-Y541 HydrophobicContact CD1-CE1 4.2Å; L369-Y541 HydrophobicContact CD2-CE1 3.92Å; L397-Y541 HydrophobicContact CD2-CD1 4.14Å; L397-Y541 HydrophobicContact CD2-CD2 4.41Å; L397-Y541 HydrophobicContact CD2-CE1 4.23Å; L397-Y541 HydrophobicContact CD2-CG 4.23Å; P528-Y541 HydrophobicContact CB-CD2 4.13Å; P528-Y541 HydrophobicContact CB-CE2 3.93Å; P528-Y541 HydrophobicContact CG-CD2 4.16Å; P528-Y541 HydrophobicContact CG-CE2 3.64Å; E529-Y541 HydrophobicContact CB-CE2 3.94Å; E529-Y541 PolarHBondContact OE2-OH 3.05Å; S538-Y541 PolarHBondContact O-N 2.88Å; S538-Y541 VanDerWaalsContact O-N 3.15Å; P539-Y541 VanDerWaalsContact C-N 3.32Å; P539-Y541 PolarHBondContact O-N 3.1Å; Y541-G543 VanDerWaalsContact C-N 3.33Å; Y541-G543 PolarHBondContact O-N 3.06Å; Y541-L544 PolarHBondContact O-N 2.94Å; Y541-L545 WeakPolarHBondContact O-CD2 3.43Å; Y541-L545 PolarHBondContact O-N 3.47Å
542L97.6Very high95Very high10 Ų1024.7 Ų24.75%0.05215%0.147CC..Hα-helixtrans-61.6-42.8174.3-178.863.1000111.2S325 A328 I329 P537 S538 P539 L544 L545 L546 Y555S325-L542 PolarHBondContact OG-N 2.73Å; A328-L542 HydrophobicContact CB-CD1 4.2Å; I329-L542 HydrophobicContact CG2-CD1 3.83Å; P537-L542 HydrophobicContact CG-CD1 4.44Å; P537-L542 HydrophobicContact CG-CD2 4.22Å; S538-L542 PolarHBondContact O-N 2.92Å; P539-L542 PolarHBondContact O-N 2.91Å; L542-L544 PolarHBondContact O-N 3.13Å; L542-L545 PolarHBondContact O-N 3.41Å; L542-L546 HydrophobicContact CD1-CD1 4.15Å; L542-L546 HydrophobicContact CD1-CG 4.19Å; L542-L546 HydrophobicContact CD2-CD1 4.46Å; L542-L546 HydrophobicContact CG-CD1 3.84Å; L542-L546 HydrophobicContact CG-CG 4.34Å; L542-L546 VanDerWaalsContact O-CB 3.31Å; L542-L546 WeakPolarHBondContact O-CB 3.43Å; L542-L546 VanDerWaalsContact O-CG 3.28Å; L542-L546 WeakPolarHBondContact O-CG 3.43Å; L542-L546 PolarHBondContact O-N 3.11Å; L542-Y555 HydrophobicContact CD2-CE1 4.48Å
543G97.4Very high94.8Very high0 Ų030 Ų300%017%0.171CC..Hα-helixtrans-57.7-46.5174.700000112.6P539 Y541 L546 A547P539-G543 PolarHBondContact O-N 3.06Å; Y541-G543 VanDerWaalsContact C-N 3.33Å; Y541-G543 PolarHBondContact O-N 3.06Å; G543-L546 PolarHBondContact O-N 3.15Å; G543-A547 VanDerWaalsContact O-CB 3.31Å; G543-A547 WeakPolarHBondContact O-CB 3.36Å; G543-A547 PolarHBondContact O-N 3.34Å
