A0A5K4F3N0_SCHMA Loading...

CTP synthase AlphaSync

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

AlphaFold DB , UniProt , Accession A0A5K4F3N0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 688 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
1M43.1Very low88.7Confident233 Ų23346.3 Ų46.3100%1.14824%0.243SC*.  0116.50-77.2-176.9-171.400105.5T3M1-T3 PolarHBondContact O-N 3.2Å
2D64.5Low89Confident149 Ų14942.6 Ų42.680%0.79722%0.224SC*.PPolyproline II helixtrans-64.8126-177-63.8-33.7000109.2V4D2-V4 PolarHBondContact O-N 3.23Å
3T86.2Confident89.4Confident83 Ų8343.9 Ų43.951%0.50924%0.235SC..PPolyproline II helixtrans-69.6124.5-178.4-540000109.1M1 K5 N177M1-T3 PolarHBondContact O-N 3.2Å; T3-K5 PolarHBondContact O-N 2.99Å; T3-N177 HydrophobicContact CG2-CB 4.46Å
4V95.3Very high89.7Confident12 Ų1246.3 Ų46.37%0.07325%0.246CC..PPolyproline II helixtrans-55.6134.9174.9-179.20000110.1D2 Y6 R133 C146D2-V4 PolarHBondContact O-N 3.23Å; V4-Y6 HydrophobicContact CB-CE2 4.18Å; V4-Y6 HydrophobicContact CG1-CD1 4.47Å; V4-Y6 HydrophobicContact CG1-CE1 4.02Å; V4-Y6 HydrophobicContact CG1-CE2 4.33Å; V4-Y6 WeakPolarHBondContact O-CD2 3.44Å; V4-Y6 VanDerWaalsContact O-CE2 3.27Å; V4-Y6 WeakPolarHBondContact O-CE2 3.33Å; V4-R133 HydrophobicContact CG2-CG 4.18Å; V4-C146 HydrophobicContact CG1-CB 3.93Å
5K97.7Very high89.7Confident25 Ų2548.9 Ų48.911%0.10927%0.27CS..EExtended strand (participates in β ladder)trans-91.5135.7174-52.3-59.3-177.1161.20109.7T3 E144 V145 C146 V176 N177 F273 L275T3-K5 PolarHBondContact O-N 2.99Å; K5-E144 PolarHBondContact N-O 3.47Å; K5-V145 HydrophobicContact CB-CG1 4.46Å; K5-V145 HydrophobicContact CB-CG2 4.29Å; K5-V145 CarbonylContact O-C 3.27Å; K5-V145 WeakPolarHBondContact O-CA 3.43Å; K5-C146 PolarHBondContact O-N 3.05Å; K5-V176 PolarHBondContact NZ-O 3.43Å; K5-N177 HydrophobicContact CD-CB 4.3Å; K5-N177 WeakPolarHBondContact CD-OD1 3.46Å; K5-N177 WeakPolarHBondContact CE-OD1 3.35Å; K5-N177 PolarHBondContact NZ-OD1 3.26Å; K5-F273 HydrophobicContact CB-CD1 3.91Å; K5-F273 HydrophobicContact CB-CD2 4.38Å; K5-F273 HydrophobicContact CB-CE1 3.86Å; K5-F273 HydrophobicContact CB-CE2 4.33Å; K5-F273 HydrophobicContact CB-CG 4.18Å; K5-F273 HydrophobicContact CB-CZ 4.06Å; K5-F273 HydrophobicContact CD-CB 4.21Å; K5-F273 HydrophobicContact CD-CD1 3.83Å; K5-F273 HydrophobicContact CD-CE1 4.48Å; K5-F273 HydrophobicContact CD-CG 4.17Å; K5-F273 HydrophobicContact CG-CB 4.35Å; K5-F273 HydrophobicContact CG-CD1 4.08Å; K5-F273 HydrophobicContact CG-CG 4.12Å; K5-F273 PolarHBondContact NZ-O 2.93Å; K5-L275 HydrophobicContact CG-CD1 4.3Å
6Y98.4Very high89.6Confident6 Ų650.8 Ų50.82%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-112.5126.6-176.6-61.7-81.7000110.7V4 V128 S132 C146 I148 M169 V173 N177 F178 C179V4-Y6 HydrophobicContact CB-CE2 4.18Å; V4-Y6 HydrophobicContact CG1-CD1 4.47Å; V4-Y6 HydrophobicContact CG1-CE1 4.02Å; V4-Y6 HydrophobicContact CG1-CE2 4.33Å; V4-Y6 WeakPolarHBondContact O-CD2 3.44Å; V4-Y6 VanDerWaalsContact O-CE2 3.27Å; V4-Y6 WeakPolarHBondContact O-CE2 3.33Å; Y6-V128 HydrophobicContact CD1-CG1 4.25Å; Y6-V128 HydrophobicContact CE1-CG1 4.01Å; Y6-S132 PolarHBondContact OH-OG 3.3Å; Y6-S132 VanDerWaalsContact OH-OG 3.06Å; Y6-C146 WeakPolarHBondContact CA-O 3.28Å; Y6-C146 HydrophobicContact CD1-CB 3.89Å; Y6-C146 HydrophobicContact CE1-CB 4.11Å; Y6-I148 HydrophobicContact CD1-CD1 3.91Å; Y6-M169 HydrophobicContact CD1-CE 3.53Å; Y6-M169 HydrophobicContact CD2-CE 3.64Å; Y6-M169 HydrophobicContact CE1-CE 3.49Å; Y6-M169 VanDerWaalsContact CE1-CE 3.49Å; Y6-M169 HydrophobicContact CE2-CE 3.62Å; Y6-M169 HydrophobicContact CG-CE 3.59Å; Y6-V173 HydrophobicContact CD2-CG1 4.37Å; Y6-V173 HydrophobicContact CD2-CG2 4.36Å; Y6-V173 HydrophobicContact CE2-CG1 4.09Å; Y6-N177 PolarHBondContact N-O 2.87Å; Y6-F178 CarbonylContact O-C 3.24Å; Y6-F178 WeakPolarHBondContact O-CA 3.39Å; Y6-C179 PolarHBondContact O-N 3.24Å
7I98.6Very high89.8Confident0 Ų048.4 Ų48.40%029%0.289CS..EExtended strand (participates in β ladder)trans-111.4105.4172.4-60.4175.3000107.5V9 I26 L30 V145 C146 I147 I148 C179 V181 L269 F273I7-V9 HydrophobicContact CG2-CG2 4.23Å; I7-I26 HydrophobicContact CD1-CG2 3.79Å; I7-L30 HydrophobicContact CD1-CD1 3.8Å; I7-V145 HydrophobicContact CD1-CG1 3.74Å; I7-V145 HydrophobicContact CG1-CG1 4.07Å; I7-C146 PolarHBondContact N-O 3.01Å; I7-I147 HydrophobicContact CB-CG1 4.34Å; I7-I147 HydrophobicContact CD1-CG1 4.34Å; I7-I147 CarbonylContact O-C 3.52Å; I7-I147 WeakPolarHBondContact O-CA 3.4Å; I7-I148 PolarHBondContact O-N 2.87Å; I7-C179 CarbonylContact C-O 3.59Å; I7-C179 WeakPolarHBondContact CA-O 3.43Å; I7-C179 HydrophobicContact CG1-CB 4.38Å; I7-V181 HydrophobicContact CG2-CG2 3.61Å; I7-L269 HydrophobicContact CD1-CD1 4.35Å; I7-L269 HydrophobicContact CD1-CD2 4.18Å; I7-F273 HydrophobicContact CD1-CE2 3.99Å; I7-F273 HydrophobicContact CD1-CZ 4.35Å; I7-F273 HydrophobicContact CG1-CE2 3.79Å; I7-F273 HydrophobicContact CG1-CZ 3.62Å
8L98.7Very high90Very high0 Ų046.9 Ų46.90%029%0.286CS..EExtended strand (participates in β ladder)trans-86.5117.8173.7177.268.8000109.7T10 I148 L150 F166 F178 C179 V181 L212L8-T10 HydrophobicContact CD1-CG2 4.43Å; L8-T10 HydrophobicContact CD2-CG2 3.79Å; L8-T10 HydrophobicContact CG-CG2 3.81Å; L8-I148 CarbonylContact C-O 3.58Å; L8-I148 WeakPolarHBondContact CA-O 3.39Å; L8-I148 HydrophobicContact CD1-CB 4.22Å; L8-I148 HydrophobicContact CD1-CG2 4.04Å; L8-L150 HydrophobicContact CD1-CB 4.29Å; L8-F166 HydrophobicContact CD1-CD1 4.34Å; L8-F166 HydrophobicContact CD1-CD2 3.61Å; L8-F166 HydrophobicContact CD1-CE1 4.35Å; L8-F166 HydrophobicContact CD1-CE2 3.6Å; L8-F166 HydrophobicContact CD1-CG 4.02Å; L8-F166 HydrophobicContact CD1-CZ 4.01Å; L8-F166 HydrophobicContact CD2-CB 3.74Å; L8-F166 HydrophobicContact CD2-CD1 4.49Å; L8-F166 HydrophobicContact CD2-CD2 3.81Å; L8-F166 HydrophobicContact CD2-CG 3.75Å; L8-F166 HydrophobicContact CG-CD2 4.37Å; L8-F166 HydrophobicContact CG-CG 4.47Å; L8-F178 HydrophobicContact CB-CE1 4.15Å; L8-F178 HydrophobicContact CB-CE2 4.33Å; L8-F178 HydrophobicContact CB-CZ 3.62Å; L8-F178 HydrophobicContact CD2-CE1 4.46Å; L8-F178 HydrophobicContact CD2-CZ 3.87Å; L8-F178 HydrophobicContact CG-CZ 4.37Å; L8-C179 PolarHBondContact N-O 3.29Å; L8-V181 PolarHBondContact O-N 3.08Å; L8-L212 HydrophobicContact CD2-CD1 3.87Å
9V98.6Very high90.3Very high0 Ų045.3 Ų45.30%027%0.274CS..EExtended strand (participates in β ladder)trans-99.8114.4174.2-173.80000109.1I7 I26 I147 I148 L150 V181 V183I7-V9 HydrophobicContact CG2-CG2 4.23Å; V9-I26 HydrophobicContact CG2-CD1 4.49Å; V9-I147 HydrophobicContact CG2-CG2 3.95Å; V9-I148 PolarHBondContact N-O 3.21Å; V9-L150 PolarHBondContact O-N 2.88Å; V9-V181 CarbonylContact C-O 3.47Å; V9-V181 WeakPolarHBondContact CA-O 3.44Å; V9-V181 HydrophobicContact CG2-CB 4.28Å; V9-V183 HydrophobicContact CG1-CG2 3.79Å
10T98.3Very high90.6Very high0 Ų043.3 Ų43.30%026%0.263CS..EExtended strand (participates in β ladder)trans-110.6154.6178.860.60000111.5L8 L150 I154 V181 H182 V183 L207L8-T10 HydrophobicContact CD1-CG2 4.43Å; L8-T10 HydrophobicContact CD2-CG2 3.79Å; L8-T10 HydrophobicContact CG-CG2 3.81Å; T10-L150 HydrophobicContact CG2-CD2 4.5Å; T10-I154 HydrophobicContact CG2-CD1 4.15Å; T10-V181 PolarHBondContact N-O 3.41Å; T10-V181 PolarHBondContact OG1-O 2.99Å; T10-H182 PolarHBondContact OG1-ND1 2.98Å; T10-V183 PolarHBondContact O-N 3.11Å; T10-L207 HydrophobicContact CG2-CD1 4.44Å
11G96.2Very high90.8Very high1 Ų142.2 Ų42.21%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-106.1140.6177.300000113I154G11-I154 WeakPolarHBondContact O-CG1 3.34Å; G11-I154 PolarHBondContact O-N 3.06Å
12G92.5Very high93.4Very high2 Ų231.3 Ų31.32%0.02120%0.202CC..  trans-95.7-127173.500000113.2I14 T153 V183 S203G12-I14 VanDerWaalsContact C-N 3.32Å; G12-I14 PolarHBondContact O-N 3.02Å; G12-T153 WeakPolarHBondContact O-CB 3.36Å; G12-T153 WeakPolarHBondContact O-CG2 3.45Å; G12-V183 PolarHBondContact N-O 3.39Å; G12-S203 WeakPolarHBondContact CA-OG 3.36Å
13V93.6Very high95Very high60 Ų6024.2 Ų24.236%0.36416%0.164SC..SBendtrans-39.5-42.1-167.2-167.90000117.4L185 P199V13-L185 HydrophobicContact CB-CB 4.1Å; V13-L185 HydrophobicContact CG2-CB 4.12Å; V13-P199 HydrophobicContact CB-CB 4.5Å; V13-P199 HydrophobicContact CG1-CB 4.03Å; V13-P199 HydrophobicContact CG2-CB 3.57Å
14I94.5Very high95.6Very high77 Ų7720.2 Ų20.240%0.39514%0.14SC..  trans-140.3151.1-176.360.3171000111.4G12 I17 L185G12-I14 VanDerWaalsContact C-N 3.32Å; G12-I14 PolarHBondContact O-N 3.02Å; I14-I17 HydrophobicContact CG1-CB 4.17Å; I14-I17 HydrophobicContact CG1-CD1 4.48Å; I14-I17 HydrophobicContact CG1-CG1 4.48Å; I14-L185 HydrophobicContact CD1-CD2 3.99Å; I14-L185 HydrophobicContact CG1-CD2 4.36Å
15S89.4Confident95.7Very high86 Ų8619.7 Ų19.760%0.60114%0.136SC*.THydrogen-bonded Turntrans-68.7162.816163.40000110.2I17S15-I17 PolarHBondContact O-N 3.32Å
16G87.8Confident95.7Very high78 Ų7818.5 Ų18.580%0.80413%0.131SC*.THydrogen-bonded Turntrans70.27.9-177.600000115.6G18G16-G18 PolarHBondContact O-N 3.42Å
17I92.9Very high95.6Very high10 Ų1018.2 Ų18.25%0.05113%0.13CC..SBendtrans-64.8-7.6-180-161.7166.5000115I14 S15 K19 V183 L185 R220I14-I17 HydrophobicContact CG1-CB 4.17Å; I14-I17 HydrophobicContact CG1-CD1 4.48Å; I14-I17 HydrophobicContact CG1-CG1 4.48Å; S15-I17 PolarHBondContact O-N 3.32Å; I17-K19 HydrophobicContact CG2-CG 3.88Å; I17-V183 HydrophobicContact CD1-CG1 4.29Å; I17-V183 HydrophobicContact CG1-CG1 4.24Å; I17-V183 HydrophobicContact CG2-CB 4.36Å; I17-V183 HydrophobicContact CG2-CG1 3.86Å; I17-L185 HydrophobicContact CD1-CB 3.72Å; I17-L185 VanDerWaalsContact CD1-N 3.32Å; I17-R220 HydrophobicContact CD1-CB 4.26Å; I17-R220 HydrophobicContact CG1-CB 3.92Å; I17-R220 HydrophobicContact CG1-CG 4.22Å
18G93.6Very high95.5Very high23 Ų2318.5 Ų18.524%0.23713%0.132CC..SBendtrans97.527.3-177.800000114.9G16 G20 I21 I22G16-G18 PolarHBondContact O-N 3.42Å; G18-G20 PolarHBondContact O-N 3.36Å; G18-I21 PolarHBondContact O-N 3.5Å; G18-I21 VanDerWaalsContact O-N 3.15Å; G18-I22 WeakPolarHBondContact O-CG1 3.49Å; G18-I22 PolarHBondContact O-N 3.03Å
19K96.5Very high95.3Very high16 Ų1618.5 Ų18.57%0.0713%0.132CC..Hα-helixtrans-52.2-52.8174.2-68.1-168.3-62.2-82.60112I17 I21 I22 S23 E149 L150 G152 V183I17-K19 HydrophobicContact CG2-CG 3.88Å; K19-I21 PolarHBondContact O-N 3.02Å; K19-I22 PolarHBondContact O-N 3.33Å; K19-S23 PolarHBondContact O-N 3.49Å; K19-S23 PolarHBondContact O-OG 2.89Å; K19-E149 HydrophobicContact CB-CG 4.16Å; K19-E149 WeakPolarHBondContact CB-OE1 3.47Å; K19-E149 HydrophobicContact CD-CG 4.46Å; K19-L150 VanDerWaalsContact CE-O 3.23Å; K19-L150 WeakPolarHBondContact CE-O 3.24Å; K19-G152 PolarHBondContact NZ-O 2.86Å; K19-V183 HydrophobicContact CG-CB 4.48Å
20G95.4Very high95.1Very high5 Ų518.7 Ų18.75%0.05213%0.133CC..Hα-helixtrans-49.1-41.8174.600000114.2G18 S24 E149G18-G20 PolarHBondContact O-N 3.36Å; G20-S24 WeakPolarHBondContact O-CB 3.46Å; G20-S24 PolarHBondContact O-N 2.92Å; G20-S24 PolarHBondContact O-OG 2.85Å; G20-E149 WeakPolarHBondContact CA-OE2 3.43Å; G20-E149 PolarHBondContact N-OE1 3.45Å; G20-E149 PolarHBondContact N-OE2 3.08Å; G20-E149 VanDerWaalsContact N-OE2 3.12Å
21I96.1Very high94.9Very high20 Ų2022.1 Ų22.110%0.10315%0.148CC..Hα-helixtrans-72.6-40.2179-56.6-54.7000111.4G18 K19 S25 F80 L253 V256G18-I21 PolarHBondContact O-N 3.5Å; G18-I21 VanDerWaalsContact O-N 3.15Å; K19-I21 PolarHBondContact O-N 3.02Å; I21-S25 VanDerWaalsContact O-CB 3.23Å; I21-S25 WeakPolarHBondContact O-CB 3.42Å; I21-S25 PolarHBondContact O-N 2.75Å; I21-S25 PolarHBondContact O-OG 3.39Å; I21-F80 HydrophobicContact CD1-CZ 4.48Å; I21-L253 HydrophobicContact CD1-CD1 3.65Å; I21-L253 HydrophobicContact CG1-CD1 4.13Å; I21-L253 HydrophobicContact CG1-CD2 4.47Å; I21-V256 HydrophobicContact CG2-CB 4.1Å; I21-V256 HydrophobicContact CG2-CG1 4.13Å; I21-V256 HydrophobicContact CG2-CG2 3.96Å
22I97.6Very high94.7Very high4 Ų422.2 Ų22.22%0.02115%0.148CC..Hα-helixtrans-64.2-48.1174.6-64.2-58.4000110.7G18 K19 S24 S25 I26 V181 V183 M218 V256 L260G18-I22 WeakPolarHBondContact O-CG1 3.49Å; G18-I22 PolarHBondContact O-N 3.03Å; K19-I22 PolarHBondContact O-N 3.33Å; I22-S24 PolarHBondContact O-N 3.31Å; I22-S25 PolarHBondContact O-N 3.32Å; I22-I26 HydrophobicContact CG2-CD1 3.77Å; I22-I26 HydrophobicContact CG2-CG1 4.42Å; I22-I26 WeakPolarHBondContact O-CG1 3.29Å; I22-I26 PolarHBondContact O-N 3.48Å; I22-V181 HydrophobicContact CG2-CG1 4.49Å; I22-V183 HydrophobicContact CB-CG2 4.28Å; I22-V183 HydrophobicContact CG1-CG1 4.38Å; I22-V183 HydrophobicContact CG1-CG2 4.22Å; I22-V183 HydrophobicContact CG2-CG2 4.13Å; I22-M218 HydrophobicContact CG2-CE 4.42Å; I22-M218 HydrophobicContact CG2-CG 4.07Å; I22-M218 HydrophobicContact CG2-SD 4.42Å; I22-V256 HydrophobicContact CD1-CG1 4.42Å; I22-L260 HydrophobicContact CD1-CD1 4.06Å
23S98Very high94.6Very high0 Ų023.5 Ų23.50%015%0.153CC..Hα-helixtrans-55.6-50.4176.1-56.90000111.1K19 S25 I26 G27 I147 E149K19-S23 PolarHBondContact O-N 3.49Å; K19-S23 PolarHBondContact O-OG 2.89Å; S23-S25 PolarHBondContact O-N 2.82Å; S23-I26 PolarHBondContact O-N 3.05Å; S23-G27 PolarHBondContact O-N 3.1Å; S23-G27 VanDerWaalsContact O-N 3.09Å; S23-I147 WeakPolarHBondContact O-CD1 3.32Å; S23-E149 PolarHBondContact OG-OE2 3.23Å; S23-E149 VanDerWaalsContact OG-OE2 3.06Å
24S97.4Very high94.5Very high0 Ų021.8 Ų21.80%015%0.147CC..Hα-helixtrans-59.3-45176.5-60.80000112G20 I22 G27 T28 Y77 L81G20-S24 WeakPolarHBondContact O-CB 3.46Å; G20-S24 PolarHBondContact O-N 2.92Å; G20-S24 PolarHBondContact O-OG 2.85Å; I22-S24 PolarHBondContact O-N 3.31Å; S24-G27 PolarHBondContact O-N 3.3Å; S24-T28 PolarHBondContact O-N 3.34Å; S24-T28 PolarHBondContact O-OG1 2.73Å; S24-T28 VanDerWaalsContact O-OG1 3.09Å; S24-Y77 WeakPolarHBondContact OG-CD1 3.42Å; S24-L81 WeakPolarHBondContact O-CD1 3.46Å
25S97.3Very high94.4Very high0 Ų018.9 Ų18.90%013%0.131CC..Hα-helixtrans-67.9-40.9-177-58.20000112.4I21 I22 S23 G27 T28 I29 V256I21-S25 VanDerWaalsContact O-CB 3.23Å; I21-S25 WeakPolarHBondContact O-CB 3.42Å; I21-S25 PolarHBondContact O-N 2.75Å; I21-S25 PolarHBondContact O-OG 3.39Å; I22-S25 PolarHBondContact O-N 3.32Å; S23-S25 PolarHBondContact O-N 2.82Å; S25-G27 VanDerWaalsContact C-N 3.29Å; S25-G27 PolarHBondContact O-N 2.77Å; S25-T28 PolarHBondContact O-N 2.86Å; S25-I29 WeakPolarHBondContact O-CB 3.49Å; S25-I29 WeakPolarHBondContact O-CD1 3.25Å; S25-I29 WeakPolarHBondContact O-CG1 3.33Å; S25-I29 PolarHBondContact O-N 2.77Å; S25-V256 WeakPolarHBondContact OG-CG1 3.43Å
26I97.8Very high94.6Very high0 Ų016.8 Ų16.80%011%0.113CC..Hα-helixtrans-57.8-46.9172.2-70.3163.9000109.5I7 V9 I22 S23 I29 L30 I147 V181 M218 L265 L269I7-I26 HydrophobicContact CD1-CG2 3.79Å; V9-I26 HydrophobicContact CG2-CD1 4.49Å; I22-I26 HydrophobicContact CG2-CD1 3.77Å; I22-I26 HydrophobicContact CG2-CG1 4.42Å; I22-I26 WeakPolarHBondContact O-CG1 3.29Å; I22-I26 PolarHBondContact O-N 3.48Å; S23-I26 PolarHBondContact O-N 3.05Å; I26-I29 PolarHBondContact O-N 3.36Å; I26-L30 HydrophobicContact CG2-CD1 3.83Å; I26-L30 HydrophobicContact CG2-CG 4.41Å; I26-L30 WeakPolarHBondContact O-CG 3.05Å; I26-L30 PolarHBondContact O-N 3.46Å; I26-I147 HydrophobicContact CB-CD1 4.07Å; I26-I147 HydrophobicContact CG2-CD1 3.76Å; I26-I147 HydrophobicContact CG2-CG1 4.48Å; I26-V181 HydrophobicContact CD1-CG1 4.36Å; I26-V181 HydrophobicContact CD1-CG2 4.26Å; I26-M218 HydrophobicContact CD1-CE 4.39Å; I26-L265 HydrophobicContact CG1-CD2 3.93Å; I26-L269 HydrophobicContact CG2-CD1 3.86Å
27G96.9Very high95Very high0 Ų013.2 Ų13.20%08%0.076CC..Hα-helixtrans-61.9-45.2179.500000113.3S23 S24 S25 I29 L30 K31 I147S23-G27 PolarHBondContact O-N 3.1Å; S23-G27 VanDerWaalsContact O-N 3.09Å; S24-G27 PolarHBondContact O-N 3.3Å; S25-G27 VanDerWaalsContact C-N 3.29Å; S25-G27 PolarHBondContact O-N 2.77Å; G27-I29 PolarHBondContact O-N 2.65Å; G27-L30 PolarHBondContact O-N 3.11Å; G27-K31 WeakPolarHBondContact O-CB 3.33Å; G27-K31 PolarHBondContact O-N 2.83Å; G27-I147 VanDerWaalsContact CA-CD1 3.44Å; G27-I147 VanDerWaalsContact N-CD1 3.33Å
28T95.6Very high95.2Very high6 Ų612.7 Ų12.74%0.0377%0.073CC..Hα-helixtrans-59.5-44.6174.8-62.20000112.1S24 S25 K31 A32 F80 P257 L286 W289S24-T28 PolarHBondContact O-N 3.34Å; S24-T28 PolarHBondContact O-OG1 2.73Å; S24-T28 VanDerWaalsContact O-OG1 3.09Å; S25-T28 PolarHBondContact O-N 2.86Å; T28-K31 PolarHBondContact O-N 3.44Å; T28-A32 PolarHBondContact O-N 3.41Å; T28-F80 PolarHBondContact OG1-O 3.36Å; T28-F80 VanDerWaalsContact OG1-O 3.07Å; T28-P257 HydrophobicContact CG2-CB 4.26Å; T28-P257 HydrophobicContact CG2-CG 4.41Å; T28-L286 HydrophobicContact CG2-CD2 3.78Å; T28-W289 HydrophobicContact CG2-CD2 4.06Å; T28-W289 HydrophobicContact CG2-CG 4.5Å; T28-W289 HydrophobicContact CG2-CH2 4.26Å; T28-W289 HydrophobicContact CG2-CZ2 3.48Å; T28-W289 VanDerWaalsContact CG2-CZ2 3.48Å; T28-W289 VanDerWaalsContact CG2-NE1 3.27Å
29I95.6Very high95.5Very high0 Ų011.7 Ų11.70%06%0.062CC..Hα-helixtrans-62.2-50.6178-69.1162.6000110S25 I26 G27 K31 A32 Y33 P257 L260 N261 L265 C266 L286S25-I29 WeakPolarHBondContact O-CB 3.49Å; S25-I29 WeakPolarHBondContact O-CD1 3.25Å; S25-I29 WeakPolarHBondContact O-CG1 3.33Å; S25-I29 PolarHBondContact O-N 2.77Å; I26-I29 PolarHBondContact O-N 3.36Å; G27-I29 PolarHBondContact O-N 2.65Å; I29-K31 VanDerWaalsContact C-N 3.3Å; I29-K31 PolarHBondContact O-N 3.3Å; I29-A32 WeakPolarHBondContact O-CB 3.42Å; I29-A32 PolarHBondContact O-N 2.96Å; I29-A32 VanDerWaalsContact O-N 3.13Å; I29-Y33 HydrophobicContact CG2-CD2 4.34Å; I29-Y33 HydrophobicContact CG2-CE2 4.25Å; I29-Y33 VanDerWaalsContact O-CD2 3.3Å; I29-Y33 WeakPolarHBondContact O-CD2 3.37Å; I29-Y33 PolarHBondContact O-N 2.97Å; I29-P257 WeakPolarHBondContact CD1-O 3.27Å; I29-P257 HydrophobicContact CG1-CB 4.33Å; I29-L260 HydrophobicContact CD1-CB 3.8Å; I29-N261 HydrophobicContact CD1-CB 4.35Å; I29-N261 HydrophobicContact CG1-CB 4.38Å; I29-L265 HydrophobicContact CD1-CD2 4Å; I29-C266 HydrophobicContact CG2-CB 3.58Å; I29-L286 HydrophobicContact CG1-CD1 4.11Å
30L94.8Very high95.6Very high4 Ų410.9 Ų10.92%0.0216%0.059CC..Hα-helixtrans-59.9-40.1179.2-71.9171.7000112.1I7 I26 G27 A32 Y33 G34 W35 V37 V145 L269I7-L30 HydrophobicContact CD1-CD1 3.8Å; I26-L30 HydrophobicContact CG2-CD1 3.83Å; I26-L30 HydrophobicContact CG2-CG 4.41Å; I26-L30 WeakPolarHBondContact O-CG 3.05Å; I26-L30 PolarHBondContact O-N 3.46Å; G27-L30 PolarHBondContact O-N 3.11Å; L30-A32 PolarHBondContact O-N 2.93Å; L30-Y33 CarbonylContact O-C 3.51Å; L30-Y33 WeakPolarHBondContact O-CA 3.35Å; L30-Y33 PolarHBondContact O-N 3.13Å; L30-Y33 VanDerWaalsContact O-N 3.08Å; L30-G34 PolarHBondContact O-N 3.34Å; L30-W35 HydrophobicContact CB-CB 4.3Å; L30-W35 PolarHBondContact O-N 3Å; L30-W35 VanDerWaalsContact O-N 3.12Å; L30-V37 HydrophobicContact CB-CG2 3.73Å; L30-V37 HydrophobicContact CD1-CG2 4.4Å; L30-V145 HydrophobicContact CD1-CB 4.38Å; L30-V145 HydrophobicContact CD1-CG1 3.87Å; L30-V145 HydrophobicContact CD1-CG2 4.48Å; L30-L269 HydrophobicContact CD1-CD1 4.48Å; L30-L269 HydrophobicContact CD2-CD1 4.27Å; L30-L269 HydrophobicContact CG-CD1 4.44Å
31K92.8Very high95.7Very high73 Ų7311 Ų1132%0.3176%0.058SC..Hα-helixtrans-64.5-38.2175.8-169.3166.2-176.8160.90112.3G27 T28 I29 Y33 G34 L81 N82G27-K31 WeakPolarHBondContact O-CB 3.33Å; G27-K31 PolarHBondContact O-N 2.83Å; T28-K31 PolarHBondContact O-N 3.44Å; I29-K31 VanDerWaalsContact C-N 3.3Å; I29-K31 PolarHBondContact O-N 3.3Å; K31-Y33 PolarHBondContact O-N 3.02Å; K31-G34 PolarHBondContact O-N 3.27Å; K31-L81 VanDerWaalsContact CD-O 3.26Å; K31-L81 WeakPolarHBondContact CD-O 3.1Å; K31-L81 WeakPolarHBondContact CE-O 3.38Å; K31-L81 PolarHBondContact NZ-O 3.02Å; K31-N82 PolarHBondContact NZ-O 3.4Å
32A92.3Very high95.8Very high2 Ų210 Ų102%0.0175%0.053CC..Hα-helixtrans-62.5-26.5173.300000112.5T28 I29 L30 G34 I281 E282 I285 L286T28-A32 PolarHBondContact O-N 3.41Å; I29-A32 WeakPolarHBondContact O-CB 3.42Å; I29-A32 PolarHBondContact O-N 2.96Å; I29-A32 VanDerWaalsContact O-N 3.13Å; L30-A32 PolarHBondContact O-N 2.93Å; A32-G34 VanDerWaalsContact C-N 3.32Å; A32-I281 WeakPolarHBondContact O-CG2 3.17Å; A32-E282 HydrophobicContact CB-CB 4.36Å; A32-E282 WeakPolarHBondContact O-CB 3.32Å; A32-E282 PolarHBondContact O-N 3.49Å; A32-I285 HydrophobicContact CB-CG2 4.37Å; A32-L286 HydrophobicContact CB-CD2 3.65Å; A32-L286 HydrophobicContact CB-CG 4.07Å
33Y91.7Very high95.8Very high30 Ų3010.1 Ų10.112%0.1185%0.053CC..THydrogen-bonded Turntrans-88.88.4172.7-79.5-106.2000114I29 L30 K31 C266 L270 K278 I285I29-Y33 HydrophobicContact CG2-CD2 4.34Å; I29-Y33 HydrophobicContact CG2-CE2 4.25Å; I29-Y33 VanDerWaalsContact O-CD2 3.3Å; I29-Y33 WeakPolarHBondContact O-CD2 3.37Å; I29-Y33 PolarHBondContact O-N 2.97Å; L30-Y33 CarbonylContact O-C 3.51Å; L30-Y33 WeakPolarHBondContact O-CA 3.35Å; L30-Y33 PolarHBondContact O-N 3.13Å; L30-Y33 VanDerWaalsContact O-N 3.08Å; K31-Y33 PolarHBondContact O-N 3.02Å; Y33-C266 HydrophobicContact CD2-CB 3.95Å; Y33-C266 WeakPolarHBondContact CD2-SG 3.46Å; Y33-C266 HydrophobicContact CE1-CB 4.21Å; Y33-C266 HydrophobicContact CE2-CB 3.52Å; Y33-C266 VanDerWaalsContact CE2-SG 3.56Å; Y33-C266 HydrophobicContact CG-CB 4.43Å; Y33-L270 HydrophobicContact CD1-CD1 4.37Å; Y33-K278 WeakPolarHBondContact O-CB 3.43Å; Y33-I285 HydrophobicContact CD2-CG2 4.23Å; Y33-I285 HydrophobicContact CE1-CD1 4.03Å; Y33-I285 HydrophobicContact CE2-CD1 4.07Å; Y33-I285 HydrophobicContact CE2-CG2 3.65Å
34G90.5Very high95.8Very high24 Ų2410.7 Ų10.725%0.2476%0.057CC..THydrogen-bonded Turntrans88.211.4172.400000115.7L30 K31 A32 H280L30-G34 PolarHBondContact O-N 3.34Å; K31-G34 PolarHBondContact O-N 3.27Å; A32-G34 VanDerWaalsContact C-N 3.32Å; G34-H280 WeakPolarHBondContact CA-O 3.48Å
35W92.6Very high95.7Very high16 Ų1612.4 Ų12.46%0.0616%0.064CC..  trans-85.9139178-63.892.9000111.9L30 V37 E144 V145 L270 L275 N276 K278L30-W35 HydrophobicContact CB-CB 4.3Å; L30-W35 PolarHBondContact O-N 3Å; L30-W35 VanDerWaalsContact O-N 3.12Å; W35-V37 HydrophobicContact CB-CG2 4.39Å; W35-V37 PolarHBondContact O-N 3.44Å; W35-E144 HydrophobicContact CE3-CB 3.99Å; W35-E144 HydrophobicContact CZ3-CB 4.44Å; W35-V145 HydrophobicContact CB-CG2 4.5Å; W35-L270 HydrophobicContact CZ2-CD2 3.83Å; W35-L275 HydrophobicContact CE3-CD1 4.36Å; W35-L275 HydrophobicContact CH2-CB 3.77Å; W35-L275 HydrophobicContact CH2-CD1 3.6Å; W35-L275 HydrophobicContact CH2-CD2 3.66Å; W35-L275 HydrophobicContact CH2-CG 3.85Å; W35-L275 HydrophobicContact CZ2-CB 3.64Å; W35-L275 HydrophobicContact CZ2-CD1 3.75Å; W35-L275 HydrophobicContact CZ2-CD2 4.41Å; W35-L275 HydrophobicContact CZ2-CG 4.12Å; W35-L275 HydrophobicContact CZ3-CD1 3.9Å; W35-L275 HydrophobicContact CZ3-CD2 4.16Å; W35-L275 HydrophobicContact CZ3-CG 4.49Å; W35-N276 VanDerWaalsContact CZ2-O 3.26Å; W35-N276 WeakPolarHBondContact CZ2-O 3.49Å; W35-K278 HydrophobicContact CD2-CG 4.31Å; W35-K278 HydrophobicContact CH2-CD 4.5Å; W35-K278 HydrophobicContact CZ2-CG 4.24Å
36N93.6Very high95.6Very high41 Ų4118 Ų1822%0.2199%0.094CC..  trans-79.1118.8170.5-64.4-17.8000109.4S141 E144 V145N36-S141 VanDerWaalsContact ND2-CB 3.35Å; N36-S141 WeakPolarHBondContact ND2-CB 3.33Å; N36-E144 HydrophobicContact CB-CG 4.36Å; N36-E144 PolarHBondContact N-OE2 3.02Å; N36-E144 PolarHBondContact O-N 3.16Å; N36-V145 PolarHBondContact O-N 2.72Å; N36-V145 VanDerWaalsContact O-N 3.11Å
37V96.1Very high95.6Very high3 Ų321.2 Ų21.22%0.01811%0.11CC..EExtended strand (participates in β ladder)trans-118.6136-173.2-175.10000110.7L30 W35 L81 V145 I147L30-V37 HydrophobicContact CB-CG2 3.73Å; L30-V37 HydrophobicContact CD1-CG2 4.4Å; W35-V37 HydrophobicContact CB-CG2 4.39Å; W35-V37 PolarHBondContact O-N 3.44Å; V37-L81 HydrophobicContact CB-CD2 3.94Å; V37-L81 HydrophobicContact CG1-CD2 3.67Å; V37-V145 WeakPolarHBondContact CA-O 3.34Å; V37-V145 HydrophobicContact CG2-CB 4.46Å; V37-I147 HydrophobicContact CG1-CD1 3.77Å; V37-I147 HydrophobicContact CG1-CG1 4.02Å
38T98Very high95.5Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-120.6161.8166.9-169.10000111V136 P143 V145 C146 I147T38-V136 WeakPolarHBondContact OG1-CG1 3.24Å; T38-P143 HydrophobicContact CG2-CB 3.55Å; T38-P143 HydrophobicContact CG2-CG 3.7Å; T38-V145 PolarHBondContact N-O 3.38Å; T38-C146 HydrophobicContact CG2-CB 3.82Å; T38-C146 WeakPolarHBondContact O-CA 3.46Å; T38-I147 PolarHBondContact O-N 3.01Å
39C98.3Very high95.4Very high1 Ų127.1 Ų27.11%0.00714%0.141CC..EExtended strand (participates in β ladder)trans-126.3143.8179.4-65.20000111.2Y77 N89 I147C39-Y77 HydrophobicContact CB-CD1 4.46Å; C39-Y77 HydrophobicContact CB-CD2 3.46Å; C39-Y77 VanDerWaalsContact CB-CD2 3.46Å; C39-Y77 HydrophobicContact CB-CE2 3.99Å; C39-Y77 HydrophobicContact CB-CG 3.74Å; C39-N89 PolarHBondContact O-ND2 3.43Å; C39-I147 CarbonylContact C-O 3.56Å; C39-I147 VanDerWaalsContact CA-O 3.26Å; C39-I147 WeakPolarHBondContact CA-O 3.32Å
40I98.6Very high95.4Very high0 Ų027.3 Ų27.30%014%0.143CC..EExtended strand (participates in β ladder)trans-127.1125.1169.9-62.2177.1000107.8I42 N89 I91 V128 V131 I147 I148 E149I40-I42 HydrophobicContact CG2-CG1 4.21Å; I40-N89 CarbonylContact C-O 3.57Å; I40-N89 VanDerWaalsContact CA-O 3.32Å; I40-N89 WeakPolarHBondContact CA-O 3.32Å; I40-I91 HydrophobicContact CG2-CD1 3.65Å; I40-I91 HydrophobicContact CG2-CG1 3.97Å; I40-V128 HydrophobicContact CD1-CB 4.47Å; I40-V128 HydrophobicContact CD1-CG1 4.24Å; I40-V128 HydrophobicContact CD1-CG2 4.5Å; I40-V131 HydrophobicContact CD1-CB 3.88Å; I40-V131 HydrophobicContact CD1-CG1 3.79Å; I40-V131 HydrophobicContact CG1-CG1 3.89Å; I40-I147 PolarHBondContact N-O 3.21Å; I40-I148 HydrophobicContact CB-CG1 4.44Å; I40-I148 CarbonylContact O-C 3.45Å; I40-I148 WeakPolarHBondContact O-CA 3.26Å; I40-E149 PolarHBondContact O-N 3.31Å
41K98.4Very high95.3Very high6 Ų627.8 Ų27.83%0.02615%0.148CC..EExtended strand (participates in β ladder)trans-95.8128.8168.6-177.272.6-179.7-47.10108.7D43 D71 D73 L74 Y77 N89 N90 I91 E149K41-D43 VanDerWaalsContact CE-OD1 3.25Å; K41-D43 WeakPolarHBondContact CE-OD1 3.25Å; K41-D43 IonicContact NZ-OD1 3.01Å; K41-D43 PolarHBondContact NZ-OD1 3.18Å; K41-D71 IonicContact NZ-OD1 3.83Å; K41-D71 PolarHBondContact NZ-OD1 3.37Å; K41-D71 IonicContact NZ-OD2 3.54Å; K41-D73 HydrophobicContact CD-CB 4.07Å; K41-D73 WeakPolarHBondContact CE-OD2 3.44Å; K41-D73 IonicContact NZ-OD2 3.86Å; K41-D73 PolarHBondContact NZ-OD2 3.39Å; K41-L74 HydrophobicContact CB-CD1 3.46Å; K41-L74 VanDerWaalsContact CB-CD1 3.46Å; K41-L74 HydrophobicContact CB-CG 4.33Å; K41-L74 HydrophobicContact CG-CD1 3.94Å; K41-Y77 HydrophobicContact CB-CE2 4.17Å; K41-Y77 WeakPolarHBondContact CD-OH 3.33Å; K41-N89 PolarHBondContact N-O 3.27Å; K41-N90 WeakPolarHBondContact O-CA 3.47Å; K41-I91 PolarHBondContact O-N 3.48Å; K41-E149 HydrophobicContact CD-CB 4.11Å; K41-E149 HydrophobicContact CD-CG 4.05Å
42I98.4Very high95.2Very high0 Ų029.2 Ų29.20%016%0.163CC..EExtended strand (participates in β ladder)trans-107.7117.4169.5-59.1-173.6000108.1I40 P44 I91 I148 E149 L150 G151 Y162 F166I40-I42 HydrophobicContact CG2-CG1 4.21Å; I42-P44 WeakPolarHBondContact O-CD 3.45Å; I42-I91 CarbonylContact C-O 3.55Å; I42-I91 WeakPolarHBondContact CA-O 3.19Å; I42-I91 HydrophobicContact CD1-CD1 4.43Å; I42-I91 HydrophobicContact CG1-CB 4.16Å; I42-I91 HydrophobicContact CG1-CD1 4.26Å; I42-I148 HydrophobicContact CD1-CG2 3.78Å; I42-I148 HydrophobicContact CG1-CG2 4.13Å; I42-E149 PolarHBondContact N-O 3.4Å; I42-L150 HydrophobicContact CB-CD1 4.04Å; I42-L150 HydrophobicContact CG2-CD1 3.71Å; I42-G151 WeakPolarHBondContact O-CA 3.43Å; I42-G151 PolarHBondContact O-N 2.99Å; I42-Y162 HydrophobicContact CD1-CD1 4.09Å; I42-Y162 HydrophobicContact CG2-CD1 3.41Å; I42-Y162 VanDerWaalsContact CG2-CD1 3.41Å; I42-Y162 HydrophobicContact CG2-CD2 4.12Å; I42-Y162 HydrophobicContact CG2-CE1 3.34Å; I42-Y162 HydrophobicContact CG2-CE2 4.06Å; I42-Y162 HydrophobicContact CG2-CG 3.8Å; I42-F166 HydrophobicContact CD1-CE2 3.67Å; I42-F166 HydrophobicContact CD1-CZ 3.39Å
43D97.3Very high95.1Very high6 Ų630.7 Ų30.73%0.03217%0.169CC..EExtended strand (participates in β ladder)trans-104.3113.7174.9-66.9-43.4000110.1K41 Y45 D71 N90 I91 T92 T93K41-D43 VanDerWaalsContact CE-OD1 3.25Å; K41-D43 WeakPolarHBondContact CE-OD1 3.25Å; K41-D43 IonicContact NZ-OD1 3.01Å; K41-D43 PolarHBondContact NZ-OD1 3.18Å; D43-Y45 HydrophobicContact CB-CD1 3.65Å; D43-Y45 HydrophobicContact CB-CE1 3.2Å; D43-Y45 HydrophobicContact CB-CE2 4.19Å; D43-Y45 HydrophobicContact CB-CG 4.28Å; D43-Y45 VanDerWaalsContact CB-CZ 3.48Å; D43-Y45 VanDerWaalsContact CG-CE1 3.48Å; D43-Y45 PolarHBondContact O-N 3.28Å; D43-Y45 VanDerWaalsContact O-N 3.11Å; D43-Y45 PolarHBondContact OD2-OH 2.83Å; D43-Y45 VanDerWaalsContact OD2-OH 3.05Å; D43-D71 WeakPolarHBondContact OD2-CB 3.42Å; D43-N90 PolarHBondContact OD2-ND2 3.23Å; D43-I91 PolarHBondContact N-O 3.44Å; D43-T92 HydrophobicContact CB-CG2 4.33Å; D43-T92 WeakPolarHBondContact O-CA 3.37Å; D43-T93 PolarHBondContact O-N 3.02Å
44P96.9Very high95.1Very high13 Ų1331.6 Ų31.68%0.08418%0.18CC..  trans-66.4-11.3-176.7-25.736.2000115.6I42 T93 L150 G151 E158 Y162I42-P44 WeakPolarHBondContact O-CD 3.45Å; P44-T93 VanDerWaalsContact C-OG1 3.31Å; P44-T93 WeakPolarHBondContact O-CB 3.18Å; P44-T93 PolarHBondContact O-OG1 3.11Å; P44-L150 HydrophobicContact CG-CD1 4.33Å; P44-G151 WeakPolarHBondContact CG-O 3.32Å; P44-E158 HydrophobicContact CB-CB 3.51Å; P44-Y162 HydrophobicContact CB-CE2 4.42Å
45Y95.5Very high95Very high35 Ų3531.3 Ų31.314%0.13717%0.174CC..SBendtrans-63.3158.9179.661-115.2000112.8D43 N47 F53 T92 T93D43-Y45 HydrophobicContact CB-CD1 3.65Å; D43-Y45 HydrophobicContact CB-CE1 3.2Å; D43-Y45 HydrophobicContact CB-CE2 4.19Å; D43-Y45 HydrophobicContact CB-CG 4.28Å; D43-Y45 VanDerWaalsContact CB-CZ 3.48Å; D43-Y45 VanDerWaalsContact CG-CE1 3.48Å; D43-Y45 PolarHBondContact O-N 3.28Å; D43-Y45 VanDerWaalsContact O-N 3.11Å; D43-Y45 PolarHBondContact OD2-OH 2.83Å; D43-Y45 VanDerWaalsContact OD2-OH 3.05Å; Y45-N47 HydrophobicContact CD2-CB 3.65Å; Y45-N47 WeakPolarHBondContact CD2-O 3.38Å; Y45-N47 HydrophobicContact CE2-CB 3.81Å; Y45-N47 WeakPolarHBondContact CE2-O 3.34Å; Y45-F53 HydrophobicContact CD1-CE2 4.25Å; Y45-F53 HydrophobicContact CD1-CZ 4.08Å; Y45-F53 AromaticContact CD2-CZ 3.94Å; Y45-F53 HydrophobicContact CD2-CZ 3.94Å; Y45-F53 AromaticContact CE1-CE2 3.77Å; Y45-F53 HydrophobicContact CE1-CE2 3.77Å; Y45-F53 AromaticContact CE1-CZ 3.99Å; Y45-F53 HydrophobicContact CE1-CZ 3.99Å; Y45-F53 HydrophobicContact CE2-CE2 4.16Å; Y45-F53 AromaticContact CE2-CZ 3.84Å; Y45-F53 HydrophobicContact CE2-CZ 3.84Å; Y45-F53 HydrophobicContact CG-CZ 4.09Å; Y45-F53 AromaticContact CZ-CE2 3.77Å; Y45-F53 AromaticContact CZ-CZ 3.92Å; Y45-T92 HydrophobicContact CD2-CG2 4.41Å; Y45-T92 HydrophobicContact CE2-CG2 3.56Å; Y45-T93 WeakPolarHBondContact O-CB 3.5Å; Y45-T93 PolarHBondContact O-N 3.04Å
46L96.6Very high94.6Very high119 Ų11933.1 Ų33.162%0.62318%0.182SC*.SBendtrans-83.8-18.1-175-66.1177.2000114.4T93 G94 Y97L46-T93 HydrophobicContact CD2-CG2 3.7Å; L46-G94 WeakPolarHBondContact O-CA 3.44Å; L46-G94 PolarHBondContact O-N 3.45Å; L46-Y97 HydrophobicContact CD2-CD2 4.44Å; L46-Y97 HydrophobicContact CD2-CE2 4.13Å
47N96.5Very high94.3Very high66 Ų6638 Ų3835%0.35320%0.204SC..  trans-56.8145173.5-62.868.1000110.9Y45 F53 T92Y45-N47 HydrophobicContact CD2-CB 3.65Å; Y45-N47 WeakPolarHBondContact CD2-O 3.38Å; Y45-N47 HydrophobicContact CE2-CB 3.81Å; Y45-N47 WeakPolarHBondContact CE2-O 3.34Å; N47-F53 HydrophobicContact CB-CE1 3.85Å; N47-F53 HydrophobicContact CB-CZ 3.87Å; N47-F53 WeakPolarHBondContact ND2-CE1 3.47Å; N47-T92 WeakPolarHBondContact O-CB 3.41Å; N47-T92 PolarHBondContact O-OG1 3.37Å
48I95.3Very high93.6Very high79 Ų7942.3 Ų42.341%0.40522%0.223SC..SBendtrans-72.4-40.7179-67.9170.3000110.1T92 K95I48-T92 WeakPolarHBondContact O-CG2 3.21Å; I48-T92 PolarHBondContact O-OG1 2.99Å; I48-K95 HydrophobicContact CG2-CG 3.91Å; I48-K95 WeakPolarHBondContact O-CE 3.45Å; I48-K95 WeakPolarHBondContact O-CG 3.35Å
49D93.9Very high93.3Very high52 Ų5242.6 Ų42.628%0.27823%0.226SC..  trans-143.2174.5-178.462.540.7000111.1G51 E69D49-G51 PolarHBondContact OD1-N 3.44Å; D49-E69 WeakPolarHBondContact CB-O 3.36Å
50A94.6Very high93Very high4 Ų443.3 Ų43.33%0.03323%0.23CC..SBendtrans-87.9-6.8178.800000113.2T52 F53 V61 E69A50-T52 PolarHBondContact O-N 3.25Å; A50-T52 VanDerWaalsContact O-N 3.11Å; A50-F53 HydrophobicContact CB-CD2 3.88Å; A50-F53 HydrophobicContact CB-CE2 4.22Å; A50-F53 WeakPolarHBondContact O-CB 3.41Å; A50-F53 PolarHBondContact O-N 3.25Å; A50-V61 HydrophobicContact CB-CG1 4.4Å; A50-V61 VanDerWaalsContact O-CG2 3.23Å; A50-V61 WeakPolarHBondContact O-CG2 3.43Å; A50-E69 PolarHBondContact N-O 3.42Å; A50-E69 VanDerWaalsContact N-O 3.12Å
51G92.5Very high92.9Very high13 Ų1343.6 Ų43.613%0.13423%0.231CC..THydrogen-bonded Turntrans-62.5-25.3-170.500000114.3D49 E69 R527D49-G51 PolarHBondContact OD1-N 3.44Å; G51-E69 VanDerWaalsContact CA-OE1 3.23Å; G51-E69 WeakPolarHBondContact CA-OE1 3.33Å; G51-E69 WeakPolarHBondContact CA-OE2 3.41Å; G51-R527 PolarHBondContact O-NH2 2.92Å
52T91.3Very high92.8Very high104 Ų10443.3 Ų43.364%0.63823%0.23SC*.THydrogen-bonded Turntrans-88.3-6.5178.5590000114.1A50A50-T52 PolarHBondContact O-N 3.25Å; A50-T52 VanDerWaalsContact O-N 3.11Å
53F91.5Very high92.8Very high33 Ų3343.3 Ų43.315%0.14523%0.23CC..  trans-73.3141.3-179.4-66.6-23.6000112.4Y45 N47 A50 H58Y45-F53 HydrophobicContact CD1-CE2 4.25Å; Y45-F53 HydrophobicContact CD1-CZ 4.08Å; Y45-F53 AromaticContact CD2-CZ 3.94Å; Y45-F53 HydrophobicContact CD2-CZ 3.94Å; Y45-F53 AromaticContact CE1-CE2 3.77Å; Y45-F53 HydrophobicContact CE1-CE2 3.77Å; Y45-F53 AromaticContact CE1-CZ 3.99Å; Y45-F53 HydrophobicContact CE1-CZ 3.99Å; Y45-F53 HydrophobicContact CE2-CE2 4.16Å; Y45-F53 AromaticContact CE2-CZ 3.84Å; Y45-F53 HydrophobicContact CE2-CZ 3.84Å; Y45-F53 HydrophobicContact CG-CZ 4.09Å; Y45-F53 AromaticContact CZ-CE2 3.77Å; Y45-F53 AromaticContact CZ-CZ 3.92Å; N47-F53 HydrophobicContact CB-CE1 3.85Å; N47-F53 HydrophobicContact CB-CZ 3.87Å; N47-F53 WeakPolarHBondContact ND2-CE1 3.47Å; A50-F53 HydrophobicContact CB-CD2 3.88Å; A50-F53 HydrophobicContact CB-CE2 4.22Å; A50-F53 WeakPolarHBondContact O-CB 3.41Å; A50-F53 PolarHBondContact O-N 3.25Å; F53-H58 HydrophobicContact CD2-CB 4.19Å; F53-H58 AromaticContact CD2-CD2 3.84Å; F53-H58 AromaticContact CE2-CD2 3.74Å
54S89.8Confident92.8Very high48 Ų4843 Ų4334%0.33623%0.228SC..  trans-69.4135.5161.6171.10000108.5F56 E57S54-F56 PolarHBondContact O-N 3.2Å; S54-F56 PolarHBondContact OG-N 3.43Å; S54-E57 PolarHBondContact O-N 2.9Å
55P88.5Confident92.8Very high19 Ų1944.2 Ų44.212%0.12323%0.234CC..Hα-helixtrans-58.4-12.6175.7-2735000115.3G59 Y311 A317P55-G59 VanDerWaalsContact CA-O 3.27Å; P55-G59 WeakPolarHBondContact CA-O 3.43Å; P55-G59 CarbonylContact O-C 3.57Å; P55-G59 VanDerWaalsContact O-CA 3.29Å; P55-G59 WeakPolarHBondContact O-CA 3.48Å; P55-G59 PolarHBondContact O-N 2.92Å; P55-Y311 HydrophobicContact CB-CD1 3.94Å; P55-Y311 HydrophobicContact CB-CD2 4.35Å; P55-Y311 HydrophobicContact CB-CE1 4.17Å; P55-Y311 HydrophobicContact CB-CG 4.08Å; P55-Y311 HydrophobicContact CG-CD1 4.3Å; P55-Y311 HydrophobicContact CG-CD2 4.37Å; P55-Y311 HydrophobicContact CG-CE1 4.05Å; P55-Y311 HydrophobicContact CG-CE2 4.12Å; P55-Y311 HydrophobicContact CG-CG 4.49Å; P55-A317 HydrophobicContact CB-CB 4.01Å
56F86Confident92.8Very high54 Ų5446.2 Ų46.224%0.23725%0.247CC..Hα-helixtrans-78.5-19.7174.6-69.2-53.8000114.6S54 Y311 F314S54-F56 PolarHBondContact O-N 3.2Å; S54-F56 PolarHBondContact OG-N 3.43Å; F56-Y311 AromaticContact CD1-CD1 3.88Å; F56-Y311 HydrophobicContact CD1-CD1 3.88Å; F56-Y311 AromaticContact CD2-CD1 3.61Å; F56-Y311 HydrophobicContact CD2-CD1 3.61Å; F56-Y311 AromaticContact CD2-CE1 3.78Å; F56-Y311 HydrophobicContact CD2-CE1 3.78Å; F56-Y311 AromaticContact CE1-CD1 3.6Å; F56-Y311 HydrophobicContact CE1-CD1 3.6Å; F56-Y311 HydrophobicContact CE1-CG 4.22Å; F56-Y311 AromaticContact CE2-CD1 3.27Å; F56-Y311 HydrophobicContact CE2-CD1 3.27Å; F56-Y311 AromaticContact CE2-CE1 3.51Å; F56-Y311 HydrophobicContact CE2-CE1 3.51Å; F56-Y311 HydrophobicContact CE2-CG 4.44Å; F56-Y311 AromaticContact CG-CD1 3.91Å; F56-Y311 HydrophobicContact CG-CD1 3.91Å; F56-Y311 HydrophobicContact CG-CE1 4.44Å; F56-Y311 AromaticContact CZ-CD1 3.29Å; F56-Y311 HydrophobicContact CZ-CD1 3.29Å; F56-Y311 AromaticContact CZ-CE1 3.99Å; F56-Y311 HydrophobicContact CZ-CE1 3.99Å; F56-Y311 HydrophobicContact CZ-CG 4.09Å; F56-F314 AromaticContact CD1-CD2 3.66Å; F56-F314 HydrophobicContact CD1-CD2 3.66Å; F56-F314 HydrophobicContact CD1-CE2 4.09Å; F56-F314 HydrophobicContact CE1-CD2 4.25Å
57E85.6Confident92.7Very high143 Ų14341.1 Ų41.167%0.66822%0.224SC*.Hα-helixtrans-86.2-53.1-174.6-62.7-63.4143.500111.7S54S54-E57 PolarHBondContact O-N 2.9Å
58H83.1Confident92.7Very high93 Ų9339 Ų3943%0.43121%0.214SC..Hα-helixtrans-1248.7-173.1-73-75.3000113.6F53 L72F53-H58 HydrophobicContact CD2-CB 4.19Å; F53-H58 AromaticContact CD2-CD2 3.84Å; F53-H58 AromaticContact CE2-CD2 3.74Å; H58-L72 VanDerWaalsContact O-CD2 3.25Å; H58-L72 WeakPolarHBondContact O-CD2 3.43Å
59G91Very high92.7Very high6 Ų636.6 Ų36.66%0.06220%0.201CC..SBendtrans84.6-163.8-171.300000112.3P55 D316P55-G59 VanDerWaalsContact CA-O 3.27Å; P55-G59 WeakPolarHBondContact CA-O 3.43Å; P55-G59 CarbonylContact O-C 3.57Å; P55-G59 VanDerWaalsContact O-CA 3.29Å; P55-G59 WeakPolarHBondContact O-CA 3.48Å; P55-G59 PolarHBondContact O-N 2.92Å; G59-D316 WeakPolarHBondContact CA-O 3.31Å
60E92.8Very high92.9Very high16 Ų1634.1 Ų34.18%0.07519%0.188CC..PPolyproline II helixtrans-60.9149.2-178.969.6-174.4-171.800113L72 D316 L319 S320E60-L72 HydrophobicContact CG-CB 4.22Å; E60-D316 PolarHBondContact N-O 3.35Å; E60-L319 PolarHBondContact OE2-N 3.46Å; E60-S320 WeakPolarHBondContact OE1-CA 3.42Å; E60-S320 WeakPolarHBondContact OE1-CB 3.38Å; E60-S320 PolarHBondContact OE1-N 2.87Å; E60-S320 PolarHBondContact OE1-OG 2.87Å; E60-S320 WeakPolarHBondContact OE2-CB 3.02Å; E60-S320 PolarHBondContact OE2-N 3.32Å
61V95.9Very high92.9Very high6 Ų634.6 Ų34.64%0.03619%0.19CC..PPolyproline II helixtrans-79.4124.1165179.30000107.6A50 E69 Y596A50-V61 HydrophobicContact CB-CG1 4.4Å; A50-V61 VanDerWaalsContact O-CG2 3.23Å; A50-V61 WeakPolarHBondContact O-CG2 3.43Å; V61-E69 HydrophobicContact CG1-CB 3.67Å; V61-E69 HydrophobicContact CG1-CG 4.12Å; V61-Y596 PolarHBondContact O-OH 3.49Å
62Y97Very high93Very high0 Ų034.8 Ų34.80%019%0.188CC..EExtended strand (participates in β ladder)trans-92.4136.7175-166.2-101.5000109.7L64 V70 G75 E78 R525 Y596Y62-L64 HydrophobicContact CD1-CD2 3.82Å; Y62-L64 HydrophobicContact CE1-CD2 3.76Å; Y62-V70 HydrophobicContact CD1-CG2 4.04Å; Y62-V70 PolarHBondContact N-O 3.19Å; Y62-V70 WeakPolarHBondContact O-CG2 3.49Å; Y62-V70 PolarHBondContact O-N 3.31Å; Y62-G75 VanDerWaalsContact CE1-CA 3.43Å; Y62-G75 VanDerWaalsContact CE2-CA 3.47Å; Y62-E78 PolarHBondContact OH-OE2 3.12Å; Y62-R525 VanDerWaalsContact CE1-NH1 3.28Å; Y62-R525 PolarHBondContact OH-NH1 3.3Å; Y62-Y596 AromaticContact CD2-CD1 3.41Å; Y62-Y596 HydrophobicContact CD2-CD1 3.41Å; Y62-Y596 VanDerWaalsContact CD2-CD1 3.41Å; Y62-Y596 AromaticContact CD2-CE1 3.78Å; Y62-Y596 HydrophobicContact CD2-CE1 3.78Å; Y62-Y596 HydrophobicContact CD2-CG 4.26Å; Y62-Y596 AromaticContact CE2-CD1 3.41Å; Y62-Y596 HydrophobicContact CE2-CD1 3.41Å; Y62-Y596 VanDerWaalsContact CE2-CD1 3.41Å; Y62-Y596 HydrophobicContact CE2-CE1 4.26Å; Y62-Y596 AromaticContact CE2-CG 3.98Å; Y62-Y596 HydrophobicContact CE2-CG 3.98Å; Y62-Y596 HydrophobicContact CG-CD1 4.35Å; Y62-Y596 PolarHBondContact OH-O 3.15Å
63V97.5Very high93.1Very high0 Ų031.1 Ų31.10%016%0.164CC..EExtended strand (participates in β ladder)trans-108132.3179-1790000109.2S68 R525 R527 Y596V63-S68 WeakPolarHBondContact CA-O 3.49Å; V63-R525 WeakPolarHBondContact O-CD 3.34Å; V63-R525 PolarHBondContact O-NH1 3.03Å; V63-R527 HydrophobicContact CG2-CB 4.1Å; V63-R527 HydrophobicContact CG2-CG 4.22Å; V63-Y596 HydrophobicContact CB-CD2 4.18Å; V63-Y596 HydrophobicContact CB-CE2 3.9Å; V63-Y596 HydrophobicContact CG2-CE2 3.94Å
64L97.6Very high93.4Very high0 Ų029.6 Ų29.60%016%0.157CC..  trans-90.2170.7174.9-59.4-175.5000111.9Y62 D66 G67 S68 V70 L74 L85 N86Y62-L64 HydrophobicContact CD1-CD2 3.82Å; Y62-L64 HydrophobicContact CE1-CD2 3.76Å; L64-D66 PolarHBondContact O-N 3.36Å; L64-G67 PolarHBondContact O-N 3.04Å; L64-G67 VanDerWaalsContact O-N 3.11Å; L64-S68 WeakPolarHBondContact CD1-OG 3.48Å; L64-S68 PolarHBondContact N-O 3.01Å; L64-V70 HydrophobicContact CD1-CG1 3.9Å; L64-V70 HydrophobicContact CD1-CG2 4.08Å; L64-V70 HydrophobicContact CD2-CG2 3.94Å; L64-V70 HydrophobicContact CG-CG1 4.22Å; L64-V70 HydrophobicContact CG-CG2 3.74Å; L64-L74 HydrophobicContact CD1-CD2 4.02Å; L64-L85 HydrophobicContact CD1-CB 4.24Å; L64-L85 HydrophobicContact CD2-CB 4.28Å; L64-N86 VanDerWaalsContact CD1-O 3.28Å; L64-N86 WeakPolarHBondContact CD1-O 3.48Å
65D96.3Very high93.7Very high38 Ų3827.3 Ų27.320%0.20314%0.141CC..THydrogen-bonded Turntrans-58.7-35.7180-89.224000112.2G67 T84 R456 R525D65-G67 PolarHBondContact O-N 3.31Å; D65-T84 HydrophobicContact CB-CG2 3.92Å; D65-R456 HydrophobicContact CB-CB 4.1Å; D65-R456 PolarHBondContact O-N 3.43Å; D65-R456 WeakPolarHBondContact OD2-CD 3.49Å; D65-R456 IonicContact OD2-CZ 3.57Å; D65-R456 IonicContact OD2-NH1 2.72Å; D65-R456 PolarHBondContact OD2-NH1 2.72Å; D65-R456 VanDerWaalsContact OD2-NH1 3.08Å; D65-R525 IonicContact OD1-CZ 3.74Å; D65-R525 IonicContact OD1-NE 2.66Å; D65-R525 PolarHBondContact OD1-NE 3.46Å; D65-R525 IonicContact OD1-NH2 2.75Å; D65-R525 PolarHBondContact OD1-NH2 3.07Å
66D95.3Very high94Very high77 Ų7726.7 Ų26.741%0.41214%0.137SC..THydrogen-bonded Turntrans-79.93.7180700.4000114.7L64 S68 K87L64-D66 PolarHBondContact O-N 3.36Å; D66-S68 VanDerWaalsContact C-N 3.34Å; D66-S68 WeakPolarHBondContact OD1-CB 3.49Å; D66-S68 PolarHBondContact OD1-N 2.91Å; D66-S68 PolarHBondContact OD1-OG 3.06Å; D66-K87 VanDerWaalsContact OD2-CB 3.3Å; D66-K87 WeakPolarHBondContact OD2-CB 3.22Å; D66-K87 PolarHBondContact OD2-N 3.36Å
67G95.1Very high94.5Very high13 Ų1324.1 Ų24.113%0.13413%0.126CC..  trans83.23.9177.800000115.4L64 D65L64-G67 PolarHBondContact O-N 3.04Å; L64-G67 VanDerWaalsContact O-N 3.11Å; D65-G67 PolarHBondContact O-N 3.31Å
68S95.3Very high95.1Very high20 Ų2017.3 Ų17.314%0.149%0.094CC..  trans-69.8141.5172.557.50000112.5V63 L64 D66 K87V63-S68 WeakPolarHBondContact CA-O 3.49Å; L64-S68 WeakPolarHBondContact CD1-OG 3.48Å; L64-S68 PolarHBondContact N-O 3.01Å; D66-S68 VanDerWaalsContact C-N 3.34Å; D66-S68 WeakPolarHBondContact OD1-CB 3.49Å; D66-S68 PolarHBondContact OD1-N 2.91Å; D66-S68 PolarHBondContact OD1-OG 3.06Å; S68-K87 VanDerWaalsContact CB-CB 3.42Å; S68-K87 WeakPolarHBondContact OG-CA 3.34Å; S68-K87 WeakPolarHBondContact OG-CB 3.37Å
69E96.9Very high95.7Very high29 Ų2913.1 Ų13.114%0.1367%0.074CC..EExtended strand (participates in β ladder)trans-98.8110.3178.3-65-178.795.600109.1D49 A50 G51 V61 L454 R527D49-E69 WeakPolarHBondContact CB-O 3.36Å; A50-E69 PolarHBondContact N-O 3.42Å; A50-E69 VanDerWaalsContact N-O 3.12Å; G51-E69 VanDerWaalsContact CA-OE1 3.23Å; G51-E69 WeakPolarHBondContact CA-OE1 3.33Å; G51-E69 WeakPolarHBondContact CA-OE2 3.41Å; V61-E69 HydrophobicContact CG1-CB 3.67Å; V61-E69 HydrophobicContact CG1-CG 4.12Å; E69-L454 HydrophobicContact CG-CD2 4.05Å; E69-R527 IonicContact OE1-CZ 3.91Å; E69-R527 IonicContact OE1-NE 2.71Å; E69-R527 PolarHBondContact OE1-NE 2.7Å; E69-R527 IonicContact OE1-NH2 2.8Å; E69-R527 PolarHBondContact OE1-NH2 3.44Å
70V97.1Very high95.9Very high0 Ų013.2 Ų13.20%07%0.073CC..EExtended strand (participates in β ladder)trans-126.2169-169.2-59.70000111.9Y62 L64 L74 N90Y62-V70 HydrophobicContact CD1-CG2 4.04Å; Y62-V70 PolarHBondContact N-O 3.19Å; Y62-V70 WeakPolarHBondContact O-CG2 3.49Å; Y62-V70 PolarHBondContact O-N 3.31Å; L64-V70 HydrophobicContact CD1-CG1 3.9Å; L64-V70 HydrophobicContact CD1-CG2 4.08Å; L64-V70 HydrophobicContact CD2-CG2 3.94Å; L64-V70 HydrophobicContact CG-CG1 4.22Å; L64-V70 HydrophobicContact CG-CG2 3.74Å; V70-L74 HydrophobicContact CB-CD1 4.27Å; V70-L74 HydrophobicContact CB-CD2 4.04Å; V70-L74 HydrophobicContact CG1-CD2 4.22Å; V70-L74 HydrophobicContact CG2-CB 3.88Å; V70-L74 HydrophobicContact CG2-CD1 4.34Å; V70-L74 HydrophobicContact CG2-CD2 3.87Å; V70-L74 HydrophobicContact CG2-CG 4.24Å; V70-N90 HydrophobicContact CB-CB 4.14Å; V70-N90 HydrophobicContact CG1-CB 3.73Å
71D95Very high95.9Very high14 Ų1412.6 Ų12.68%0.0757%0.07CC..  trans-62.1149.8173.8178.8-92.5000112.6K41 D43 D73 L74K41-D71 IonicContact NZ-OD1 3.83Å; K41-D71 PolarHBondContact NZ-OD1 3.37Å; K41-D71 IonicContact NZ-OD2 3.54Å; D43-D71 WeakPolarHBondContact OD2-CB 3.42Å; D71-D73 PolarHBondContact O-N 3.43Å; D71-D73 VanDerWaalsContact O-N 3.14Å; D71-D73 VanDerWaalsContact OD1-CB 3.27Å; D71-D73 WeakPolarHBondContact OD1-CB 3.4Å; D71-D73 PolarHBondContact OD1-N 3.27Å; D71-L74 HydrophobicContact CB-CD1 4.35Å; D71-L74 PolarHBondContact O-N 2.95Å
72L93.8Very high95.8Very high17 Ų1715.7 Ų15.79%0.0899%0.087CC..Hα-helixtrans-61-22.3-176.166.379.5000114.6H58 E60 L74 G75 N76 L319H58-L72 VanDerWaalsContact O-CD2 3.25Å; H58-L72 WeakPolarHBondContact O-CD2 3.43Å; E60-L72 HydrophobicContact CG-CB 4.22Å; L72-L74 PolarHBondContact O-N 3.03Å; L72-G75 WeakPolarHBondContact O-CA 3.42Å; L72-G75 PolarHBondContact O-N 3.37Å; L72-N76 PolarHBondContact O-N 3.02Å; L72-L319 HydrophobicContact CD1-CD2 3.82Å; L72-L319 HydrophobicContact CD2-CD2 4.38Å
73D95.1Very high95.7Very high28 Ų2815.9 Ų15.915%0.159%0.088CC..Hα-helixtrans-67.2-28.5-179.6-76.8-39.8000111.9K41 D71 G75 N76 Y77K41-D73 HydrophobicContact CD-CB 4.07Å; K41-D73 WeakPolarHBondContact CE-OD2 3.44Å; K41-D73 IonicContact NZ-OD2 3.86Å; K41-D73 PolarHBondContact NZ-OD2 3.39Å; D71-D73 PolarHBondContact O-N 3.43Å; D71-D73 VanDerWaalsContact O-N 3.14Å; D71-D73 VanDerWaalsContact OD1-CB 3.27Å; D71-D73 WeakPolarHBondContact OD1-CB 3.4Å; D71-D73 PolarHBondContact OD1-N 3.27Å; D73-G75 PolarHBondContact O-N 3.39Å; D73-N76 WeakPolarHBondContact O-CA 3.36Å; D73-N76 VanDerWaalsContact O-CB 3.29Å; D73-N76 WeakPolarHBondContact O-CB 3.33Å; D73-N76 PolarHBondContact O-N 3.27Å; D73-N76 PolarHBondContact OD1-ND2 2.92Å; D73-N76 VanDerWaalsContact OD1-ND2 3.12Å; D73-Y77 HydrophobicContact CB-CE1 4.49Å; D73-Y77 HydrophobicContact CB-CE2 4.49Å; D73-Y77 WeakPolarHBondContact O-CD1 3.27Å; D73-Y77 WeakPolarHBondContact O-CD2 3.37Å; D73-Y77 PolarHBondContact O-N 3.27Å
74L97.1Very high95.6Very high0 Ų018.8 Ų18.80%011%0.106CC..Hα-helixtrans-63-36.2172.9-76.982.4000111.3K41 L64 V70 D71 L72 N76 Y77 E78 L85 N89 N90K41-L74 HydrophobicContact CB-CD1 3.46Å; K41-L74 VanDerWaalsContact CB-CD1 3.46Å; K41-L74 HydrophobicContact CB-CG 4.33Å; K41-L74 HydrophobicContact CG-CD1 3.94Å; L64-L74 HydrophobicContact CD1-CD2 4.02Å; V70-L74 HydrophobicContact CB-CD1 4.27Å; V70-L74 HydrophobicContact CB-CD2 4.04Å; V70-L74 HydrophobicContact CG1-CD2 4.22Å; V70-L74 HydrophobicContact CG2-CB 3.88Å; V70-L74 HydrophobicContact CG2-CD1 4.34Å; V70-L74 HydrophobicContact CG2-CD2 3.87Å; V70-L74 HydrophobicContact CG2-CG 4.24Å; D71-L74 HydrophobicContact CB-CD1 4.35Å; D71-L74 PolarHBondContact O-N 2.95Å; L72-L74 PolarHBondContact O-N 3.03Å; L74-N76 VanDerWaalsContact C-N 3.3Å; L74-N76 PolarHBondContact O-N 3.13Å; L74-Y77 HydrophobicContact CG-CD2 4.38Å; L74-Y77 HydrophobicContact CG-CE2 4.45Å; L74-Y77 PolarHBondContact O-N 3.44Å; L74-E78 PolarHBondContact O-N 3.48Å; L74-L85 HydrophobicContact CB-CD1 4.06Å; L74-L85 HydrophobicContact CD2-CD1 4.09Å; L74-L85 HydrophobicContact CG-CD1 4.05Å; L74-N89 HydrophobicContact CD2-CB 4.31Å; L74-N90 HydrophobicContact CD1-CB 4.19Å; L74-N90 HydrophobicContact CD2-CB 3.8Å
75G95.7Very high95.6Very high0 Ų019 Ų190%011%0.107CC..Hα-helixtrans-65.4-32.917200000113Y62 L72 D73 R79Y62-G75 VanDerWaalsContact CE1-CA 3.43Å; Y62-G75 VanDerWaalsContact CE2-CA 3.47Å; L72-G75 WeakPolarHBondContact O-CA 3.42Å; L72-G75 PolarHBondContact O-N 3.37Å; D73-G75 PolarHBondContact O-N 3.39Å; G75-R79 VanDerWaalsContact C-CZ 3.49Å; G75-R79 VanDerWaalsContact O-CB 3.27Å; G75-R79 WeakPolarHBondContact O-CB 3.44Å; G75-R79 VanDerWaalsContact O-CG 3.22Å; G75-R79 WeakPolarHBondContact O-CG 3.49Å; G75-R79 VanDerWaalsContact O-CZ 3.28Å; G75-R79 PolarHBondContact O-N 2.82Å; G75-R79 PolarHBondContact O-NE 3.07Å; G75-R79 PolarHBondContact O-NH1 3.42Å
76N94.9Very high95.6Very high6 Ų618.7 Ų18.73%0.03211%0.105CC..Hα-helixtrans-63.5-46.5171.3-66.3-36.2000111L72 D73 L74 R79 F80L72-N76 PolarHBondContact O-N 3.02Å; D73-N76 WeakPolarHBondContact O-CA 3.36Å; D73-N76 VanDerWaalsContact O-CB 3.29Å; D73-N76 WeakPolarHBondContact O-CB 3.33Å; D73-N76 PolarHBondContact O-N 3.27Å; D73-N76 PolarHBondContact OD1-ND2 2.92Å; D73-N76 VanDerWaalsContact OD1-ND2 3.12Å; L74-N76 VanDerWaalsContact C-N 3.3Å; L74-N76 PolarHBondContact O-N 3.13Å; N76-R79 PolarHBondContact O-N 3.22Å; N76-R79 PolarHBondContact OD1-NH1 2.97Å; N76-F80 WeakPolarHBondContact O-CB 3.48Å; N76-F80 WeakPolarHBondContact O-CD2 3.11Å; N76-F80 PolarHBondContact O-N 3.48Å
77Y97.3Very high95.6Very high1 Ų120.3 Ų20.30%0.00411%0.109CC..Hα-helixtrans-61.6-48.8178.6-50.3-31.6000111.9S24 C39 K41 D73 L74 R79 F80 L81 L85 E149S24-Y77 WeakPolarHBondContact OG-CD1 3.42Å; C39-Y77 HydrophobicContact CB-CD1 4.46Å; C39-Y77 HydrophobicContact CB-CD2 3.46Å; C39-Y77 VanDerWaalsContact CB-CD2 3.46Å; C39-Y77 HydrophobicContact CB-CE2 3.99Å; C39-Y77 HydrophobicContact CB-CG 3.74Å; K41-Y77 HydrophobicContact CB-CE2 4.17Å; K41-Y77 WeakPolarHBondContact CD-OH 3.33Å; D73-Y77 HydrophobicContact CB-CE1 4.49Å; D73-Y77 HydrophobicContact CB-CE2 4.49Å; D73-Y77 WeakPolarHBondContact O-CD1 3.27Å; D73-Y77 WeakPolarHBondContact O-CD2 3.37Å; D73-Y77 PolarHBondContact O-N 3.27Å; L74-Y77 HydrophobicContact CG-CD2 4.38Å; L74-Y77 HydrophobicContact CG-CE2 4.45Å; L74-Y77 PolarHBondContact O-N 3.44Å; Y77-R79 VanDerWaalsContact C-N 3.29Å; Y77-R79 PolarHBondContact O-N 3.03Å; Y77-F80 PolarHBondContact O-N 2.97Å; Y77-L81 WeakPolarHBondContact O-CB 3.49Å; Y77-L81 WeakPolarHBondContact O-CD1 3.35Å; Y77-L81 PolarHBondContact O-N 3.23Å; Y77-L85 HydrophobicContact CD2-CD1 3.97Å; Y77-E149 VanDerWaalsContact OH-CB 3.24Å; Y77-E149 WeakPolarHBondContact OH-CB 3.35Å; Y77-E149 PolarHBondContact OH-OE2 3.05Å
78E97.1Very high95.7Very high0 Ų022.2 Ų22.20%012%0.115CC..Hα-helixtrans-59.4-41.1178.1-72.1-156.9162.200111.8Y62 L74 N82 I83 T84 L85 R525 R599Y62-E78 PolarHBondContact OH-OE2 3.12Å; L74-E78 PolarHBondContact O-N 3.48Å; E78-N82 VanDerWaalsContact O-CA 3.31Å; E78-N82 WeakPolarHBondContact O-CA 3.4Å; E78-N82 PolarHBondContact O-N 3.01Å; E78-I83 WeakPolarHBondContact CB-O 3.35Å; E78-I83 VanDerWaalsContact CG-O 3.31Å; E78-I83 WeakPolarHBondContact CG-O 3.5Å; E78-T84 WeakPolarHBondContact OE1-CA 3.35Å; E78-L85 HydrophobicContact CG-CB 4.46Å; E78-L85 HydrophobicContact CG-CD1 4.23Å; E78-L85 HydrophobicContact CG-CG 4.04Å; E78-L85 PolarHBondContact OE1-N 2.74Å; E78-R525 IonicContact OE1-CZ 2.91Å; E78-R525 IonicContact OE1-NH1 3.37Å; E78-R525 IonicContact OE1-NH2 3.09Å; E78-R525 PolarHBondContact OE1-NH2 3.45Å; E78-R525 VanDerWaalsContact OE1-NH2 3.13Å; E78-R525 IonicContact OE2-CZ 2.71Å; E78-R525 VanDerWaalsContact OE2-CZ 3.27Å; E78-R525 IonicContact OE2-NH1 2.76Å; E78-R525 PolarHBondContact OE2-NH1 3.06Å; E78-R525 IonicContact OE2-NH2 3.17Å; E78-R525 PolarHBondContact OE2-NH2 3.38Å; E78-R599 WeakPolarHBondContact O-CD 3.34Å; E78-R599 PolarHBondContact O-NE 3.27Å; E78-R599 VanDerWaalsContact O-NE 3.16Å; E78-R599 IonicContact OE2-CZ 3.83Å; E78-R599 IonicContact OE2-NH2 3.82Å; E78-R599 PolarHBondContact OE2-NH2 2.98Å
79R95.5Very high95.8Very high4 Ų421.2 Ų21.22%0.01511%0.109CC..Hα-helixtrans-65.2-42.9178.5-78.4-174.4-105.398.3-2.5113.2G75 N76 Y77 S320 S598 P600G75-R79 VanDerWaalsContact C-CZ 3.49Å; G75-R79 VanDerWaalsContact O-CB 3.27Å; G75-R79 WeakPolarHBondContact O-CB 3.44Å; G75-R79 VanDerWaalsContact O-CG 3.22Å; G75-R79 WeakPolarHBondContact O-CG 3.49Å; G75-R79 VanDerWaalsContact O-CZ 3.28Å; G75-R79 PolarHBondContact O-N 2.82Å; G75-R79 PolarHBondContact O-NE 3.07Å; G75-R79 PolarHBondContact O-NH1 3.42Å; N76-R79 PolarHBondContact O-N 3.22Å; N76-R79 PolarHBondContact OD1-NH1 2.97Å; Y77-R79 VanDerWaalsContact C-N 3.29Å; Y77-R79 PolarHBondContact O-N 3.03Å; R79-S320 PolarHBondContact NH2-OG 2.81Å; R79-S598 WeakPolarHBondContact CG-O 3.49Å; R79-P600 WeakPolarHBondContact O-CD 3.21Å
80F95Very high95.9Very high9 Ų919.9 Ų19.94%0.03910%0.102CC..Hα-helixtrans-81.8-38.8-175.9-88.6-113.5000113.4I21 T28 N76 Y77 L253 Y254 P257 W289I21-F80 HydrophobicContact CD1-CZ 4.48Å; T28-F80 PolarHBondContact OG1-O 3.36Å; T28-F80 VanDerWaalsContact OG1-O 3.07Å; N76-F80 WeakPolarHBondContact O-CB 3.48Å; N76-F80 WeakPolarHBondContact O-CD2 3.11Å; N76-F80 PolarHBondContact O-N 3.48Å; Y77-F80 PolarHBondContact O-N 2.97Å; F80-L253 HydrophobicContact CZ-CB 4.34Å; F80-Y254 HydrophobicContact CD2-CE1 4.38Å; F80-Y254 HydrophobicContact CE1-CD1 4.14Å; F80-Y254 HydrophobicContact CE2-CD1 4.06Å; F80-Y254 AromaticContact CE2-CE1 3.68Å; F80-Y254 HydrophobicContact CE2-CE1 3.68Å; F80-Y254 AromaticContact CZ-CD1 3.66Å; F80-Y254 HydrophobicContact CZ-CD1 3.66Å; F80-Y254 AromaticContact CZ-CE1 3.78Å; F80-Y254 HydrophobicContact CZ-CE1 3.78Å; F80-P257 HydrophobicContact CD1-CG 4.25Å; F80-P257 HydrophobicContact CE1-CG 4.01Å; F80-W289 HydrophobicContact CB-CH2 4.32Å; F80-W289 AromaticContact CD1-CH2 3.38Å; F80-W289 HydrophobicContact CD1-CH2 3.38Å; F80-W289 HydrophobicContact CD1-CZ2 4.27Å; F80-W289 AromaticContact CD1-CZ3 3.94Å; F80-W289 HydrophobicContact CD1-CZ3 3.94Å; F80-W289 AromaticContact CE1-CH2 3.75Å; F80-W289 HydrophobicContact CE1-CH2 3.75Å; F80-W289 AromaticContact CE1-CZ3 3.84Å; F80-W289 HydrophobicContact CE1-CZ3 3.84Å; F80-W289 AromaticContact CG-CH2 3.84Å; F80-W289 HydrophobicContact CG-CH2 3.84Å; F80-W289 HydrophobicContact CZ-CH2 4.48Å; F80-W289 WeakPolarHBondContact O-CZ2 3.48Å
81L94.2Very high96Very high2 Ų219.9 Ų19.91%0.0110%0.102CC..Hα-helixtrans-93.4-13.3-175.3-75.273.2000112.4S24 K31 V37 Y77 I83S24-L81 WeakPolarHBondContact O-CD1 3.46Å; K31-L81 VanDerWaalsContact CD-O 3.26Å; K31-L81 WeakPolarHBondContact CD-O 3.1Å; K31-L81 WeakPolarHBondContact CE-O 3.38Å; K31-L81 PolarHBondContact NZ-O 3.02Å; V37-L81 HydrophobicContact CB-CD2 3.94Å; V37-L81 HydrophobicContact CG1-CD2 3.67Å; Y77-L81 WeakPolarHBondContact O-CB 3.49Å; Y77-L81 WeakPolarHBondContact O-CD1 3.35Å; Y77-L81 PolarHBondContact O-N 3.23Å; L81-I83 HydrophobicContact CB-CB 4.49Å; L81-I83 HydrophobicContact CB-CD1 3.99Å; L81-I83 HydrophobicContact CB-CG1 3.94Å; L81-I83 HydrophobicContact CB-CG2 3.94Å; L81-I83 HydrophobicContact CD2-CD1 3.88Å
82N93.2Very high96.1Very high72 Ų7219.2 Ų19.239%0.38510%0.099SC..THydrogen-bonded Turntrans5259.2-170-163.851.4000111.1K31 E78K31-N82 PolarHBondContact NZ-O 3.4Å; E78-N82 VanDerWaalsContact O-CA 3.31Å; E78-N82 WeakPolarHBondContact O-CA 3.4Å; E78-N82 PolarHBondContact O-N 3.01Å
83I94.8Very high96.3Very high4 Ų418.7 Ų18.72%0.02110%0.096CC..  trans-127165.1177.362.5177.9000109.2E78 L81 L85 V136 D137E78-I83 WeakPolarHBondContact CB-O 3.35Å; E78-I83 VanDerWaalsContact CG-O 3.31Å; E78-I83 WeakPolarHBondContact CG-O 3.5Å; L81-I83 HydrophobicContact CB-CB 4.49Å; L81-I83 HydrophobicContact CB-CD1 3.99Å; L81-I83 HydrophobicContact CB-CG1 3.94Å; L81-I83 HydrophobicContact CB-CG2 3.94Å; L81-I83 HydrophobicContact CD2-CD1 3.88Å; I83-L85 HydrophobicContact CD1-CD2 3.67Å; I83-L85 HydrophobicContact CD1-CG 4.27Å; I83-L85 HydrophobicContact CG1-CD2 4.25Å; I83-L85 HydrophobicContact CG1-CG 4.43Å; I83-V136 CarbonylContact C-O 3.55Å; I83-V136 WeakPolarHBondContact CA-O 3.34Å; I83-V136 HydrophobicContact CB-CB 4.28Å; I83-V136 HydrophobicContact CB-CG2 4.1Å; I83-V136 WeakPolarHBondContact CB-O 3.47Å; I83-V136 HydrophobicContact CD1-CG2 4.18Å; I83-V136 HydrophobicContact CG2-CG2 4.11Å; I83-D137 HydrophobicContact CG2-CB 4.3Å