544L98.4Very high94.6Very high0 Ų030.7 Ų30.70%018%0.184CC..Hα-helixtrans-59-49.5176.9179.767.7000111.8I302 L322 L369 P395 L397 Y520 P540 Y541 L542 A547 A548I302-L544 HydrophobicContact CD1-CD2 4.36Å; I302-L544 HydrophobicContact CD1-CG 4.31Å; I302-L544 HydrophobicContact CG2-CD2 4.29Å; L322-L544 HydrophobicContact CD2-CD2 4.28Å; L369-L544 HydrophobicContact CB-CD2 4.33Å; P395-L544 HydrophobicContact CB-CD1 3.96Å; L397-L544 HydrophobicContact CB-CB 4.44Å; L397-L544 HydrophobicContact CB-CD1 4.2Å; L397-L544 HydrophobicContact CB-CD2 3.93Å; L397-L544 HydrophobicContact CB-CG 4.42Å; L397-L544 HydrophobicContact CD2-CD2 4.42Å; Y520-L544 HydrophobicContact CD1-CB 4.35Å; Y520-L544 HydrophobicContact CD1-CD1 4.05Å; Y520-L544 HydrophobicContact CE1-CB 3.84Å; Y520-L544 HydrophobicContact CE1-CD1 4.18Å; P540-L544 PolarHBondContact O-N 3.35Å; P540-L544 VanDerWaalsContact O-N 3.15Å; Y541-L544 PolarHBondContact O-N 2.94Å; L542-L544 PolarHBondContact O-N 3.13Å; L544-A547 PolarHBondContact O-N 3.28Å; L544-A548 WeakPolarHBondContact O-CB 3.42Å; L544-A548 PolarHBondContact O-N 3.34Å
545L97.4Very high94.8Very high0 Ų031.7 Ų31.70%019%0.187CC..Hα-helixtrans-67.9-40-178.2-91.2-61.9000112C300 I302 L322 I329 L333 Y541 L542 A547 A548 A549C300-L545 HydrophobicContact CB-CD1 4.07Å; C300-L545 VanDerWaalsContact SG-CD1 3.51Å; I302-L545 HydrophobicContact CD1-CD1 4.24Å; I302-L545 HydrophobicContact CD1-CD2 4.41Å; I302-L545 HydrophobicContact CG1-CD1 4.08Å; I302-L545 HydrophobicContact CG1-CD2 4.27Å; L322-L545 HydrophobicContact CD2-CD2 3.5Å; I329-L545 HydrophobicContact CD1-CB 3.93Å; I329-L545 HydrophobicContact CD1-CD1 4.48Å; L333-L545 HydrophobicContact CD1-CD1 4.25Å; Y541-L545 WeakPolarHBondContact O-CD2 3.43Å; Y541-L545 PolarHBondContact O-N 3.47Å; L542-L545 PolarHBondContact O-N 3.41Å; L545-A547 VanDerWaalsContact C-N 3.31Å; L545-A547 PolarHBondContact O-N 3.36Å; L545-A548 PolarHBondContact O-N 2.79Å; L545-A549 WeakPolarHBondContact O-CB 3.1Å; L545-A549 PolarHBondContact O-N 3.49Å
546L96.9Very high95Very high6 Ų630.4 Ų30.43%0.03118%0.181CC..Hα-helixtrans-62.5-39173.5-77.8170.2000111.8I329 L542 G543 G550 K551 L552 Y555I329-L546 HydrophobicContact CG2-CD2 3.57Å; I329-L546 HydrophobicContact CG2-CG 3.97Å; L542-L546 HydrophobicContact CD1-CD1 4.15Å; L542-L546 HydrophobicContact CD1-CG 4.19Å; L542-L546 HydrophobicContact CD2-CD1 4.46Å; L542-L546 HydrophobicContact CG-CD1 3.84Å; L542-L546 HydrophobicContact CG-CG 4.34Å; L542-L546 VanDerWaalsContact O-CB 3.31Å; L542-L546 WeakPolarHBondContact O-CB 3.43Å; L542-L546 VanDerWaalsContact O-CG 3.28Å; L542-L546 WeakPolarHBondContact O-CG 3.43Å; L542-L546 PolarHBondContact O-N 3.11Å; G543-L546 PolarHBondContact O-N 3.15Å; L546-G550 PolarHBondContact O-N 3.23Å; L546-K551 HydrophobicContact CD2-CB 3.9Å; L546-K551 PolarHBondContact O-N 3.41Å; L546-L552 HydrophobicContact CB-CB 3.99Å; L546-L552 HydrophobicContact CB-CD1 4.11Å; L546-L552 HydrophobicContact CD1-CD1 4.27Å; L546-L552 PolarHBondContact O-N 2.79Å; L546-Y555 HydrophobicContact CD1-CD1 3.47Å; L546-Y555 VanDerWaalsContact CD1-CD1 3.47Å; L546-Y555 HydrophobicContact CD1-CD2 4.08Å; L546-Y555 HydrophobicContact CD1-CE1 3.91Å; L546-Y555 HydrophobicContact CD1-CE2 4.45Å; L546-Y555 HydrophobicContact CD1-CG 3.55Å; L546-Y555 HydrophobicContact CD2-CG 4.41Å
547A97.3Very high94.9Very high15 Ų1530.5 Ų30.512%0.12418%0.184CC..Hα-helixtrans-69-44.3177.400000111.5P395 Y520 G543 L544 L545 A549 G550 L552P395-A547 HydrophobicContact CB-CB 3.81Å; P395-A547 HydrophobicContact CG-CB 3.78Å; Y520-A547 VanDerWaalsContact CB-CB 3.45Å; Y520-A547 HydrophobicContact CD2-CB 4.43Å; Y520-A547 HydrophobicContact CG-CB 3.92Å; G543-A547 VanDerWaalsContact O-CB 3.31Å; G543-A547 WeakPolarHBondContact O-CB 3.36Å; G543-A547 PolarHBondContact O-N 3.34Å; L544-A547 PolarHBondContact O-N 3.28Å; L545-A547 VanDerWaalsContact C-N 3.31Å; L545-A547 PolarHBondContact O-N 3.36Å; A547-A549 VanDerWaalsContact C-N 3.28Å; A547-A549 PolarHBondContact O-N 3.01Å; A547-G550 PolarHBondContact O-N 3.21Å; A547-L552 HydrophobicContact CB-CB 4.33Å; A547-L552 HydrophobicContact CB-CD2 4.02Å
548A96.9Very high94.4Very high18 Ų1836.2 Ų36.215%0.14921%0.207CC..Hα-helixtrans-60.3-37.8175.700000112C300 I302 D366 L544 L545 G550C300-A548 VanDerWaalsContact SG-CB 3.57Å; I302-A548 HydrophobicContact CD1-CB 3.96Å; D366-A548 HydrophobicContact CB-CB 3.88Å; L544-A548 WeakPolarHBondContact O-CB 3.42Å; L544-A548 PolarHBondContact O-N 3.34Å; L545-A548 PolarHBondContact O-N 2.79Å; A548-G550 VanDerWaalsContact C-N 3.31Å; A548-G550 PolarHBondContact O-N 2.73Å
549A94.9Very high93.7Very high29 Ų2938.7 Ų38.724%0.2423%0.232CC..THydrogen-bonded Turntrans-82.40.6175.300000114.5I329 L545 A547 K551I329-A549 HydrophobicContact CD1-CB 4.16Å; L545-A549 WeakPolarHBondContact O-CB 3.1Å; L545-A549 PolarHBondContact O-N 3.49Å; A547-A549 VanDerWaalsContact C-N 3.28Å; A547-A549 PolarHBondContact O-N 3.01Å; A549-K551 HydrophobicContact CB-CD 4.18Å; A549-K551 HydrophobicContact CB-CG 4.39Å; A549-K551 PolarHBondContact O-N 3.12Å
550G94.3Very high93Very high70 Ų7038.9 Ų38.972%0.72223%0.234SC*.THydrogen-bonded Turntrans67.216.7-17700000115L546 A547 A548L546-G550 PolarHBondContact O-N 3.23Å; A547-G550 PolarHBondContact O-N 3.21Å; A548-G550 VanDerWaalsContact C-N 3.31Å; A548-G550 PolarHBondContact O-N 2.73Å