84T95.9Very high96.4Very high61 Ų6117.8 Ų17.837%0.3749%0.094SC..  trans-118.8114.6174.6-54.90000108.6D65 E78 V136D65-T84 HydrophobicContact CB-CG2 3.92Å; E78-T84 WeakPolarHBondContact OE1-CA 3.35Å; T84-V136 PolarHBondContact N-O 2.61Å; T84-V136 WeakPolarHBondContact O-CB 3.3Å
85L97.3Very high96.5Very high4 Ų419.3 Ų19.32%0.02110%0.101CC..  trans-90.8162.8179.7-60.5177.5000110.4L64 L74 Y77 E78 I83 N89 V136L64-L85 HydrophobicContact CD1-CB 4.24Å; L64-L85 HydrophobicContact CD2-CB 4.28Å; L74-L85 HydrophobicContact CB-CD1 4.06Å; L74-L85 HydrophobicContact CD2-CD1 4.09Å; L74-L85 HydrophobicContact CG-CD1 4.05Å; Y77-L85 HydrophobicContact CD2-CD1 3.97Å; E78-L85 HydrophobicContact CG-CB 4.46Å; E78-L85 HydrophobicContact CG-CD1 4.23Å; E78-L85 HydrophobicContact CG-CG 4.04Å; E78-L85 PolarHBondContact OE1-N 2.74Å; I83-L85 HydrophobicContact CD1-CD2 3.67Å; I83-L85 HydrophobicContact CD1-CG 4.27Å; I83-L85 HydrophobicContact CG1-CD2 4.25Å; I83-L85 HydrophobicContact CG1-CG 4.43Å; L85-N89 HydrophobicContact CB-CB 4.12Å; L85-N89 HydrophobicContact CD2-CB 4.27Å; L85-V136 HydrophobicContact CD2-CB 4.44Å; L85-V136 HydrophobicContact CD2-CG1 4.08Å
86N95.4Very high96.6Very high32 Ų3219.4 Ų19.417%0.17110%0.101CC..  trans-120.2174.7172.966.857.5000111.3L64 D88 N89L64-N86 VanDerWaalsContact CD1-O 3.28Å; L64-N86 WeakPolarHBondContact CD1-O 3.48Å; N86-D88 PolarHBondContact O-N 3.2Å; N86-D88 WeakPolarHBondContact OD1-CA 3.44Å; N86-D88 WeakPolarHBondContact OD1-CB 3.43Å; N86-D88 PolarHBondContact OD1-N 3.42Å; N86-N89 VanDerWaalsContact CG-OD1 3.26Å; N86-N89 PolarHBondContact N-OD1 2.95Å; N86-N89 PolarHBondContact ND2-OD1 3.06Å; N86-N89 WeakPolarHBondContact O-CB 3.4Å; N86-N89 PolarHBondContact O-N 2.85Å; N86-N89 PolarHBondContact O-OD1 3.08Å; N86-N89 PolarHBondContact OD1-OD1 2.85Å
87K96.3Very high96.7Very high111 Ų11123 Ų2348%0.48312%0.115SC..G310 helixtrans-54.7-26.5-177.572.7-172.8-177.1179.60115D66 S68 N90 K95D66-K87 VanDerWaalsContact OD2-CB 3.3Å; D66-K87 WeakPolarHBondContact OD2-CB 3.22Å; D66-K87 PolarHBondContact OD2-N 3.36Å; S68-K87 VanDerWaalsContact CB-CB 3.42Å; S68-K87 WeakPolarHBondContact OG-CA 3.34Å; S68-K87 WeakPolarHBondContact OG-CB 3.37Å; K87-N90 PolarHBondContact O-N 2.98Å; K87-K95 PolarHBondContact O-NZ 3.34Å
88D97.2Very high96.8Very high52 Ų5227 Ų2728%0.27813%0.134SC..G310 helixtrans-83.6-15.9-176.5-59.3-35.1000111.6N86 N90 W127 V131N86-D88 PolarHBondContact O-N 3.2Å; N86-D88 WeakPolarHBondContact OD1-CA 3.44Å; N86-D88 WeakPolarHBondContact OD1-CB 3.43Å; N86-D88 PolarHBondContact OD1-N 3.42Å; D88-N90 PolarHBondContact O-N 3.21Å; D88-W127 HydrophobicContact CB-CZ2 4.22Å; D88-W127 PolarHBondContact O-NE1 3.3Å; D88-V131 HydrophobicContact CB-CG2 3.6Å
89N98.3Very high96.8Very high0 Ų029.8 Ų29.80%015%0.146CC..G310 helixtrans-70.4-14.5169.8-6497.4000112.9C39 I40 K41 L74 L85 N86C39-N89 PolarHBondContact O-ND2 3.43Å; I40-N89 CarbonylContact C-O 3.57Å; I40-N89 VanDerWaalsContact CA-O 3.32Å; I40-N89 WeakPolarHBondContact CA-O 3.32Å; K41-N89 PolarHBondContact N-O 3.27Å; L74-N89 HydrophobicContact CD2-CB 4.31Å; L85-N89 HydrophobicContact CB-CB 4.12Å; L85-N89 HydrophobicContact CD2-CB 4.27Å; N86-N89 VanDerWaalsContact CG-OD1 3.26Å; N86-N89 PolarHBondContact N-OD1 2.95Å; N86-N89 PolarHBondContact ND2-OD1 3.06Å; N86-N89 WeakPolarHBondContact O-CB 3.4Å; N86-N89 PolarHBondContact O-N 2.85Å; N86-N89 PolarHBondContact O-OD1 3.08Å; N86-N89 PolarHBondContact OD1-OD1 2.85Å
90N98.1Very high96.9Very high0 Ų029.9 Ų29.90%015%0.147CC..EExtended strand (participates in β ladder)trans-107.6108.6171.2177.3-109.7000110.2K41 D43 V70 L74 K87 D88 K95K41-N90 WeakPolarHBondContact O-CA 3.47Å; D43-N90 PolarHBondContact OD2-ND2 3.23Å; V70-N90 HydrophobicContact CB-CB 4.14Å; V70-N90 HydrophobicContact CG1-CB 3.73Å; L74-N90 HydrophobicContact CD1-CB 4.19Å; L74-N90 HydrophobicContact CD2-CB 3.8Å; K87-N90 PolarHBondContact O-N 2.98Å; D88-N90 PolarHBondContact O-N 3.21Å; N90-K95 WeakPolarHBondContact O-CD 3.34Å; N90-K95 PolarHBondContact O-NZ 3.16Å
91I98.1Very high97Very high0 Ų034.4 Ų34.40%017%0.17CC..EExtended strand (participates in β ladder)trans-100.6129.5177.5-55.3177.7000108.2I40 K41 I42 D43 I96 W127 V128 Y162I40-I91 HydrophobicContact CG2-CD1 3.65Å; I40-I91 HydrophobicContact CG2-CG1 3.97Å; K41-I91 PolarHBondContact O-N 3.48Å; I42-I91 CarbonylContact C-O 3.55Å; I42-I91 WeakPolarHBondContact CA-O 3.19Å; I42-I91 HydrophobicContact CD1-CD1 4.43Å; I42-I91 HydrophobicContact CG1-CB 4.16Å; I42-I91 HydrophobicContact CG1-CD1 4.26Å; D43-I91 PolarHBondContact N-O 3.44Å; I91-I96 HydrophobicContact CG2-CD1 3.84Å; I91-I96 HydrophobicContact CG2-CG1 3.69Å; I91-W127 HydrophobicContact CD1-CB 4.29Å; I91-W127 HydrophobicContact CD1-CG 3.86Å; I91-W127 HydrophobicContact CG1-CG 4.22Å; I91-V128 HydrophobicContact CD1-CG2 3.96Å; I91-Y162 HydrophobicContact CG2-CE1 4.35Å
92T98.2Very high97.2Very high0 Ų038.3 Ų38.30%019%0.188CC..EExtended strand (participates in β ladder)trans-121.2158.3173.467.70000110.1D43 Y45 N47 I48 G94 K95 I96D43-T92 HydrophobicContact CB-CG2 4.33Å; D43-T92 WeakPolarHBondContact O-CA 3.37Å; Y45-T92 HydrophobicContact CD2-CG2 4.41Å; Y45-T92 HydrophobicContact CE2-CG2 3.56Å; N47-T92 WeakPolarHBondContact O-CB 3.41Å; N47-T92 PolarHBondContact O-OG1 3.37Å; I48-T92 WeakPolarHBondContact O-CG2 3.21Å; I48-T92 PolarHBondContact O-OG1 2.99Å; T92-G94 PolarHBondContact O-N 3.19Å; T92-K95 PolarHBondContact O-N 2.75Å; T92-K95 WeakPolarHBondContact OG1-CB 3.47Å; T92-K95 WeakPolarHBondContact OG1-CG 3.38Å; T92-K95 PolarHBondContact OG1-N 3.11Å; T92-K95 VanDerWaalsContact OG1-N 3.08Å; T92-I96 PolarHBondContact O-N 3.38Å; T92-I96 VanDerWaalsContact O-N 3.11Å
93T98.1Very high97.4Very high6 Ų637 Ų374%0.03718%0.179CC..Hα-helixtrans-63.4-35.6175.8-54.70000110.8D43 P44 Y45 L46 I96 Y97 Y162D43-T93 PolarHBondContact O-N 3.02Å; P44-T93 VanDerWaalsContact C-OG1 3.31Å; P44-T93 WeakPolarHBondContact O-CB 3.18Å; P44-T93 PolarHBondContact O-OG1 3.11Å; Y45-T93 WeakPolarHBondContact O-CB 3.5Å; Y45-T93 PolarHBondContact O-N 3.04Å; L46-T93 HydrophobicContact CD2-CG2 3.7Å; T93-I96 PolarHBondContact O-N 2.8Å; T93-Y97 HydrophobicContact CG2-CD1 4.15Å; T93-Y97 HydrophobicContact CG2-CD2 3.97Å; T93-Y97 HydrophobicContact CG2-CE1 3.77Å; T93-Y97 HydrophobicContact CG2-CE2 3.59Å; T93-Y97 HydrophobicContact CG2-CG 4.25Å; T93-Y97 VanDerWaalsContact CG2-CZ 3.47Å; T93-Y97 WeakPolarHBondContact O-CB 3.38Å; T93-Y97 PolarHBondContact O-N 2.93Å; T93-Y162 WeakPolarHBondContact CA-OH 3.46Å; T93-Y162 WeakPolarHBondContact CB-OH 3.34Å; T93-Y162 PolarHBondContact N-OH 2.85Å; T93-Y162 WeakPolarHBondContact OG1-CE2 3.49Å; T93-Y162 PolarHBondContact OG1-OH 2.82Å
94G97.6Very high97.5Very high10 Ų1041 Ų4110%0.10320%0.198CC..Hα-helixtrans-56.3-49.6172.300000113L46 T92 I96 Y97 Q98L46-G94 WeakPolarHBondContact O-CA 3.44Å; L46-G94 PolarHBondContact O-N 3.45Å; T92-G94 PolarHBondContact O-N 3.19Å; G94-I96 PolarHBondContact O-N 2.76Å; G94-Y97 PolarHBondContact O-N 3.32Å; G94-Q98 VanDerWaalsContact O-CB 3.31Å; G94-Q98 WeakPolarHBondContact O-CB 3.19Å; G94-Q98 PolarHBondContact O-N 3.01Å
95K97.8Very high97.6Very high32 Ų3247.4 Ų47.414%0.13922%0.215CC..Hα-helixtrans-60.3-44.5177.3-77.9175177.9173.40112.2I48 K87 N90 T92 K99I48-K95 HydrophobicContact CG2-CG 3.91Å; I48-K95 WeakPolarHBondContact O-CE 3.45Å; I48-K95 WeakPolarHBondContact O-CG 3.35Å; K87-K95 PolarHBondContact O-NZ 3.34Å; N90-K95 WeakPolarHBondContact O-CD 3.34Å; N90-K95 PolarHBondContact O-NZ 3.16Å; T92-K95 PolarHBondContact O-N 2.75Å; T92-K95 WeakPolarHBondContact OG1-CB 3.47Å; T92-K95 WeakPolarHBondContact OG1-CG 3.38Å; T92-K95 PolarHBondContact OG1-N 3.11Å; T92-K95 VanDerWaalsContact OG1-N 3.08Å; K95-K99 WeakPolarHBondContact O-CB 3.37Å; K95-K99 PolarHBondContact O-N 3.42Å
96I98.3Very high97.5Very high2 Ų254.3 Ų54.31%0.0124%0.241CC..Hα-helixtrans-64.9-47.3180-66.4-65.5000110.8I91 T92 T93 G94 K99 V100 I120 I124 W127I91-I96 HydrophobicContact CG2-CD1 3.84Å; I91-I96 HydrophobicContact CG2-CG1 3.69Å; T92-I96 PolarHBondContact O-N 3.38Å; T92-I96 VanDerWaalsContact O-N 3.11Å; T93-I96 PolarHBondContact O-N 2.8Å; G94-I96 PolarHBondContact O-N 2.76Å; I96-K99 PolarHBondContact O-N 3.21Å; I96-V100 WeakPolarHBondContact O-CG2 3.46Å; I96-V100 PolarHBondContact O-N 3.5Å; I96-I120 HydrophobicContact CG2-CG2 3.91Å; I96-I124 HydrophobicContact CD1-CG1 4.11Å; I96-I124 HydrophobicContact CG1-CG1 4.22Å; I96-I124 HydrophobicContact CG2-CG1 4.2Å; I96-W127 HydrophobicContact CD1-CD2 4.37Å; I96-W127 HydrophobicContact CD1-CE3 3.83Å; I96-W127 HydrophobicContact CD1-CZ3 4.48Å
97Y97.9Very high97.6Very high82 Ų8254.6 Ų54.632%0.32225%0.252SS..Hα-helixtrans-64.6-44.7179.7-72.90.4000111.6L46 T93 G94 K99 V100 I101 I120L46-Y97 HydrophobicContact CD2-CD2 4.44Å; L46-Y97 HydrophobicContact CD2-CE2 4.13Å; T93-Y97 HydrophobicContact CG2-CD1 4.15Å; T93-Y97 HydrophobicContact CG2-CD2 3.97Å; T93-Y97 HydrophobicContact CG2-CE1 3.77Å; T93-Y97 HydrophobicContact CG2-CE2 3.59Å; T93-Y97 HydrophobicContact CG2-CG 4.25Å; T93-Y97 VanDerWaalsContact CG2-CZ 3.47Å; T93-Y97 WeakPolarHBondContact O-CB 3.38Å; T93-Y97 PolarHBondContact O-N 2.93Å; G94-Y97 PolarHBondContact O-N 3.32Å; Y97-K99 PolarHBondContact O-N 2.87Å; Y97-V100 PolarHBondContact O-N 2.84Å; Y97-I101 WeakPolarHBondContact O-CB 3.36Å; Y97-I101 WeakPolarHBondContact O-CD1 3.48Å; Y97-I101 WeakPolarHBondContact O-CG1 3.35Å; Y97-I101 PolarHBondContact O-N 3.2Å; Y97-I120 HydrophobicContact CD1-CD1 4Å; Y97-I120 HydrophobicContact CE1-CD1 4.11Å; Y97-I120 HydrophobicContact CE1-CG1 4.47Å; Y97-I120 HydrophobicContact CE1-CG2 4.28Å
98Q97.4Very high97.7Very high85 Ų8553 Ų5340%0.39725%0.248SC..Hα-helixtrans-55.8-51.2174.9-178.9178.214.700111.3G94 V100 I101 E102G94-Q98 VanDerWaalsContact O-CB 3.31Å; G94-Q98 WeakPolarHBondContact O-CB 3.19Å; G94-Q98 PolarHBondContact O-N 3.01Å; Q98-V100 VanDerWaalsContact C-N 3.32Å; Q98-V100 PolarHBondContact O-N 2.66Å; Q98-I101 PolarHBondContact O-N 3.21Å; Q98-E102 HydrophobicContact CG-CG 4.43Å; Q98-E102 VanDerWaalsContact CG-OE1 3.25Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.41Å; Q98-E102 PolarHBondContact NE2-OE1 3.45Å; Q98-E102 WeakPolarHBondContact O-CB 3.28Å; Q98-E102 VanDerWaalsContact O-CG 3.32Å; Q98-E102 WeakPolarHBondContact O-CG 3.41Å; Q98-E102 PolarHBondContact O-N 2.99Å
99K97.2Very high97.7Very high58 Ų5852.2 Ų52.225%0.25224%0.242SC..Hα-helixtrans-58.5-43.1179.5-179.6171.7177.6-179.80112.1K95 I96 Y97 K103 W127K95-K99 WeakPolarHBondContact O-CB 3.37Å; K95-K99 PolarHBondContact O-N 3.42Å; I96-K99 PolarHBondContact O-N 3.21Å; Y97-K99 PolarHBondContact O-N 2.87Å; K99-K103 HydrophobicContact CG-CD 4.5Å; K99-K103 WeakPolarHBondContact O-CB 3.49Å; K99-K103 VanDerWaalsContact O-CG 3.29Å; K99-K103 WeakPolarHBondContact O-CG 3.37Å; K99-K103 PolarHBondContact O-N 3.28Å; K99-W127 HydrophobicContact CD-CE3 3.76Å; K99-W127 HydrophobicContact CD-CZ3 3.49Å; K99-W127 VanDerWaalsContact CD-CZ3 3.49Å
100V98.1Very high97.6Very high6 Ų659.4 Ų59.44%0.03628%0.279CS..Hα-helixtrans-71.2-40.8-179170.60000111.6I96 Y97 Q98 K103 E104 Y109 V114 I120 A123I96-V100 WeakPolarHBondContact O-CG2 3.46Å; I96-V100 PolarHBondContact O-N 3.5Å; Y97-V100 PolarHBondContact O-N 2.84Å; Q98-V100 VanDerWaalsContact C-N 3.32Å; Q98-V100 PolarHBondContact O-N 2.66Å; V100-K103 PolarHBondContact O-N 3.03Å; V100-E104 PolarHBondContact O-N 3.4Å; V100-Y109 HydrophobicContact CG1-CE2 4.21Å; V100-V114 HydrophobicContact CG1-CG1 3.6Å; V100-I120 HydrophobicContact CB-CD1 3.98Å; V100-I120 HydrophobicContact CG1-CD1 3.79Å; V100-I120 HydrophobicContact CG2-CD1 3.88Å; V100-A123 HydrophobicContact CG2-CB 3.67Å
101I97.9Very high97.4Very high103 Ų10363.3 Ų63.353%0.52832%0.319SS..Hα-helixtrans-63-43.6175.5-69.3165000110.4Y97 Q98 K103 E104 R105Y97-I101 WeakPolarHBondContact O-CB 3.36Å; Y97-I101 WeakPolarHBondContact O-CD1 3.48Å; Y97-I101 WeakPolarHBondContact O-CG1 3.35Å; Y97-I101 PolarHBondContact O-N 3.2Å; Q98-I101 PolarHBondContact O-N 3.21Å; I101-K103 PolarHBondContact O-N 3.1Å; I101-E104 WeakPolarHBondContact O-CB 3.5Å; I101-E104 PolarHBondContact O-N 3.07Å; I101-R105 WeakPolarHBondContact O-CG 3.25Å; I101-R105 PolarHBondContact O-N 3.3Å
102E97.4Very high97.3Very high84 Ų8470.5 Ų70.539%0.39335%0.351SS..Hα-helixtrans-64-40.4176.2-72.2172.9-172.800112.4Q98 E104 R105 R106Q98-E102 HydrophobicContact CG-CG 4.43Å; Q98-E102 VanDerWaalsContact CG-OE1 3.25Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.41Å; Q98-E102 PolarHBondContact NE2-OE1 3.45Å; Q98-E102 WeakPolarHBondContact O-CB 3.28Å; Q98-E102 VanDerWaalsContact O-CG 3.32Å; Q98-E102 WeakPolarHBondContact O-CG 3.41Å; Q98-E102 PolarHBondContact O-N 2.99Å; E102-E104 VanDerWaalsContact C-N 3.32Å; E102-E104 PolarHBondContact O-N 3.38Å; E102-R105 PolarHBondContact O-N 2.95Å; E102-R106 WeakPolarHBondContact O-CG 3.23Å; E102-R106 PolarHBondContact O-N 3.2Å; E102-R106 VanDerWaalsContact O-N 3.08Å
103K97.6Very high97.3Very high44 Ų4475.6 Ų75.619%0.19138%0.382CS..Hα-helixtrans-60.7-40.9172.7-76.6-176.479.7166.40111.8K99 V100 I101 R106 G107 D108 Y109 E126K99-K103 HydrophobicContact CG-CD 4.5Å; K99-K103 WeakPolarHBondContact O-CB 3.49Å; K99-K103 VanDerWaalsContact O-CG 3.29Å; K99-K103 WeakPolarHBondContact O-CG 3.37Å; K99-K103 PolarHBondContact O-N 3.28Å; V100-K103 PolarHBondContact O-N 3.03Å; I101-K103 PolarHBondContact O-N 3.1Å; K103-R106 PolarHBondContact O-N 3.48Å; K103-G107 PolarHBondContact O-N 3.44Å; K103-D108 HydrophobicContact CB-CB 4.08Å; K103-D108 WeakPolarHBondContact CG-OD2 3.4Å; K103-D108 WeakPolarHBondContact O-CB 3.45Å; K103-D108 PolarHBondContact O-N 3.24Å; K103-Y109 HydrophobicContact CB-CD2 4.37Å; K103-Y109 HydrophobicContact CB-CE2 3.52Å; K103-E126 IonicContact NZ-OE2 3.33Å
104E97.8Very high97.2Very high89 Ų8977.2 Ų77.242%0.41639%0.392SS..Hα-helixtrans-60.8-49.1175-178.4-79.8149.600111.5V100 I101 E102 R106 G107 Y109 V114V100-E104 PolarHBondContact O-N 3.4Å; I101-E104 WeakPolarHBondContact O-CB 3.5Å; I101-E104 PolarHBondContact O-N 3.07Å; E102-E104 VanDerWaalsContact C-N 3.32Å; E102-E104 PolarHBondContact O-N 3.38Å; E104-R106 VanDerWaalsContact C-N 3.28Å; E104-R106 PolarHBondContact O-N 3.38Å; E104-G107 PolarHBondContact O-N 3.23Å; E104-Y109 HydrophobicContact CB-CD2 4.03Å; E104-Y109 HydrophobicContact CB-CE2 4.26Å; E104-V114 HydrophobicContact CB-CG2 4.31Å; E104-V114 HydrophobicContact CG-CG2 4.17Å
105R97.1Very high97.2Very high195 Ų19582.3 Ų82.374%0.73641%0.413SS*.Hα-helixtrans-62.7-31.2179-68.6-57.8-58.4175.7-1.5114I101 E102 G107I101-R105 WeakPolarHBondContact O-CG 3.25Å; I101-R105 PolarHBondContact O-N 3.3Å; E102-R105 PolarHBondContact O-N 2.95Å; R105-G107 VanDerWaalsContact C-N 3.26Å
106R96.7Very high97.2Very high149 Ų14984.1 Ų84.156%0.56243%0.426SS*.Hα-helixtrans-74.5-15.2173.5-71.4-168.6-57-100.10.3113.6E102 K103 E104 D108E102-R106 WeakPolarHBondContact O-CG 3.23Å; E102-R106 PolarHBondContact O-N 3.2Å; E102-R106 VanDerWaalsContact O-N 3.08Å; K103-R106 PolarHBondContact O-N 3.48Å; E104-R106 VanDerWaalsContact C-N 3.28Å; E104-R106 PolarHBondContact O-N 3.38Å; R106-D108 IonicContact CZ-OD2 3.95Å; R106-D108 IonicContact NE-OD1 2.73Å; R106-D108 IonicContact NE-OD2 3.63Å; R106-D108 PolarHBondContact NE-OD2 3Å; R106-D108 IonicContact NH2-OD2 3.98Å; R106-D108 PolarHBondContact NH2-OD2 2.73Å
107G96.7Very high97.2Very high39 Ų3987.3 Ų87.340%0.40245%0.446SS..THydrogen-bonded Turntrans87.715.4-176.700000114.3K103 E104 R105 Y109 L110K103-G107 PolarHBondContact O-N 3.44Å; E104-G107 PolarHBondContact O-N 3.23Å; R105-G107 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 3.1Å; G107-Y109 VanDerWaalsContact O-N 3.11Å; G107-L110 PolarHBondContact O-N 3.06Å
108D97.3Very high97.1Very high76 Ų7686 Ų8641%0.40645%0.448SS..THydrogen-bonded Turntrans-63.6-20.7-175.2-62.7-10000112.4K103 R106K103-D108 HydrophobicContact CB-CB 4.08Å; K103-D108 WeakPolarHBondContact CG-OD2 3.4Å; K103-D108 WeakPolarHBondContact O-CB 3.45Å; K103-D108 PolarHBondContact O-N 3.24Å; R106-D108 IonicContact CZ-OD2 3.95Å; R106-D108 IonicContact NE-OD1 2.73Å; R106-D108 IonicContact NE-OD2 3.63Å; R106-D108 PolarHBondContact NE-OD2 3Å; R106-D108 IonicContact NH2-OD2 3.98Å; R106-D108 PolarHBondContact NH2-OD2 2.73Å
109Y97.1Very high97.2Very high36 Ų3683.6 Ų83.614%0.14144%0.436CS..THydrogen-bonded Turntrans-94.715.8176.5-57.8-71.3000113.8V100 K103 E104 G107 G111 K112 V114 H119V100-Y109 HydrophobicContact CG1-CE2 4.21Å; K103-Y109 HydrophobicContact CB-CD2 4.37Å; K103-Y109 HydrophobicContact CB-CE2 3.52Å; E104-Y109 HydrophobicContact CB-CD2 4.03Å; E104-Y109 HydrophobicContact CB-CE2 4.26Å; G107-Y109 PolarHBondContact O-N 3.1Å; G107-Y109 VanDerWaalsContact O-N 3.11Å; Y109-G111 PolarHBondContact O-N 2.97Å; Y109-K112 WeakPolarHBondContact O-CB 2.94Å; Y109-K112 PolarHBondContact O-N 2.89Å; Y109-V114 HydrophobicContact CD1-CG2 4.35Å; Y109-V114 HydrophobicContact CD2-CG2 3.38Å; Y109-V114 HydrophobicContact CE2-CG1 4.46Å; Y109-V114 HydrophobicContact CE2-CG2 3.87Å; Y109-V114 HydrophobicContact CG-CG2 3.67Å; Y109-H119 AromaticContact CD1-CD2 3.67Å; Y109-H119 HydrophobicContact CE1-CB 4.34Å; Y109-H119 AromaticContact CE1-CD2 3.85Å
110L96.5Very high97.2Very high151 Ų15181.5 Ų81.579%0.79143%0.428SS*.THydrogen-bonded Turntrans56.534.4174.9-51.4177.8000113.6G107 K112G107-L110 PolarHBondContact O-N 3.06Å; L110-K112 PolarHBondContact O-N 3.22Å
111G94.1Very high97.3Very high82 Ų8281.2 Ų81.285%0.84543%0.426SS*.THydrogen-bonded Turntrans69.48.4-178.500000115.2Y109Y109-G111 PolarHBondContact O-N 2.97Å
112K96.5Very high97.3Very high151 Ų15178.9 Ų78.966%0.65742%0.415SS*.PPolyproline II helixtrans-78.9154.5174.7-64.1-178.4179.6177.60111.1Y109 L110 V114Y109-K112 WeakPolarHBondContact O-CB 2.94Å; Y109-K112 PolarHBondContact O-N 2.89Å; L110-K112 PolarHBondContact O-N 3.22Å; K112-V114 PolarHBondContact O-N 2.8Å
113T97Very high97.3Very high108 Ų10875.1 Ų75.166%0.66340%0.398SS*.PPolyproline II helixtrans-64.4131.2173.2-1700000110.8Q115 H119T113-Q115 HydrophobicContact CG2-CG 4.48Å; T113-H119 PolarHBondContact O-CE1 3.06Å; T113-H119 VanDerWaalsContact O-CE1 3.26Å
114V97.2Very high97.4Very high39 Ų3973 Ų7324%0.23639%0.389CS..PPolyproline II helixtrans-88.7143174.5-1750000108.7V100 E104 Y109 K112 H119V100-V114 HydrophobicContact CG1-CG1 3.6Å; E104-V114 HydrophobicContact CB-CG2 4.31Å; E104-V114 HydrophobicContact CG-CG2 4.17Å; Y109-V114 HydrophobicContact CD1-CG2 4.35Å; Y109-V114 HydrophobicContact CD2-CG2 3.38Å; Y109-V114 HydrophobicContact CE2-CG1 4.46Å; Y109-V114 HydrophobicContact CE2-CG2 3.87Å; Y109-V114 HydrophobicContact CG-CG2 3.67Å; K112-V114 PolarHBondContact O-N 2.8Å; V114-H119 HydrophobicContact CG1-CB 3.5Å; V114-H119 VanDerWaalsContact CG1-CB 3.5Å
115Q97.9Very high97.4Very high117 Ų11769.3 Ų69.355%0.54737%0.371SS..  trans-143.2163.7-175.5-64-175.4-75.900109.9T113 V117 H119 I120T113-Q115 HydrophobicContact CG2-CG 4.48Å; Q115-V117 VanDerWaalsContact C-N 3.34Å; Q115-V117 WeakPolarHBondContact CB-O 3.23Å; Q115-V117 PolarHBondContact O-N 3.2Å; Q115-H119 PolarHBondContact N-ND1 3.21Å; Q115-H119 WeakPolarHBondContact O-CB 3.22Å; Q115-H119 PolarHBondContact O-N 3.44Å; Q115-H119 PolarHBondContact O-ND1 2.78Å; Q115-I120 PolarHBondContact O-N 3.04Å
116V97.6Very high97.4Very high70 Ų7063.9 Ų63.942%0.42435%0.354SS..Iπ-helixtrans-55.7-50.3176.2179.40000111I120 T121 P161V116-I120 HydrophobicContact CG1-CB 4.39Å; V116-I120 WeakPolarHBondContact O-CB 3.44Å; V116-I120 PolarHBondContact O-N 2.93Å; V116-T121 PolarHBondContact O-N 3.49Å; V116-T121 VanDerWaalsContact O-N 3.11Å; V116-P161 HydrophobicContact CG1-CB 4.14Å; V116-P161 HydrophobicContact CG1-CG 4.42Å
117V97.6Very high97.5Very high70 Ų7058.1 Ų58.142%0.42433%0.333SS..Iπ-helixtrans-108128.1171.2-177.60000108.5Q115 T121 E164Q115-V117 VanDerWaalsContact C-N 3.34Å; Q115-V117 WeakPolarHBondContact CB-O 3.23Å; Q115-V117 PolarHBondContact O-N 3.2Å; V117-T121 HydrophobicContact CG2-CG2 4.1Å; V117-E164 HydrophobicContact CG2-CG 3.82Å
118P97.2Very high97.6Very high55 Ų5556.3 Ų56.336%0.35731%0.314SS..Iπ-helixcis-90.9-12.3-036.5-37000114.1I120 T121 D122P118-I120 PolarHBondContact O-N 3.4Å; P118-T121 VanDerWaalsContact C-OG1 3.31Å; P118-T121 WeakPolarHBondContact CA-OG1 3.39Å; P118-T121 PolarHBondContact O-N 3.48Å; P118-T121 PolarHBondContact O-OG1 3.01Å; P118-D122 VanDerWaalsContact O-CB 3.25Å; P118-D122 WeakPolarHBondContact O-CB 3.44Å; P118-D122 PolarHBondContact O-N 2.77Å
119H98.2Very high97.6Very high34 Ų3454.1 Ų54.116%0.15730%0.303CS..Iπ-helixtrans-68.4-42.5-160.4-47.185000115Y109 T113 V114 Q115 A123Y109-H119 AromaticContact CD1-CD2 3.67Å; Y109-H119 HydrophobicContact CE1-CB 4.34Å; Y109-H119 AromaticContact CE1-CD2 3.85Å; T113-H119 PolarHBondContact O-CE1 3.06Å; T113-H119 VanDerWaalsContact O-CE1 3.26Å; V114-H119 HydrophobicContact CG1-CB 3.5Å; V114-H119 VanDerWaalsContact CG1-CB 3.5Å; Q115-H119 PolarHBondContact N-ND1 3.21Å; Q115-H119 WeakPolarHBondContact O-CB 3.22Å; Q115-H119 PolarHBondContact O-N 3.44Å; Q115-H119 PolarHBondContact O-ND1 2.78Å; H119-A123 WeakPolarHBondContact O-CB 3.23Å; H119-A123 PolarHBondContact O-N 3.34Å; H119-A123 VanDerWaalsContact O-N 3.1Å
120I98.3Very high97.6Very high13 Ų1356.3 Ų56.37%0.06732%0.317CS..Iπ-helixtrans-70.2-44.3175.2-59.2-62.1000109.6I96 Y97 V100 Q115 V116 P118 D122 A123 I124 P161I96-I120 HydrophobicContact CG2-CG2 3.91Å; Y97-I120 HydrophobicContact CD1-CD1 4Å; Y97-I120 HydrophobicContact CE1-CD1 4.11Å; Y97-I120 HydrophobicContact CE1-CG1 4.47Å; Y97-I120 HydrophobicContact CE1-CG2 4.28Å; V100-I120 HydrophobicContact CB-CD1 3.98Å; V100-I120 HydrophobicContact CG1-CD1 3.79Å; V100-I120 HydrophobicContact CG2-CD1 3.88Å; Q115-I120 PolarHBondContact O-N 3.04Å; V116-I120 HydrophobicContact CG1-CB 4.39Å; V116-I120 WeakPolarHBondContact O-CB 3.44Å; V116-I120 PolarHBondContact O-N 2.93Å; P118-I120 PolarHBondContact O-N 3.4Å; I120-D122 VanDerWaalsContact C-N 3.31Å; I120-D122 PolarHBondContact O-N 2.9Å; I120-A123 PolarHBondContact O-N 3.25Å; I120-I124 HydrophobicContact CG2-CD1 3.92Å; I120-I124 WeakPolarHBondContact O-CG1 3.46Å; I120-I124 PolarHBondContact O-N 2.81Å; I120-P161 HydrophobicContact CG2-CB 4.44Å
121T98.5Very high97.6Very high0 Ų049.3 Ų49.30%028%0.281CS..Hα-helixtrans-61.9-38.9178.850.90000112.3V116 V117 P118 I124 I125 E164 A165 Q168V116-T121 PolarHBondContact O-N 3.49Å; V116-T121 VanDerWaalsContact O-N 3.11Å; V117-T121 HydrophobicContact CG2-CG2 4.1Å; P118-T121 VanDerWaalsContact C-OG1 3.31Å; P118-T121 WeakPolarHBondContact CA-OG1 3.39Å; P118-T121 PolarHBondContact O-N 3.48Å; P118-T121 PolarHBondContact O-OG1 3.01Å; T121-I124 PolarHBondContact O-N 2.86Å; T121-I125 WeakPolarHBondContact O-CD1 3.18Å; T121-I125 WeakPolarHBondContact O-CG1 3.09Å; T121-I125 PolarHBondContact O-N 2.82Å; T121-E164 HydrophobicContact CG2-CB 4.34Å; T121-E164 HydrophobicContact CG2-CG 3.92Å; T121-A165 HydrophobicContact CG2-CB 4.03Å; T121-Q168 PolarHBondContact OG1-NE2 2.71Å
122D98.2Very high97.7Very high55 Ų5545.4 Ų45.429%0.29424%0.241SC..Hα-helixtrans-65.3-43.1174.4-78.2-26.1000111.5P118 I120 I124 I125 E126 R172P118-D122 VanDerWaalsContact O-CB 3.25Å; P118-D122 WeakPolarHBondContact O-CB 3.44Å; P118-D122 PolarHBondContact O-N 2.77Å; I120-D122 VanDerWaalsContact C-N 3.31Å; I120-D122 PolarHBondContact O-N 2.9Å; D122-I124 VanDerWaalsContact C-N 3.3Å; D122-I124 PolarHBondContact O-N 2.81Å; D122-I125 PolarHBondContact O-N 3.33Å; D122-E126 VanDerWaalsContact O-CB 3.24Å; D122-E126 WeakPolarHBondContact O-CB 3.42Å; D122-E126 PolarHBondContact O-N 2.85Å; D122-R172 IonicContact OD1-CZ 3.02Å; D122-R172 IonicContact OD1-NH1 3.85Å; D122-R172 PolarHBondContact OD1-NH1 3.4Å; D122-R172 IonicContact OD1-NH2 3.19Å; D122-R172 PolarHBondContact OD1-NH2 3.26Å
123A98.3Very high97.7Very high4 Ų444.6 Ų44.63%0.03323%0.233CC..Hα-helixtrans-61.7-38.7177.200000112.1V100 H119 I120 W127V100-A123 HydrophobicContact CG2-CB 3.67Å; H119-A123 WeakPolarHBondContact O-CB 3.23Å; H119-A123 PolarHBondContact O-N 3.34Å; H119-A123 VanDerWaalsContact O-N 3.1Å; I120-A123 PolarHBondContact O-N 3.25Å; A123-W127 WeakPolarHBondContact O-CB 3.21Å; A123-W127 PolarHBondContact O-N 2.81Å
124I98.5Very high97.6Very high1 Ų142 Ų421%0.00522%0.215CC..Hα-helixtrans-64.8-50.6174.8-67.2162.5000110.4I96 I120 T121 D122 E126 W127 V128 P161 Y162 A165I96-I124 HydrophobicContact CD1-CG1 4.11Å; I96-I124 HydrophobicContact CG1-CG1 4.22Å; I96-I124 HydrophobicContact CG2-CG1 4.2Å; I120-I124 HydrophobicContact CG2-CD1 3.92Å; I120-I124 WeakPolarHBondContact O-CG1 3.46Å; I120-I124 PolarHBondContact O-N 2.81Å; T121-I124 PolarHBondContact O-N 2.86Å; D122-I124 VanDerWaalsContact C-N 3.3Å; D122-I124 PolarHBondContact O-N 2.81Å; I124-E126 VanDerWaalsContact C-N 3.35Å; I124-E126 PolarHBondContact O-N 2.76Å; I124-W127 WeakPolarHBondContact O-CB 3.48Å; I124-W127 PolarHBondContact O-N 3.21Å; I124-V128 WeakPolarHBondContact O-CG2 3.3Å; I124-V128 PolarHBondContact O-N 3.05Å; I124-P161 HydrophobicContact CD1-CB 4.48Å; I124-Y162 HydrophobicContact CD1-CD1 3.58Å; I124-Y162 HydrophobicContact CD1-CE1 3.76Å; I124-Y162 HydrophobicContact CD1-CG 4.27Å; I124-Y162 HydrophobicContact CG1-CD1 4.06Å; I124-Y162 HydrophobicContact CG1-CE1 3.98Å; I124-Y162 HydrophobicContact CG2-CD1 3.99Å; I124-Y162 HydrophobicContact CG2-CE1 4.49Å; I124-A165 HydrophobicContact CB-CB 3.94Å; I124-A165 HydrophobicContact CD1-CB 4.08Å; I124-A165 HydrophobicContact CG2-CB 3.77Å
125I98.2Very high97.6Very high10 Ų1042.8 Ų42.85%0.05122%0.221CC..Hα-helixtrans-61.9-43.3-179-65.6165.3000111T121 D122 V128 T129 A165 Q168 M169T121-I125 WeakPolarHBondContact O-CD1 3.18Å; T121-I125 WeakPolarHBondContact O-CG1 3.09Å; T121-I125 PolarHBondContact O-N 2.82Å; D122-I125 PolarHBondContact O-N 3.33Å; I125-V128 PolarHBondContact O-N 2.74Å; I125-T129 WeakPolarHBondContact O-CB 3.41Å; I125-T129 PolarHBondContact O-N 2.79Å; I125-T129 PolarHBondContact O-OG1 2.83Å; I125-A165 WeakPolarHBondContact CD1-O 3.35Å; I125-A165 HydrophobicContact CG1-CB 4.29Å; I125-Q168 HydrophobicContact CD1-CB 3.98Å; I125-M169 HydrophobicContact CD1-CB 4.4Å; I125-M169 HydrophobicContact CG1-CB 4.15Å; I125-M169 HydrophobicContact CG2-CG 4.36Å
126E97.8Very high97.5Very high81 Ų8137.6 Ų37.638%0.37920%0.197SC..Hα-helixtrans-60.2-45.9176.4-172.5-169.5162.500110.6K103 D122 I124 T129 N130K103-E126 IonicContact NZ-OE2 3.33Å; D122-E126 VanDerWaalsContact O-CB 3.24Å; D122-E126 WeakPolarHBondContact O-CB 3.42Å; D122-E126 PolarHBondContact O-N 2.85Å; I124-E126 VanDerWaalsContact C-N 3.35Å; I124-E126 PolarHBondContact O-N 2.76Å; E126-T129 PolarHBondContact O-N 2.76Å; E126-N130 WeakPolarHBondContact O-CB 3.26Å; E126-N130 PolarHBondContact O-N 3.38Å; E126-N130 PolarHBondContact O-ND2 2.86Å
127W98.4Very high97.1Very high29 Ų2935.8 Ų35.811%0.1119%0.185CC..Hα-helixtrans-59.4-53177.8-163.4-60.1000111.5D88 I91 I96 K99 A123 I124 T129 N130 V131D88-W127 HydrophobicContact CB-CZ2 4.22Å; D88-W127 PolarHBondContact O-NE1 3.3Å; I91-W127 HydrophobicContact CD1-CB 4.29Å; I91-W127 HydrophobicContact CD1-CG 3.86Å; I91-W127 HydrophobicContact CG1-CG 4.22Å; I96-W127 HydrophobicContact CD1-CD2 4.37Å; I96-W127 HydrophobicContact CD1-CE3 3.83Å; I96-W127 HydrophobicContact CD1-CZ3 4.48Å; K99-W127 HydrophobicContact CD-CE3 3.76Å; K99-W127 HydrophobicContact CD-CZ3 3.49Å; K99-W127 VanDerWaalsContact CD-CZ3 3.49Å; A123-W127 WeakPolarHBondContact O-CB 3.21Å; A123-W127 PolarHBondContact O-N 2.81Å; I124-W127 WeakPolarHBondContact O-CB 3.48Å; I124-W127 PolarHBondContact O-N 3.21Å; W127-T129 VanDerWaalsContact C-N 3.31Å; W127-T129 PolarHBondContact O-N 2.79Å; W127-N130 PolarHBondContact O-N 2.86Å; W127-V131 VanDerWaalsContact CD1-CG2 3.47Å; W127-V131 WeakPolarHBondContact O-CG2 3.18Å; W127-V131 PolarHBondContact O-N 3.03Å
128V98.3Very high96.6Very high0 Ų040.8 Ų40.80%020%0.204CC..Hα-helixtrans-58.3-44.21801690000111.1Y6 I40 I91 I124 I125 N130 S132 I148 F166 M169Y6-V128 HydrophobicContact CD1-CG1 4.25Å; Y6-V128 HydrophobicContact CE1-CG1 4.01Å; I40-V128 HydrophobicContact CD1-CB 4.47Å; I40-V128 HydrophobicContact CD1-CG1 4.24Å; I40-V128 HydrophobicContact CD1-CG2 4.5Å; I91-V128 HydrophobicContact CD1-CG2 3.96Å; I124-V128 WeakPolarHBondContact O-CG2 3.3Å; I124-V128 PolarHBondContact O-N 3.05Å; I125-V128 PolarHBondContact O-N 2.74Å; V128-N130 VanDerWaalsContact C-N 3.32Å; V128-N130 PolarHBondContact O-N 2.87Å; V128-S132 WeakPolarHBondContact O-CB 3.35Å; V128-S132 PolarHBondContact O-N 3.3Å; V128-S132 PolarHBondContact O-OG 2.81Å; V128-I148 HydrophobicContact CG1-CD1 3.46Å; V128-I148 VanDerWaalsContact CG1-CD1 3.46Å; V128-I148 HydrophobicContact CG1-CG1 4.27Å; V128-F166 HydrophobicContact CG2-CE1 4.31Å; V128-F166 HydrophobicContact CG2-CZ 4.37Å; V128-M169 HydrophobicContact CG1-CE 3.78Å; V128-M169 HydrophobicContact CG1-SD 4.11Å
129T97.2Very high96.1Very high30 Ų3041.4 Ų41.418%0.18421%0.21CC..Hα-helixtrans-67-32.9-178.3-560000112.7I125 E126 W127 S132 R133I125-T129 WeakPolarHBondContact O-CB 3.41Å; I125-T129 PolarHBondContact O-N 2.79Å; I125-T129 PolarHBondContact O-OG1 2.83Å; E126-T129 PolarHBondContact O-N 2.76Å; W127-T129 VanDerWaalsContact C-N 3.31Å; W127-T129 PolarHBondContact O-N 2.79Å; T129-S132 PolarHBondContact O-OG 2.93Å; T129-S132 VanDerWaalsContact O-OG 3.12Å; T129-R133 PolarHBondContact O-NE 2.61Å
130N97.1Very high95.8Very high82 Ų8242.2 Ų42.244%0.43923%0.227SC..Hα-helixtrans-76.5-47.2178.3-69.3-17.8000111.1E126 W127 V128 S132 R133E126-N130 WeakPolarHBondContact O-CB 3.26Å; E126-N130 PolarHBondContact O-N 3.38Å; E126-N130 PolarHBondContact O-ND2 2.86Å; W127-N130 PolarHBondContact O-N 2.86Å; V128-N130 VanDerWaalsContact C-N 3.32Å; V128-N130 PolarHBondContact O-N 2.87Å; N130-S132 VanDerWaalsContact C-N 3.35Å; N130-S132 PolarHBondContact O-N 2.9Å; N130-R133 PolarHBondContact O-N 2.81Å
131V97.2Very high95.4Very high5 Ų544.1 Ų44.13%0.0324%0.241CC..Hα-helixtrans-69.2-33.7-177.2175.90000112.1I40 D88 W127 R133 I134I40-V131 HydrophobicContact CD1-CB 3.88Å; I40-V131 HydrophobicContact CD1-CG1 3.79Å; I40-V131 HydrophobicContact CG1-CG1 3.89Å; D88-V131 HydrophobicContact CB-CG2 3.6Å; W127-V131 VanDerWaalsContact CD1-CG2 3.47Å; W127-V131 WeakPolarHBondContact O-CG2 3.18Å; W127-V131 PolarHBondContact O-N 3.03Å; V131-R133 PolarHBondContact O-N 2.74Å; V131-I134 HydrophobicContact CB-CD1 4.49Å; V131-I134 HydrophobicContact CG2-CD1 4.38Å; V131-I134 PolarHBondContact O-N 3.29Å; V131-I134 VanDerWaalsContact O-N 3.08Å
132S97.2Very high95.2Very high0 Ų049 Ų490%027%0.267CS..THydrogen-bonded Turntrans-61.8-13.9179.4700000114.5Y6 V128 T129 N130Y6-S132 PolarHBondContact OH-OG 3.3Å; Y6-S132 VanDerWaalsContact OH-OG 3.06Å; V128-S132 WeakPolarHBondContact O-CB 3.35Å; V128-S132 PolarHBondContact O-N 3.3Å; V128-S132 PolarHBondContact O-OG 2.81Å; T129-S132 PolarHBondContact O-OG 2.93Å; T129-S132 VanDerWaalsContact O-OG 3.12Å; N130-S132 VanDerWaalsContact C-N 3.35Å; N130-S132 PolarHBondContact O-N 2.9Å
133R95.5Very high95.1Very high133 Ų13346.6 Ų46.650%0.50226%0.255SS..THydrogen-bonded Turntrans-101.9-7.7-179.5-61174-176.4176.10.9113.4V4 T129 N130 V131 P135 N142V4-R133 HydrophobicContact CG2-CG 4.18Å; T129-R133 PolarHBondContact O-NE 2.61Å; N130-R133 PolarHBondContact O-N 2.81Å; V131-R133 PolarHBondContact O-N 2.74Å; R133-P135 WeakPolarHBondContact O-CD 3.44Å; R133-N142 PolarHBondContact O-OD1 3.42Å
134I96Very high94.9Very high54 Ų5448.2 Ų48.228%0.27726%0.262SS..SBendtrans-74.6125.7-178.8-58.8175.4000108.6V131 V136 P143V131-I134 HydrophobicContact CB-CD1 4.49Å; V131-I134 HydrophobicContact CG2-CD1 4.38Å; V131-I134 PolarHBondContact O-N 3.29Å; V131-I134 VanDerWaalsContact O-N 3.08Å; I134-V136 PolarHBondContact O-N 3.46Å; I134-P143 WeakPolarHBondContact O-CD 3.44Å; I134-P143 VanDerWaalsContact O-CG 3.25Å; I134-P143 WeakPolarHBondContact O-CG 3.44Å
135P96.4Very high94.9Very high56 Ų5648.2 Ų48.236%0.36426%0.262SS..  trans-58.9133.1172.4-24.635.1000111.6R133 G140 S141R133-P135 WeakPolarHBondContact O-CD 3.44Å; P135-G140 WeakPolarHBondContact CG-O 3.25Å; P135-S141 WeakPolarHBondContact CB-O 3.35Å
136V95.6Very high94.9Very high7 Ų747.8 Ų47.84%0.04226%0.259CS..  trans-123.82.5-178.2-65.80000113.1T38 I83 T84 L85 I134 P143T38-V136 WeakPolarHBondContact OG1-CG1 3.24Å; I83-V136 CarbonylContact C-O 3.55Å; I83-V136 WeakPolarHBondContact CA-O 3.34Å; I83-V136 HydrophobicContact CB-CB 4.28Å; I83-V136 HydrophobicContact CB-CG2 4.1Å; I83-V136 WeakPolarHBondContact CB-O 3.47Å; I83-V136 HydrophobicContact CD1-CG2 4.18Å; I83-V136 HydrophobicContact CG2-CG2 4.11Å; T84-V136 PolarHBondContact N-O 2.61Å; T84-V136 WeakPolarHBondContact O-CB 3.3Å; L85-V136 HydrophobicContact CD2-CB 4.44Å; L85-V136 HydrophobicContact CD2-CG1 4.08Å; I134-V136 PolarHBondContact O-N 3.46Å; V136-P143 HydrophobicContact CG2-CG 4.5Å
137D90.1Very high94.9Very high32 Ų3244 Ų4417%0.17124%0.242CC..SBendtrans-126.3169.817767.627.4000112I83 S139 G140I83-D137 HydrophobicContact CG2-CB 4.3Å; D137-S139 PolarHBondContact O-N 3.4Å; D137-S139 VanDerWaalsContact O-N 3.15Å; D137-S139 VanDerWaalsContact OD1-CB 3.23Å; D137-S139 WeakPolarHBondContact OD1-CB 3.48Å; D137-S139 PolarHBondContact OD1-N 3.48Å; D137-S139 PolarHBondContact OD1-OG 2.93Å; D137-G140 PolarHBondContact O-N 3.41Å
138E85.9Confident94.9Very high176 Ų17642.6 Ų42.682%0.82224%0.236SC*.THydrogen-bonded Turntrans-65.4-14.4-177.3-63.3177.7172.400113.2G140E138-G140 PolarHBondContact O-N 2.83Å
139S87.9Confident94.9Very high68 Ų6842.7 Ų42.748%0.47624%0.237SC..THydrogen-bonded Turntrans-70.3-17.7177.382.30000112.6D137 S141D137-S139 PolarHBondContact O-N 3.4Å; D137-S139 VanDerWaalsContact O-N 3.15Å; D137-S139 VanDerWaalsContact OD1-CB 3.23Å; D137-S139 WeakPolarHBondContact OD1-CB 3.48Å; D137-S139 PolarHBondContact OD1-N 3.48Å; D137-S139 PolarHBondContact OD1-OG 2.93Å; S139-S141 PolarHBondContact O-N 3.49Å; S139-S141 VanDerWaalsContact O-N 3.09Å; S139-S141 VanDerWaalsContact OG-CB 3.25Å; S139-S141 WeakPolarHBondContact OG-CB 3.14Å; S139-S141 PolarHBondContact OG-N 3.3Å; S139-S141 VanDerWaalsContact OG-N 3.13Å; S139-S141 PolarHBondContact OG-OG 3Å
140G90.3Very high95Very high50 Ų5041.4 Ų41.452%0.51523%0.229SC..  trans64.68-17400000113.9P135 D137 E138P135-G140 WeakPolarHBondContact CG-O 3.25Å; D137-G140 PolarHBondContact O-N 3.41Å; E138-G140 PolarHBondContact O-N 2.83Å
141S91.9Very high94.9Very high53 Ų5337.7 Ų37.737%0.37121%0.21SC..PPolyproline II helixtrans-82.2148.3-178.4-620000111.4N36 P135 S139N36-S141 VanDerWaalsContact ND2-CB 3.35Å; N36-S141 WeakPolarHBondContact ND2-CB 3.33Å; P135-S141 WeakPolarHBondContact CB-O 3.35Å; S139-S141 PolarHBondContact O-N 3.49Å; S139-S141 VanDerWaalsContact O-N 3.09Å; S139-S141 VanDerWaalsContact OG-CB 3.25Å; S139-S141 WeakPolarHBondContact OG-CB 3.14Å; S139-S141 PolarHBondContact OG-N 3.3Å; S139-S141 VanDerWaalsContact OG-N 3.13Å; S139-S141 PolarHBondContact OG-OG 3Å
142N93.7Very high94.8Very high102 Ų10238.8 Ų38.855%0.54522%0.223SC..PPolyproline II helixtrans-65.3139.6174.1-67.1-9.3000110.2R133R133-N142 PolarHBondContact O-OD1 3.42Å
143P95.6Very high94.7Very high6 Ų640 Ų404%0.03923%0.23CC..PPolyproline II helixtrans-61.5142.7172.3-21.132.7000111.8T38 I134 V136T38-P143 HydrophobicContact CG2-CB 3.55Å; T38-P143 HydrophobicContact CG2-CG 3.7Å; I134-P143 WeakPolarHBondContact O-CD 3.44Å; I134-P143 VanDerWaalsContact O-CG 3.25Å; I134-P143 WeakPolarHBondContact O-CG 3.44Å; V136-P143 HydrophobicContact CG2-CG 4.5Å
144E95.1Very high94.8Very high38 Ų3834.4 Ų34.418%0.17821%0.21CC..SBendtrans-99.5-29.4177.1-60.8-179.49900111.3K5 W35 N36 K278K5-E144 PolarHBondContact N-O 3.47Å; W35-E144 HydrophobicContact CE3-CB 3.99Å; W35-E144 HydrophobicContact CZ3-CB 4.44Å; N36-E144 HydrophobicContact CB-CG 4.36Å; N36-E144 PolarHBondContact N-OE2 3.02Å; N36-E144 PolarHBondContact O-N 3.16Å; E144-K278 VanDerWaalsContact CD-NZ 3.32Å; E144-K278 WeakPolarHBondContact OE1-CE 3.37Å; E144-K278 IonicContact OE1-NZ 2.74Å; E144-K278 PolarHBondContact OE1-NZ 3.3Å; E144-K278 VanDerWaalsContact OE2-CE 3.32Å; E144-K278 WeakPolarHBondContact OE2-CE 3.03Å; E144-K278 IonicContact OE2-NZ 3.33Å; E144-K278 PolarHBondContact OE2-NZ 2.69Å
145V96.6Very high94.7Very high1 Ų133.7 Ų33.71%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-124.7130176.3-171.90000109.7K5 I7 L30 W35 N36 V37 T38K5-V145 HydrophobicContact CB-CG1 4.46Å; K5-V145 HydrophobicContact CB-CG2 4.29Å; K5-V145 CarbonylContact O-C 3.27Å; K5-V145 WeakPolarHBondContact O-CA 3.43Å; I7-V145 HydrophobicContact CD1-CG1 3.74Å; I7-V145 HydrophobicContact CG1-CG1 4.07Å; L30-V145 HydrophobicContact CD1-CB 4.38Å; L30-V145 HydrophobicContact CD1-CG1 3.87Å; L30-V145 HydrophobicContact CD1-CG2 4.48Å; W35-V145 HydrophobicContact CB-CG2 4.5Å; N36-V145 PolarHBondContact O-N 2.72Å; N36-V145 VanDerWaalsContact O-N 3.11Å; V37-V145 WeakPolarHBondContact CA-O 3.34Å; V37-V145 HydrophobicContact CG2-CB 4.46Å; T38-V145 PolarHBondContact N-O 3.38Å
146C98.3Very high94.7Very high0 Ų033.8 Ų33.80%021%0.213CC..EExtended strand (participates in β ladder)trans-113.4116.3174.9-1800000109.7V4 K5 Y6 I7 T38V4-C146 HydrophobicContact CG1-CB 3.93Å; K5-C146 PolarHBondContact O-N 3.05Å; Y6-C146 WeakPolarHBondContact CA-O 3.28Å; Y6-C146 HydrophobicContact CD1-CB 3.89Å; Y6-C146 HydrophobicContact CE1-CB 4.11Å; I7-C146 PolarHBondContact N-O 3.01Å; T38-C146 HydrophobicContact CG2-CB 3.82Å; T38-C146 WeakPolarHBondContact O-CA 3.46Å
147I98.7Very high94.8Very high1 Ų139.5 Ų39.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-90.2122.9173.5-56.9175.5000108I7 V9 S23 I26 G27 V37 T38 C39 I40I7-I147 HydrophobicContact CB-CG1 4.34Å; I7-I147 HydrophobicContact CD1-CG1 4.34Å; I7-I147 CarbonylContact O-C 3.52Å; I7-I147 WeakPolarHBondContact O-CA 3.4Å; V9-I147 HydrophobicContact CG2-CG2 3.95Å; S23-I147 WeakPolarHBondContact O-CD1 3.32Å; I26-I147 HydrophobicContact CB-CD1 4.07Å; I26-I147 HydrophobicContact CG2-CD1 3.76Å; I26-I147 HydrophobicContact CG2-CG1 4.48Å; G27-I147 VanDerWaalsContact CA-CD1 3.44Å; G27-I147 VanDerWaalsContact N-CD1 3.33Å; V37-I147 HydrophobicContact CG1-CD1 3.77Å; V37-I147 HydrophobicContact CG1-CG1 4.02Å; T38-I147 PolarHBondContact O-N 3.01Å; C39-I147 CarbonylContact C-O 3.56Å; C39-I147 VanDerWaalsContact CA-O 3.26Å; C39-I147 WeakPolarHBondContact CA-O 3.32Å; I40-I147 PolarHBondContact N-O 3.21Å
148I98.7Very high95.1Very high0 Ų042.6 Ų42.60%026%0.255CS..EExtended strand (participates in β ladder)trans-113.5112.4-179.2-54.9162.4000107.4Y6 I7 L8 V9 I40 I42 V128 F166Y6-I148 HydrophobicContact CD1-CD1 3.91Å; I7-I148 PolarHBondContact O-N 2.87Å; L8-I148 CarbonylContact C-O 3.58Å; L8-I148 WeakPolarHBondContact CA-O 3.39Å; L8-I148 HydrophobicContact CD1-CB 4.22Å; L8-I148 HydrophobicContact CD1-CG2 4.04Å; V9-I148 PolarHBondContact N-O 3.21Å; I40-I148 HydrophobicContact CB-CG1 4.44Å; I40-I148 CarbonylContact O-C 3.45Å; I40-I148 WeakPolarHBondContact O-CA 3.26Å; I42-I148 HydrophobicContact CD1-CG2 3.78Å; I42-I148 HydrophobicContact CG1-CG2 4.13Å; V128-I148 HydrophobicContact CG1-CD1 3.46Å; V128-I148 VanDerWaalsContact CG1-CD1 3.46Å; V128-I148 HydrophobicContact CG1-CG1 4.27Å; I148-F166 HydrophobicContact CD1-CE1 3.89Å; I148-F166 HydrophobicContact CD1-CZ 4.41Å; I148-F166 HydrophobicContact CG2-CE1 4.25Å; I148-F166 HydrophobicContact CG2-CE2 4.38Å; I148-F166 HydrophobicContact CG2-CZ 3.68Å
149E98.5Very high95.5Very high2 Ų234.2 Ų34.21%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-92.6119.2172.1-179.7172.615900110.6K19 G20 S23 I40 K41 I42 Y77K19-E149 HydrophobicContact CB-CG 4.16Å; K19-E149 WeakPolarHBondContact CB-OE1 3.47Å; K19-E149 HydrophobicContact CD-CG 4.46Å; G20-E149 WeakPolarHBondContact CA-OE2 3.43Å; G20-E149 PolarHBondContact N-OE1 3.45Å; G20-E149 PolarHBondContact N-OE2 3.08Å; G20-E149 VanDerWaalsContact N-OE2 3.12Å; S23-E149 PolarHBondContact OG-OE2 3.23Å; S23-E149 VanDerWaalsContact OG-OE2 3.06Å; I40-E149 PolarHBondContact O-N 3.31Å; K41-E149 HydrophobicContact CD-CB 4.11Å; K41-E149 HydrophobicContact CD-CG 4.05Å; I42-E149 PolarHBondContact N-O 3.4Å; Y77-E149 VanDerWaalsContact OH-CB 3.24Å; Y77-E149 WeakPolarHBondContact OH-CB 3.35Å; Y77-E149 PolarHBondContact OH-OE2 3.05Å
150L98.1Very high96Very high3 Ų335.9 Ų35.92%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-88.5109.6168.4-177.658.7000109.6L8 V9 T10 K19 I42 P44 I154 Y162 V163L8-L150 HydrophobicContact CD1-CB 4.29Å; V9-L150 PolarHBondContact O-N 2.88Å; T10-L150 HydrophobicContact CG2-CD2 4.5Å; K19-L150 VanDerWaalsContact CE-O 3.23Å; K19-L150 WeakPolarHBondContact CE-O 3.24Å; I42-L150 HydrophobicContact CB-CD1 4.04Å; I42-L150 HydrophobicContact CG2-CD1 3.71Å; P44-L150 HydrophobicContact CG-CD1 4.33Å; L150-I154 HydrophobicContact CD2-CD1 4.46Å; L150-Y162 HydrophobicContact CD1-CD2 4.22Å; L150-Y162 HydrophobicContact CD1-CG 3.99Å; L150-V163 HydrophobicContact CD2-CG2 3.81Å
151G95.9Very high96.3Very high5 Ų534.3 Ų34.35%0.05220%0.199CC..  trans-59.9169.117100000112.8I42 P44I42-G151 WeakPolarHBondContact O-CA 3.43Å; I42-G151 PolarHBondContact O-N 2.99Å; P44-G151 WeakPolarHBondContact CG-O 3.32Å
152G93.9Very high96.6Very high28 Ų2832 Ų3229%0.28918%0.182SC..SBendtrans70.8-158.1-173.900000113.3K19K19-G152 PolarHBondContact NZ-O 2.86Å
153T96.5Very high96.8Very high25 Ų2527.3 Ų27.315%0.15316%0.157CC..  trans-125153.8177.168.50000111.3G12 G155 D156 S159G12-T153 WeakPolarHBondContact O-CB 3.36Å; G12-T153 WeakPolarHBondContact O-CG2 3.45Å; T153-G155 PolarHBondContact O-N 2.62Å; T153-D156 WeakPolarHBondContact CA-OD2 3.23Å; T153-D156 WeakPolarHBondContact CB-OD2 3.07Å; T153-D156 PolarHBondContact N-OD2 2.88Å; T153-D156 WeakPolarHBondContact O-CB 3.27Å; T153-D156 PolarHBondContact O-N 2.78Å; T153-D156 PolarHBondContact OG1-OD1 2.92Å; T153-D156 PolarHBondContact OG1-OD2 3.28Å; T153-S159 PolarHBondContact O-OG 3.11Å
154I96.7Very high97Very high16 Ų1629.3 Ų29.38%0.08217%0.166CC..THydrogen-bonded Turntrans-68.9125.6173.2-65-66.4000109T10 G11 L150 V163 E206 L207T10-I154 HydrophobicContact CG2-CD1 4.15Å; G11-I154 WeakPolarHBondContact O-CG1 3.34Å; G11-I154 PolarHBondContact O-N 3.06Å; L150-I154 HydrophobicContact CD2-CD1 4.46Å; I154-V163 HydrophobicContact CD1-CG2 3.62Å; I154-E206 HydrophobicContact CG2-CB 4.15Å; I154-E206 HydrophobicContact CG2-CG 3.93Å; I154-L207 HydrophobicContact CD1-CD1 3.79Å; I154-L207 HydrophobicContact CG1-CD1 4Å; I154-L207 HydrophobicContact CG2-CB 4.22Å; I154-L207 HydrophobicContact CG2-CD1 4.45Å
155G94.2Very high97.1Very high38 Ų3827.5 Ų27.539%0.39216%0.158SC..THydrogen-bonded Turntrans113.7-19.5-174.400000113.2T153T153-G155 PolarHBondContact O-N 2.62Å
156D95.9Very high97.2Very high59 Ų5927.5 Ų27.532%0.31616%0.157SC..  trans-67137.1174.8-67.7-26.9000111.3T153 E158 S159 M160T153-D156 WeakPolarHBondContact CA-OD2 3.23Å; T153-D156 WeakPolarHBondContact CB-OD2 3.07Å; T153-D156 PolarHBondContact N-OD2 2.88Å; T153-D156 WeakPolarHBondContact O-CB 3.27Å; T153-D156 PolarHBondContact O-N 2.78Å; T153-D156 PolarHBondContact OG1-OD1 2.92Å; T153-D156 PolarHBondContact OG1-OD2 3.28Å; D156-E158 WeakPolarHBondContact CB-OE2 3.14Å; D156-E158 PolarHBondContact O-N 2.97Å; D156-S159 PolarHBondContact O-N 3.21Å; D156-S159 VanDerWaalsContact O-N 3.13Å; D156-S159 PolarHBondContact O-OG 3.4Å; D156-M160 WeakPolarHBondContact O-CG 3.48Å; D156-M160 PolarHBondContact O-N 2.86Å
157I97.1Very high97.2Very high126 Ų12631 Ų3165%0.64617%0.17SC*.THydrogen-bonded Turntrans-60.7-34.9-179.2-172.4172.1000111.5S159 M160I157-S159 VanDerWaalsContact C-N 3.27Å; I157-S159 PolarHBondContact O-N 2.85Å; I157-M160 HydrophobicContact CG1-SD 4.49Å; I157-M160 PolarHBondContact O-N 2.91Å
158E96.6Very high97.2Very high97 Ų9732 Ų3245%0.45318%0.176SC..THydrogen-bonded Turntrans-66-30.6-179.4-57.284.6174.600111.8P44 D156P44-E158 HydrophobicContact CB-CB 3.51Å; D156-E158 WeakPolarHBondContact CB-OE2 3.14Å; D156-E158 PolarHBondContact O-N 2.97Å
159S95.5Very high97.1Very high1 Ų132 Ų321%0.00718%0.176CC..THydrogen-bonded Turntrans-87.6-19.3-177.174.60000113.3T153 D156 I157 P161 Y162 V163T153-S159 PolarHBondContact O-OG 3.11Å; D156-S159 PolarHBondContact O-N 3.21Å; D156-S159 VanDerWaalsContact O-N 3.13Å; D156-S159 PolarHBondContact O-OG 3.4Å; I157-S159 VanDerWaalsContact C-N 3.27Å; I157-S159 PolarHBondContact O-N 2.85Å; S159-P161 VanDerWaalsContact C-CD 3.5Å; S159-Y162 WeakPolarHBondContact O-CB 3.32Å; S159-Y162 PolarHBondContact O-N 3.08Å; S159-V163 WeakPolarHBondContact O-CG2 3.48Å; S159-V163 PolarHBondContact O-N 2.89Å
160M97.3Very high97Very high103 Ų10333.5 Ų33.551%0.50718%0.183SC..Hα-helixtrans-52.1-44.9-176-65.9-177.7178.500114.4D156 I157 Y162 V163 E164D156-M160 WeakPolarHBondContact O-CG 3.48Å; D156-M160 PolarHBondContact O-N 2.86Å; I157-M160 HydrophobicContact CG1-SD 4.49Å; I157-M160 PolarHBondContact O-N 2.91Å; M160-Y162 VanDerWaalsContact C-N 3.27Å; M160-Y162 PolarHBondContact O-N 2.81Å; M160-V163 PolarHBondContact O-N 2.85Å; M160-E164 PolarHBondContact O-N 3.41Å
161P97.9Very high96.9Very high17 Ų1740.4 Ų40.411%0.1121%0.213CC..Hα-helixtrans-60.8-35.4178.3-23.935.6000113.1V116 I120 I124 S159 A165V116-P161 HydrophobicContact CG1-CB 4.14Å; V116-P161 HydrophobicContact CG1-CG 4.42Å; I120-P161 HydrophobicContact CG2-CB 4.44Å; I124-P161 HydrophobicContact CD1-CB 4.48Å; S159-P161 VanDerWaalsContact C-CD 3.5Å; P161-A165 WeakPolarHBondContact O-CB 3.39Å; P161-A165 PolarHBondContact O-N 3.32Å
162Y98.4Very high96.9Very high3 Ų346.6 Ų46.61%0.01224%0.235CC..Hα-helixtrans-75-42.3179.6-59.4-79.4000111.8I42 P44 I91 T93 I124 L150 S159 M160 E164 A165 F166I42-Y162 HydrophobicContact CD1-CD1 4.09Å; I42-Y162 HydrophobicContact CG2-CD1 3.41Å; I42-Y162 VanDerWaalsContact CG2-CD1 3.41Å; I42-Y162 HydrophobicContact CG2-CD2 4.12Å; I42-Y162 HydrophobicContact CG2-CE1 3.34Å; I42-Y162 HydrophobicContact CG2-CE2 4.06Å; I42-Y162 HydrophobicContact CG2-CG 3.8Å; P44-Y162 HydrophobicContact CB-CE2 4.42Å; I91-Y162 HydrophobicContact CG2-CE1 4.35Å; T93-Y162 WeakPolarHBondContact CA-OH 3.46Å; T93-Y162 WeakPolarHBondContact CB-OH 3.34Å; T93-Y162 PolarHBondContact N-OH 2.85Å; T93-Y162 WeakPolarHBondContact OG1-CE2 3.49Å; T93-Y162 PolarHBondContact OG1-OH 2.82Å; I124-Y162 HydrophobicContact CD1-CD1 3.58Å; I124-Y162 HydrophobicContact CD1-CE1 3.76Å; I124-Y162 HydrophobicContact CD1-CG 4.27Å; I124-Y162 HydrophobicContact CG1-CD1 4.06Å; I124-Y162 HydrophobicContact CG1-CE1 3.98Å; I124-Y162 HydrophobicContact CG2-CD1 3.99Å; I124-Y162 HydrophobicContact CG2-CE1 4.49Å; L150-Y162 HydrophobicContact CD1-CD2 4.22Å; L150-Y162 HydrophobicContact CD1-CG 3.99Å; S159-Y162 WeakPolarHBondContact O-CB 3.32Å; S159-Y162 PolarHBondContact O-N 3.08Å; M160-Y162 VanDerWaalsContact C-N 3.27Å; M160-Y162 PolarHBondContact O-N 2.81Å; Y162-E164 VanDerWaalsContact C-N 3.3Å; Y162-E164 PolarHBondContact O-N 3.02Å; Y162-A165 WeakPolarHBondContact O-CB 3.25Å; Y162-A165 PolarHBondContact O-N 3.09Å; Y162-A165 VanDerWaalsContact O-N 3.15Å; Y162-F166 WeakPolarHBondContact O-CD2 3.36Å; Y162-F166 PolarHBondContact O-N 3.05Å
163V98Very high97Very high5 Ų546.8 Ų46.83%0.0323%0.231CC..Hα-helixtrans-59.8-44.1176.6179.60000110.4L150 I154 S159 M160 F166 R167 C210 L212L150-V163 HydrophobicContact CD2-CG2 3.81Å; I154-V163 HydrophobicContact CD1-CG2 3.62Å; S159-V163 WeakPolarHBondContact O-CG2 3.48Å; S159-V163 PolarHBondContact O-N 2.89Å; M160-V163 PolarHBondContact O-N 2.85Å; V163-F166 PolarHBondContact O-N 2.82Å; V163-R167 WeakPolarHBondContact O-CB 3.32Å; V163-R167 PolarHBondContact O-N 2.78Å; V163-C210 HydrophobicContact CG1-CB 3.41Å; V163-C210 VanDerWaalsContact CG1-CB 3.41Å; V163-L212 HydrophobicContact CG1-CD1 3.93Å
164E98.3Very high96.9Very high48 Ų4847 Ų4722%0.22424%0.238CC..Hα-helixtrans-65.1-39.4174.8174.753.5-15400112.2V117 T121 M160 Y162 F166 R167 Q168V117-E164 HydrophobicContact CG2-CG 3.82Å; T121-E164 HydrophobicContact CG2-CB 4.34Å; T121-E164 HydrophobicContact CG2-CG 3.92Å; M160-E164 PolarHBondContact O-N 3.41Å; Y162-E164 VanDerWaalsContact C-N 3.3Å; Y162-E164 PolarHBondContact O-N 3.02Å; E164-F166 VanDerWaalsContact C-N 3.34Å; E164-F166 PolarHBondContact O-N 3.12Å; E164-R167 PolarHBondContact O-N 2.54Å; E164-R167 IonicContact OE1-CZ 2.65Å; E164-R167 IonicContact OE1-NE 2.73Å; E164-R167 PolarHBondContact OE1-NE 3.04Å; E164-R167 IonicContact OE1-NH2 3.52Å; E164-R167 PolarHBondContact OE1-NH2 2.98Å; E164-R167 IonicContact OE2-CZ 2.82Å; E164-R167 IonicContact OE2-NE 3.55Å; E164-R167 PolarHBondContact OE2-NE 3.06Å; E164-R167 IonicContact OE2-NH2 3.6Å; E164-Q168 WeakPolarHBondContact O-CG 3.37Å; E164-Q168 PolarHBondContact O-N 3.11Å; E164-Q168 PolarHBondContact OE1-NE2 2.9Å
165A98.5Very high96.7Very high0 Ų050.1 Ų50.10%026%0.261CS..Hα-helixtrans-59.9-43.9174.100000111.7T121 I124 I125 P161 Y162 Q168 M169T121-A165 HydrophobicContact CG2-CB 4.03Å; I124-A165 HydrophobicContact CB-CB 3.94Å; I124-A165 HydrophobicContact CD1-CB 4.08Å; I124-A165 HydrophobicContact CG2-CB 3.77Å; I125-A165 WeakPolarHBondContact CD1-O 3.35Å; I125-A165 HydrophobicContact CG1-CB 4.29Å; P161-A165 WeakPolarHBondContact O-CB 3.39Å; P161-A165 PolarHBondContact O-N 3.32Å; Y162-A165 WeakPolarHBondContact O-CB 3.25Å; Y162-A165 PolarHBondContact O-N 3.09Å; Y162-A165 VanDerWaalsContact O-N 3.15Å; A165-Q168 PolarHBondContact O-N 3.05Å; A165-M169 WeakPolarHBondContact O-CB 3.48Å; A165-M169 PolarHBondContact O-N 2.91Å
166F98.4Very high96.8Very high0 Ų051 Ų510%026%0.259CS..Hα-helixtrans-72.3-32.6178.6-69.8-54.4000113.7L8 I42 V128 I148 Y162 V163 E164 Q168 M169 L170 F178 L212L8-F166 HydrophobicContact CD1-CD1 4.34Å; L8-F166 HydrophobicContact CD1-CD2 3.61Å; L8-F166 HydrophobicContact CD1-CE1 4.35Å; L8-F166 HydrophobicContact CD1-CE2 3.6Å; L8-F166 HydrophobicContact CD1-CG 4.02Å; L8-F166 HydrophobicContact CD1-CZ 4.01Å; L8-F166 HydrophobicContact CD2-CB 3.74Å; L8-F166 HydrophobicContact CD2-CD1 4.49Å; L8-F166 HydrophobicContact CD2-CD2 3.81Å; L8-F166 HydrophobicContact CD2-CG 3.75Å; L8-F166 HydrophobicContact CG-CD2 4.37Å; L8-F166 HydrophobicContact CG-CG 4.47Å; I42-F166 HydrophobicContact CD1-CE2 3.67Å; I42-F166 HydrophobicContact CD1-CZ 3.39Å; V128-F166 HydrophobicContact CG2-CE1 4.31Å; V128-F166 HydrophobicContact CG2-CZ 4.37Å; I148-F166 HydrophobicContact CD1-CE1 3.89Å; I148-F166 HydrophobicContact CD1-CZ 4.41Å; I148-F166 HydrophobicContact CG2-CE1 4.25Å; I148-F166 HydrophobicContact CG2-CE2 4.38Å; I148-F166 HydrophobicContact CG2-CZ 3.68Å; Y162-F166 WeakPolarHBondContact O-CD2 3.36Å; Y162-F166 PolarHBondContact O-N 3.05Å; V163-F166 PolarHBondContact O-N 2.82Å; E164-F166 VanDerWaalsContact C-N 3.34Å; E164-F166 PolarHBondContact O-N 3.12Å; F166-Q168 VanDerWaalsContact C-N 3.29Å; F166-Q168 PolarHBondContact O-N 2.92Å; F166-M169 HydrophobicContact CD1-CB 4.43Å; F166-M169 HydrophobicContact CD1-SD 3.89Å; F166-M169 HydrophobicContact CE1-SD 3.99Å; F166-M169 PolarHBondContact O-N 3.12Å; F166-L170 WeakPolarHBondContact O-CB 3.41Å; F166-L170 PolarHBondContact O-N 2.84Å; F166-F178 HydrophobicContact CB-CZ 4.2Å; F166-F178 HydrophobicContact CD1-CE2 4.23Å; F166-F178 HydrophobicContact CD1-CZ 4.44Å; F166-L212 HydrophobicContact CB-CD1 4.34Å
167R98Very high96.8Very high73 Ų7349.5 Ų49.528%0.27525%0.25SS..Hα-helixtrans-57.8-45.2169.2-169.7-161.666.973.92.9110.5V163 E164 F171 C210 L212V163-R167 WeakPolarHBondContact O-CB 3.32Å; V163-R167 PolarHBondContact O-N 2.78Å; E164-R167 PolarHBondContact O-N 2.54Å; E164-R167 IonicContact OE1-CZ 2.65Å; E164-R167 IonicContact OE1-NE 2.73Å; E164-R167 PolarHBondContact OE1-NE 3.04Å; E164-R167 IonicContact OE1-NH2 3.52Å; E164-R167 PolarHBondContact OE1-NH2 2.98Å; E164-R167 IonicContact OE2-CZ 2.82Å; E164-R167 IonicContact OE2-NE 3.55Å; E164-R167 PolarHBondContact OE2-NE 3.06Å; E164-R167 IonicContact OE2-NH2 3.6Å; R167-F171 HydrophobicContact CG-CE2 4.31Å; R167-F171 WeakPolarHBondContact O-CD2 3.44Å; R167-F171 WeakPolarHBondContact O-CE2 3.46Å; R167-C210 WeakPolarHBondContact CD-O 3.26Å; R167-L212 HydrophobicContact CB-CD2 4.33Å
168Q98Very high96.8Very high24 Ų2443.5 Ų43.511%0.11222%0.22CC..Hα-helixtrans-68.2-40.9174.7-66.8178.23600112.5T121 I125 E164 A165 F166 L170 F171 R172T121-Q168 PolarHBondContact OG1-NE2 2.71Å; I125-Q168 HydrophobicContact CD1-CB 3.98Å; E164-Q168 WeakPolarHBondContact O-CG 3.37Å; E164-Q168 PolarHBondContact O-N 3.11Å; E164-Q168 PolarHBondContact OE1-NE2 2.9Å; A165-Q168 PolarHBondContact O-N 3.05Å; F166-Q168 VanDerWaalsContact C-N 3.29Å; F166-Q168 PolarHBondContact O-N 2.92Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 2.86Å; Q168-F171 PolarHBondContact O-N 3.07Å; Q168-R172 WeakPolarHBondContact O-CG 3.32Å; Q168-R172 PolarHBondContact O-N 2.94Å; Q168-R172 VanDerWaalsContact O-N 3.13Å; Q168-R172 VanDerWaalsContact OE1-NH2 3.14Å
169M97.4Very high96.9Very high0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-59.5-43.5179.7-168.9175.9175.800112Y6 I125 V128 A165 F166 F171 R172 V173 F178Y6-M169 HydrophobicContact CD1-CE 3.53Å; Y6-M169 HydrophobicContact CD2-CE 3.64Å; Y6-M169 HydrophobicContact CE1-CE 3.49Å; Y6-M169 VanDerWaalsContact CE1-CE 3.49Å; Y6-M169 HydrophobicContact CE2-CE 3.62Å; Y6-M169 HydrophobicContact CG-CE 3.59Å; I125-M169 HydrophobicContact CD1-CB 4.4Å; I125-M169 HydrophobicContact CG1-CB 4.15Å; I125-M169 HydrophobicContact CG2-CG 4.36Å; V128-M169 HydrophobicContact CG1-CE 3.78Å; V128-M169 HydrophobicContact CG1-SD 4.11Å; A165-M169 WeakPolarHBondContact O-CB 3.48Å; A165-M169 PolarHBondContact O-N 2.91Å; F166-M169 HydrophobicContact CD1-CB 4.43Å; F166-M169 HydrophobicContact CD1-SD 3.89Å; F166-M169 HydrophobicContact CE1-SD 3.99Å; F166-M169 PolarHBondContact O-N 3.12Å; M169-F171 PolarHBondContact O-N 3.34Å; M169-R172 PolarHBondContact O-N 3.22Å; M169-V173 HydrophobicContact CE-CG1 4.33Å; M169-V173 HydrophobicContact CG-CG1 4.24Å; M169-V173 WeakPolarHBondContact O-CG2 3.46Å; M169-V173 PolarHBondContact O-N 2.95Å; M169-F178 HydrophobicContact SD-CE2 4.43Å
170L96.7Very high97.1Very high33 Ų3339 Ų3917%0.17320%0.199CC..Hα-helixtrans-49.2-45.8174.916962.6000111.7F166 Q168 G174 F178 L212F166-L170 WeakPolarHBondContact O-CB 3.41Å; F166-L170 PolarHBondContact O-N 2.84Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 2.86Å; L170-G174 CarbonylContact O-C 3.53Å; L170-G174 WeakPolarHBondContact O-CA 3.39Å; L170-G174 PolarHBondContact O-N 3.25Å; L170-F178 HydrophobicContact CB-CD1 4.25Å; L170-F178 HydrophobicContact CB-CE1 4.49Å; L170-F178 HydrophobicContact CB-CG 4.36Å; L170-F178 HydrophobicContact CD1-CB 3.83Å; L170-F178 HydrophobicContact CD1-CD1 3.74Å; L170-F178 HydrophobicContact CD1-CG 3.98Å; L170-L212 HydrophobicContact CD2-CD2 4.43Å
171F95.6Very high97.1Very high148 Ų14834 Ų3465%0.64917%0.174SC*.Hα-helixtrans-74-30.8178.1-63.9-68.7000113.2R167 Q168 M169R167-F171 HydrophobicContact CG-CE2 4.31Å; R167-F171 WeakPolarHBondContact O-CD2 3.44Å; R167-F171 WeakPolarHBondContact O-CE2 3.46Å; Q168-F171 PolarHBondContact O-N 3.07Å; M169-F171 PolarHBondContact O-N 3.34Å
172R95.9Very high97.1Very high135 Ų13533.2 Ų33.251%0.50917%0.169SC..Hα-helixtrans-71.5-40.6178.5-69-178.1-166-165.85112.7D122 Q168 M169D122-R172 IonicContact OD1-CZ 3.02Å; D122-R172 IonicContact OD1-NH1 3.85Å; D122-R172 PolarHBondContact OD1-NH1 3.4Å; D122-R172 IonicContact OD1-NH2 3.19Å; D122-R172 PolarHBondContact OD1-NH2 3.26Å; Q168-R172 WeakPolarHBondContact O-CG 3.32Å; Q168-R172 PolarHBondContact O-N 2.94Å; Q168-R172 VanDerWaalsContact O-N 3.13Å; Q168-R172 VanDerWaalsContact OE1-NH2 3.14Å; M169-R172 PolarHBondContact O-N 3.22Å
173V95.4Very high97.1Very high32 Ų3233.1 Ų33.119%0.19417%0.169CC..Hα-helixtrans-93.8-19.2-178-53.20000113.1Y6 M169 N177 F178Y6-V173 HydrophobicContact CD2-CG1 4.37Å; Y6-V173 HydrophobicContact CD2-CG2 4.36Å; Y6-V173 HydrophobicContact CE2-CG1 4.09Å; M169-V173 HydrophobicContact CE-CG1 4.33Å; M169-V173 HydrophobicContact CG-CG1 4.24Å; M169-V173 WeakPolarHBondContact O-CG2 3.46Å; M169-V173 PolarHBondContact O-N 2.95Å; V173-N177 HydrophobicContact CB-CB 4.21Å; V173-N177 HydrophobicContact CG2-CB 4.14Å; V173-N177 PolarHBondContact O-ND2 2.91Å; V173-F178 HydrophobicContact CG2-CB 3.89Å; V173-F178 HydrophobicContact CG2-CD2 4.31Å