551K93.6Very high91.7Very high82 Ų8248 Ų4836%0.35727%0.269SS..  trans-102.1-7.3-174.6-70.8170.7-177169.30113.8E298 H331 L546 A549 Q553 G554 Y555E298-K551 IonicContact OE2-NZ 3.08Å; E298-K551 PolarHBondContact OE2-NZ 3.45Å; H331-K551 PolarHBondContact CE1-NZ 3Å; H331-K551 PolarHBondContact NE2-NZ 2.79Å; H331-K551 VanDerWaalsContact NE2-NZ 3.15Å; L546-K551 HydrophobicContact CD2-CB 3.9Å; L546-K551 PolarHBondContact O-N 3.41Å; A549-K551 HydrophobicContact CB-CD 4.18Å; A549-K551 HydrophobicContact CB-CG 4.39Å; A549-K551 PolarHBondContact O-N 3.12Å; K551-Q553 PolarHBondContact O-N 2.94Å; K551-G554 PolarHBondContact O-N 3.35Å; K551-Y555 PolarHBondContact O-N 3.25Å
552L94.2Very high90.2Very high6 Ų649.8 Ų49.83%0.03128%0.278CS..Hα-helixtrans-57.3-50.5-175.1-179.262.3000113.8I464 L468 Y520 L546 A547 G554 Y555 L556I464-L552 HydrophobicContact CG2-CD2 4.31Å; L468-L552 HydrophobicContact CD2-CD1 4.17Å; Y520-L552 HydrophobicContact CD2-CD2 3.8Å; L546-L552 HydrophobicContact CB-CB 3.99Å; L546-L552 HydrophobicContact CB-CD1 4.11Å; L546-L552 HydrophobicContact CD1-CD1 4.27Å; L546-L552 PolarHBondContact O-N 2.79Å; A547-L552 HydrophobicContact CB-CB 4.33Å; A547-L552 HydrophobicContact CB-CD2 4.02Å; L552-G554 VanDerWaalsContact C-N 3.33Å; L552-G554 PolarHBondContact O-N 3.02Å; L552-Y555 WeakPolarHBondContact O-CB 3.07Å; L552-Y555 PolarHBondContact O-N 3.5Å; L552-Y555 VanDerWaalsContact O-N 3.1Å; L552-L556 HydrophobicContact CD1-CD1 4.18Å; L552-L556 HydrophobicContact CD1-CD2 4.48Å; L552-L556 HydrophobicContact CD1-CG 4.12Å; L552-L556 HydrophobicContact CG-CD1 4.09Å; L552-L556 HydrophobicContact CG-CG 4.41Å; L552-L556 WeakPolarHBondContact O-CG 3.46Å; L552-L556 PolarHBondContact O-N 2.63Å
553Q90.7Very high87.9Confident110 Ų11051.3 Ų51.351%0.51429%0.29SS..Hα-helixtrans-63-41.4-177.4-66.3-60.3-26.200112K551 Y555 L556 Q557K551-Q553 PolarHBondContact O-N 2.94Å; Q553-Y555 VanDerWaalsContact C-N 3.29Å; Q553-Y555 PolarHBondContact O-N 3.35Å; Q553-L556 PolarHBondContact O-N 3.39Å; Q553-Q557 WeakPolarHBondContact O-CB 3.36Å; Q553-Q557 VanDerWaalsContact O-CG 3.28Å; Q553-Q557 WeakPolarHBondContact O-CG 3.37Å; Q553-Q557 PolarHBondContact O-N 3.2Å
554G90Very high85.3Confident32 Ų3257.1 Ų57.133%0.3333%0.327SS..Hα-helixtrans-65.6-30.6175.200000113.3K551 L552 K558K551-G554 PolarHBondContact O-N 3.35Å; L552-G554 VanDerWaalsContact C-N 3.33Å; L552-G554 PolarHBondContact O-N 3.02Å; G554-K558 WeakPolarHBondContact O-CD 3.32Å; G554-K558 VanDerWaalsContact O-CG 3.25Å; G554-K558 WeakPolarHBondContact O-CG 3.23Å; G554-K558 PolarHBondContact O-N 3.18Å