174G94.7Very high97.1Very high29 Ų2932.9 Ų32.930%0.29917%0.167SC..  trans84.6150.7-175.800000112.9L170 V176 N177 F178L170-G174 CarbonylContact O-C 3.53Å; L170-G174 WeakPolarHBondContact O-CA 3.39Å; L170-G174 PolarHBondContact O-N 3.25Å; G174-V176 VanDerWaalsContact C-N 3.25Å; G174-V176 PolarHBondContact O-N 3.18Å; G174-N177 PolarHBondContact O-N 3.1Å; G174-F178 PolarHBondContact O-N 2.81Å
175S93.3Very high97.1Very high82 Ų8232.5 Ų32.557%0.57317%0.167SC*.G310 helixtrans-59.2-31.5-176.852.30000114N177 F178 H272S175-N177 PolarHBondContact O-N 3.32Å; S175-F178 PolarHBondContact O-N 3.13Å; S175-H272 PolarHBondContact O-NE2 2.87Å
176V94.9Very high97Very high56 Ų5632.6 Ų32.634%0.33917%0.167SC..G310 helixtrans-70.3-10.2177.6-176.50000112.7K5 G174 F273 H274K5-V176 PolarHBondContact NZ-O 3.43Å; G174-V176 VanDerWaalsContact C-N 3.25Å; G174-V176 PolarHBondContact O-N 3.18Å; V176-F273 WeakPolarHBondContact O-CD1 3.46Å; V176-H274 HydrophobicContact CG1-CB 4.32Å
177N96.9Very high96.9Very high27 Ų2734.4 Ų34.414%0.14418%0.179CC..G310 helixtrans-115.54.3177.3-60-47.9000113T3 K5 Y6 V173 G174 S175T3-N177 HydrophobicContact CG2-CB 4.46Å; K5-N177 HydrophobicContact CD-CB 4.3Å; K5-N177 WeakPolarHBondContact CD-OD1 3.46Å; K5-N177 WeakPolarHBondContact CE-OD1 3.35Å; K5-N177 PolarHBondContact NZ-OD1 3.26Å; Y6-N177 PolarHBondContact N-O 2.87Å; V173-N177 HydrophobicContact CB-CB 4.21Å; V173-N177 HydrophobicContact CG2-CB 4.14Å; V173-N177 PolarHBondContact O-ND2 2.91Å; G174-N177 PolarHBondContact O-N 3.1Å; S175-N177 PolarHBondContact O-N 3.32Å
178F98Very high96.7Very high1 Ų134 Ų340%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-136.9129.7-176.6-168.5-83000110.8Y6 L8 F166 M169 L170 V173 G174 S175 C180 H272Y6-F178 CarbonylContact O-C 3.24Å; Y6-F178 WeakPolarHBondContact O-CA 3.39Å; L8-F178 HydrophobicContact CB-CE1 4.15Å; L8-F178 HydrophobicContact CB-CE2 4.33Å; L8-F178 HydrophobicContact CB-CZ 3.62Å; L8-F178 HydrophobicContact CD2-CE1 4.46Å; L8-F178 HydrophobicContact CD2-CZ 3.87Å; L8-F178 HydrophobicContact CG-CZ 4.37Å; F166-F178 HydrophobicContact CB-CZ 4.2Å; F166-F178 HydrophobicContact CD1-CE2 4.23Å; F166-F178 HydrophobicContact CD1-CZ 4.44Å; M169-F178 HydrophobicContact SD-CE2 4.43Å; L170-F178 HydrophobicContact CB-CD1 4.25Å; L170-F178 HydrophobicContact CB-CE1 4.49Å; L170-F178 HydrophobicContact CB-CG 4.36Å; L170-F178 HydrophobicContact CD1-CB 3.83Å; L170-F178 HydrophobicContact CD1-CD1 3.74Å; L170-F178 HydrophobicContact CD1-CG 3.98Å; V173-F178 HydrophobicContact CG2-CB 3.89Å; V173-F178 HydrophobicContact CG2-CD2 4.31Å; G174-F178 PolarHBondContact O-N 2.81Å; S175-F178 PolarHBondContact O-N 3.13Å; F178-C180 HydrophobicContact CE1-CB 4.25Å; F178-H272 PolarHBondContact O-NE2 3.32Å
179C98.1Very high96.3Very high0 Ų037.6 Ų37.60%020%0.2CC..EExtended strand (participates in β ladder)trans-127.7123.4177.2179.60000109.6Y6 I7 L8 D215 F273Y6-C179 PolarHBondContact O-N 3.24Å; I7-C179 CarbonylContact C-O 3.59Å; I7-C179 WeakPolarHBondContact CA-O 3.43Å; I7-C179 HydrophobicContact CG1-CB 4.38Å; L8-C179 PolarHBondContact N-O 3.29Å; C179-D215 WeakPolarHBondContact CA-OD2 3.37Å; C179-F273 HydrophobicContact CB-CE1 3.87Å; C179-F273 HydrophobicContact CB-CE2 4.22Å; C179-F273 HydrophobicContact CB-CZ 3.42Å; C179-F273 VanDerWaalsContact CB-CZ 3.42Å
180C98.3Very high96Very high2 Ų247.1 Ų47.11%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-95.3108.2174.8-176.40000110.5F178 H213 P214 D215 L216F178-C180 HydrophobicContact CE1-CB 4.25Å; C180-H213 WeakPolarHBondContact CB-O 3.47Å; C180-P214 CarbonylContact O-C 3.51Å; C180-P214 WeakPolarHBondContact O-CA 3.05Å; C180-D215 PolarHBondContact N-OD2 2.97Å; C180-D215 PolarHBondContact O-N 3.03Å; C180-L216 PolarHBondContact O-N 3.22Å
181V98.4Very high95.7Very high0 Ų050.8 Ų50.80%027%0.272CS..EExtended strand (participates in β ladder)trans-93.8121170.8-178.20000108.5I7 L8 V9 T10 I22 I26 L216 M218I7-V181 HydrophobicContact CG2-CG2 3.61Å; L8-V181 PolarHBondContact O-N 3.08Å; V9-V181 CarbonylContact C-O 3.47Å; V9-V181 WeakPolarHBondContact CA-O 3.44Å; V9-V181 HydrophobicContact CG2-CB 4.28Å; T10-V181 PolarHBondContact N-O 3.41Å; T10-V181 PolarHBondContact OG1-O 2.99Å; I22-V181 HydrophobicContact CG2-CG1 4.49Å; I26-V181 HydrophobicContact CD1-CG1 4.36Å; I26-V181 HydrophobicContact CD1-CG2 4.26Å; V181-L216 WeakPolarHBondContact CA-O 3.47Å; V181-L216 HydrophobicContact CG1-CB 4.46Å; V181-L216 HydrophobicContact CG2-CB 4.2Å; V181-L216 HydrophobicContact CG2-CD1 4.13Å; V181-M218 HydrophobicContact CG1-CE 4.08Å; V181-M218 HydrophobicContact CG1-CG 3.59Å
182H98.5Very high95.4Very high0 Ų047.1 Ų47.10%026%0.262CS..EExtended strand (participates in β ladder)trans-109.1121.6176.3-17159.7000110.7T10 S203 L207 P214 L216 L217 M218T10-H182 PolarHBondContact OG1-ND1 2.98Å; H182-S203 PolarHBondContact CE1-OG 2.85Å; H182-S203 VanDerWaalsContact CE1-OG 3.3Å; H182-S203 PolarHBondContact NE2-OG 3.41Å; H182-L207 HydrophobicContact CB-CD2 3.9Å; H182-P214 HydrophobicContact CB-CB 3.88Å; H182-L216 PolarHBondContact N-O 3.14Å; H182-L217 HydrophobicContact CB-CD1 4.16Å; H182-M218 PolarHBondContact O-N 3.21Å
183V98.3Very high95.1Very high1 Ų142.7 Ų42.71%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-97.6118.1178.3-1700000109.4V9 T10 G12 I17 K19 I22 M218V9-V183 HydrophobicContact CG1-CG2 3.79Å; T10-V183 PolarHBondContact O-N 3.11Å; G12-V183 PolarHBondContact N-O 3.39Å; I17-V183 HydrophobicContact CD1-CG1 4.29Å; I17-V183 HydrophobicContact CG1-CG1 4.24Å; I17-V183 HydrophobicContact CG2-CB 4.36Å; I17-V183 HydrophobicContact CG2-CG1 3.86Å; K19-V183 HydrophobicContact CG-CB 4.48Å; I22-V183 HydrophobicContact CB-CG2 4.28Å; I22-V183 HydrophobicContact CG1-CG1 4.38Å; I22-V183 HydrophobicContact CG1-CG2 4.22Å; I22-V183 HydrophobicContact CG2-CG2 4.13Å; V183-M218 WeakPolarHBondContact CA-O 3.36Å; V183-M218 HydrophobicContact CB-CB 4.38Å; V183-M218 HydrophobicContact CG1-CB 4.3Å; V183-M218 HydrophobicContact CG2-CB 4.09Å; V183-M218 HydrophobicContact CG2-CG 4.44Å
184S97.9Very high94.9Very high0 Ų046.5 Ų46.50%027%0.274CS..EExtended strand (participates in β ladder)trans-133.8155.7-174.9-176.30000112.2T200 M218 R220S184-T200 WeakPolarHBondContact OG-CA 3.29Å; S184-T200 VanDerWaalsContact OG-CB 3.3Å; S184-T200 WeakPolarHBondContact OG-CB 3.23Å; S184-T200 PolarHBondContact OG-OG1 2.89Å; S184-M218 PolarHBondContact N-O 3.25Å; S184-R220 PolarHBondContact O-N 3.37Å
185L97.5Very high94.9Very high40 Ų4046.4 Ų46.421%0.20927%0.268CS..EExtended strand (participates in β ladder)trans-94.1131.6-177-172.867.9000110.3V13 I14 I17 P187 T200 R220V13-L185 HydrophobicContact CB-CB 4.1Å; V13-L185 HydrophobicContact CG2-CB 4.12Å; I14-L185 HydrophobicContact CD1-CD2 3.99Å; I14-L185 HydrophobicContact CG1-CD2 4.36Å; I17-L185 HydrophobicContact CD1-CB 3.72Å; I17-L185 VanDerWaalsContact CD1-N 3.32Å; L185-P187 HydrophobicContact CD2-CB 4.33Å; L185-P187 HydrophobicContact CG-CB 4.43Å; L185-P187 VanDerWaalsContact O-CD 3.32Å; L185-P187 WeakPolarHBondContact O-CD 3.41Å; L185-T200 PolarHBondContact O-OG1 2.7Å; L185-R220 HydrophobicContact CD1-CB 4.41Å; L185-R220 HydrophobicContact CD1-CG 4.41Å
186V97.2Very high95Very high2 Ų246 Ų461%0.01226%0.256CS..  trans-110.885.9166.6-175.90000107.6P195 C219 R220 C221 L225 I233V186-P195 HydrophobicContact CG1-CB 3.9Å; V186-C219 HydrophobicContact CG2-CB 3.81Å; V186-R220 PolarHBondContact N-O 3.34Å; V186-C221 HydrophobicContact CB-CB 4.29Å; V186-L225 HydrophobicContact CB-CD1 4.45Å; V186-L225 HydrophobicContact CG1-CD1 4.32Å; V186-L225 HydrophobicContact CG1-CD2 3.94Å; V186-L225 HydrophobicContact CG2-CD1 4.29Å; V186-I233 HydrophobicContact CG2-CD1 3.95Å
187P95.3Very high95.1Very high37 Ų3743.5 Ų43.524%0.2424%0.241CC..  trans-70.5146-176.528.9-35000111.2L185 K196 P199L185-P187 HydrophobicContact CD2-CB 4.33Å; L185-P187 HydrophobicContact CG-CB 4.43Å; L185-P187 VanDerWaalsContact O-CD 3.32Å; L185-P187 WeakPolarHBondContact O-CD 3.41Å; P187-K196 WeakPolarHBondContact CD-O 3.47Å; P187-K196 HydrophobicContact CG-CB 4.43Å; P187-K196 PolarHBondContact O-N 3.09Å; P187-P199 HydrophobicContact CG-CG 4.01Å
188Q93.5Very high95.1Very high65 Ų6548.4 Ų48.430%0.30426%0.261SS..BIsolated β-bridgetrans-123.4105170.4-173.5-179.617.600107.9G193 S223Q188-G193 PolarHBondContact NE2-O 3.26Å; Q188-S223 PolarHBondContact OE1-OG 3.47Å
189L90.9Very high95.1Very high100 Ų10050.2 Ų50.252%0.52427%0.273SS..  trans-74.8131.7177.9-64.1174.9000109.3S191 V192 G193L189-S191 PolarHBondContact O-N 2.86Å; L189-V192 PolarHBondContact O-N 2.72Å; L189-V192 VanDerWaalsContact O-N 3.07Å; L189-G193 PolarHBondContact O-N 3.31Å
190Q89.9Confident95.1Very high199 Ų19950.3 Ų50.393%0.9327%0.274SS*.THydrogen-bonded Turntrans-56.8-33.7178.5-69.2-178.8-1000112.6V192Q190-V192 VanDerWaalsContact C-N 3.29Å; Q190-V192 PolarHBondContact O-N 3.21Å
191S91.4Very high95Very high110 Ų11051.4 Ų51.477%0.76928%0.278SS*.THydrogen-bonded Turntrans-67.6-24.6179.1540000114.5L189L189-S191 PolarHBondContact O-N 2.86Å
192V89.7Confident95Very high72 Ų7253.5 Ų53.544%0.43630%0.296SS..THydrogen-bonded Turntrans-110.4-31.9-176.9-173.70000111.6L189 Q190 E194L189-V192 PolarHBondContact O-N 2.72Å; L189-V192 VanDerWaalsContact O-N 3.07Å; Q190-V192 VanDerWaalsContact C-N 3.29Å; Q190-V192 PolarHBondContact O-N 3.21Å; V192-E194 HydrophobicContact CG1-CB 4.14Å; V192-E194 HydrophobicContact CG1-CG 4.27Å; V192-E194 PolarHBondContact O-N 3.13Å; V192-E194 VanDerWaalsContact O-N 3.14Å
193G88.9Confident94.9Very high41 Ų4154 Ų5442%0.42330%0.299SS..  trans72.3-3.6-179.100000115Q188 L189Q188-G193 PolarHBondContact NE2-O 3.26Å; L189-G193 PolarHBondContact O-N 3.31Å
194E91.4Very high94.9Very high113 Ų11354 Ų5453%0.52830%0.299SS..SBendtrans-102.4136.6-178.7-66.3-178.1165.400112.9V192 K196V192-E194 HydrophobicContact CG1-CB 4.14Å; V192-E194 HydrophobicContact CG1-CG 4.27Å; V192-E194 PolarHBondContact O-N 3.13Å; V192-E194 VanDerWaalsContact O-N 3.14Å; E194-K196 PolarHBondContact O-N 2.53Å; E194-K196 IonicContact OE2-NZ 3.75Å; E194-K196 PolarHBondContact OE2-NZ 3.23Å
195P95.2Very high94.9Very high27 Ų2761.6 Ų61.618%0.17533%0.328CS..BIsolated β-bridgetrans-63.9125172.3-14.326.7000111V186 L225 V229V186-P195 HydrophobicContact CG1-CB 3.9Å; P195-L225 HydrophobicContact CB-CD2 3.78Å; P195-L225 HydrophobicContact CG-CD2 4.06Å; P195-V229 HydrophobicContact CB-CG1 4.21Å; P195-V229 HydrophobicContact CB-CG2 4.48Å; P195-V229 HydrophobicContact CG-CG2 4.32Å
196K95.9Very high94.9Very high72 Ų7263.5 Ų63.531%0.31334%0.336SS..  trans-100.3114-178.6-59.8-54.7-179-175.10110.8P187 E194P187-K196 WeakPolarHBondContact CD-O 3.47Å; P187-K196 HydrophobicContact CG-CB 4.43Å; P187-K196 PolarHBondContact O-N 3.09Å; E194-K196 PolarHBondContact O-N 2.53Å; E194-K196 IonicContact OE2-NZ 3.75Å; E194-K196 PolarHBondContact OE2-NZ 3.23Å
197T96.7Very high94.9Very high5 Ų563.4 Ų63.43%0.03134%0.335CS..  trans-87-10.8-177.661.60000113.9T200 Q201 V229 I233T197-T200 WeakPolarHBondContact O-CB 3.43Å; T197-T200 PolarHBondContact O-N 3.12Å; T197-T200 VanDerWaalsContact O-N 3.16Å; T197-Q201 WeakPolarHBondContact O-CG 3.45Å; T197-Q201 PolarHBondContact O-N 3.26Å; T197-Q201 PolarHBondContact OG1-NE2 2.65Å; T197-V229 HydrophobicContact CG2-CG1 3.46Å; T197-V229 VanDerWaalsContact CG2-CG1 3.46Å; T197-I233 HydrophobicContact CG2-CD1 3.86Å; T197-I233 HydrophobicContact CG2-CG1 3.52Å
198K96.9Very high95Very high130 Ų13065.1 Ų65.157%0.56534%0.337SS*.Hα-helixtrans-58.8-42.5-174.7-74-71.5173.3-164.70114.5T200 Q201 A202K198-T200 VanDerWaalsContact C-N 3.31Å; K198-T200 PolarHBondContact O-N 3.41Å; K198-Q201 PolarHBondContact O-N 3.05Å; K198-A202 PolarHBondContact O-N 3.45Å
199P96.9Very high95.2Very high39 Ų3965.7 Ų65.725%0.25335%0.353SS..Hα-helixtrans-58.5-43.4174.6-26.837.4000112.5V13 P187 Q201 A202 S203V13-P199 HydrophobicContact CB-CB 4.5Å; V13-P199 HydrophobicContact CG1-CB 4.03Å; V13-P199 HydrophobicContact CG2-CB 3.57Å; P187-P199 HydrophobicContact CG-CG 4.01Å; P199-Q201 PolarHBondContact O-N 3.49Å; P199-A202 PolarHBondContact O-N 3.39Å; P199-S203 WeakPolarHBondContact O-CB 3.36Å; P199-S203 PolarHBondContact O-N 3.11Å
200T97.8Very high95.4Very high2 Ų262.9 Ų62.91%0.01234%0.341CS..Hα-helixtrans-63.3-40.6175.8-660000112.5S184 L185 T197 K198 A202 S203 V204 L217 I233S184-T200 WeakPolarHBondContact OG-CA 3.29Å; S184-T200 VanDerWaalsContact OG-CB 3.3Å; S184-T200 WeakPolarHBondContact OG-CB 3.23Å; S184-T200 PolarHBondContact OG-OG1 2.89Å; L185-T200 PolarHBondContact O-OG1 2.7Å; T197-T200 WeakPolarHBondContact O-CB 3.43Å; T197-T200 PolarHBondContact O-N 3.12Å; T197-T200 VanDerWaalsContact O-N 3.16Å; K198-T200 VanDerWaalsContact C-N 3.31Å; K198-T200 PolarHBondContact O-N 3.41Å; T200-A202 VanDerWaalsContact C-N 3.34Å; T200-A202 PolarHBondContact O-N 3.31Å; T200-S203 PolarHBondContact O-N 3.28Å; T200-V204 HydrophobicContact CG2-CG2 4.43Å; T200-V204 WeakPolarHBondContact O-CG2 3.33Å; T200-V204 PolarHBondContact O-N 2.8Å; T200-L217 HydrophobicContact CG2-CD1 4.22Å; T200-L217 HydrophobicContact CG2-CD2 3.92Å; T200-L217 HydrophobicContact CG2-CG 4.47Å; T200-I233 HydrophobicContact CG2-CG2 4.41Å
201Q97.5Very high95.6Very high24 Ų2455.1 Ų55.111%0.11232%0.315CS..Hα-helixtrans-61.5-41.5175.6-65.51769.200112.4T197 K198 P199 R205 F236T197-Q201 WeakPolarHBondContact O-CG 3.45Å; T197-Q201 PolarHBondContact O-N 3.26Å; T197-Q201 PolarHBondContact OG1-NE2 2.65Å; K198-Q201 PolarHBondContact O-N 3.05Å; P199-Q201 PolarHBondContact O-N 3.49Å; Q201-R205 WeakPolarHBondContact O-CB 3.28Å; Q201-R205 PolarHBondContact O-N 3.46Å; Q201-R205 VanDerWaalsContact O-N 3.07Å; Q201-F236 HydrophobicContact CG-CB 3.72Å; Q201-F236 HydrophobicContact CG-CG 4.29Å
202A97.3Very high95.9Very high44 Ų4450 Ų5036%0.36428%0.279SS..Hα-helixtrans-67-44.4177.700000111.5K198 P199 T200 R205 E206K198-A202 PolarHBondContact O-N 3.45Å; P199-A202 PolarHBondContact O-N 3.39Å; T200-A202 VanDerWaalsContact C-N 3.34Å; T200-A202 PolarHBondContact O-N 3.31Å; A202-R205 WeakPolarHBondContact O-CB 3.26Å; A202-R205 PolarHBondContact O-N 2.94Å; A202-E206 PolarHBondContact O-N 3.27Å
203S97.4Very high96.2Very high11 Ų1150.1 Ų50.18%0.07727%0.274CS..Hα-helixtrans-59.5-47.7177.8-168.30000112.5G12 H182 P199 T200 R205 E206 L207G12-S203 WeakPolarHBondContact CA-OG 3.36Å; H182-S203 PolarHBondContact CE1-OG 2.85Å; H182-S203 VanDerWaalsContact CE1-OG 3.3Å; H182-S203 PolarHBondContact NE2-OG 3.41Å; P199-S203 WeakPolarHBondContact O-CB 3.36Å; P199-S203 PolarHBondContact O-N 3.11Å; T200-S203 PolarHBondContact O-N 3.28Å; S203-R205 VanDerWaalsContact C-N 3.32Å; S203-R205 PolarHBondContact O-N 2.91Å; S203-E206 PolarHBondContact O-N 2.9Å; S203-L207 PolarHBondContact O-N 2.98Å
204V97.9Very high96.6Very high0 Ų048.3 Ų48.30%026%0.255CS..Hα-helixtrans-67.1-32.9177.2173.40000111.9T200 E206 R208 P214 L217T200-V204 HydrophobicContact CG2-CG2 4.43Å; T200-V204 WeakPolarHBondContact O-CG2 3.33Å; T200-V204 PolarHBondContact O-N 2.8Å; V204-E206 VanDerWaalsContact C-N 3.33Å; V204-R208 HydrophobicContact CG1-CG 4.44Å; V204-R208 WeakPolarHBondContact O-CB 3.46Å; V204-R208 WeakPolarHBondContact O-CG 3.27Å; V204-R208 PolarHBondContact O-N 3.07Å; V204-R208 PolarHBondContact O-NE 3.38Å; V204-P214 HydrophobicContact CG1-CG 3.92Å; V204-P214 HydrophobicContact CG2-CG 4.43Å; V204-L217 HydrophobicContact CG2-CD1 3.87Å; V204-L217 HydrophobicContact CG2-CD2 4.29Å
205R97.5Very high96.9Very high160 Ų16044.8 Ų44.860%0.60424%0.24SC*.Hα-helixtrans-63.3-42.3173.7-178.3-174.465.3-168.1-1111Q201 A202 S203 R208 A209Q201-R205 WeakPolarHBondContact O-CB 3.28Å; Q201-R205 PolarHBondContact O-N 3.46Å; Q201-R205 VanDerWaalsContact O-N 3.07Å; A202-R205 WeakPolarHBondContact O-CB 3.26Å; A202-R205 PolarHBondContact O-N 2.94Å; S203-R205 VanDerWaalsContact C-N 3.32Å; S203-R205 PolarHBondContact O-N 2.91Å; R205-R208 PolarHBondContact O-N 3.13Å; R205-A209 WeakPolarHBondContact O-CB 3.29Å; R205-A209 PolarHBondContact O-N 3.47Å
206E97.2Very high97Very high80 Ų8043.6 Ų43.637%0.37423%0.232SC..Hα-helixtrans-65.5-47.8178.3-164.559.6-151.300111.5I154 A202 S203 V204 R208 A209 C210I154-E206 HydrophobicContact CG2-CB 4.15Å; I154-E206 HydrophobicContact CG2-CG 3.93Å; A202-E206 PolarHBondContact O-N 3.27Å; S203-E206 PolarHBondContact O-N 2.9Å; V204-E206 VanDerWaalsContact C-N 3.33Å; E206-R208 VanDerWaalsContact C-N 3.27Å; E206-R208 PolarHBondContact O-N 3.47Å; E206-A209 WeakPolarHBondContact O-CB 3.25Å; E206-A209 PolarHBondContact O-N 3.23Å; E206-C210 PolarHBondContact O-N 3.09Å; E206-C210 VanDerWaalsContact O-N 3.07Å; E206-C210 PolarHBondContact O-SG 3.31Å; E206-C210 VanDerWaalsContact O-SG 3.37Å
207L97.7Very high97.1Very high0 Ų040.1 Ų40.10%022%0.217CC..Hα-helixtrans-55.4-43.4175.8-177.466.9000112.1T10 I154 H182 S203 C210 G211 L212 P214T10-L207 HydrophobicContact CG2-CD1 4.44Å; I154-L207 HydrophobicContact CD1-CD1 3.79Å; I154-L207 HydrophobicContact CG1-CD1 4Å; I154-L207 HydrophobicContact CG2-CB 4.22Å; I154-L207 HydrophobicContact CG2-CD1 4.45Å; H182-L207 HydrophobicContact CB-CD2 3.9Å; S203-L207 PolarHBondContact O-N 2.98Å; L207-C210 PolarHBondContact O-N 3.29Å; L207-G211 PolarHBondContact O-N 3.1Å; L207-L212 CarbonylContact C-O 3.51Å; L207-L212 VanDerWaalsContact C-O 3.27Å; L207-L212 HydrophobicContact CD1-CB 3.73Å; L207-L212 HydrophobicContact CD1-CD1 4.04Å; L207-L212 HydrophobicContact CG-CB 3.97Å; L207-L212 PolarHBondContact O-N 3.37Å; L207-L212 VanDerWaalsContact O-O 3.07Å; L207-P214 HydrophobicContact CD2-CB 4.34Å; L207-P214 HydrophobicContact CD2-CG 4.47Å
208R97.3Very high97.2Very high73 Ų7339.9 Ų39.928%0.27522%0.215SC..Hα-helixtrans-68.1-35.2176-73.8-172.9-62.2169.9-5.1113.1V204 R205 E206 C210 G211 L212V204-R208 HydrophobicContact CG1-CG 4.44Å; V204-R208 WeakPolarHBondContact O-CB 3.46Å; V204-R208 WeakPolarHBondContact O-CG 3.27Å; V204-R208 PolarHBondContact O-N 3.07Å; V204-R208 PolarHBondContact O-NE 3.38Å; R205-R208 PolarHBondContact O-N 3.13Å; E206-R208 VanDerWaalsContact C-N 3.27Å; E206-R208 PolarHBondContact O-N 3.47Å; R208-C210 PolarHBondContact O-N 2.94Å; R208-G211 WeakPolarHBondContact O-CA 3.47Å; R208-G211 PolarHBondContact O-N 3.31Å; R208-L212 WeakPolarHBondContact CA-O 3.44Å; R208-L212 PolarHBondContact N-O 3.11Å
209A96.8Very high97.2Very high78 Ų7833.7 Ų33.765%0.64519%0.188SC*.Hα-helixtrans-62.5-32.9174.300000111.5R205 E206 G211R205-A209 WeakPolarHBondContact O-CB 3.29Å; R205-A209 PolarHBondContact O-N 3.47Å; E206-A209 WeakPolarHBondContact O-CB 3.25Å; E206-A209 PolarHBondContact O-N 3.23Å; A209-G211 PolarHBondContact O-N 3.22Å
210C95.3Very high97.3Very high40 Ų4033.9 Ų33.927%0.2718%0.184SC..THydrogen-bonded Turntrans-77.4-0.6171.7-53.40000114.2V163 R167 E206 L207 R208V163-C210 HydrophobicContact CG1-CB 3.41Å; V163-C210 VanDerWaalsContact CG1-CB 3.41Å; R167-C210 WeakPolarHBondContact CD-O 3.26Å; E206-C210 PolarHBondContact O-N 3.09Å; E206-C210 VanDerWaalsContact O-N 3.07Å; E206-C210 PolarHBondContact O-SG 3.31Å; E206-C210 VanDerWaalsContact O-SG 3.37Å; L207-C210 PolarHBondContact O-N 3.29Å; R208-C210 PolarHBondContact O-N 2.94Å
211G95.6Very high97.1Very high37 Ų3734 Ų3438%0.38119%0.185SC..THydrogen-bonded Turntrans87.611.1176.400000115.8L207 R208 A209L207-G211 PolarHBondContact O-N 3.1Å; R208-G211 WeakPolarHBondContact O-CA 3.47Å; R208-G211 PolarHBondContact O-N 3.31Å; A209-G211 PolarHBondContact O-N 3.22Å
212L96.9Very high97Very high3 Ų336.1 Ų36.12%0.01620%0.203CC..  trans-105.1136.1171.5-67.8178.2000110.4L8 V163 F166 R167 L170 L207 R208L8-L212 HydrophobicContact CD2-CD1 3.87Å; V163-L212 HydrophobicContact CG1-CD1 3.93Å; F166-L212 HydrophobicContact CB-CD1 4.34Å; R167-L212 HydrophobicContact CB-CD2 4.33Å; L170-L212 HydrophobicContact CD2-CD2 4.43Å; L207-L212 CarbonylContact C-O 3.51Å; L207-L212 VanDerWaalsContact C-O 3.27Å; L207-L212 HydrophobicContact CD1-CB 3.73Å; L207-L212 HydrophobicContact CD1-CD1 4.04Å; L207-L212 HydrophobicContact CG-CB 3.97Å; L207-L212 PolarHBondContact O-N 3.37Å; L207-L212 VanDerWaalsContact O-O 3.07Å; R208-L212 WeakPolarHBondContact CA-O 3.44Å; R208-L212 PolarHBondContact N-O 3.11Å
213H96Very high96.7Very high74 Ų7435.6 Ų35.634%0.34320%0.196SC..  trans-109.1132173.4-166.7-77.6000109.1C180 D215 Q238C180-H213 WeakPolarHBondContact CB-O 3.47Å; H213-D215 PolarHBondContact O-N 2.76Å; H213-Q238 PolarHBondContact CE1-O 2.71Å
214P97.6Very high96.6Very high2 Ų239.7 Ų39.71%0.01322%0.222CC..  trans-66.8124.3174.526.7-31.3000110.3C180 H182 V204 L207 V239C180-P214 CarbonylContact O-C 3.51Å; C180-P214 WeakPolarHBondContact O-CA 3.05Å; H182-P214 HydrophobicContact CB-CB 3.88Å; V204-P214 HydrophobicContact CG1-CG 3.92Å; V204-P214 HydrophobicContact CG2-CG 4.43Å; L207-P214 HydrophobicContact CD2-CB 4.34Å; L207-P214 HydrophobicContact CD2-CG 4.47Å; P214-V239 HydrophobicContact CB-CG2 4.35Å; P214-V239 HydrophobicContact CG-CG2 3.75Å
215D97.6Very high96.5Very high40 Ų4040.5 Ų40.521%0.21423%0.227CC..SBendtrans-82-27.8169.1-64.6-63.8000111.2C179 C180 H213 R243 H272C179-D215 WeakPolarHBondContact CA-OD2 3.37Å; C180-D215 PolarHBondContact N-OD2 2.97Å; C180-D215 PolarHBondContact O-N 3.03Å; H213-D215 PolarHBondContact O-N 2.76Å; D215-R243 VanDerWaalsContact O-CD 3.28Å; D215-R243 WeakPolarHBondContact O-CD 3.31Å; D215-R243 PolarHBondContact O-NH1 3.38Å; D215-H272 IonicContact OD1-CE1 3.46Å; D215-H272 PolarHBondContact OD1-CE1 2.89Å; D215-H272 IonicContact OD2-CE1 2.77Å
216L97.7Very high96.4Very high1 Ų136 Ų361%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-136.9136.8171.3-65.6170.3000109.9C180 V181 H182 R243 L265 I268 L269C180-L216 PolarHBondContact O-N 3.22Å; V181-L216 WeakPolarHBondContact CA-O 3.47Å; V181-L216 HydrophobicContact CG1-CB 4.46Å; V181-L216 HydrophobicContact CG2-CB 4.2Å; V181-L216 HydrophobicContact CG2-CD1 4.13Å; H182-L216 PolarHBondContact N-O 3.14Å; L216-R243 HydrophobicContact CD2-CB 3.87Å; L216-R243 HydrophobicContact CD2-CG 3.85Å; L216-L265 HydrophobicContact CD1-CD1 3.78Å; L216-I268 HydrophobicContact CD2-CG2 3.53Å; L216-L269 HydrophobicContact CD1-CD2 3.6Å; L216-L269 HydrophobicContact CD1-CG 4.22Å
217L98.2Very high96.3Very high0 Ų036.4 Ų36.40%023%0.23CC..EExtended strand (participates in β ladder)trans-115.2108.7177.6-176.561.3000109.7H182 T200 V204 I233 V239 R243 I245H182-L217 HydrophobicContact CB-CD1 4.16Å; T200-L217 HydrophobicContact CG2-CD1 4.22Å; T200-L217 HydrophobicContact CG2-CD2 3.92Å; T200-L217 HydrophobicContact CG2-CG 4.47Å; V204-L217 HydrophobicContact CG2-CD1 3.87Å; V204-L217 HydrophobicContact CG2-CD2 4.29Å; L217-I233 HydrophobicContact CD2-CG2 3.35Å; L217-V239 HydrophobicContact CB-CG1 4.39Å; L217-V239 HydrophobicContact CB-CG2 4.49Å; L217-R243 PolarHBondContact N-O 2.77Å; L217-I245 PolarHBondContact O-N 3.48Å
218M97.9Very high96.3Very high0 Ų040.2 Ų40.20%026%0.256CS..EExtended strand (participates in β ladder)trans-89.5107.9177.9-62.4-74.6177.600108.9I22 I26 V181 H182 V183 S184 I245 L260 L265I22-M218 HydrophobicContact CG2-CE 4.42Å; I22-M218 HydrophobicContact CG2-CG 4.07Å; I22-M218 HydrophobicContact CG2-SD 4.42Å; I26-M218 HydrophobicContact CD1-CE 4.39Å; V181-M218 HydrophobicContact CG1-CE 4.08Å; V181-M218 HydrophobicContact CG1-CG 3.59Å; H182-M218 PolarHBondContact O-N 3.21Å; V183-M218 WeakPolarHBondContact CA-O 3.36Å; V183-M218 HydrophobicContact CB-CB 4.38Å; V183-M218 HydrophobicContact CG1-CB 4.3Å; V183-M218 HydrophobicContact CG2-CB 4.09Å; V183-M218 HydrophobicContact CG2-CG 4.44Å; S184-M218 PolarHBondContact N-O 3.25Å; M218-I245 HydrophobicContact CE-CB 4.32Å; M218-I245 HydrophobicContact CE-CG1 4.27Å; M218-I245 HydrophobicContact CE-CG2 4.41Å; M218-I245 HydrophobicContact SD-CB 3.6Å; M218-I245 VanDerWaalsContact SD-CB 3.6Å; M218-I245 HydrophobicContact SD-CG1 4.18Å; M218-I245 HydrophobicContact SD-CG2 3.69Å; M218-L260 HydrophobicContact SD-CD2 4.23Å; M218-L265 HydrophobicContact CE-CD1 3.65Å; M218-L265 HydrophobicContact CE-CD2 3.87Å; M218-L265 HydrophobicContact CE-CG 4.45Å
219C97.8Very high96.3Very high0 Ų037.5 Ų37.50%025%0.248CC..EExtended strand (participates in β ladder)trans-93.6101.7-179.7-67.80000110V186 L225 I245 S247V186-C219 HydrophobicContact CG2-CB 3.81Å; C219-L225 HydrophobicContact CB-CD1 4.14Å; C219-I245 PolarHBondContact N-O 3.01Å; C219-S247 PolarHBondContact O-N 3.18Å
220R97.3Very high96.3Very high42 Ų4235.3 Ų35.316%0.15823%0.225CC..EExtended strand (participates in β ladder)trans-73.3125.7172.5-174.166.5-177.3-163.2-6.2110.1I17 S184 L185 V186 S247 L248 D249I17-R220 HydrophobicContact CD1-CB 4.26Å; I17-R220 HydrophobicContact CG1-CB 3.92Å; I17-R220 HydrophobicContact CG1-CG 4.22Å; S184-R220 PolarHBondContact O-N 3.37Å; L185-R220 HydrophobicContact CD1-CB 4.41Å; L185-R220 HydrophobicContact CD1-CG 4.41Å; V186-R220 PolarHBondContact N-O 3.34Å; R220-S247 VanDerWaalsContact CA-O 3.31Å; R220-S247 WeakPolarHBondContact CA-O 3.45Å; R220-S247 WeakPolarHBondContact CD-O 3.23Å; R220-S247 PolarHBondContact NH1-OG 2.98Å; R220-L248 PolarHBondContact NH1-O 3.47Å; R220-D249 IonicContact CZ-OD1 3.18Å; R220-D249 IonicContact NE-OD1 2.89Å; R220-D249 PolarHBondContact NE-OD1 3.06Å; R220-D249 IonicContact NH2-OD1 3.91Å; R220-D249 PolarHBondContact NH2-OD1 3.36Å
221C95.4Very high96.4Very high5 Ų537.4 Ų37.43%0.03423%0.234CC..EExtended strand (participates in β ladder)trans-152.1155.7179.855.50000112.8V186 S223 L225 V246 S247 L248 D249V186-C221 HydrophobicContact CB-CB 4.29Å; C221-S223 PolarHBondContact SG-O 3.01Å; C221-L225 HydrophobicContact CB-CD2 4.05Å; C221-L225 HydrophobicContact CB-CG 4.42Å; C221-V246 WeakPolarHBondContact SG-CG1 3.46Å; C221-S247 PolarHBondContact N-O 2.89Å; C221-L248 CarbonylContact O-C 3.59Å; C221-L248 WeakPolarHBondContact O-CA 3.48Å; C221-D249 PolarHBondContact O-N 3.36Å
222S93.8Very high96.5Very high69 Ų6940.2 Ų40.248%0.48324%0.235SC..SBendtrans-82.1-17.8-179.555.30000113.9D249S222-D249 WeakPolarHBondContact CA-OD2 3.3Å; S222-D249 WeakPolarHBondContact CB-OD2 3.34Å
223S92.7Very high96.6Very high32 Ų3240.2 Ų40.222%0.22424%0.235CC..SBendtrans-140.9157.7-179.370.70000111.5Q188 C221 L225 L248Q188-S223 PolarHBondContact OE1-OG 3.47Å; C221-S223 PolarHBondContact SG-O 3.01Å; S223-L225 PolarHBondContact O-N 2.67Å; S223-L248 VanDerWaalsContact O-CD2 3.23Å; S223-L248 WeakPolarHBondContact O-CD2 3.36Å
224P93.8Very high96.7Very high97 Ų9737.5 Ų37.563%0.6323%0.225SC*.PPolyproline II helixtrans-54.2133.8175.2-26.535.5000112.3L248P224-L248 HydrophobicContact CG-CD1 4.18Å; P224-L248 HydrophobicContact CG-CD2 4.46Å
225L95.5Very high96.7Very high17 Ų1743.6 Ų43.69%0.08926%0.256CS..PPolyproline II helixtrans-85.2128.7179-60.5-176.5000110.6V186 P195 C219 C221 S223 V229 I230 I233 V246V186-L225 HydrophobicContact CB-CD1 4.45Å; V186-L225 HydrophobicContact CG1-CD1 4.32Å; V186-L225 HydrophobicContact CG1-CD2 3.94Å; V186-L225 HydrophobicContact CG2-CD1 4.29Å; P195-L225 HydrophobicContact CB-CD2 3.78Å; P195-L225 HydrophobicContact CG-CD2 4.06Å; C219-L225 HydrophobicContact CB-CD1 4.14Å; C221-L225 HydrophobicContact CB-CD2 4.05Å; C221-L225 HydrophobicContact CB-CG 4.42Å; S223-L225 PolarHBondContact O-N 2.67Å; L225-V229 HydrophobicContact CB-CG1 4.45Å; L225-V229 HydrophobicContact CD1-CG1 4.47Å; L225-V229 HydrophobicContact CD2-CG1 4.35Å; L225-I230 HydrophobicContact CB-CD1 4.42Å; L225-I230 HydrophobicContact CB-CG1 4.02Å; L225-I233 HydrophobicContact CD1-CD1 4.23Å; L225-V246 HydrophobicContact CB-CG2 4.41Å; L225-V246 HydrophobicContact CD1-CG2 4.28Å; L225-V246 HydrophobicContact CG-CG1 4.29Å; L225-V246 HydrophobicContact CG-CG2 4.49Å
226P95.5Very high96.6Very high65 Ų6546.1 Ų46.142%0.42227%0.266SS..PPolyproline II helixtrans-59.1149.9171-23.232.8000111.9S228 V229 I230P226-S228 PolarHBondContact O-N 2.89Å; P226-S228 VanDerWaalsContact O-N 3.13Å; P226-V229 HydrophobicContact CB-CG2 4.28Å; P226-V229 HydrophobicContact CG-CG2 4.19Å; P226-V229 WeakPolarHBondContact O-CA 3.32Å; P226-V229 WeakPolarHBondContact O-CB 3.41Å; P226-V229 PolarHBondContact O-N 3.46Å; P226-I230 PolarHBondContact O-N 2.83Å; P226-I230 VanDerWaalsContact O-N 3.13Å
227S96.4Very high96.6Very high89 Ų8946.2 Ų46.262%0.62227%0.266SS*.Hα-helixtrans-55.6-33.7177.857.30000113V229 I230 N231S227-V229 VanDerWaalsContact C-N 3.31Å; S227-V229 PolarHBondContact O-N 2.92Å; S227-I230 PolarHBondContact O-N 3.19Å; S227-N231 WeakPolarHBondContact O-CB 3.49Å; S227-N231 PolarHBondContact O-N 3.12Å; S227-N231 PolarHBondContact O-ND2 3.18Å
228S96.8Very high96.5Very high80 Ų8052.6 Ų52.656%0.55930%0.296SS*.Hα-helixtrans-62.1-35.7174.460.60000113.1P226 K232P226-S228 PolarHBondContact O-N 2.89Å; P226-S228 VanDerWaalsContact O-N 3.13Å; S228-K232 VanDerWaalsContact O-CB 3.26Å; S228-K232 WeakPolarHBondContact O-CB 3.37Å; S228-K232 PolarHBondContact O-N 3.15Å
229V97.2Very high96.4Very high17 Ų1752.9 Ų52.910%0.10330%0.298CS..Hα-helixtrans-72.4-43.3176.4178.20000110.2P195 T197 L225 P226 S227 K232 I233P195-V229 HydrophobicContact CB-CG1 4.21Å; P195-V229 HydrophobicContact CB-CG2 4.48Å; P195-V229 HydrophobicContact CG-CG2 4.32Å; T197-V229 HydrophobicContact CG2-CG1 3.46Å; T197-V229 VanDerWaalsContact CG2-CG1 3.46Å; L225-V229 HydrophobicContact CB-CG1 4.45Å; L225-V229 HydrophobicContact CD1-CG1 4.47Å; L225-V229 HydrophobicContact CD2-CG1 4.35Å; P226-V229 HydrophobicContact CB-CG2 4.28Å; P226-V229 HydrophobicContact CG-CG2 4.19Å; P226-V229 WeakPolarHBondContact O-CA 3.32Å; P226-V229 WeakPolarHBondContact O-CB 3.41Å; P226-V229 PolarHBondContact O-N 3.46Å; S227-V229 VanDerWaalsContact C-N 3.31Å; S227-V229 PolarHBondContact O-N 2.92Å; V229-K232 WeakPolarHBondContact O-CB 3.33Å; V229-K232 PolarHBondContact O-N 3.45Å; V229-I233 HydrophobicContact CG1-CD1 4.19Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.47Å
230I97.6Very high96.3Very high32 Ų3255.1 Ų55.116%0.16432%0.317CS..Hα-helixtrans-61.5-48.5176.2-60.8174.6000110.4L225 P226 S227 K232 I233 S234 V241 V244 V246L225-I230 HydrophobicContact CB-CD1 4.42Å; L225-I230 HydrophobicContact CB-CG1 4.02Å; P226-I230 PolarHBondContact O-N 2.83Å; P226-I230 VanDerWaalsContact O-N 3.13Å; S227-I230 PolarHBondContact O-N 3.19Å; I230-K232 VanDerWaalsContact C-N 3.27Å; I230-K232 PolarHBondContact O-N 3.43Å; I230-I233 PolarHBondContact O-N 3.26Å; I230-I233 VanDerWaalsContact O-N 3.1Å; I230-S234 WeakPolarHBondContact O-CB 3.48Å; I230-S234 PolarHBondContact O-N 3Å; I230-V241 HydrophobicContact CG2-CG1 4.05Å; I230-V244 HydrophobicContact CG2-CB 4.05Å; I230-V244 HydrophobicContact CG2-CG1 4.06Å; I230-V246 HydrophobicContact CD1-CG2 4.06Å; I230-V246 HydrophobicContact CG1-CG2 4.5Å
231N97.8Very high96.4Very high83 Ų8355.9 Ų55.944%0.44433%0.326SS..Hα-helixtrans-59.2-38.8175.7-72.1-24.8000112S227 S234 L235S227-N231 WeakPolarHBondContact O-CB 3.49Å; S227-N231 PolarHBondContact O-N 3.12Å; S227-N231 PolarHBondContact O-ND2 3.18Å; N231-S234 PolarHBondContact O-N 3.02Å; N231-L235 WeakPolarHBondContact O-CB 3.15Å; N231-L235 PolarHBondContact O-N 2.97Å
232K97.8Very high96.4Very high97 Ų9762.2 Ų62.242%0.42236%0.355SS..Hα-helixtrans-64.3-46174.5-173.9174.3-176.6172.90111.2S228 V229 I230 L235 F236S228-K232 VanDerWaalsContact O-CB 3.26Å; S228-K232 WeakPolarHBondContact O-CB 3.37Å; S228-K232 PolarHBondContact O-N 3.15Å; V229-K232 WeakPolarHBondContact O-CB 3.33Å; V229-K232 PolarHBondContact O-N 3.45Å; I230-K232 VanDerWaalsContact C-N 3.27Å; I230-K232 PolarHBondContact O-N 3.43Å; K232-L235 PolarHBondContact O-N 2.92Å; K232-F236 HydrophobicContact CD-CE2 4.46Å; K232-F236 HydrophobicContact CG-CD2 3.68Å; K232-F236 HydrophobicContact CG-CE2 3.7Å; K232-F236 WeakPolarHBondContact O-CD2 3.31Å; K232-F236 PolarHBondContact O-N 3.39Å; K232-F236 VanDerWaalsContact O-N 3.1Å
233I97.7Very high96.6Very high2 Ų261.3 Ų61.31%0.0134%0.341CS..Hα-helixtrans-59.4-51176.1-69.1169.2000109.6V186 T197 T200 L217 L225 V229 I230 L235 F236 S237 V244V186-I233 HydrophobicContact CG2-CD1 3.95Å; T197-I233 HydrophobicContact CG2-CD1 3.86Å; T197-I233 HydrophobicContact CG2-CG1 3.52Å; T200-I233 HydrophobicContact CG2-CG2 4.41Å; L217-I233 HydrophobicContact CD2-CG2 3.35Å; L225-I233 HydrophobicContact CD1-CD1 4.23Å; V229-I233 HydrophobicContact CG1-CD1 4.19Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.47Å; I230-I233 PolarHBondContact O-N 3.26Å; I230-I233 VanDerWaalsContact O-N 3.1Å; I233-L235 PolarHBondContact O-N 3.03Å; I233-F236 PolarHBondContact O-N 3.01Å; I233-S237 VanDerWaalsContact O-CB 3.23Å; I233-S237 WeakPolarHBondContact O-CB 3.44Å; I233-S237 PolarHBondContact O-N 2.98Å; I233-S237 PolarHBondContact O-OG 2.82Å; I233-V244 HydrophobicContact CB-CG1 4.36Å; I233-V244 HydrophobicContact CG2-CG1 3.89Å; I233-V244 HydrophobicContact CG2-CG2 4.18Å
234S97.8Very high96.8Very high18 Ų1860.1 Ų60.113%0.12633%0.332CS..Hα-helixtrans-51.3-53.4177.2169.60000111.9I230 N231 F236 S237 Q238 V239 V241I230-S234 WeakPolarHBondContact O-CB 3.48Å; I230-S234 PolarHBondContact O-N 3Å; N231-S234 PolarHBondContact O-N 3.02Å; S234-F236 PolarHBondContact O-N 3.34Å; S234-S237 PolarHBondContact O-N 2.86Å; S234-S237 PolarHBondContact O-OG 3.39Å; S234-Q238 WeakPolarHBondContact O-CA 3.31Å; S234-Q238 PolarHBondContact O-N 3.22Å; S234-V239 VanDerWaalsContact CA-O 3.23Å; S234-V239 WeakPolarHBondContact CA-O 3.37Å; S234-V239 WeakPolarHBondContact CB-O 3.26Å; S234-V239 PolarHBondContact O-N 3.13Å; S234-V239 PolarHBondContact OG-O 3.19Å; S234-V241 WeakPolarHBondContact OG-CG2 3.29Å
235L97.6Very high97Very high129 Ų12955.7 Ų55.768%0.67530%0.303SS*.Hα-helixtrans-58.5-47.6-180-179.465.4000113.2N231 K232 I233N231-L235 WeakPolarHBondContact O-CB 3.15Å; N231-L235 PolarHBondContact O-N 2.97Å; K232-L235 PolarHBondContact O-N 2.92Å; I233-L235 PolarHBondContact O-N 3.03Å
236F97.2Very high97.1Very high94 Ų9455.7 Ų55.741%0.41230%0.304SS..Hα-helixtrans-80.1-29.6-175.1-77-71.3000113.6Q201 K232 I233 S234Q201-F236 HydrophobicContact CG-CB 3.72Å; Q201-F236 HydrophobicContact CG-CG 4.29Å; K232-F236 HydrophobicContact CD-CE2 4.46Å; K232-F236 HydrophobicContact CG-CD2 3.68Å; K232-F236 HydrophobicContact CG-CE2 3.7Å; K232-F236 WeakPolarHBondContact O-CD2 3.31Å; K232-F236 PolarHBondContact O-N 3.39Å; K232-F236 VanDerWaalsContact O-N 3.1Å; I233-F236 PolarHBondContact O-N 3.01Å; S234-F236 PolarHBondContact O-N 3.34Å
237S96.2Very high97.1Very high2 Ų252.9 Ų52.91%0.01429%0.285CS..Hα-helixtrans-85.4-16176.863.20000113.1I233 S234 V239I233-S237 VanDerWaalsContact O-CB 3.23Å; I233-S237 WeakPolarHBondContact O-CB 3.44Å; I233-S237 PolarHBondContact O-N 2.98Å; I233-S237 PolarHBondContact O-OG 2.82Å; S234-S237 PolarHBondContact O-N 2.86Å; S234-S237 PolarHBondContact O-OG 3.39Å; S237-V239 VanDerWaalsContact C-N 3.25Å
238Q96.1Very high97.1Very high134 Ų13450.3 Ų50.363%0.62627%0.265SS*.THydrogen-bonded Turntrans60.933.7-173-60.2175-17.600112.9H213 S234H213-Q238 PolarHBondContact CE1-O 2.71Å; S234-Q238 WeakPolarHBondContact O-CA 3.31Å; S234-Q238 PolarHBondContact O-N 3.22Å
239V96.4Very high97Very high7 Ų750.5 Ų50.54%0.04226%0.259CS..  trans-106.5137.1174.2179.20000108.5P214 L217 S234 S237 R243 V244P214-V239 HydrophobicContact CB-CG2 4.35Å; P214-V239 HydrophobicContact CG-CG2 3.75Å; L217-V239 HydrophobicContact CB-CG1 4.39Å; L217-V239 HydrophobicContact CB-CG2 4.49Å; S234-V239 VanDerWaalsContact CA-O 3.23Å; S234-V239 WeakPolarHBondContact CA-O 3.37Å; S234-V239 WeakPolarHBondContact CB-O 3.26Å; S234-V239 PolarHBondContact O-N 3.13Å; S234-V239 PolarHBondContact OG-O 3.19Å; S237-V239 VanDerWaalsContact C-N 3.25Å; V239-R243 HydrophobicContact CG1-CB 3.55Å; V239-V244 HydrophobicContact CB-CG2 4.37Å; V239-V244 HydrophobicContact CG1-CG2 4.17Å
240A96.9Very high96.7Very high47 Ų4750.9 Ų50.939%0.38826%0.262SS..  trans-57.1148.6176.700000111.3E242 R243 V244A240-E242 PolarHBondContact O-N 2.84Å; A240-R243 HydrophobicContact CB-CB 4.42Å; A240-R243 HydrophobicContact CB-CG 4.41Å; A240-R243 WeakPolarHBondContact O-CA 3.37Å; A240-R243 PolarHBondContact O-N 3.07Å; A240-V244 PolarHBondContact O-N 3.05Å
241V97.4Very high96.3Very high57 Ų5754.2 Ų54.235%0.34529%0.288SS..G310 helixtrans-58.8-39.3-174.41750000111I230 S234 R243 V244I230-V241 HydrophobicContact CG2-CG1 4.05Å; S234-V241 WeakPolarHBondContact OG-CG2 3.29Å; V241-R243 PolarHBondContact O-N 3.14Å; V241-V244 PolarHBondContact O-N 3.15Å
242E96.4Very high96Very high138 Ų13850.5 Ų50.565%0.64527%0.268SS*.G310 helixtrans-68.4-18.8179.5-51.374.9-157.900112.6A240 I268A240-E242 PolarHBondContact O-N 2.84Å; E242-I268 VanDerWaalsContact O-CD1 3.26Å; E242-I268 WeakPolarHBondContact O-CD1 3.21Å
243R97.5Very high95.7Very high51 Ų5148 Ų4819%0.19226%0.259CS..G310 helixtrans-97.72.8179.8-69.8176.2168.6-114.66112.9D215 L216 L217 V239 A240 V241 I268 H272D215-R243 VanDerWaalsContact O-CD 3.28Å; D215-R243 WeakPolarHBondContact O-CD 3.31Å; D215-R243 PolarHBondContact O-NH1 3.38Å; L216-R243 HydrophobicContact CD2-CB 3.87Å; L216-R243 HydrophobicContact CD2-CG 3.85Å; L217-R243 PolarHBondContact N-O 2.77Å; V239-R243 HydrophobicContact CG1-CB 3.55Å; A240-R243 HydrophobicContact CB-CB 4.42Å; A240-R243 HydrophobicContact CB-CG 4.41Å; A240-R243 WeakPolarHBondContact O-CA 3.37Å; A240-R243 PolarHBondContact O-N 3.07Å; V241-R243 PolarHBondContact O-N 3.14Å; R243-I268 HydrophobicContact CG-CG2 4.06Å; R243-H272 PolarHBondContact NH1-ND1 2.98Å
244V97.9Very high95.4Very high7 Ų748 Ų484%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-95.399.4169.1-177.90000108.6I230 I233 V239 A240 V241I230-V244 HydrophobicContact CG2-CB 4.05Å; I230-V244 HydrophobicContact CG2-CG1 4.06Å; I233-V244 HydrophobicContact CB-CG1 4.36Å; I233-V244 HydrophobicContact CG2-CG1 3.89Å; I233-V244 HydrophobicContact CG2-CG2 4.18Å; V239-V244 HydrophobicContact CB-CG2 4.37Å; V239-V244 HydrophobicContact CG1-CG2 4.17Å; A240-V244 PolarHBondContact O-N 3.05Å; V241-V244 PolarHBondContact O-N 3.15Å
245I97.8Very high95.3Very high3 Ų348.2 Ų48.22%0.01526%0.258CS..EExtended strand (participates in β ladder)trans-97130.3-174.3-52.7-59.8000109.8L217 M218 C219 L260 Q263 I268L217-I245 PolarHBondContact O-N 3.48Å; M218-I245 HydrophobicContact CE-CB 4.32Å; M218-I245 HydrophobicContact CE-CG1 4.27Å; M218-I245 HydrophobicContact CE-CG2 4.41Å; M218-I245 HydrophobicContact SD-CB 3.6Å; M218-I245 VanDerWaalsContact SD-CB 3.6Å; M218-I245 HydrophobicContact SD-CG1 4.18Å; M218-I245 HydrophobicContact SD-CG2 3.69Å; C219-I245 PolarHBondContact N-O 3.01Å; I245-L260 HydrophobicContact CG2-CD2 3.64Å; I245-Q263 HydrophobicContact CD1-CB 4.39Å; I245-Q263 HydrophobicContact CG2-CB 4.36Å; I245-I268 HydrophobicContact CD1-CD1 3.97Å
246V97.3Very high95.2Very high18 Ų1842.2 Ų42.211%0.10923%0.227CC..EExtended strand (participates in β ladder)trans-89116.2179.7-175.70000109.3C221 L225 I230 L248 Q263C221-V246 WeakPolarHBondContact SG-CG1 3.46Å; L225-V246 HydrophobicContact CB-CG2 4.41Å; L225-V246 HydrophobicContact CD1-CG2 4.28Å; L225-V246 HydrophobicContact CG-CG1 4.29Å; L225-V246 HydrophobicContact CG-CG2 4.49Å; I230-V246 HydrophobicContact CD1-CG2 4.06Å; I230-V246 HydrophobicContact CG1-CG2 4.5Å; V246-L248 HydrophobicContact CG1-CD2 3.96Å; V246-L248 HydrophobicContact CG1-CG 4.04Å; V246-Q263 PolarHBondContact O-NE2 3.04Å
247S96Very high95.1Very high5 Ų537.8 Ų37.84%0.03521%0.207CC..EExtended strand (participates in β ladder)trans-101.4103172.3-176.90000108.8C219 R220 C221C219-S247 PolarHBondContact O-N 3.18Å; R220-S247 VanDerWaalsContact CA-O 3.31Å; R220-S247 WeakPolarHBondContact CA-O 3.45Å; R220-S247 WeakPolarHBondContact CD-O 3.23Å; R220-S247 PolarHBondContact NH1-OG 2.98Å; C221-S247 PolarHBondContact N-O 2.89Å
248L95.2Very high95.1Very high36 Ų3638.5 Ų38.519%0.18821%0.211CC..EExtended strand (participates in β ladder)trans-80.8150.7179.5-67.9172000111.9R220 C221 S223 P224 V246 V250R220-L248 PolarHBondContact NH1-O 3.47Å; C221-L248 CarbonylContact O-C 3.59Å; C221-L248 WeakPolarHBondContact O-CA 3.48Å; S223-L248 VanDerWaalsContact O-CD2 3.23Å; S223-L248 WeakPolarHBondContact O-CD2 3.36Å; P224-L248 HydrophobicContact CG-CD1 4.18Å; P224-L248 HydrophobicContact CG-CD2 4.46Å; V246-L248 HydrophobicContact CG1-CD2 3.96Å; V246-L248 HydrophobicContact CG1-CG 4.04Å; L248-V250 PolarHBondContact O-N 3.08Å
249D94.6Very high95Very high83 Ų8336.7 Ų36.744%0.44420%0.198SC..  trans-58.6132.8159.7-69-25.8000109.5R220 C221 S222R220-D249 IonicContact CZ-OD1 3.18Å; R220-D249 IonicContact NE-OD1 2.89Å; R220-D249 PolarHBondContact NE-OD1 3.06Å; R220-D249 IonicContact NH2-OD1 3.91Å; R220-D249 PolarHBondContact NH2-OD1 3.36Å; C221-D249 PolarHBondContact O-N 3.36Å; S222-D249 WeakPolarHBondContact CA-OD2 3.3Å; S222-D249 WeakPolarHBondContact CB-OD2 3.34Å
250V92.7Very high95.1Very high26 Ų2636.5 Ų36.516%0.15820%0.197CC..  trans-128.2151.5-177.3-68.90000109.1L248 D252 E255 V256L248-V250 PolarHBondContact O-N 3.08Å; V250-D252 VanDerWaalsContact C-N 3.26Å; V250-D252 WeakPolarHBondContact CG2-O 3Å; V250-E255 HydrophobicContact CB-CB 4.34Å; V250-E255 HydrophobicContact CG1-CB 4.21Å; V250-V256 HydrophobicContact CG2-CG2 3.62Å
251S88.8Confident95Very high101 Ų10135.3 Ų35.371%0.70618%0.184SC*.SBendtrans-67.8-31.1175.759.70000111.5E255S251-E255 PolarHBondContact OG-OE1 2.94Å; S251-E255 VanDerWaalsContact OG-OE1 3.12Å
252D90Very high94.9Very high6 Ų637.9 Ų37.93%0.03220%0.196CC..SBendtrans-135137.1176.4-169.7-96.6000113.4V250 Y254 E255 M296 R326V250-D252 VanDerWaalsContact C-N 3.26Å; V250-D252 WeakPolarHBondContact CG2-O 3Å; D252-Y254 PolarHBondContact O-N 2.69Å; D252-Y254 WeakPolarHBondContact OD1-CA 3.44Å; D252-Y254 WeakPolarHBondContact OD1-CB 3.45Å; D252-Y254 WeakPolarHBondContact OD1-CD2 3.39Å; D252-Y254 VanDerWaalsContact OD1-CG 3.25Å; D252-Y254 PolarHBondContact OD1-N 2.8Å; D252-E255 WeakPolarHBondContact O-CB 3.47Å; D252-E255 PolarHBondContact O-N 2.89Å; D252-E255 VanDerWaalsContact O-N 3.16Å; D252-M296 HydrophobicContact CB-CE 3.74Å; D252-M296 WeakPolarHBondContact OD2-CE 3.27Å; D252-R326 IonicContact OD2-CZ 2.78Å; D252-R326 IonicContact OD2-NE 2.71Å; D252-R326 PolarHBondContact OD2-NE 3.4Å; D252-R326 IonicContact OD2-NH1 2.72Å; D252-R326 IonicContact OD2-NH2 3.38Å; D252-R326 PolarHBondContact OD2-NH2 3.3Å
253L92.6Very high94.9Very high45 Ų4534.2 Ų34.224%0.23618%0.179CC..G310 helixtrans-67.2-21.4-176.7-56.6-178.9000113.3I21 F80 E255 V256 K323I21-L253 HydrophobicContact CD1-CD1 3.65Å; I21-L253 HydrophobicContact CG1-CD1 4.13Å; I21-L253 HydrophobicContact CG1-CD2 4.47Å; F80-L253 HydrophobicContact CZ-CB 4.34Å; L253-E255 PolarHBondContact O-N 3.47Å; L253-V256 WeakPolarHBondContact O-CB 3.48Å; L253-V256 WeakPolarHBondContact O-CG2 3.49Å; L253-V256 PolarHBondContact O-N 3.09Å; L253-V256 VanDerWaalsContact O-N 3.16Å; L253-K323 VanDerWaalsContact CD1-NZ 3.33Å
254Y92.2Very high94.7Very high0 Ų036.7 Ų36.70%020%0.196CC..G310 helixtrans-75.3-9.5177.2-52.6-46000113.2F80 D252 V256 W289 L292 M296 H327 I330 P600F80-Y254 HydrophobicContact CD2-CE1 4.38Å; F80-Y254 HydrophobicContact CE1-CD1 4.14Å; F80-Y254 HydrophobicContact CE2-CD1 4.06Å; F80-Y254 AromaticContact CE2-CE1 3.68Å; F80-Y254 HydrophobicContact CE2-CE1 3.68Å; F80-Y254 AromaticContact CZ-CD1 3.66Å; F80-Y254 HydrophobicContact CZ-CD1 3.66Å; F80-Y254 AromaticContact CZ-CE1 3.78Å; F80-Y254 HydrophobicContact CZ-CE1 3.78Å; D252-Y254 PolarHBondContact O-N 2.69Å; D252-Y254 WeakPolarHBondContact OD1-CA 3.44Å; D252-Y254 WeakPolarHBondContact OD1-CB 3.45Å; D252-Y254 WeakPolarHBondContact OD1-CD2 3.39Å; D252-Y254 VanDerWaalsContact OD1-CG 3.25Å; D252-Y254 PolarHBondContact OD1-N 2.8Å; Y254-V256 VanDerWaalsContact C-N 3.35Å; Y254-W289 HydrophobicContact CD1-CE3 4.42Å; Y254-W289 AromaticContact CD1-CH2 3.94Å; Y254-W289 HydrophobicContact CD1-CH2 3.94Å; Y254-W289 AromaticContact CD1-CZ3 3.45Å; Y254-W289 HydrophobicContact CD1-CZ3 3.45Å; Y254-W289 VanDerWaalsContact CD1-CZ3 3.45Å; Y254-W289 HydrophobicContact CE1-CZ3 4.41Å; Y254-W289 AromaticContact CG-CZ3 3.94Å; Y254-W289 HydrophobicContact CG-CZ3 3.94Å; Y254-L292 HydrophobicContact CD2-CD2 3.58Å; Y254-L292 HydrophobicContact CE2-CD2 4.48Å; Y254-L292 HydrophobicContact CG-CD2 3.91Å; Y254-M296 HydrophobicContact CD2-SD 4.26Å; Y254-H327 AromaticContact CZ-NE2 3.65Å; Y254-H327 PolarHBondContact OH-CD2 3.25Å; Y254-H327 PolarHBondContact OH-NE2 3.49Å; Y254-I330 HydrophobicContact CD2-CD1 4.43Å; Y254-I330 HydrophobicContact CE2-CD1 4.28Å; Y254-P600 HydrophobicContact CD1-CG 4.49Å; Y254-P600 HydrophobicContact CE1-CG 3.78Å; Y254-P600 HydrophobicContact CE2-CG 4.49Å
255E93.9Very high94.6Very high23 Ų2336.4 Ų36.411%0.10719%0.194CC..G310 helixtrans-75.4-23.1166.4-68.1-179-147.900112.9V250 S251 D252 L253 L258 R259 T293V250-E255 HydrophobicContact CB-CB 4.34Å; V250-E255 HydrophobicContact CG1-CB 4.21Å; S251-E255 PolarHBondContact OG-OE1 2.94Å; S251-E255 VanDerWaalsContact OG-OE1 3.12Å; D252-E255 WeakPolarHBondContact O-CB 3.47Å; D252-E255 PolarHBondContact O-N 2.89Å; D252-E255 VanDerWaalsContact O-N 3.16Å; L253-E255 PolarHBondContact O-N 3.47Å; E255-L258 WeakPolarHBondContact O-CB 3.27Å; E255-L258 PolarHBondContact O-N 2.72Å; E255-L258 VanDerWaalsContact O-N 3.1Å; E255-R259 PolarHBondContact O-N 3.2Å; E255-R259 IonicContact OE2-CZ 3.56Å; E255-R259 IonicContact OE2-NE 3.25Å; E255-R259 PolarHBondContact OE2-NE 3.49Å; E255-R259 IonicContact OE2-NH2 2.8Å; E255-R259 PolarHBondContact OE2-NH2 3.13Å; E255-T293 HydrophobicContact CG-CG2 4.09Å
256V95.9Very high94.3Very high4 Ų436.3 Ų36.32%0.02419%0.194CC..Hα-helixtrans-60.3-47.3-173.2-178.40000112.3I21 I22 S25 V250 L253 Y254 L258 R259 L260I21-V256 HydrophobicContact CG2-CB 4.1Å; I21-V256 HydrophobicContact CG2-CG1 4.13Å; I21-V256 HydrophobicContact CG2-CG2 3.96Å; I22-V256 HydrophobicContact CD1-CG1 4.42Å; S25-V256 WeakPolarHBondContact OG-CG1 3.43Å; V250-V256 HydrophobicContact CG2-CG2 3.62Å; L253-V256 WeakPolarHBondContact O-CB 3.48Å; L253-V256 WeakPolarHBondContact O-CG2 3.49Å; L253-V256 PolarHBondContact O-N 3.09Å; L253-V256 VanDerWaalsContact O-N 3.16Å; Y254-V256 VanDerWaalsContact C-N 3.35Å; V256-L258 VanDerWaalsContact C-N 3.25Å; V256-L258 PolarHBondContact O-N 3.26Å; V256-R259 PolarHBondContact O-N 2.71Å; V256-L260 HydrophobicContact CG1-CD1 3.78Å; V256-L260 HydrophobicContact CG1-CG 4.03Å; V256-L260 WeakPolarHBondContact O-CB 3.49Å; V256-L260 VanDerWaalsContact O-CG 3.28Å; V256-L260 WeakPolarHBondContact O-CG 3.33Å; V256-L260 PolarHBondContact O-N 2.78Å
257P95.8Very high94.1Very high0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-57.2-37.9174.9-22.832.1000113.1T28 I29 F80 N261 L286 W289T28-P257 HydrophobicContact CG2-CB 4.26Å; T28-P257 HydrophobicContact CG2-CG 4.41Å; I29-P257 WeakPolarHBondContact CD1-O 3.27Å; I29-P257 HydrophobicContact CG1-CB 4.33Å; F80-P257 HydrophobicContact CD1-CG 4.25Å; F80-P257 HydrophobicContact CE1-CG 4.01Å; P257-N261 VanDerWaalsContact O-CB 3.24Å; P257-N261 WeakPolarHBondContact O-CB 3.22Å; P257-N261 PolarHBondContact O-N 3.27Å; P257-L286 HydrophobicContact CB-CD1 4.35Å; P257-W289 HydrophobicContact CG-CE3 4.02Å; P257-W289 HydrophobicContact CG-CH2 4.44Å; P257-W289 HydrophobicContact CG-CZ3 3.86Å
258L95.5Very high94.1Very high18 Ų1838.6 Ų38.69%0.09421%0.209CC..Hα-helixtrans-65.7-50.9179-56.5179.7000110.9E255 V256 L260 N261 D262 L286 W289 K290 T293E255-L258 WeakPolarHBondContact O-CB 3.27Å; E255-L258 PolarHBondContact O-N 2.72Å; E255-L258 VanDerWaalsContact O-N 3.1Å; V256-L258 VanDerWaalsContact C-N 3.25Å; V256-L258 PolarHBondContact O-N 3.26Å; L258-L260 VanDerWaalsContact C-N 3.32Å; L258-L260 PolarHBondContact O-N 3.08Å; L258-N261 WeakPolarHBondContact O-CB 3.48Å; L258-N261 PolarHBondContact O-N 3.34Å; L258-N261 VanDerWaalsContact O-N 3.16Å; L258-D262 VanDerWaalsContact O-CG 3.27Å; L258-D262 PolarHBondContact O-N 3.44Å; L258-L286 HydrophobicContact CD2-CB 3.74Å; L258-L286 HydrophobicContact CD2-CD1 4.01Å; L258-W289 HydrophobicContact CD2-CB 3.89Å; L258-W289 HydrophobicContact CG-CB 4.49Å; L258-K290 HydrophobicContact CD1-CG 4.08Å; L258-K290 HydrophobicContact CD2-CG 3.58Å; L258-K290 HydrophobicContact CG-CG 4.49Å; L258-T293 HydrophobicContact CD1-CG2 3.85Å
259R95.4Very high94.2Very high96 Ų9637 Ų3736%0.36220%0.201SC..Hα-helixtrans-66.5-32.3-178.9-66.3-169.7-175.6-143.64.6113.6E255 V256 Q263E255-R259 PolarHBondContact O-N 3.2Å; E255-R259 IonicContact OE2-CZ 3.56Å; E255-R259 IonicContact OE2-NE 3.25Å; E255-R259 PolarHBondContact OE2-NE 3.49Å; E255-R259 IonicContact OE2-NH2 2.8Å; E255-R259 PolarHBondContact OE2-NH2 3.13Å; V256-R259 PolarHBondContact O-N 2.71Å; R259-Q263 PolarHBondContact O-NE2 3.34Å
260L96.8Very high94.1Very high2 Ų233.6 Ų33.61%0.0118%0.182CC..Hα-helixtrans-72.5-38.6173.7-69.8-177.3000111.2I22 I29 M218 I245 V256 L258 D262 Q263 L265I22-L260 HydrophobicContact CD1-CD1 4.06Å; I29-L260 HydrophobicContact CD1-CB 3.8Å; M218-L260 HydrophobicContact SD-CD2 4.23Å; I245-L260 HydrophobicContact CG2-CD2 3.64Å; V256-L260 HydrophobicContact CG1-CD1 3.78Å; V256-L260 HydrophobicContact CG1-CG 4.03Å; V256-L260 WeakPolarHBondContact O-CB 3.49Å; V256-L260 VanDerWaalsContact O-CG 3.28Å; V256-L260 WeakPolarHBondContact O-CG 3.33Å; V256-L260 PolarHBondContact O-N 2.78Å; L258-L260 VanDerWaalsContact C-N 3.32Å; L258-L260 PolarHBondContact O-N 3.08Å; L260-D262 VanDerWaalsContact C-N 3.33Å; L260-Q263 PolarHBondContact O-N 2.98Å; L260-L265 HydrophobicContact CB-CD2 3.84Å; L260-L265 HydrophobicContact CD1-CD2 4.06Å; L260-L265 HydrophobicContact CG-CD2 4.4Å; L260-L265 VanDerWaalsContact O-CB 3.28Å; L260-L265 WeakPolarHBondContact O-CB 3.22Å; L260-L265 PolarHBondContact O-N 2.89Å
261N94.9Very high94.2Very high22 Ų2238.8 Ų38.812%0.11821%0.205CC..Hα-helixtrans-64-38.3174.4-174.181.6000112I29 P257 L258 Q263 N264 L286I29-N261 HydrophobicContact CD1-CB 4.35Å; I29-N261 HydrophobicContact CG1-CB 4.38Å; P257-N261 VanDerWaalsContact O-CB 3.24Å; P257-N261 WeakPolarHBondContact O-CB 3.22Å; P257-N261 PolarHBondContact O-N 3.27Å; L258-N261 WeakPolarHBondContact O-CB 3.48Å; L258-N261 PolarHBondContact O-N 3.34Å; L258-N261 VanDerWaalsContact O-N 3.16Å; N261-Q263 PolarHBondContact O-N 3.42Å; N261-N264 PolarHBondContact O-N 2.92Å; N261-L286 HydrophobicContact CB-CD1 3.79Å
262D95.3Very high94.5Very high111 Ų11135.1 Ų35.159%0.59418%0.177SC*.THydrogen-bonded Turntrans-63-21175.7-67.1-18.2000113L258 L260 N264L258-D262 VanDerWaalsContact O-CG 3.27Å; L258-D262 PolarHBondContact O-N 3.44Å; L260-D262 VanDerWaalsContact C-N 3.33Å; D262-N264 VanDerWaalsContact C-N 3.3Å
263Q96.3Very high94.8Very high61 Ų6135 Ų3529%0.28518%0.176SC..THydrogen-bonded Turntrans-91.518.3172.3-71.1175.484.900113.2I245 V246 R259 L260 N261 L265I245-Q263 HydrophobicContact CD1-CB 4.39Å; I245-Q263 HydrophobicContact CG2-CB 4.36Å; V246-Q263 PolarHBondContact O-NE2 3.04Å; R259-Q263 PolarHBondContact O-NE2 3.34Å; L260-Q263 PolarHBondContact O-N 2.98Å; N261-Q263 PolarHBondContact O-N 3.42Å; Q263-L265 VanDerWaalsContact C-N 3.25Å; Q263-L265 PolarHBondContact O-N 3.21Å
264N94.6Very high94.8Very high104 Ų10439.8 Ų39.856%0.55620%0.197SC*.THydrogen-bonded Turntrans60.426.6177.5-57.2-59.8000114.9N261 D262 C266 S267 I268N261-N264 PolarHBondContact O-N 2.92Å; D262-N264 VanDerWaalsContact C-N 3.3Å; N264-C266 VanDerWaalsContact C-N 3.29Å; N264-C266 PolarHBondContact O-N 2.93Å; N264-S267 WeakPolarHBondContact O-CB 3.39Å; N264-S267 PolarHBondContact O-N 2.82Å; N264-S267 VanDerWaalsContact O-N 3.1Å; N264-I268 WeakPolarHBondContact O-CG1 3.4Å; N264-I268 PolarHBondContact O-N 3.06Å; N264-I268 VanDerWaalsContact O-N 3.11Å
265L95.6Very high94.7Very high1 Ų141.4 Ų41.41%0.00521%0.205CC..Hα-helixtrans-55-42.2-175.6179.858.7000113.2I26 I29 L216 M218 L260 Q263 I268 L269I26-L265 HydrophobicContact CG1-CD2 3.93Å; I29-L265 HydrophobicContact CD1-CD2 4Å; L216-L265 HydrophobicContact CD1-CD1 3.78Å; M218-L265 HydrophobicContact CE-CD1 3.65Å; M218-L265 HydrophobicContact CE-CD2 3.87Å; M218-L265 HydrophobicContact CE-CG 4.45Å; L260-L265 HydrophobicContact CB-CD2 3.84Å; L260-L265 HydrophobicContact CD1-CD2 4.06Å; L260-L265 HydrophobicContact CG-CD2 4.4Å; L260-L265 VanDerWaalsContact O-CB 3.28Å; L260-L265 WeakPolarHBondContact O-CB 3.22Å; L260-L265 PolarHBondContact O-N 2.89Å; Q263-L265 VanDerWaalsContact C-N 3.25Å; Q263-L265 PolarHBondContact O-N 3.21Å; L265-I268 PolarHBondContact O-N 2.89Å; L265-L269 HydrophobicContact CD1-CD1 4.27Å; L265-L269 HydrophobicContact CD1-CG 4.33Å; L265-L269 HydrophobicContact CG-CD1 4.16Å; L265-L269 WeakPolarHBondContact O-CG 3.23Å; L265-L269 PolarHBondContact O-N 2.72Å
266C92.1Very high94.3Very high1 Ų146.8 Ų46.81%0.00724%0.235CC..Hα-helixtrans-62.5-47178.6-1650000111.6I29 Y33 N264 I268 L269 L270I29-C266 HydrophobicContact CG2-CB 3.58Å; Y33-C266 HydrophobicContact CD2-CB 3.95Å; Y33-C266 WeakPolarHBondContact CD2-SG 3.46Å; Y33-C266 HydrophobicContact CE1-CB 4.21Å; Y33-C266 HydrophobicContact CE2-CB 3.52Å; Y33-C266 VanDerWaalsContact CE2-SG 3.56Å; Y33-C266 HydrophobicContact CG-CB 4.43Å; N264-C266 VanDerWaalsContact C-N 3.29Å; N264-C266 PolarHBondContact O-N 2.93Å; C266-I268 VanDerWaalsContact C-N 3.26Å; C266-I268 PolarHBondContact O-N 2.84Å; C266-L269 PolarHBondContact O-N 3.04Å; C266-L269 VanDerWaalsContact O-N 3.09Å; C266-L270 WeakPolarHBondContact O-CG 3.41Å; C266-L270 PolarHBondContact O-N 3.35Å
267S92.8Very high93.3Very high56 Ų5650.1 Ų50.139%0.39226%0.257SS..Hα-helixtrans-57.1-42.4178.9-53.90000111.5N264 L270 E271N264-S267 WeakPolarHBondContact O-CB 3.39Å; N264-S267 PolarHBondContact O-N 2.82Å; N264-S267 VanDerWaalsContact O-N 3.1Å; S267-L270 PolarHBondContact O-N 3.16Å; S267-E271 WeakPolarHBondContact O-CB 3.47Å; S267-E271 PolarHBondContact O-N 3.02Å
268I95.8Very high92.7Very high15 Ų1553.5 Ų53.58%0.07727%0.271CS..Hα-helixtrans-64.6-41.1177.6-61.2162.9000111.4L216 E242 R243 I245 N264 L265 C266 H272L216-I268 HydrophobicContact CD2-CG2 3.53Å; E242-I268 VanDerWaalsContact O-CD1 3.26Å; E242-I268 WeakPolarHBondContact O-CD1 3.21Å; R243-I268 HydrophobicContact CG-CG2 4.06Å; I245-I268 HydrophobicContact CD1-CD1 3.97Å; N264-I268 WeakPolarHBondContact O-CG1 3.4Å; N264-I268 PolarHBondContact O-N 3.06Å; N264-I268 VanDerWaalsContact O-N 3.11Å; L265-I268 PolarHBondContact O-N 2.89Å; C266-I268 VanDerWaalsContact C-N 3.26Å; C266-I268 PolarHBondContact O-N 2.84Å; I268-H272 WeakPolarHBondContact O-CB 3.24Å; I268-H272 PolarHBondContact O-N 2.94Å
269L96.4Very high91.7Very high1 Ų160.7 Ų60.71%0.00531%0.309CS..Hα-helixtrans-68.1-41.7177.2-70.7171.7000112.2I7 I26 L30 L216 L265 C266 H272 F273I7-L269 HydrophobicContact CD1-CD1 4.35Å; I7-L269 HydrophobicContact CD1-CD2 4.18Å; I26-L269 HydrophobicContact CG2-CD1 3.86Å; L30-L269 HydrophobicContact CD1-CD1 4.48Å; L30-L269 HydrophobicContact CD2-CD1 4.27Å; L30-L269 HydrophobicContact CG-CD1 4.44Å; L216-L269 HydrophobicContact CD1-CD2 3.6Å; L216-L269 HydrophobicContact CD1-CG 4.22Å; L265-L269 HydrophobicContact CD1-CD1 4.27Å; L265-L269 HydrophobicContact CD1-CG 4.33Å; L265-L269 HydrophobicContact CG-CD1 4.16Å; L265-L269 WeakPolarHBondContact O-CG 3.23Å; L265-L269 PolarHBondContact O-N 2.72Å; C266-L269 PolarHBondContact O-N 3.04Å; C266-L269 VanDerWaalsContact O-N 3.09Å; L269-H272 PolarHBondContact O-N 3.29Å; L269-F273 HydrophobicContact CD2-CE2 4.31Å; L269-F273 WeakPolarHBondContact O-CD2 3.3Å; L269-F273 PolarHBondContact O-N 3.07Å
270L93.1Very high90.9Very high12 Ų1264 Ų646%0.06333%0.328CS..Hα-helixtrans-63.4-43.5176.1-67.1178.4000111.2Y33 W35 C266 S267 F273 H274 L275 P277Y33-L270 HydrophobicContact CD1-CD1 4.37Å; W35-L270 HydrophobicContact CZ2-CD2 3.83Å; C266-L270 WeakPolarHBondContact O-CG 3.41Å; C266-L270 PolarHBondContact O-N 3.35Å; S267-L270 PolarHBondContact O-N 3.16Å; L270-F273 PolarHBondContact O-N 3.33Å; L270-H274 PolarHBondContact O-N 3.41Å; L270-L275 HydrophobicContact CD2-CB 3.75Å; L270-L275 HydrophobicContact CD2-CD1 4.34Å; L270-L275 PolarHBondContact O-N 3.45Å; L270-P277 HydrophobicContact CD1-CG 4.09Å