555Y91.4Very high82.8Confident28 Ų2868.3 Ų68.311%0.1137%0.369CS..Hα-helixtrans-70.4-46.5174.2-179.4-102000112.1L468 L542 L546 K551 L552 Q553 Q557 K558 C560 R561 L562L468-Y555 HydrophobicContact CD2-CD1 4.13Å; L468-Y555 HydrophobicContact CD2-CE1 3.87Å; L542-Y555 HydrophobicContact CD2-CE1 4.48Å; L546-Y555 HydrophobicContact CD1-CD1 3.47Å; L546-Y555 VanDerWaalsContact CD1-CD1 3.47Å; L546-Y555 HydrophobicContact CD1-CD2 4.08Å; L546-Y555 HydrophobicContact CD1-CE1 3.91Å; L546-Y555 HydrophobicContact CD1-CE2 4.45Å; L546-Y555 HydrophobicContact CD1-CG 3.55Å; L546-Y555 HydrophobicContact CD2-CG 4.41Å; K551-Y555 PolarHBondContact O-N 3.25Å; L552-Y555 WeakPolarHBondContact O-CB 3.07Å; L552-Y555 PolarHBondContact O-N 3.5Å; L552-Y555 VanDerWaalsContact O-N 3.1Å; Q553-Y555 VanDerWaalsContact C-N 3.29Å; Q553-Y555 PolarHBondContact O-N 3.35Å; Y555-Q557 PolarHBondContact O-N 3.29Å; Y555-K558 PolarHBondContact O-N 3.29Å; Y555-C560 HydrophobicContact CD1-CB 4.43Å; Y555-C560 HydrophobicContact CE1-CB 3.71Å; Y555-C560 VanDerWaalsContact CZ-C 3.44Å; Y555-C560 PolarHBondContact O-N 3.11Å; Y555-C560 VanDerWaalsContact O-N 3.12Å; Y555-C560 PolarHBondContact OH-O 2.94Å; Y555-R561 VanDerWaalsContact CE2-C 3.48Å; Y555-L562 HydrophobicContact CD2-CD2 4.07Å; Y555-L562 HydrophobicContact CE2-CB 4.47Å; Y555-L562 HydrophobicContact CE2-CD2 3.58Å; Y555-L562 HydrophobicContact CE2-CG 3.8Å
556L89.9Confident80.4Confident28 Ų2870.3 Ų70.315%0.14738%0.38CS..Hα-helixtrans-62.7-41.6178-65.4176.2000111.5I464 K467 L468 L552 Q553 K558 G559I464-L556 HydrophobicContact CG2-CD1 4.5Å; K467-L556 HydrophobicContact CB-CD2 3.82Å; K467-L556 HydrophobicContact CD-CD2 4.4Å; L468-L556 HydrophobicContact CD2-CD2 4.15Å; L468-L556 HydrophobicContact CG-CD2 4.46Å; L552-L556 HydrophobicContact CD1-CD1 4.18Å; L552-L556 HydrophobicContact CD1-CD2 4.48Å; L552-L556 HydrophobicContact CD1-CG 4.12Å; L552-L556 HydrophobicContact CG-CD1 4.09Å; L552-L556 HydrophobicContact CG-CG 4.41Å; L552-L556 WeakPolarHBondContact O-CG 3.46Å; L552-L556 PolarHBondContact O-N 2.63Å; Q553-L556 PolarHBondContact O-N 3.39Å; L556-K558 VanDerWaalsContact C-N 3.26Å; L556-K558 PolarHBondContact O-N 3.36Å; L556-G559 PolarHBondContact O-N 3.23Å; L556-G559 VanDerWaalsContact O-N 3.16Å