271E95Very high90.3Very high136 Ų13666.8 Ų66.864%0.63634%0.343SS*.Hα-helixtrans-59.7-48.2173.1-174-172.2159.800110.8S267 F273 H274S267-E271 WeakPolarHBondContact O-CB 3.47Å; S267-E271 PolarHBondContact O-N 3.02Å; E271-F273 VanDerWaalsContact C-N 3.33Å; E271-F273 PolarHBondContact O-N 2.97Å; E271-H274 PolarHBondContact O-CD2 2.97Å; E271-H274 PolarHBondContact O-N 2.89Å
272H95.7Very high89.7Confident23 Ų2368.3 Ų68.311%0.10635%0.349CS..Hα-helixtrans-57-44.2179.3-174.990000112.9S175 F178 D215 R243 I268 L269 H274S175-H272 PolarHBondContact O-NE2 2.87Å; F178-H272 PolarHBondContact O-NE2 3.32Å; D215-H272 IonicContact OD1-CE1 3.46Å; D215-H272 PolarHBondContact OD1-CE1 2.89Å; D215-H272 IonicContact OD2-CE1 2.77Å; R243-H272 PolarHBondContact NH1-ND1 2.98Å; I268-H272 WeakPolarHBondContact O-CB 3.24Å; I268-H272 PolarHBondContact O-N 2.94Å; L269-H272 PolarHBondContact O-N 3.29Å; H272-H274 VanDerWaalsContact C-N 3.34Å
273F95.7Very high89.1Confident3 Ų373.4 Ų73.41%0.01336%0.361CS..Hα-helixtrans-881.3-177-67-55.8000114.4K5 I7 V176 C179 L269 L270 E271 L275K5-F273 HydrophobicContact CB-CD1 3.91Å; K5-F273 HydrophobicContact CB-CD2 4.38Å; K5-F273 HydrophobicContact CB-CE1 3.86Å; K5-F273 HydrophobicContact CB-CE2 4.33Å; K5-F273 HydrophobicContact CB-CG 4.18Å; K5-F273 HydrophobicContact CB-CZ 4.06Å; K5-F273 HydrophobicContact CD-CB 4.21Å; K5-F273 HydrophobicContact CD-CD1 3.83Å; K5-F273 HydrophobicContact CD-CE1 4.48Å; K5-F273 HydrophobicContact CD-CG 4.17Å; K5-F273 HydrophobicContact CG-CB 4.35Å; K5-F273 HydrophobicContact CG-CD1 4.08Å; K5-F273 HydrophobicContact CG-CG 4.12Å; K5-F273 PolarHBondContact NZ-O 2.93Å; I7-F273 HydrophobicContact CD1-CE2 3.99Å; I7-F273 HydrophobicContact CD1-CZ 4.35Å; I7-F273 HydrophobicContact CG1-CE2 3.79Å; I7-F273 HydrophobicContact CG1-CZ 3.62Å; V176-F273 WeakPolarHBondContact O-CD1 3.46Å; C179-F273 HydrophobicContact CB-CE1 3.87Å; C179-F273 HydrophobicContact CB-CE2 4.22Å; C179-F273 HydrophobicContact CB-CZ 3.42Å; C179-F273 VanDerWaalsContact CB-CZ 3.42Å; L269-F273 HydrophobicContact CD2-CE2 4.31Å; L269-F273 WeakPolarHBondContact O-CD2 3.3Å; L269-F273 PolarHBondContact O-N 3.07Å; L270-F273 PolarHBondContact O-N 3.33Å; E271-F273 VanDerWaalsContact C-N 3.33Å; E271-F273 PolarHBondContact O-N 2.97Å; F273-L275 VanDerWaalsContact C-N 3.31Å; F273-L275 HydrophobicContact CB-CD1 3.61Å; F273-L275 HydrophobicContact CB-CG 3.6Å; F273-L275 HydrophobicContact CD2-CD1 4.38Å; F273-L275 HydrophobicContact CG-CD1 4.34Å; F273-L275 PolarHBondContact O-N 3.09Å
274H93.2Very high88.8Confident146 Ų14674 Ų7468%0.67637%0.371SS*.THydrogen-bonded Turntrans52.546.4-171.1-57.7166.7000112.7V176 L270 E271 H272V176-H274 HydrophobicContact CG1-CB 4.32Å; L270-H274 PolarHBondContact O-N 3.41Å; E271-H274 PolarHBondContact O-CD2 2.97Å; E271-H274 PolarHBondContact O-N 2.89Å; H272-H274 VanDerWaalsContact C-N 3.34Å
275L89.9Confident88.5Confident34 Ų3471.1 Ų71.118%0.17836%0.355CS..  trans-104.3146.1-178.6-62.8176.9000111.3K5 W35 L270 F273K5-L275 HydrophobicContact CG-CD1 4.3Å; W35-L275 HydrophobicContact CE3-CD1 4.36Å; W35-L275 HydrophobicContact CH2-CB 3.77Å; W35-L275 HydrophobicContact CH2-CD1 3.6Å; W35-L275 HydrophobicContact CH2-CD2 3.66Å; W35-L275 HydrophobicContact CH2-CG 3.85Å; W35-L275 HydrophobicContact CZ2-CB 3.64Å; W35-L275 HydrophobicContact CZ2-CD1 3.75Å; W35-L275 HydrophobicContact CZ2-CD2 4.41Å; W35-L275 HydrophobicContact CZ2-CG 4.12Å; W35-L275 HydrophobicContact CZ3-CD1 3.9Å; W35-L275 HydrophobicContact CZ3-CD2 4.16Å; W35-L275 HydrophobicContact CZ3-CG 4.49Å; L270-L275 HydrophobicContact CD2-CB 3.75Å; L270-L275 HydrophobicContact CD2-CD1 4.34Å; L270-L275 PolarHBondContact O-N 3.45Å; F273-L275 VanDerWaalsContact C-N 3.31Å; F273-L275 HydrophobicContact CB-CD1 3.61Å; F273-L275 HydrophobicContact CB-CG 3.6Å; F273-L275 HydrophobicContact CD2-CD1 4.38Å; F273-L275 HydrophobicContact CG-CD1 4.34Å; F273-L275 PolarHBondContact O-N 3.09Å
276N84.2Confident88.3Confident136 Ų13671.1 Ų71.173%0.72736%0.355SS*.PPolyproline II helixtrans-95.9146.7169.1-67.3-50.8000109.8W35W35-N276 VanDerWaalsContact CZ2-O 3.26Å; W35-N276 WeakPolarHBondContact CZ2-O 3.49Å
277P75.9Confident88.2Confident75 Ų7571.8 Ų71.849%0.48736%0.362SS..PPolyproline II helixtrans-52.8142.4170.9-2231.6000111.6L270 I281L270-P277 HydrophobicContact CD1-CG 4.09Å; P277-I281 HydrophobicContact CB-CD1 3.79Å
278K83.7Confident88Confident70 Ų7075.4 Ų75.430%0.30437%0.371SS..PPolyproline II helixtrans-71.3161.8178.8-67.7-79.7-172.5169.80111.1Y33 W35 E144 H280 I281Y33-K278 WeakPolarHBondContact O-CB 3.43Å; W35-K278 HydrophobicContact CD2-CG 4.31Å; W35-K278 HydrophobicContact CH2-CD 4.5Å; W35-K278 HydrophobicContact CZ2-CG 4.24Å; E144-K278 VanDerWaalsContact CD-NZ 3.32Å; E144-K278 WeakPolarHBondContact OE1-CE 3.37Å; E144-K278 IonicContact OE1-NZ 2.74Å; E144-K278 PolarHBondContact OE1-NZ 3.3Å; E144-K278 VanDerWaalsContact OE2-CE 3.32Å; E144-K278 WeakPolarHBondContact OE2-CE 3.03Å; E144-K278 IonicContact OE2-NZ 3.33Å; E144-K278 PolarHBondContact OE2-NZ 2.69Å; K278-H280 VanDerWaalsContact C-N 3.29Å; K278-H280 PolarHBondContact O-N 2.48Å; K278-I281 WeakPolarHBondContact O-CD1 3.4Å; K278-I281 WeakPolarHBondContact O-CG1 3.4Å
279L74.3Confident87.7Confident170 Ų17075.9 Ų75.989%0.8937%0.371SS*.SBendtrans-66.5-32.5175.6-71.1170.2000112.4
280H78.7Confident87.5Confident165 Ų16580.5 Ų80.576%0.76439%0.392SS*.SBendtrans-105.487.7-178.3-61.6-67.2000109.8G34 K278G34-H280 WeakPolarHBondContact CA-O 3.48Å; K278-H280 VanDerWaalsContact C-N 3.29Å; K278-H280 PolarHBondContact O-N 2.48Å
281I82.4Confident87.3Confident61 Ų6182.4 Ų82.431%0.31341%0.409SS..  trans-100.2142174-65.5165.8000108.1A32 P277 K278 Y283 I285A32-I281 WeakPolarHBondContact O-CG2 3.17Å; P277-I281 HydrophobicContact CB-CD1 3.79Å; K278-I281 WeakPolarHBondContact O-CD1 3.4Å; K278-I281 WeakPolarHBondContact O-CG1 3.4Å; I281-Y283 PolarHBondContact O-N 2.97Å; I281-I285 HydrophobicContact CG2-CD1 4.26Å; I281-I285 HydrophobicContact CG2-CG1 3.79Å
282E83.3Confident87.1Confident53 Ų5376.3 Ų76.325%0.24838%0.381CS..  trans-62.1119.7168.3-174.9-174.3157.600108.8A32 P284 I285 G287 K288A32-E282 HydrophobicContact CB-CB 4.36Å; A32-E282 WeakPolarHBondContact O-CB 3.32Å; A32-E282 PolarHBondContact O-N 3.49Å; E282-P284 CarbonylContact O-C 3.58Å; E282-P284 VanDerWaalsContact O-C 3.24Å; E282-I285 WeakPolarHBondContact O-CA 3.48Å; E282-I285 WeakPolarHBondContact O-CG1 3.35Å; E282-I285 PolarHBondContact O-N 2.85Å; E282-I285 VanDerWaalsContact O-N 3.11Å; E282-G287 PolarHBondContact OE1-N 2.7Å; E282-G287 VanDerWaalsContact OE1-N 3.08Å; E282-K288 PolarHBondContact OE1-N 3.25Å; E282-K288 VanDerWaalsContact OE1-N 3.16Å
283Y83.4Confident86.8Confident218 Ų21875.9 Ų75.986%0.85538%0.38SS*.SBendtrans-118.8126.4175.7-166.9-94.9000111.5I281I281-Y283 PolarHBondContact O-N 2.97Å
284P88.8Confident86.5Confident74 Ų7483.5 Ų83.548%0.48141%0.408SS..SBendcis-65.8151.2-7.627.6-31.8000111.6E282 L286 G287E282-P284 CarbonylContact O-C 3.58Å; E282-P284 VanDerWaalsContact O-C 3.24Å; P284-L286 PolarHBondContact O-N 3.36Å; P284-G287 WeakPolarHBondContact O-CA 3.28Å; P284-G287 PolarHBondContact O-N 2.65Å
285I88.7Confident86.2Confident44 Ų4480.8 Ų80.823%0.22640%0.396CS..THydrogen-bonded Turntrans-58127.3179.2-65.4166.4000109.1A32 Y33 I281 E282 G287A32-I285 HydrophobicContact CB-CG2 4.37Å; Y33-I285 HydrophobicContact CD2-CG2 4.23Å; Y33-I285 HydrophobicContact CE1-CD1 4.03Å; Y33-I285 HydrophobicContact CE2-CD1 4.07Å; Y33-I285 HydrophobicContact CE2-CG2 3.65Å; I281-I285 HydrophobicContact CG2-CD1 4.26Å; I281-I285 HydrophobicContact CG2-CG1 3.79Å; E282-I285 WeakPolarHBondContact O-CA 3.48Å; E282-I285 WeakPolarHBondContact O-CG1 3.35Å; E282-I285 PolarHBondContact O-N 2.85Å; E282-I285 VanDerWaalsContact O-N 3.11Å; I285-G287 PolarHBondContact O-N 2.97Å
286L90.6Very high86Confident0 Ų081.1 Ų81.10%040%0.397CS..THydrogen-bonded Turntrans55.429.8-174-60.6171.9000112.8T28 I29 A32 P257 L258 N261 P284 K288 W289 K290T28-L286 HydrophobicContact CG2-CD2 3.78Å; I29-L286 HydrophobicContact CG1-CD1 4.11Å; A32-L286 HydrophobicContact CB-CD2 3.65Å; A32-L286 HydrophobicContact CB-CG 4.07Å; P257-L286 HydrophobicContact CB-CD1 4.35Å; L258-L286 HydrophobicContact CD2-CB 3.74Å; L258-L286 HydrophobicContact CD2-CD1 4.01Å; N261-L286 HydrophobicContact CB-CD1 3.79Å; P284-L286 PolarHBondContact O-N 3.36Å; L286-K288 VanDerWaalsContact C-N 3.28Å; L286-K288 PolarHBondContact O-N 3.16Å; L286-W289 HydrophobicContact CB-CB 4.15Å; L286-W289 HydrophobicContact CD2-CG 4.22Å; L286-W289 WeakPolarHBondContact O-CB 3.48Å; L286-W289 PolarHBondContact O-N 3.15Å; L286-W289 VanDerWaalsContact O-N 3.08Å; L286-K290 WeakPolarHBondContact O-CG 3.33Å; L286-K290 PolarHBondContact O-N 2.93Å
287G90.5Very high86.2Confident16 Ų1681 Ų8117%0.16539%0.392CS..Hα-helixtrans-57.2-41.3-178.800000112.6E282 P284 I285 W289 K290 A291E282-G287 PolarHBondContact OE1-N 2.7Å; E282-G287 VanDerWaalsContact OE1-N 3.08Å; P284-G287 WeakPolarHBondContact O-CA 3.28Å; P284-G287 PolarHBondContact O-N 2.65Å; I285-G287 PolarHBondContact O-N 2.97Å; G287-W289 VanDerWaalsContact C-N 3.33Å; G287-W289 PolarHBondContact O-N 3.49Å; G287-K290 PolarHBondContact O-N 2.94Å; G287-A291 PolarHBondContact O-N 3.2Å
288K88.1Confident86.8Confident132 Ų13282.9 Ų82.957%0.57440%0.397SS*.Hα-helixtrans-62.1-41.2175.7-65.4179.2-176.4178.90111.9E282 L286 A291 L292E282-K288 PolarHBondContact OE1-N 3.25Å; E282-K288 VanDerWaalsContact OE1-N 3.16Å; L286-K288 VanDerWaalsContact C-N 3.28Å; L286-K288 PolarHBondContact O-N 3.16Å; K288-A291 PolarHBondContact O-N 3.19Å; K288-L292 WeakPolarHBondContact O-CB 3.23Å; K288-L292 PolarHBondContact O-N 3.08Å
289W90.3Very high87.1Confident24 Ų2480 Ų809%0.09139%0.387CS..Hα-helixtrans-68.3-42.8179-7182.1000112T28 F80 Y254 P257 L258 L286 G287 A291 L292 T293T28-W289 HydrophobicContact CG2-CD2 4.06Å; T28-W289 HydrophobicContact CG2-CG 4.5Å; T28-W289 HydrophobicContact CG2-CH2 4.26Å; T28-W289 HydrophobicContact CG2-CZ2 3.48Å; T28-W289 VanDerWaalsContact CG2-CZ2 3.48Å; T28-W289 VanDerWaalsContact CG2-NE1 3.27Å; F80-W289 HydrophobicContact CB-CH2 4.32Å; F80-W289 AromaticContact CD1-CH2 3.38Å; F80-W289 HydrophobicContact CD1-CH2 3.38Å; F80-W289 HydrophobicContact CD1-CZ2 4.27Å; F80-W289 AromaticContact CD1-CZ3 3.94Å; F80-W289 HydrophobicContact CD1-CZ3 3.94Å; F80-W289 AromaticContact CE1-CH2 3.75Å; F80-W289 HydrophobicContact CE1-CH2 3.75Å; F80-W289 AromaticContact CE1-CZ3 3.84Å; F80-W289 HydrophobicContact CE1-CZ3 3.84Å; F80-W289 AromaticContact CG-CH2 3.84Å; F80-W289 HydrophobicContact CG-CH2 3.84Å; F80-W289 HydrophobicContact CZ-CH2 4.48Å; F80-W289 WeakPolarHBondContact O-CZ2 3.48Å; Y254-W289 HydrophobicContact CD1-CE3 4.42Å; Y254-W289 AromaticContact CD1-CH2 3.94Å; Y254-W289 HydrophobicContact CD1-CH2 3.94Å; Y254-W289 AromaticContact CD1-CZ3 3.45Å; Y254-W289 HydrophobicContact CD1-CZ3 3.45Å; Y254-W289 VanDerWaalsContact CD1-CZ3 3.45Å; Y254-W289 HydrophobicContact CE1-CZ3 4.41Å; Y254-W289 AromaticContact CG-CZ3 3.94Å; Y254-W289 HydrophobicContact CG-CZ3 3.94Å; P257-W289 HydrophobicContact CG-CE3 4.02Å; P257-W289 HydrophobicContact CG-CH2 4.44Å; P257-W289 HydrophobicContact CG-CZ3 3.86Å; L258-W289 HydrophobicContact CD2-CB 3.89Å; L258-W289 HydrophobicContact CG-CB 4.49Å; L286-W289 HydrophobicContact CB-CB 4.15Å; L286-W289 HydrophobicContact CD2-CG 4.22Å; L286-W289 WeakPolarHBondContact O-CB 3.48Å; L286-W289 PolarHBondContact O-N 3.15Å; L286-W289 VanDerWaalsContact O-N 3.08Å; G287-W289 VanDerWaalsContact C-N 3.33Å; G287-W289 PolarHBondContact O-N 3.49Å; W289-A291 VanDerWaalsContact C-N 3.32Å; W289-A291 PolarHBondContact O-N 2.92Å; W289-L292 WeakPolarHBondContact O-CB 3.44Å; W289-L292 PolarHBondContact O-N 3.24Å; W289-T293 WeakPolarHBondContact O-CG2 3.25Å; W289-T293 PolarHBondContact O-N 2.79Å; W289-T293 PolarHBondContact O-OG1 2.9Å
290K91.7Very high87.9Confident99 Ų9976.9 Ų76.943%0.4338%0.379SS..Hα-helixtrans-61.2-39.9173.9-70178.9179175.90112.2L258 L286 G287 T293 R294L258-K290 HydrophobicContact CD1-CG 4.08Å; L258-K290 HydrophobicContact CD2-CG 3.58Å; L258-K290 HydrophobicContact CG-CG 4.49Å; L286-K290 WeakPolarHBondContact O-CG 3.33Å; L286-K290 PolarHBondContact O-N 2.93Å; G287-K290 PolarHBondContact O-N 2.94Å; K290-T293 PolarHBondContact O-OG1 2.99Å; K290-R294 VanDerWaalsContact O-CB 3.22Å; K290-R294 WeakPolarHBondContact O-CB 3.42Å; K290-R294 PolarHBondContact O-N 3.17Å; K290-R294 VanDerWaalsContact O-N 3.1Å
291A89.4Confident88.6Confident51 Ų5173.3 Ų73.342%0.42136%0.363SS..Hα-helixtrans-65.4-42.9175.800000111.3G287 K288 W289 R294 Q295G287-A291 PolarHBondContact O-N 3.2Å; K288-A291 PolarHBondContact O-N 3.19Å; W289-A291 VanDerWaalsContact C-N 3.32Å; W289-A291 PolarHBondContact O-N 2.92Å; A291-R294 PolarHBondContact O-N 3.31Å; A291-Q295 WeakPolarHBondContact O-CG 3.31Å; A291-Q295 PolarHBondContact O-N 2.92Å
292L89.8Confident89.3Confident9 Ų974.3 Ų74.35%0.04737%0.368CS..Hα-helixtrans-61.3-51.4178.2-178.4145.5000112.1Y254 K288 W289 R294 Q295 M296 I330 P600Y254-L292 HydrophobicContact CD2-CD2 3.58Å; Y254-L292 HydrophobicContact CE2-CD2 4.48Å; Y254-L292 HydrophobicContact CG-CD2 3.91Å; K288-L292 WeakPolarHBondContact O-CB 3.23Å; K288-L292 PolarHBondContact O-N 3.08Å; W289-L292 WeakPolarHBondContact O-CB 3.44Å; W289-L292 PolarHBondContact O-N 3.24Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 2.96Å; L292-Q295 PolarHBondContact O-N 3.27Å; L292-M296 HydrophobicContact CD2-SD 3.55Å; L292-M296 VanDerWaalsContact CD2-SD 3.55Å; L292-M296 HydrophobicContact CG-SD 4.48Å; L292-M296 WeakPolarHBondContact O-CG 3.32Å; L292-M296 PolarHBondContact O-N 3.24Å; L292-M296 VanDerWaalsContact O-N 3.16Å; L292-I330 HydrophobicContact CD1-CD1 4.4Å; L292-I330 HydrophobicContact CD1-CG2 4.24Å; L292-I330 HydrophobicContact CD2-CD1 4.05Å; L292-I330 HydrophobicContact CG-CD1 4.19Å; L292-I330 HydrophobicContact CG-CG2 3.89Å; L292-P600 HydrophobicContact CD1-CB 3.44Å; L292-P600 VanDerWaalsContact CD1-CB 3.44Å
293T89.2Confident90Very high13 Ų1371.9 Ų71.98%0.0836%0.357CS..Hα-helixtrans-64.2-38.6179.7580000111.3E255 L258 W289 K290 Q295 M296 E297E255-T293 HydrophobicContact CG-CG2 4.09Å; L258-T293 HydrophobicContact CD1-CG2 3.85Å; W289-T293 WeakPolarHBondContact O-CG2 3.25Å; W289-T293 PolarHBondContact O-N 2.79Å; W289-T293 PolarHBondContact O-OG1 2.9Å; K290-T293 PolarHBondContact O-OG1 2.99Å; T293-Q295 PolarHBondContact O-N 2.79Å; T293-M296 WeakPolarHBondContact O-CB 3.39Å; T293-M296 PolarHBondContact O-N 3.02Å; T293-E297 WeakPolarHBondContact O-CG 3.5Å; T293-E297 PolarHBondContact O-N 3.36Å
294R90.1Very high90.7Very high164 Ų16467.1 Ų67.162%0.61934%0.337SS*.Hα-helixtrans-63.5-39.7175.3-175.3177.1179.7-179.40.3112.8K290 A291 L292 M296 E297 L298K290-R294 VanDerWaalsContact O-CB 3.22Å; K290-R294 WeakPolarHBondContact O-CB 3.42Å; K290-R294 PolarHBondContact O-N 3.17Å; K290-R294 VanDerWaalsContact O-N 3.1Å; A291-R294 PolarHBondContact O-N 3.31Å; L292-R294 VanDerWaalsContact C-N 3.31Å; L292-R294 PolarHBondContact O-N 2.96Å; R294-M296 VanDerWaalsContact C-N 3.27Å; R294-M296 PolarHBondContact O-N 3.21Å; R294-E297 PolarHBondContact O-N 3.46Å; R294-L298 HydrophobicContact CG-CD1 3.79Å; R294-L298 HydrophobicContact CG-CG 4.27Å; R294-L298 WeakPolarHBondContact O-CB 3.26Å; R294-L298 VanDerWaalsContact O-CG 3.25Å; R294-L298 WeakPolarHBondContact O-CG 3.29Å; R294-L298 PolarHBondContact O-N 3.02Å
295Q87.2Confident91.2Very high89 Ų8963.6 Ų63.642%0.41631%0.314SS..Hα-helixtrans-61.3-39.6175-78.6176.7-17.600111.3A291 L292 T293 L298 A299A291-Q295 WeakPolarHBondContact O-CG 3.31Å; A291-Q295 PolarHBondContact O-N 2.92Å; L292-Q295 PolarHBondContact O-N 3.27Å; T293-Q295 PolarHBondContact O-N 2.79Å; Q295-L298 PolarHBondContact O-N 3.24Å; Q295-A299 WeakPolarHBondContact O-CB 3.32Å; Q295-A299 PolarHBondContact O-N 3.19Å; Q295-A299 VanDerWaalsContact O-N 3.12Å
296M86.4Confident91.6Very high40 Ų4061.5 Ų61.520%0.19730%0.304CS..Hα-helixtrans-63.5-42.8177.2-65.4168.768.200112.8D252 Y254 L292 T293 R294 R326 I330D252-M296 HydrophobicContact CB-CE 3.74Å; D252-M296 WeakPolarHBondContact OD2-CE 3.27Å; Y254-M296 HydrophobicContact CD2-SD 4.26Å; L292-M296 HydrophobicContact CD2-SD 3.55Å; L292-M296 VanDerWaalsContact CD2-SD 3.55Å; L292-M296 HydrophobicContact CG-SD 4.48Å; L292-M296 WeakPolarHBondContact O-CG 3.32Å; L292-M296 PolarHBondContact O-N 3.24Å; L292-M296 VanDerWaalsContact O-N 3.16Å; T293-M296 WeakPolarHBondContact O-CB 3.39Å; T293-M296 PolarHBondContact O-N 3.02Å; R294-M296 VanDerWaalsContact C-N 3.27Å; R294-M296 PolarHBondContact O-N 3.21Å; M296-R326 VanDerWaalsContact CE-NE 3.27Å; M296-R326 VanDerWaalsContact CE-NH2 3.28Å; M296-I330 HydrophobicContact CE-CD1 4.14Å; M296-I330 HydrophobicContact CG-CD1 3.78Å; M296-I330 HydrophobicContact CG-CG1 3.46Å; M296-I330 VanDerWaalsContact CG-CG1 3.46Å; M296-I330 HydrophobicContact SD-CD1 3.46Å; M296-I330 WeakPolarHBondContact SD-CD1 3.49Å; M296-I330 HydrophobicContact SD-CG1 3.9Å
297E87.4Confident92Very high134 Ų13461.5 Ų61.563%0.62630%0.304SS*.Hα-helixtrans-67.5-37.1178.8-70.8171.1-179.600112.4T293 R294T293-E297 WeakPolarHBondContact O-CG 3.5Å; T293-E297 PolarHBondContact O-N 3.36Å; R294-E297 PolarHBondContact O-N 3.46Å
298L89.8Confident92.4Very high114 Ų11460.7 Ų60.760%0.59730%0.296SS*.Hα-helixtrans-82.9-16.3-176.5-67.3177.1000114R294 Q295 S300R294-L298 HydrophobicContact CG-CD1 3.79Å; R294-L298 HydrophobicContact CG-CG 4.27Å; R294-L298 WeakPolarHBondContact O-CB 3.26Å; R294-L298 VanDerWaalsContact O-CG 3.25Å; R294-L298 WeakPolarHBondContact O-CG 3.29Å; R294-L298 PolarHBondContact O-N 3.02Å; Q295-L298 PolarHBondContact O-N 3.24Å; L298-S300 PolarHBondContact O-N 3.29Å
299A89.2Confident92.7Very high11 Ų1154.4 Ų54.49%0.09127%0.269CS..  trans-67.9118.5-178.700000111.4Q295 K335Q295-A299 WeakPolarHBondContact O-CB 3.32Å; Q295-A299 PolarHBondContact O-N 3.19Å; Q295-A299 VanDerWaalsContact O-N 3.12Å; A299-K335 HydrophobicContact CB-CB 4.4Å
300S90.4Very high92.8Very high104 Ų10454.8 Ų54.873%0.72727%0.271SS*.  trans-107.5-35.8-176.7580000113.9L298 I302L298-S300 PolarHBondContact O-N 3.29Å; S300-I302 PolarHBondContact O-N 2.68Å
301E95.1Very high92.6Very high89 Ų8951 Ų5142%0.41625%0.254SS..SBendtrans-73.7126.1179.6-176.4179.1147.900110.6L334 K335 R617E301-L334 HydrophobicContact CB-CD2 3.76Å; E301-L334 HydrophobicContact CG-CD2 3.79Å; E301-K335 PolarHBondContact O-N 3.28Å; E301-R617 VanDerWaalsContact CD-NH2 3.25Å; E301-R617 IonicContact OE1-CZ 2.86Å; E301-R617 IonicContact OE1-NH2 3.75Å; E301-R617 PolarHBondContact OE1-NH2 2.87Å; E301-R617 IonicContact OE2-CZ 3.77Å; E301-R617 IonicContact OE2-NH2 2.73Å; E301-R617 PolarHBondContact OE2-NH2 3.22Å
302I96.6Very high92.5Very high82 Ų8249.8 Ų49.842%0.42124%0.241SC..EExtended strand (participates in β ladder)trans-91.7133.5-175.4-58.2175.2000109.9S300 R304 K335 D337S300-I302 PolarHBondContact O-N 2.68Å; I302-R304 HydrophobicContact CG2-CG 4.17Å; I302-K335 CarbonylContact C-O 3.59Å; I302-K335 VanDerWaalsContact CA-O 3.27Å; I302-K335 WeakPolarHBondContact CA-O 3.2Å; I302-K335 HydrophobicContact CG1-CB 4.27Å; I302-K335 HydrophobicContact CG1-CD 4.22Å; I302-K335 HydrophobicContact CG1-CG 4.43Å; I302-D337 HydrophobicContact CG2-CB 3.65Å
303V97.6Very high92.2Very high3 Ų358 Ų582%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-113.8122.8166.662.60000109.3I305 L334 K335 L336 D337 D369 V611 A614V303-I305 HydrophobicContact CG2-CD1 4.43Å; V303-I305 HydrophobicContact CG2-CG1 4.23Å; V303-L334 HydrophobicContact CB-CD1 4.31Å; V303-L334 HydrophobicContact CG1-CB 4Å; V303-L334 HydrophobicContact CG1-CD1 4.28Å; V303-K335 PolarHBondContact N-O 3.39Å; V303-L336 HydrophobicContact CG1-CD1 3.95Å; V303-D337 PolarHBondContact O-N 3Å; V303-D369 HydrophobicContact CG2-CB 4.4Å; V303-V611 HydrophobicContact CG1-CG1 4.28Å; V303-A614 HydrophobicContact CG2-CB 3.48Å; V303-A614 VanDerWaalsContact CG2-CB 3.48Å
304R98.4Very high91.8Very high117 Ų11762.8 Ų62.844%0.44230%0.297SS..EExtended strand (participates in β ladder)trans-97.9122.9-178.4-61.4179.4-170.8141.95.3110.5I302 D337 D369 A370I302-R304 HydrophobicContact CG2-CG 4.17Å; R304-D337 WeakPolarHBondContact CA-O 3.2Å; R304-D337 HydrophobicContact CG-CB 4.12Å; R304-D369 WeakPolarHBondContact CB-OD2 3.33Å; R304-D369 PolarHBondContact N-OD2 3.22Å; R304-D369 WeakPolarHBondContact O-CA 3.38Å; R304-D369 WeakPolarHBondContact O-CB 3.36Å; R304-D369 PolarHBondContact O-N 3.47Å; R304-A370 PolarHBondContact O-N 3.2Å
305I98.4Very high91.5Very high0 Ų057.9 Ų57.90%029%0.288CS..EExtended strand (participates in β ladder)trans-125.8124.4179.8-52.8-174.9000109.6V303 L325 L336 D337 L338 S339 A370 V372 L610 V611V303-I305 HydrophobicContact CG2-CD1 4.43Å; V303-I305 HydrophobicContact CG2-CG1 4.23Å; I305-L325 HydrophobicContact CD1-CD2 3.88Å; I305-L325 HydrophobicContact CG2-CD1 4.47Å; I305-L325 HydrophobicContact CG2-CD2 4.48Å; I305-L336 HydrophobicContact CD1-CD1 3.81Å; I305-L336 HydrophobicContact CG1-CD1 4.09Å; I305-D337 PolarHBondContact N-O 2.84Å; I305-L338 HydrophobicContact CB-CD2 3.88Å; I305-L338 HydrophobicContact CG2-CD2 4.49Å; I305-S339 PolarHBondContact O-N 3.45Å; I305-A370 WeakPolarHBondContact CA-O 3.41Å; I305-A370 HydrophobicContact CG1-CB 4.25Å; I305-A370 HydrophobicContact CG2-CB 4.45Å; I305-V372 HydrophobicContact CG2-CG2 3.91Å; I305-L610 HydrophobicContact CD1-CD2 4.49Å; I305-V611 HydrophobicContact CD1-CG2 3.88Å
306A98.3Very high91.5Very high0 Ų057.5 Ų57.50%029%0.289CS..EExtended strand (participates in β ladder)trans-91132171.800000110.7S339 V341 L365 S368 A370 V371 V372A306-S339 CarbonylContact C-O 3.58Å; A306-S339 WeakPolarHBondContact CA-O 3.05Å; A306-V341 HydrophobicContact CB-CG2 4.18Å; A306-L365 HydrophobicContact CB-CD1 4.14Å; A306-S368 WeakPolarHBondContact CB-OG 3.42Å; A306-A370 PolarHBondContact N-O 3.33Å; A306-V371 HydrophobicContact CB-CG2 4.48Å; A306-V371 CarbonylContact O-C 3.53Å; A306-V371 WeakPolarHBondContact O-CA 3.26Å; A306-V372 PolarHBondContact O-N 2.99Å
307I98.2Very high91.7Very high0 Ų056 Ų560%028%0.282CS..EExtended strand (participates in β ladder)trans-105.7110.9171.2-58.8171000107.7G309 L321 L322 L325 S339 L340 V341 V372 P374I307-G309 PolarHBondContact O-N 3.49Å; I307-L321 HydrophobicContact CD1-CD2 3.99Å; I307-L321 HydrophobicContact CD1-CG 4.19Å; I307-L321 HydrophobicContact CG1-CD2 4.38Å; I307-L321 HydrophobicContact CG2-CD2 3.85Å; I307-L322 HydrophobicContact CD1-CD2 3.57Å; I307-L325 HydrophobicContact CD1-CD1 3.84Å; I307-L325 HydrophobicContact CG1-CD1 4.26Å; I307-S339 PolarHBondContact N-O 2.96Å; I307-L340 HydrophobicContact CB-CD2 3.85Å; I307-L340 HydrophobicContact CD1-CD2 3.91Å; I307-L340 HydrophobicContact CG1-CD2 4.4Å; I307-L340 HydrophobicContact CG2-CD2 4.21Å; I307-V341 PolarHBondContact O-N 2.95Å; I307-V372 WeakPolarHBondContact CA-O 3.11Å; I307-V372 HydrophobicContact CG1-CB 4.38Å; I307-P374 HydrophobicContact CG2-CG 4.03Å
308V98.1Very high92.1Very high0 Ų050.1 Ų50.10%026%0.255CS..EExtended strand (participates in β ladder)trans-93.195.6-178178.70000109.6V341 A343 L346 L365 V371 V372 V373 P374 K385 A388V308-V341 WeakPolarHBondContact CA-O 3.4Å; V308-V341 HydrophobicContact CG2-CB 4.25Å; V308-A343 HydrophobicContact CG1-CB 3.98Å; V308-L346 HydrophobicContact CG1-CD1 3.64Å; V308-L346 HydrophobicContact CG2-CD1 4.14Å; V308-L365 HydrophobicContact CG2-CD1 3.52Å; V308-V371 HydrophobicContact CG2-CG1 3.85Å; V308-V372 PolarHBondContact N-O 3.2Å; V308-V373 HydrophobicContact CB-CG2 4.15Å; V308-P374 VanDerWaalsContact O-CD 3.23Å; V308-P374 WeakPolarHBondContact O-CD 3.21Å; V308-K385 HydrophobicContact CG1-CG 4.37Å; V308-A388 HydrophobicContact CB-CB 4.39Å; V308-A388 HydrophobicContact CG1-CB 4.08Å; V308-A388 HydrophobicContact CG2-CB 3.98Å
309G95.9Very high92.3Very high0 Ų045.9 Ų45.90%023%0.232CC..EExtended strand (participates in β ladder)trans-128.8170.1-167.600000114.3I307 Y318 V341 A343I307-G309 PolarHBondContact O-N 3.49Å; G309-Y318 VanDerWaalsContact CA-OH 3.22Å; G309-Y318 WeakPolarHBondContact CA-OH 3.19Å; G309-V341 PolarHBondContact N-O 3.11Å; G309-A343 PolarHBondContact O-N 3.39Å
310K91.8Very high92.6Very high31 Ų3145.4 Ų45.414%0.13523%0.228CC..SBendtrans-91.7-35.1174.9175-179.2172.8-170.70113.2T312 Y318 F377 R380K310-T312 PolarHBondContact O-N 3.25Å; K310-Y318 PolarHBondContact N-OH 3.26Å; K310-F377 PolarHBondContact NZ-O 3.37Å; K310-R380 HydrophobicContact CD-CB 4.31Å; K310-R380 PolarHBondContact O-NH2 2.98Å
311Y87.7Confident93Very high19 Ų1940.6 Ų40.68%0.07519%0.194CC..  trans-97.237-173.5-55.2-82.9000113.5P55 F56 K313 A317 Y318P55-Y311 HydrophobicContact CB-CD1 3.94Å; P55-Y311 HydrophobicContact CB-CD2 4.35Å; P55-Y311 HydrophobicContact CB-CE1 4.17Å; P55-Y311 HydrophobicContact CB-CG 4.08Å; P55-Y311 HydrophobicContact CG-CD1 4.3Å; P55-Y311 HydrophobicContact CG-CD2 4.37Å; P55-Y311 HydrophobicContact CG-CE1 4.05Å; P55-Y311 HydrophobicContact CG-CE2 4.12Å; P55-Y311 HydrophobicContact CG-CG 4.49Å; F56-Y311 AromaticContact CD1-CD1 3.88Å; F56-Y311 HydrophobicContact CD1-CD1 3.88Å; F56-Y311 AromaticContact CD2-CD1 3.61Å; F56-Y311 HydrophobicContact CD2-CD1 3.61Å; F56-Y311 AromaticContact CD2-CE1 3.78Å; F56-Y311 HydrophobicContact CD2-CE1 3.78Å; F56-Y311 AromaticContact CE1-CD1 3.6Å; F56-Y311 HydrophobicContact CE1-CD1 3.6Å; F56-Y311 HydrophobicContact CE1-CG 4.22Å; F56-Y311 AromaticContact CE2-CD1 3.27Å; F56-Y311 HydrophobicContact CE2-CD1 3.27Å; F56-Y311 AromaticContact CE2-CE1 3.51Å; F56-Y311 HydrophobicContact CE2-CE1 3.51Å; F56-Y311 HydrophobicContact CE2-CG 4.44Å; F56-Y311 AromaticContact CG-CD1 3.91Å; F56-Y311 HydrophobicContact CG-CD1 3.91Å; F56-Y311 HydrophobicContact CG-CE1 4.44Å; F56-Y311 AromaticContact CZ-CD1 3.29Å; F56-Y311 HydrophobicContact CZ-CD1 3.29Å; F56-Y311 AromaticContact CZ-CE1 3.99Å; F56-Y311 HydrophobicContact CZ-CE1 3.99Å; F56-Y311 HydrophobicContact CZ-CG 4.09Å; Y311-K313 VanDerWaalsContact C-N 3.27Å; Y311-K313 PolarHBondContact O-N 2.98Å; Y311-A317 HydrophobicContact CG-CB 4.4Å; Y311-Y318 PolarHBondContact N-OH 2.97Å
312T86.6Confident93Very high27 Ų2737.9 Ų37.917%0.16618%0.183CC..THydrogen-bonded Turntrans-73-12.3-169.652.70000115.3K310 F314 Y318 L340 V341K310-T312 PolarHBondContact O-N 3.25Å; T312-F314 VanDerWaalsContact C-N 3.27Å; T312-F314 PolarHBondContact O-N 3.43Å; T312-Y318 HydrophobicContact CG2-CE2 4.41Å; T312-L340 HydrophobicContact CG2-CB 4.03Å; T312-V341 WeakPolarHBondContact CG2-O 3.47Å
313K84.6Confident93Very high180 Ų18035 Ų3578%0.78317%0.167SC*.THydrogen-bonded Turntrans-68-24.9179.3-65.6-173.2179.7-177.40113.5Y311Y311-K313 VanDerWaalsContact C-N 3.27Å; Y311-K313 PolarHBondContact O-N 2.98Å
314F80.7Confident93Very high114 Ų11434.9 Ų34.950%0.517%0.166SC..  trans-129.1119.8-179.3-62.8-86.6000109F56 T312 D316 A317F56-F314 AromaticContact CD1-CD2 3.66Å; F56-F314 HydrophobicContact CD1-CD2 3.66Å; F56-F314 HydrophobicContact CD1-CE2 4.09Å; F56-F314 HydrophobicContact CE1-CD2 4.25Å; T312-F314 VanDerWaalsContact C-N 3.27Å; T312-F314 PolarHBondContact O-N 3.43Å; F314-D316 PolarHBondContact O-N 2.78Å; F314-A317 WeakPolarHBondContact O-CB 3.2Å; F314-A317 PolarHBondContact O-N 2.6Å
315S82.5Confident92.9Very high62 Ų6229.3 Ų29.343%0.43415%0.145SC..G310 helixtrans-57.4-31.517948.40000112.9A317 Y318 L319S315-A317 PolarHBondContact O-N 2.86Å; S315-Y318 CarbonylContact O-C 3.1Å; S315-Y318 PolarHBondContact O-N 2.73Å; S315-L319 PolarHBondContact O-N 2.85Å
316D87.6Confident92.8Very high81 Ų8133.4 Ų33.443%0.43316%0.16SC..G310 helixtrans-70.4-18.9-172.4-62.7-0.7000112.5G59 E60 F314 Y318 L319G59-D316 WeakPolarHBondContact CA-O 3.31Å; E60-D316 PolarHBondContact N-O 3.35Å; F314-D316 PolarHBondContact O-N 2.78Å; D316-Y318 PolarHBondContact O-N 3.22Å; D316-L319 PolarHBondContact O-N 2.91Å
317A92Very high92.6Very high8 Ų833.4 Ų33.47%0.06616%0.16CC..G310 helixtrans-66.5-13.5171.400000113.4P55 Y311 F314 S315P55-A317 HydrophobicContact CB-CB 4.01Å; Y311-A317 HydrophobicContact CG-CB 4.4Å; F314-A317 WeakPolarHBondContact O-CB 3.2Å; F314-A317 PolarHBondContact O-N 2.6Å; S315-A317 PolarHBondContact O-N 2.86Å