557Q87.6Confident77.8Confident161 Ų16173 Ų7375%0.75240%0.397SS*.Hα-helixtrans-64.7-27.9177.7-73.4173.52.200113.6Q553 Y555 G559Q553-Q557 WeakPolarHBondContact O-CB 3.36Å; Q553-Q557 VanDerWaalsContact O-CG 3.28Å; Q553-Q557 WeakPolarHBondContact O-CG 3.37Å; Q553-Q557 PolarHBondContact O-N 3.2Å; Y555-Q557 PolarHBondContact O-N 3.29Å; Q557-G559 PolarHBondContact O-N 3.47Å
558K85.1Confident75.4Confident137 Ų13773.7 Ų73.760%0.59640%0.396SS*.THydrogen-bonded Turntrans-85.210.2177.6-70.1174-174.31770113.2G554 Y555 L556G554-K558 WeakPolarHBondContact O-CD 3.32Å; G554-K558 VanDerWaalsContact O-CG 3.25Å; G554-K558 WeakPolarHBondContact O-CG 3.23Å; G554-K558 PolarHBondContact O-N 3.18Å; Y555-K558 PolarHBondContact O-N 3.29Å; L556-K558 VanDerWaalsContact C-N 3.26Å; L556-K558 PolarHBondContact O-N 3.36Å
559G81.3Confident72.4Confident54 Ų5477.6 Ų77.656%0.55742%0.423SS*.THydrogen-bonded Turntrans71.439.3-179.200000112.9L556 Q557 R561L556-G559 PolarHBondContact O-N 3.23Å; L556-G559 VanDerWaalsContact O-N 3.16Å; Q557-G559 PolarHBondContact O-N 3.47Å; G559-R561 PolarHBondContact O-N 2.99Å
560C82.2Confident69.6Low31 Ų3182.2 Ų82.221%0.20944%0.443CS..SBendtrans57.336.3176.4-59.80000113.8K467 Y555K467-C560 PolarHBondContact O-SG 3.48Å; Y555-C560 HydrophobicContact CD1-CB 4.43Å; Y555-C560 HydrophobicContact CE1-CB 3.71Å; Y555-C560 VanDerWaalsContact CZ-C 3.44Å; Y555-C560 PolarHBondContact O-N 3.11Å; Y555-C560 VanDerWaalsContact O-N 3.12Å; Y555-C560 PolarHBondContact OH-O 2.94Å
561R70.6Confident66.7Low192 Ų19290.5 Ų90.573%0.72545%0.453SS*.  trans-104.8128.5170.5-64.5-177.9-177.6-1800.7108.8Y555 G559Y555-R561 VanDerWaalsContact CE2-C 3.48Å; G559-R561 PolarHBondContact O-N 2.99Å
562L65.9Low64Low37 Ų3792.4 Ų92.419%0.19448%0.476CS..  trans-61.4154.4166.7-61.8164.2000107.3A328 I329 Y555 D566 V567A328-L562 HydrophobicContact CB-CD1 3.89Å; I329-L562 HydrophobicContact CG2-CD2 4.41Å; Y555-L562 HydrophobicContact CD2-CD2 4.07Å; Y555-L562 HydrophobicContact CE2-CB 4.47Å; Y555-L562 HydrophobicContact CE2-CD2 3.58Å; Y555-L562 HydrophobicContact CE2-CG 3.8Å; L562-D566 HydrophobicContact CB-CB 4.03Å; L562-V567 HydrophobicContact CB-CG2 3.4Å; L562-V567 VanDerWaalsContact CB-CG2 3.4Å; L562-V567 WeakPolarHBondContact O-CG2 3.43Å
563S51Low61.1Low42 Ų4296 Ų9629%0.29451%0.514SS..  trans-60.9154.4-177.8-163.90000110.5R565 D566 V567S563-R565 PolarHBondContact O-N 3.03Å; S563-D566 WeakPolarHBondContact CB-OD2 3.43Å; S563-D566 CarbonylContact O-C 3.6Å; S563-D566 VanDerWaalsContact O-C 3.28Å; S563-D566 VanDerWaalsContact O-CA 3.23Å; S563-D566 WeakPolarHBondContact O-CA 3.5Å; S563-D566 WeakPolarHBondContact O-CB 3.42Å; S563-D566 PolarHBondContact O-N 3.34Å; S563-V567 WeakPolarHBondContact O-CB 3.49Å; S563-V567 WeakPolarHBondContact O-CG2 3.49Å; S563-V567 PolarHBondContact O-N 3.16Å
564P42.2Very low58.1Low122 Ų12295.8 Ų95.879%0.79253%0.525SS*.THydrogen-bonded Turntrans-58-19.8172.6-25.734.5000114.4D566P564-D566 VanDerWaalsContact C-N 3.3Å
565R46.2Very low55.3Low235 Ų235100.4 Ų100.489%0.88755%0.552SS**THydrogen-bonded Turntrans-76.2-17.2168-76.7-175.8170.7176.5-2.6113.7S563S563-R565 PolarHBondContact O-N 3.03Å
566D46.3Very low52.2Low42 Ų42104.7 Ų104.723%0.22558%0.582CS.*THydrogen-bonded Turntrans-113.1-5-178.2-58-53.8000113.1R292 S330 L562 S563 P564R292-D566 PolarHBondContact NH1-O 2.94Å; R292-D566 PolarHBondContact NH2-O 3.42Å; S330-D566 PolarHBondContact OG-OD1 2.95Å; L562-D566 HydrophobicContact CB-CB 4.03Å; S563-D566 WeakPolarHBondContact CB-OD2 3.43Å; S563-D566 CarbonylContact O-C 3.6Å; S563-D566 VanDerWaalsContact O-C 3.28Å; S563-D566 VanDerWaalsContact O-CA 3.23Å; S563-D566 WeakPolarHBondContact O-CA 3.5Å; S563-D566 WeakPolarHBondContact O-CB 3.42Å; S563-D566 PolarHBondContact O-N 3.34Å; P564-D566 VanDerWaalsContact C-N 3.3Å
567V43Very low49.4Very low63 Ų63109.1 Ų109.138%0.38261%0.612SS.*SBendtrans-111.7135.6-173.8169.90000113.6L562 S563L562-V567 HydrophobicContact CB-CG2 3.4Å; L562-V567 VanDerWaalsContact CB-CG2 3.4Å; L562-V567 WeakPolarHBondContact O-CG2 3.43Å; S563-V567 WeakPolarHBondContact O-CB 3.49Å; S563-V567 WeakPolarHBondContact O-CG2 3.49Å; S563-V567 PolarHBondContact O-N 3.16Å
568Y46.4Very low46.8Very low29 Ų29109.4 Ų109.411%0.11462%0.619CS.*  trans-56.7125.3161-55.8-80.9000111.2K285 M289 I535 D570K285-Y568 HydrophobicContact CB-CD1 3.96Å; K285-Y568 HydrophobicContact CB-CE1 4.09Å; K285-Y568 HydrophobicContact CD-CD1 4.45Å; K285-Y568 HydrophobicContact CG-CD1 3.94Å; M289-Y568 HydrophobicContact CB-CE1 4.38Å; M289-Y568 WeakPolarHBondContact CB-OH 3.28Å; I535-Y568 HydrophobicContact CG2-CD2 4.06Å; I535-Y568 HydrophobicContact CG2-CE1 4.5Å; I535-Y568 HydrophobicContact CG2-CE2 3.79Å; Y568-D570 PolarHBondContact O-N 3.11Å
569S33.4Very low44Very low100 Ų100108 Ų10870%0.69963%0.626SS**  trans-67.788.6179.862.60000112.5R571S569-R571 PolarHBondContact O-N 2.75Å; S569-R571 VanDerWaalsContact O-N 3.15Å
570D35.5Very low41.6Very low125 Ų125114.2 Ų114.267%0.66864%0.641SS**  trans-83.763.9164.9-79.8-20.2000110.2K285 Y568K285-D570 IonicContact NZ-OD1 3.86Å; K285-D570 PolarHBondContact NZ-OD1 3.1Å; K285-D570 IonicContact NZ-OD2 2.73Å; Y568-D570 PolarHBondContact O-N 3.11Å
571R33.3Very low39.1Very low245 Ų245121.2 Ų121.293%0.92567%0.674SS**  trans-112.683.5164.2-79.2-167.4179.6-167.50.9109.9S569S569-R571 PolarHBondContact O-N 2.75Å; S569-R571 VanDerWaalsContact O-N 3.15Å
572S38Very low37.2Very low122 Ų122116.7 Ų116.785%0.85367%0.672SS**  trans-142.699.8156.458.30000108.4
573G32.9Very low35.6Very low80 Ų80123.9 Ų123.983%0.82571%0.705SS**  trans143.858.6173.800000115.9
574S27.2Very low34.7Very low107 Ų107129.6 Ų129.675%0.74873%0.73SS**  trans-162.195.214244.20000108.5T576S574-T576 PolarHBondContact O-N 3.43Å
575S32Very low34.5Very low129 Ų129129.1 Ų129.190%0.90273%0.727SS**  trans-69.1101.4157.442.60000107.4
576T26.7Very low34Very low118 Ų118124.6 Ų124.672%0.72473%0.726SS**  trans-108133.1154.330.30000106.8S574S574-T576 PolarHBondContact O-N 3.43Å
577P31.4Very low33.3Very low120 Ų120128 Ų12878%0.77975%0.751SS**  trans-73.8143.9-174.527.4-25.5000110S579P577-S579 PolarHBondContact O-N 3.42Å
578D31.3Very low33.1Very low168 Ų168139.4 Ų139.490%0.89879%0.79SS**  trans-41.5126172-69.7-50.5000111.7
579S28Very low32.4Very low107 Ų107145 Ų14575%0.74882%0.824SS**  trans-114.7105.5161.140.80000108.2P577P577-S579 PolarHBondContact O-N 3.42Å
580E29.2Very low32.4Very low185 Ų185147.3 Ų147.386%0.86483%0.83SS**  trans35.492.6143.8-63.7-179.6163.800117.1S582E580-S582 PolarHBondContact O-N 3.23Å
581I30.6Very low32.2Very low177 Ų177148.6 Ų148.691%0.90884%0.839SS**  trans-79.7103.1151.4-63.3177.1000106.7
582S29.6Very low32.1Very low98 Ų98142.9 Ų142.969%0.68583%0.834SS**  trans-63146.2168.935.60000111.3E580E580-S582 PolarHBondContact O-N 3.23Å
583E33.2Very low31.8Very low188 Ų188144.2 Ų144.288%0.87983%0.833SS**  trans-48.3137.8177.9-59.9169.8149.100113.1
584I32.3Very low31.7Very low162 Ų162148.5 Ų148.583%0.83183%0.834SS**  trans-114.9126156.7-60.5178.8000107.1
585P38.7Very low32Very low112 Ų112151.4 Ų151.473%0.72784%0.84SS**  trans-79.2145.6-172.531.8-33.8000112
586T34.6Very low32Very low139 Ų139153.2 Ų153.285%0.85384%0.835SS**  trans-56.2129.9161.727.60000111.3
587C33Very low32.4Very low113 Ų113156.1 Ų156.176%0.76484%0.844SS**  trans-151113.3155.6-92.20000110.3
588Y37.3Very low32.5Very low304 Ų304159.4 Ų159.4100%1.19285%0.85SS**  trans51.30159.4-67.4-80.5000121.1

Retrieved 588 of 588 residues in 1364.5 ms (Link to these results)

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