318Y94.5Very high92.5Very high11 Ų1133.4 Ų33.44%0.04316%0.16CC..G310 helixtrans-129.923.7177.5-58.5-64.9000112.2G309 K310 Y311 T312 S315 D316 S320 L321 L322 L340 P374G309-Y318 VanDerWaalsContact CA-OH 3.22Å; G309-Y318 WeakPolarHBondContact CA-OH 3.19Å; K310-Y318 PolarHBondContact N-OH 3.26Å; Y311-Y318 PolarHBondContact N-OH 2.97Å; T312-Y318 HydrophobicContact CG2-CE2 4.41Å; S315-Y318 CarbonylContact O-C 3.1Å; S315-Y318 PolarHBondContact O-N 2.73Å; D316-Y318 PolarHBondContact O-N 3.22Å; Y318-S320 PolarHBondContact O-N 2.73Å; Y318-L321 HydrophobicContact CD1-CD2 4.4Å; Y318-L321 WeakPolarHBondContact O-CB 3.24Å; Y318-L321 PolarHBondContact O-N 3.01Å; Y318-L321 VanDerWaalsContact O-N 3.1Å; Y318-L322 VanDerWaalsContact O-CG 3.3Å; Y318-L322 WeakPolarHBondContact O-CG 3.42Å; Y318-L322 PolarHBondContact O-N 2.99Å; Y318-L340 HydrophobicContact CD2-CD2 4.37Å; Y318-P374 HydrophobicContact CD1-CB 4.18Å; Y318-P374 HydrophobicContact CD1-CG 4.08Å; Y318-P374 HydrophobicContact CE1-CB 3.93Å; Y318-P374 HydrophobicContact CE1-CG 3.48Å; Y318-P374 VanDerWaalsContact CE1-CG 3.48Å
319L93.8Very high92.4Very high25 Ų2533.5 Ų33.513%0.13116%0.161CC..Hα-helixtrans-55.4-49.2-169.6-175.963.4000112.9E60 L72 S315 D316 L321 L322 K323E60-L319 PolarHBondContact OE2-N 3.46Å; L72-L319 HydrophobicContact CD1-CD2 3.82Å; L72-L319 HydrophobicContact CD2-CD2 4.38Å; S315-L319 PolarHBondContact O-N 2.85Å; D316-L319 PolarHBondContact O-N 2.91Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.05Å; L319-L322 PolarHBondContact O-N 3.02Å; L319-K323 HydrophobicContact CD1-CG 4.45Å; L319-K323 VanDerWaalsContact O-CG 3.31Å; L319-K323 WeakPolarHBondContact O-CG 3.37Å; L319-K323 PolarHBondContact O-N 3.19Å
320S96.7Very high92.2Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-64.9-36.6179.8-71.40000111.6E60 R79 Y318 K323 A324E60-S320 WeakPolarHBondContact OE1-CA 3.42Å; E60-S320 WeakPolarHBondContact OE1-CB 3.38Å; E60-S320 PolarHBondContact OE1-N 2.87Å; E60-S320 PolarHBondContact OE1-OG 2.87Å; E60-S320 WeakPolarHBondContact OE2-CB 3.02Å; E60-S320 PolarHBondContact OE2-N 3.32Å; R79-S320 PolarHBondContact NH2-OG 2.81Å; Y318-S320 PolarHBondContact O-N 2.73Å; S320-K323 PolarHBondContact O-N 2.86Å; S320-A324 VanDerWaalsContact O-CB 3.28Å; S320-A324 WeakPolarHBondContact O-CB 3.35Å; S320-A324 PolarHBondContact O-N 3.23Å
321L97.3Very high92.1Very high3 Ų336 Ų362%0.01617%0.171CC..Hα-helixtrans-62.1-48.8173.717159.7000111.4I307 Y318 L319 K323 A324 L325 V372 P374 L402 E595 F607I307-L321 HydrophobicContact CD1-CD2 3.99Å; I307-L321 HydrophobicContact CD1-CG 4.19Å; I307-L321 HydrophobicContact CG1-CD2 4.38Å; I307-L321 HydrophobicContact CG2-CD2 3.85Å; Y318-L321 HydrophobicContact CD1-CD2 4.4Å; Y318-L321 WeakPolarHBondContact O-CB 3.24Å; Y318-L321 PolarHBondContact O-N 3.01Å; Y318-L321 VanDerWaalsContact O-N 3.1Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.05Å; L321-K323 VanDerWaalsContact C-N 3.28Å; L321-K323 PolarHBondContact O-N 2.82Å; L321-A324 PolarHBondContact O-N 3.11Å; L321-L325 HydrophobicContact CD1-CD1 4.01Å; L321-L325 HydrophobicContact CD1-CG 4.19Å; L321-L325 HydrophobicContact CG-CD1 4.26Å; L321-L325 PolarHBondContact O-N 2.91Å; L321-V372 HydrophobicContact CD1-CG1 4.11Å; L321-V372 HydrophobicContact CD2-CG1 4.17Å; L321-P374 HydrophobicContact CD2-CB 3.92Å; L321-P374 HydrophobicContact CD2-CG 4.49Å; L321-L402 HydrophobicContact CD1-CD1 3.98Å; L321-E595 HydrophobicContact CB-CB 4.5Å; L321-F607 HydrophobicContact CD1-CD1 4.29Å; L321-F607 HydrophobicContact CD1-CE1 3.32Å; L321-F607 HydrophobicContact CD1-CZ 3.81Å
322L96.3Very high92.3Very high33 Ų3335.7 Ų35.717%0.17317%0.171CC..Hα-helixtrans-59.3-41.4177.4-62.9175.5000111I307 Y318 L319 R326 L338 L340I307-L322 HydrophobicContact CD1-CD2 3.57Å; Y318-L322 VanDerWaalsContact O-CG 3.3Å; Y318-L322 WeakPolarHBondContact O-CG 3.42Å; Y318-L322 PolarHBondContact O-N 2.99Å; L319-L322 PolarHBondContact O-N 3.02Å; L322-R326 WeakPolarHBondContact O-CB 3.49Å; L322-R326 PolarHBondContact O-N 3.37Å; L322-R326 VanDerWaalsContact O-N 3.09Å; L322-L338 HydrophobicContact CB-CD1 4.5Å; L322-L338 HydrophobicContact CD2-CD1 3.51Å; L322-L340 HydrophobicContact CD2-CD2 4.41Å
323K95.6Very high92.6Very high22 Ų2238.3 Ų38.310%0.09618%0.184CC..Hα-helixtrans-66.7-42.3175.3-65.7-55.9-179.1-176.20112.2L253 L319 S320 L321 L325 R326 H327L253-K323 VanDerWaalsContact CD1-NZ 3.33Å; L319-K323 HydrophobicContact CD1-CG 4.45Å; L319-K323 VanDerWaalsContact O-CG 3.31Å; L319-K323 WeakPolarHBondContact O-CG 3.37Å; L319-K323 PolarHBondContact O-N 3.19Å; S320-K323 PolarHBondContact O-N 2.86Å; L321-K323 VanDerWaalsContact C-N 3.28Å; L321-K323 PolarHBondContact O-N 2.82Å; K323-L325 PolarHBondContact O-N 3.09Å; K323-R326 CarbonylContact O-C 3.21Å; K323-R326 WeakPolarHBondContact O-CB 3.44Å; K323-R326 PolarHBondContact O-N 3.24Å; K323-R326 VanDerWaalsContact O-N 3.15Å; K323-H327 PolarHBondContact O-CD2 3.45Å; K323-H327 PolarHBondContact O-N 2.79Å; K323-H327 PolarHBondContact O-ND1 3.48Å; K323-H327 PolarHBondContact O-NE2 3.23Å
324A97.6Very high93Very high0 Ų030 Ų300%015%0.148CC..Hα-helixtrans-64.5-41.4-179.600000112.5S320 L321 R326 H327 A328 E595 S598 F607S320-A324 VanDerWaalsContact O-CB 3.28Å; S320-A324 WeakPolarHBondContact O-CB 3.35Å; S320-A324 PolarHBondContact O-N 3.23Å; L321-A324 PolarHBondContact O-N 3.11Å; A324-R326 VanDerWaalsContact C-N 3.32Å; A324-H327 PolarHBondContact O-N 2.83Å; A324-A328 PolarHBondContact O-N 3.08Å; A324-E595 HydrophobicContact CB-CB 3.98Å; A324-S598 WeakPolarHBondContact CA-OG 3.24Å; A324-F607 HydrophobicContact CB-CD1 4.49Å; A324-F607 HydrophobicContact CB-CD2 3.63Å; A324-F607 HydrophobicContact CB-CE1 4.44Å; A324-F607 HydrophobicContact CB-CE2 3.55Å; A324-F607 HydrophobicContact CB-CG 4.1Å; A324-F607 HydrophobicContact CB-CZ 3.98Å
325L97.6Very high93.7Very high0 Ų030.2 Ų30.20%015%0.149CC..Hα-helixtrans-62.4-40.9171.7-72.1167.7000111.3I305 I307 L321 K323 A328 A329 L336 L338 V372 F607 L610I305-L325 HydrophobicContact CD1-CD2 3.88Å; I305-L325 HydrophobicContact CG2-CD1 4.47Å; I305-L325 HydrophobicContact CG2-CD2 4.48Å; I307-L325 HydrophobicContact CD1-CD1 3.84Å; I307-L325 HydrophobicContact CG1-CD1 4.26Å; L321-L325 HydrophobicContact CD1-CD1 4.01Å; L321-L325 HydrophobicContact CD1-CG 4.19Å; L321-L325 HydrophobicContact CG-CD1 4.26Å; L321-L325 PolarHBondContact O-N 2.91Å; K323-L325 PolarHBondContact O-N 3.09Å; L325-A328 PolarHBondContact O-N 2.9Å; L325-A329 WeakPolarHBondContact O-CB 3.33Å; L325-A329 PolarHBondContact O-N 3.38Å; L325-L336 HydrophobicContact CB-CD2 3.86Å; L325-L338 HydrophobicContact CD1-CD2 3.85Å; L325-V372 HydrophobicContact CD1-CG2 4.49Å; L325-V372 HydrophobicContact CD2-CG2 4.35Å; L325-F607 HydrophobicContact CD2-CD1 3.64Å; L325-F607 HydrophobicContact CD2-CE1 4.4Å; L325-F607 HydrophobicContact CD2-CG 4.47Å; L325-F607 HydrophobicContact CG-CD1 3.98Å; L325-F607 HydrophobicContact CG-CE1 4.43Å; L325-L610 HydrophobicContact CD2-CD2 4.12Å
326R95Very high94.3Very high85 Ų8529.2 Ų29.232%0.32114%0.139SC..Hα-helixtrans-62.6-43.1175.5-165169.8-169.7129.1-3.8112D252 M296 L322 K323 A324 A328 A329 I330 L336D252-R326 IonicContact OD2-CZ 2.78Å; D252-R326 IonicContact OD2-NE 2.71Å; D252-R326 PolarHBondContact OD2-NE 3.4Å; D252-R326 IonicContact OD2-NH1 2.72Å; D252-R326 IonicContact OD2-NH2 3.38Å; D252-R326 PolarHBondContact OD2-NH2 3.3Å; M296-R326 VanDerWaalsContact CE-NE 3.27Å; M296-R326 VanDerWaalsContact CE-NH2 3.28Å; L322-R326 WeakPolarHBondContact O-CB 3.49Å; L322-R326 PolarHBondContact O-N 3.37Å; L322-R326 VanDerWaalsContact O-N 3.09Å; K323-R326 CarbonylContact O-C 3.21Å; K323-R326 WeakPolarHBondContact O-CB 3.44Å; K323-R326 PolarHBondContact O-N 3.24Å; K323-R326 VanDerWaalsContact O-N 3.15Å; A324-R326 VanDerWaalsContact C-N 3.32Å; R326-A328 VanDerWaalsContact C-N 3.32Å; R326-A328 PolarHBondContact O-N 2.91Å; R326-A329 PolarHBondContact O-N 2.79Å; R326-I330 HydrophobicContact CG-CD1 4.15Å; R326-I330 WeakPolarHBondContact O-CD1 3.47Å; R326-I330 WeakPolarHBondContact O-CG1 3.21Å; R326-I330 PolarHBondContact O-N 2.84Å; R326-L336 HydrophobicContact CB-CD2 4.31Å
327H94.9Very high94.8Very high0 Ų028.8 Ų28.80%014%0.137CC..Hα-helixtrans-59.9-43.7175.3-53.6159.6000111.7Y254 K323 A324 I330 Y331 S598 R599 P603Y254-H327 AromaticContact CZ-NE2 3.65Å; Y254-H327 PolarHBondContact OH-CD2 3.25Å; Y254-H327 PolarHBondContact OH-NE2 3.49Å; K323-H327 PolarHBondContact O-CD2 3.45Å; K323-H327 PolarHBondContact O-N 2.79Å; K323-H327 PolarHBondContact O-ND1 3.48Å; K323-H327 PolarHBondContact O-NE2 3.23Å; A324-H327 PolarHBondContact O-N 2.83Å; H327-I330 PolarHBondContact O-N 3.45Å; H327-Y331 WeakPolarHBondContact O-CB 3.4Å; H327-Y331 PolarHBondContact O-N 3.44Å; H327-S598 PolarHBondContact CE1-O 3.35Å; H327-S598 PolarHBondContact ND1-OG 3.15Å; H327-R599 VanDerWaalsContact ND1-C 3.32Å; H327-R599 PolarHBondContact ND1-O 3.23Å; H327-P603 HydrophobicContact CB-CB 3.74Å
328A95.8Very high95Very high0 Ų031 Ų310%015%0.147CC..Hα-helixtrans-62.9-44.8176.700000111.8A324 L325 R326 I330 Y331 T332 F607 V608 V611A324-A328 PolarHBondContact O-N 3.08Å; L325-A328 PolarHBondContact O-N 2.9Å; R326-A328 VanDerWaalsContact C-N 3.32Å; R326-A328 PolarHBondContact O-N 2.91Å; A328-I330 PolarHBondContact O-N 3.33Å; A328-Y331 PolarHBondContact O-N 2.84Å; A328-T332 WeakPolarHBondContact O-CG2 3.47Å; A328-T332 PolarHBondContact O-N 2.74Å; A328-T332 PolarHBondContact O-OG1 3.44Å; A328-F607 VanDerWaalsContact CB-C 3.48Å; A328-F607 HydrophobicContact CB-CB 3.69Å; A328-V608 HydrophobicContact CB-CG2 4.01Å; A328-V611 HydrophobicContact CB-CB 4.42Å; A328-V611 HydrophobicContact CB-CG2 3.84Å
329A95.1Very high95Very high2 Ų232.4 Ų32.42%0.01716%0.158CC..Hα-helixtrans-59.9-46.5177.400000112.3L325 R326 Y331 T332 N333 L334 L336L325-A329 WeakPolarHBondContact O-CB 3.33Å; L325-A329 PolarHBondContact O-N 3.38Å; R326-A329 PolarHBondContact O-N 2.79Å; A329-Y331 PolarHBondContact O-N 2.98Å; A329-T332 CarbonylContact O-C 3.56Å; A329-T332 PolarHBondContact O-N 3.3Å; A329-T332 PolarHBondContact O-OG1 2.68Å; A329-N333 PolarHBondContact O-N 3.36Å; A329-L334 PolarHBondContact O-N 2.8Å; A329-L336 HydrophobicContact CB-CB 3.71Å; A329-L336 HydrophobicContact CB-CD1 4.4Å; A329-L336 HydrophobicContact CB-CD2 4.29Å; A329-L336 HydrophobicContact CB-CG 4.35Å
330I91.8Very high95.2Very high11 Ų1134.1 Ų34.16%0.05617%0.167CC..Hα-helixtrans-54.4-53.3173.9-68.7166.6000110.7Y254 L292 M296 R326 H327 A328 T332 N333Y254-I330 HydrophobicContact CD2-CD1 4.43Å; Y254-I330 HydrophobicContact CE2-CD1 4.28Å; L292-I330 HydrophobicContact CD1-CD1 4.4Å; L292-I330 HydrophobicContact CD1-CG2 4.24Å; L292-I330 HydrophobicContact CD2-CD1 4.05Å; L292-I330 HydrophobicContact CG-CD1 4.19Å; L292-I330 HydrophobicContact CG-CG2 3.89Å; M296-I330 HydrophobicContact CE-CD1 4.14Å; M296-I330 HydrophobicContact CG-CD1 3.78Å; M296-I330 HydrophobicContact CG-CG1 3.46Å; M296-I330 VanDerWaalsContact CG-CG1 3.46Å; M296-I330 HydrophobicContact SD-CD1 3.46Å; M296-I330 WeakPolarHBondContact SD-CD1 3.49Å; M296-I330 HydrophobicContact SD-CG1 3.9Å; R326-I330 HydrophobicContact CG-CD1 4.15Å; R326-I330 WeakPolarHBondContact O-CD1 3.47Å; R326-I330 WeakPolarHBondContact O-CG1 3.21Å; R326-I330 PolarHBondContact O-N 2.84Å; H327-I330 PolarHBondContact O-N 3.45Å; A328-I330 PolarHBondContact O-N 3.33Å; I330-T332 VanDerWaalsContact C-N 3.25Å; I330-T332 PolarHBondContact O-N 3.14Å; I330-N333 PolarHBondContact O-N 3.1Å
331Y91.2Very high95.2Very high72 Ų7234.4 Ų34.428%0.28217%0.169SC..Hα-helixtrans-60.4-36-178.3176.1-88.6000112.6H327 A328 A329 N333 P603 V608 Y621 L628 P630H327-Y331 WeakPolarHBondContact O-CB 3.4Å; H327-Y331 PolarHBondContact O-N 3.44Å; A328-Y331 PolarHBondContact O-N 2.84Å; A329-Y331 PolarHBondContact O-N 2.98Å; Y331-N333 VanDerWaalsContact C-N 3.31Å; Y331-P603 HydrophobicContact CD1-CG 4.46Å; Y331-P603 HydrophobicContact CD2-CG 3.86Å; Y331-P603 HydrophobicContact CG-CG 3.76Å; Y331-V608 HydrophobicContact CD1-CG1 3.86Å; Y331-V608 HydrophobicContact CD1-CG2 4.07Å; Y331-V608 HydrophobicContact CE1-CG1 3.85Å; Y331-Y621 HydrophobicContact CE1-CE2 4Å; Y331-Y621 PolarHBondContact OH-OH 2.92Å; Y331-L628 PolarHBondContact OH-O 2.85Å; Y331-P630 HydrophobicContact CE1-CG 4.3Å; Y331-P630 HydrophobicContact CE2-CG 3.99Å
332T91.6Very high95.2Very high14 Ų1435.3 Ų35.39%0.08618%0.176CC..THydrogen-bonded Turntrans-85.20.5177.261.20000114.6A328 A329 I330 V608 V611 L612 R617A328-T332 WeakPolarHBondContact O-CG2 3.47Å; A328-T332 PolarHBondContact O-N 2.74Å; A328-T332 PolarHBondContact O-OG1 3.44Å; A329-T332 CarbonylContact O-C 3.56Å; A329-T332 PolarHBondContact O-N 3.3Å; A329-T332 PolarHBondContact O-OG1 2.68Å; I330-T332 VanDerWaalsContact C-N 3.25Å; I330-T332 PolarHBondContact O-N 3.14Å; T332-V608 HydrophobicContact CG2-CG1 4.39Å; T332-V611 HydrophobicContact CG2-CB 4.49Å; T332-V611 HydrophobicContact CG2-CG1 3.99Å; T332-V611 WeakPolarHBondContact OG1-CG1 3.44Å; T332-L612 HydrophobicContact CG2-CD2 3.67Å; T332-L612 HydrophobicContact CG2-CG 3.79Å; T332-R617 PolarHBondContact O-NH1 3.47Å
333N91.7Very high95.2Very high81 Ų8133.8 Ų33.843%0.43317%0.167SC..THydrogen-bonded Turntrans54.648.3-175.4-16644.1000113A329 I330 Y331A329-N333 PolarHBondContact O-N 3.36Å; I330-N333 PolarHBondContact O-N 3.1Å; Y331-N333 VanDerWaalsContact C-N 3.31Å
334L94Very high95.3Very high6 Ų635.6 Ų35.63%0.03118%0.176CC..  trans-122.8146.3179.2-67.1173.5000110.7E301 V303 A329 V611E301-L334 HydrophobicContact CB-CD2 3.76Å; E301-L334 HydrophobicContact CG-CD2 3.79Å; V303-L334 HydrophobicContact CB-CD1 4.31Å; V303-L334 HydrophobicContact CG1-CB 4Å; V303-L334 HydrophobicContact CG1-CD1 4.28Å; A329-L334 PolarHBondContact O-N 2.8Å; L334-V611 HydrophobicContact CD1-CG1 3.66Å
335K95.2Very high95.3Very high118 Ų11838 Ų3851%0.51319%0.189SC..EExtended strand (participates in β ladder)trans-83.2121.6172.1-174.5171.5-178.3177.70108.8A299 E301 I302 V303A299-K335 HydrophobicContact CB-CB 4.4Å; E301-K335 PolarHBondContact O-N 3.28Å; I302-K335 CarbonylContact C-O 3.59Å; I302-K335 VanDerWaalsContact CA-O 3.27Å; I302-K335 WeakPolarHBondContact CA-O 3.2Å; I302-K335 HydrophobicContact CG1-CB 4.27Å; I302-K335 HydrophobicContact CG1-CD 4.22Å; I302-K335 HydrophobicContact CG1-CG 4.43Å; V303-K335 PolarHBondContact N-O 3.39Å
336L95.7Very high95.3Very high42 Ų4238.2 Ų38.222%0.2219%0.19CC..EExtended strand (participates in β ladder)trans-88.6127.8-176.8-174.663.7000111.3V303 I305 L325 R326 A329 L338V303-L336 HydrophobicContact CG1-CD1 3.95Å; I305-L336 HydrophobicContact CD1-CD1 3.81Å; I305-L336 HydrophobicContact CG1-CD1 4.09Å; L325-L336 HydrophobicContact CB-CD2 3.86Å; R326-L336 HydrophobicContact CB-CD2 4.31Å; A329-L336 HydrophobicContact CB-CB 3.71Å; A329-L336 HydrophobicContact CB-CD1 4.4Å; A329-L336 HydrophobicContact CB-CD2 4.29Å; A329-L336 HydrophobicContact CB-CG 4.35Å; L336-L338 HydrophobicContact CD1-CD2 3.72Å; L336-L338 HydrophobicContact CD1-CG 4.24Å; L336-L338 HydrophobicContact CD2-CD1 3.76Å; L336-L338 HydrophobicContact CD2-CD2 3.89Å; L336-L338 HydrophobicContact CD2-CG 3.78Å; L336-L338 HydrophobicContact CG-CD1 4.29Å; L336-L338 HydrophobicContact CG-CD2 3.8Å; L336-L338 HydrophobicContact CG-CG 3.74Å
337D96.6Very high95.4Very high72 Ų7236.3 Ų36.339%0.38519%0.185SC..EExtended strand (participates in β ladder)trans-115.7116.8169.4-175.814.3000109I302 V303 R304 I305I302-D337 HydrophobicContact CG2-CB 3.65Å; V303-D337 PolarHBondContact O-N 3Å; R304-D337 WeakPolarHBondContact CA-O 3.2Å; R304-D337 HydrophobicContact CG-CB 4.12Å; I305-D337 PolarHBondContact N-O 2.84Å
338L96.2Very high95.4Very high54 Ų5441.2 Ų41.228%0.28321%0.208SC..EExtended strand (participates in β ladder)trans-112.7129.5-173.5-67.8-179.6000110.8I305 L322 L325 L336I305-L338 HydrophobicContact CB-CD2 3.88Å; I305-L338 HydrophobicContact CG2-CD2 4.49Å; L322-L338 HydrophobicContact CB-CD1 4.5Å; L322-L338 HydrophobicContact CD2-CD1 3.51Å; L325-L338 HydrophobicContact CD1-CD2 3.85Å; L336-L338 HydrophobicContact CD1-CD2 3.72Å; L336-L338 HydrophobicContact CD1-CG 4.24Å; L336-L338 HydrophobicContact CD2-CD1 3.76Å; L336-L338 HydrophobicContact CD2-CD2 3.89Å; L336-L338 HydrophobicContact CD2-CG 3.78Å; L336-L338 HydrophobicContact CG-CD1 4.29Å; L336-L338 HydrophobicContact CG-CD2 3.8Å; L336-L338 HydrophobicContact CG-CG 3.74Å
339S96.2Very high95.4Very high40 Ų4046.5 Ų46.528%0.2824%0.236SC..EExtended strand (participates in β ladder)trans-117.3125.5171.5-64.90000110.9I305 A306 I307I305-S339 PolarHBondContact O-N 3.45Å; A306-S339 CarbonylContact C-O 3.58Å; A306-S339 WeakPolarHBondContact CA-O 3.05Å; I307-S339 PolarHBondContact N-O 2.96Å
340L96.5Very high95.4Very high62 Ų6247.4 Ų47.433%0.32524%0.242SC..EExtended strand (participates in β ladder)trans-87116.7170.3-62.4-177.4000109.1I307 T312 Y318 L322I307-L340 HydrophobicContact CB-CD2 3.85Å; I307-L340 HydrophobicContact CD1-CD2 3.91Å; I307-L340 HydrophobicContact CG1-CD2 4.4Å; I307-L340 HydrophobicContact CG2-CD2 4.21Å; T312-L340 HydrophobicContact CG2-CB 4.03Å; Y318-L340 HydrophobicContact CD2-CD2 4.37Å; L322-L340 HydrophobicContact CD2-CD2 4.41Å
341V97.1Very high95.6Very high5 Ų553 Ų533%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-107.3120.5178.6-179.40000108.7A306 I307 V308 G309 T312 A343 L346 A361 T364A306-V341 HydrophobicContact CB-CG2 4.18Å; I307-V341 PolarHBondContact O-N 2.95Å; V308-V341 WeakPolarHBondContact CA-O 3.4Å; V308-V341 HydrophobicContact CG2-CB 4.25Å; G309-V341 PolarHBondContact N-O 3.11Å; T312-V341 WeakPolarHBondContact CG2-O 3.47Å; V341-A343 PolarHBondContact O-N 3.27Å; V341-L346 HydrophobicContact CG1-CD1 4Å; V341-L346 HydrophobicContact CG1-CD2 4.31Å; V341-L346 HydrophobicContact CG1-CG 4.09Å; V341-A361 HydrophobicContact CG1-CB 3.84Å; V341-T364 HydrophobicContact CG2-CG2 3.67Å
342C96.6Very high95.9Very high23 Ų2355.7 Ų55.716%0.15528%0.28CS..EExtended strand (participates in β ladder)trans-66.5124.6174.9-173.60000109E344 D345C342-E344 VanDerWaalsContact C-N 3.26Å; C342-E344 PolarHBondContact O-N 3.05Å; C342-D345 HydrophobicContact CB-CB 4.26Å; C342-D345 VanDerWaalsContact CB-OD2 3.26Å; C342-D345 WeakPolarHBondContact CB-OD2 3.37Å; C342-D345 WeakPolarHBondContact O-CB 3.47Å; C342-D345 PolarHBondContact O-N 3.27Å; C342-D345 VanDerWaalsContact O-N 3.09Å
343A97.6Very high96.1Very high0 Ų060.5 Ų60.50%031%0.309CS..G310 helixtrans-62.9-34.2-178.600000112.3V308 G309 V341 D345 L346 G381 G384 K385V308-A343 HydrophobicContact CG1-CB 3.98Å; G309-A343 PolarHBondContact O-N 3.39Å; V341-A343 PolarHBondContact O-N 3.27Å; A343-D345 PolarHBondContact O-N 2.88Å; A343-L346 PolarHBondContact O-N 3.42Å; A343-G381 VanDerWaalsContact CB-O 3.29Å; A343-G381 WeakPolarHBondContact CB-O 3.33Å; A343-G384 VanDerWaalsContact O-CA 3.32Å; A343-G384 WeakPolarHBondContact O-CA 3.4Å; A343-K385 HydrophobicContact CB-CG 4.06Å
344E97Very high96.3Very high61 Ų6159.4 Ų59.429%0.28531%0.307SS..G310 helixtrans-62.6-29.2176.7-66.2168.28700111.8C342 L346 E347 T350 R380C342-E344 VanDerWaalsContact C-N 3.26Å; C342-E344 PolarHBondContact O-N 3.05Å; E344-L346 PolarHBondContact O-N 3.1Å; E344-E347 WeakPolarHBondContact O-CB 3.31Å; E344-E347 PolarHBondContact O-N 2.81Å; E344-E347 VanDerWaalsContact O-N 3.17Å; E344-T350 WeakPolarHBondContact O-CB 3.49Å; E344-T350 PolarHBondContact O-OG1 2.85Å; E344-R380 HydrophobicContact CG-CG 4.01Å; E344-R380 VanDerWaalsContact OE1-CD 3.31Å; E344-R380 WeakPolarHBondContact OE1-CD 3.4Å; E344-R380 WeakPolarHBondContact OE1-CG 3.32Å; E344-R380 IonicContact OE1-NE 3.08Å; E344-R380 VanDerWaalsContact OE2-CD 3.25Å; E344-R380 WeakPolarHBondContact OE2-CD 3.37Å; E344-R380 WeakPolarHBondContact OE2-CG 3.35Å; E344-R380 IonicContact OE2-CZ 2.98Å; E344-R380 IonicContact OE2-NE 3.93Å; E344-R380 PolarHBondContact OE2-NE 3.08Å; E344-R380 IonicContact OE2-NH2 3.83Å
345D97.5Very high96.4Very high51 Ų5161.8 Ų61.827%0.27332%0.323SS..G310 helixtrans-72.1-14.8177.7-61.3-18.7000112.4C342 A343 F358 A361C342-D345 HydrophobicContact CB-CB 4.26Å; C342-D345 VanDerWaalsContact CB-OD2 3.26Å; C342-D345 WeakPolarHBondContact CB-OD2 3.37Å; C342-D345 WeakPolarHBondContact O-CB 3.47Å; C342-D345 PolarHBondContact O-N 3.27Å; C342-D345 VanDerWaalsContact O-N 3.09Å; A343-D345 PolarHBondContact O-N 2.88Å; D345-F358 VanDerWaalsContact O-CA 3.26Å; D345-F358 WeakPolarHBondContact O-CA 3.36Å; D345-F358 WeakPolarHBondContact O-CD2 3.4Å; D345-A361 HydrophobicContact CB-CB 3.67Å
346L97.8Very high96.5Very high4 Ų462.2 Ų62.22%0.02133%0.331CS..G310 helixtrans-91.3-4.8174.7-62.9171.6000112.9V308 V341 A343 E344 A361 W362 L365 A388V308-L346 HydrophobicContact CG1-CD1 3.64Å; V308-L346 HydrophobicContact CG2-CD1 4.14Å; V341-L346 HydrophobicContact CG1-CD1 4Å; V341-L346 HydrophobicContact CG1-CD2 4.31Å; V341-L346 HydrophobicContact CG1-CG 4.09Å; A343-L346 PolarHBondContact O-N 3.42Å; E344-L346 PolarHBondContact O-N 3.1Å; L346-A361 HydrophobicContact CD2-CB 3.74Å; L346-A361 HydrophobicContact CG-CB 4.24Å; L346-W362 HydrophobicContact CD2-CD2 3.8Å; L346-W362 HydrophobicContact CD2-CE3 4.37Å; L346-W362 HydrophobicContact CD2-CG 3.91Å; L346-W362 HydrophobicContact CD2-CZ2 4.31Å; L346-L365 HydrophobicContact CD1-CD2 4.33Å; L346-L365 HydrophobicContact CD2-CD2 4.36Å; L346-A388 HydrophobicContact CD1-CB 4.05Å
347E97.1Very high96.6Very high45 Ų4561.4 Ų61.421%0.2133%0.33CS..SBendtrans-75.4143.6179.9-65.2-178.9-174.800111.7E344 N349 T350 F358 G381 D383E344-E347 WeakPolarHBondContact O-CB 3.31Å; E344-E347 PolarHBondContact O-N 2.81Å; E344-E347 VanDerWaalsContact O-N 3.17Å; E347-N349 PolarHBondContact O-N 3.37Å; E347-T350 WeakPolarHBondContact O-CB 3.1Å; E347-T350 PolarHBondContact O-N 3.39Å; E347-F358 VanDerWaalsContact O-CD2 3.31Å; E347-F358 WeakPolarHBondContact O-CD2 3.4Å; E347-F358 WeakPolarHBondContact O-CE2 3.07Å; E347-G381 WeakPolarHBondContact OE1-CA 3.28Å; E347-G381 PolarHBondContact OE1-N 3.4Å; E347-D383 HydrophobicContact CG-CB 4.13Å
348E95.6Very high96.7Very high103 Ų10358.9 Ų58.948%0.48132%0.316SS..Hα-helixtrans-59.4-32.1-177.6-177.949.8-135.900112.6T350 R351E348-T350 VanDerWaalsContact C-N 3.29Å; E348-T350 PolarHBondContact O-N 3.16Å; E348-R351 VanDerWaalsContact O-CB 3.23Å; E348-R351 WeakPolarHBondContact O-CB 3.43Å; E348-R351 PolarHBondContact O-N 3.37Å; E348-R351 IonicContact OE1-CZ 3.48Å; E348-R351 IonicContact OE1-NE 3.63Å; E348-R351 PolarHBondContact OE1-NE 3.32Å; E348-R351 IonicContact OE1-NH2 2.83Å; E348-R351 PolarHBondContact OE1-NH2 2.92Å; E348-R351 IonicContact OE2-CZ 3.2Å; E348-R351 IonicContact OE2-NE 3.61Å
349N95.1Very high96.7Very high110 Ų11061.4 Ų61.459%0.58833%0.326SS*.Hα-helixtrans-66.7-32.1177-15123.9000111.9E347 R351 I352 V353E347-N349 PolarHBondContact O-N 3.37Å; N349-R351 VanDerWaalsContact C-N 3.27Å; N349-R351 PolarHBondContact O-N 3.24Å; N349-I352 PolarHBondContact O-N 2.75Å; N349-I352 VanDerWaalsContact O-N 3.1Å; N349-V353 WeakPolarHBondContact O-CG2 3.36Å; N349-V353 PolarHBondContact O-N 2.97Å; N349-V353 VanDerWaalsContact O-N 3.08Å
350T96.2Very high96.8Very high22 Ų2265.1 Ų65.114%0.13534%0.339CS..Hα-helixtrans-69-26.5178.2-52.60000111.9E344 E347 E348 I352 V353 C354 F358E344-T350 WeakPolarHBondContact O-CB 3.49Å; E344-T350 PolarHBondContact O-OG1 2.85Å; E347-T350 WeakPolarHBondContact O-CB 3.1Å; E347-T350 PolarHBondContact O-N 3.39Å; E348-T350 VanDerWaalsContact C-N 3.29Å; E348-T350 PolarHBondContact O-N 3.16Å; T350-I352 PolarHBondContact O-N 3.16Å; T350-V353 PolarHBondContact O-N 3.47Å; T350-C354 HydrophobicContact CG2-CB 4.14Å; T350-C354 CarbonylContact O-C 3.6Å; T350-C354 WeakPolarHBondContact O-CA 3.22Å; T350-C354 PolarHBondContact O-N 2.94Å; T350-F358 HydrophobicContact CG2-CB 4.22Å
351R95.9Very high96.8Very high127 Ų12762.5 Ų62.548%0.47933%0.326SS..Hα-helixtrans-55.4-33.2170.3-169.8173.367.7149.1-0.5112.5E348 N349 F358E348-R351 VanDerWaalsContact O-CB 3.23Å; E348-R351 WeakPolarHBondContact O-CB 3.43Å; E348-R351 PolarHBondContact O-N 3.37Å; E348-R351 IonicContact OE1-CZ 3.48Å; E348-R351 IonicContact OE1-NE 3.63Å; E348-R351 PolarHBondContact OE1-NE 3.32Å; E348-R351 IonicContact OE1-NH2 2.83Å; E348-R351 PolarHBondContact OE1-NH2 2.92Å; E348-R351 IonicContact OE2-CZ 3.2Å; E348-R351 IonicContact OE2-NE 3.61Å; N349-R351 VanDerWaalsContact C-N 3.27Å; N349-R351 PolarHBondContact O-N 3.24Å; R351-F358 HydrophobicContact CB-CD1 3.72Å; R351-F358 HydrophobicContact CB-CD2 3.95Å; R351-F358 HydrophobicContact CB-CE1 3.81Å; R351-F358 HydrophobicContact CB-CE2 4Å; R351-F358 HydrophobicContact CB-CG 3.83Å; R351-F358 HydrophobicContact CB-CZ 3.94Å; R351-F358 HydrophobicContact CG-CD1 3.71Å; R351-F358 HydrophobicContact CG-CE1 3.67Å; R351-F358 HydrophobicContact CG-CG 4.32Å; R351-F358 HydrophobicContact CG-CZ 4.2Å
352I95.7Very high96.9Very high129 Ų12965.4 Ų65.466%0.66234%0.337SS*.Hα-helixtrans-88.9-45.9180-57.8172.1000110.6N349 T350N349-I352 PolarHBondContact O-N 2.75Å; N349-I352 VanDerWaalsContact O-N 3.1Å; T350-I352 PolarHBondContact O-N 3.16Å
353V96.4Very high97Very high116 Ų11669 Ų6970%0.70335%0.354SS*.Hα-helixtrans-76.3-40-173.1178.30000112.6N349 T350N349-V353 WeakPolarHBondContact O-CG2 3.36Å; N349-V353 PolarHBondContact O-N 2.97Å; N349-V353 VanDerWaalsContact O-N 3.08Å; T350-V353 PolarHBondContact O-N 3.47Å
354C96.4Very high96.9Very high57 Ų5770.8 Ų70.839%0.38537%0.365SS..  trans-146.275.8-178.8-1650000110.7T350 D356 A357 F358T350-C354 HydrophobicContact CG2-CB 4.14Å; T350-C354 CarbonylContact O-C 3.6Å; T350-C354 WeakPolarHBondContact O-CA 3.22Å; T350-C354 PolarHBondContact O-N 2.94Å; C354-D356 PolarHBondContact O-N 3.3Å; C354-A357 HydrophobicContact CB-CB 4.2Å; C354-A357 PolarHBondContact O-N 2.87Å; C354-F358 PolarHBondContact O-N 2.92Å; C354-F358 VanDerWaalsContact O-N 3.11Å
355P96.7Very high97Very high57 Ų5767.9 Ų67.937%0.3735%0.351SS..Hα-helixtrans-58.7-33.1-174.521.1-33.1000113.6F358 H359P355-F358 PolarHBondContact O-N 2.82Å; P355-H359 WeakPolarHBondContact O-CB 3.22Å; P355-H359 PolarHBondContact O-N 3.09Å
356D97.4Very high96.9Very high126 Ų12668.6 Ų68.667%0.67436%0.36SS*.Hα-helixtrans-62.6-50.4177.3-67.5-30.6000111.3C354 F358 H359 Q360C354-D356 PolarHBondContact O-N 3.3Å; D356-F358 VanDerWaalsContact C-N 3.31Å; D356-F358 PolarHBondContact O-N 3.27Å; D356-H359 PolarHBondContact O-N 3.46Å; D356-Q360 WeakPolarHBondContact O-CB 3.32Å; D356-Q360 WeakPolarHBondContact O-CG 3.16Å; D356-Q360 PolarHBondContact O-N 3.29Å
357A96.7Very high96.9Very high26 Ų2671 Ų7122%0.21538%0.378CS..Hα-helixtrans-61-42.8177.300000111.2C354 Q360 A361C354-A357 HydrophobicContact CB-CB 4.2Å; C354-A357 PolarHBondContact O-N 2.87Å; A357-Q360 PolarHBondContact O-N 2.98Å; A357-A361 VanDerWaalsContact O-CB 3.32Å; A357-A361 WeakPolarHBondContact O-CB 3.47Å; A357-A361 PolarHBondContact O-N 3.36Å
358F98.3Very high97Very high18 Ų1869.4 Ų69.48%0.07937%0.372CS..Hα-helixtrans-61.3-49178178.4-93.4000112.5D345 E347 T350 R351 C354 P355 D356 A361 W362D345-F358 VanDerWaalsContact O-CA 3.26Å; D345-F358 WeakPolarHBondContact O-CA 3.36Å; D345-F358 WeakPolarHBondContact O-CD2 3.4Å; E347-F358 VanDerWaalsContact O-CD2 3.31Å; E347-F358 WeakPolarHBondContact O-CD2 3.4Å; E347-F358 WeakPolarHBondContact O-CE2 3.07Å; T350-F358 HydrophobicContact CG2-CB 4.22Å; R351-F358 HydrophobicContact CB-CD1 3.72Å; R351-F358 HydrophobicContact CB-CD2 3.95Å; R351-F358 HydrophobicContact CB-CE1 3.81Å; R351-F358 HydrophobicContact CB-CE2 4Å; R351-F358 HydrophobicContact CB-CG 3.83Å; R351-F358 HydrophobicContact CB-CZ 3.94Å; R351-F358 HydrophobicContact CG-CD1 3.71Å; R351-F358 HydrophobicContact CG-CE1 3.67Å; R351-F358 HydrophobicContact CG-CG 4.32Å; R351-F358 HydrophobicContact CG-CZ 4.2Å; C354-F358 PolarHBondContact O-N 2.92Å; C354-F358 VanDerWaalsContact O-N 3.11Å; P355-F358 PolarHBondContact O-N 2.82Å; D356-F358 VanDerWaalsContact C-N 3.31Å; D356-F358 PolarHBondContact O-N 3.27Å; F358-A361 PolarHBondContact O-N 2.85Å; F358-W362 AromaticContact CD1-CD1 3.99Å; F358-W362 AromaticContact CD2-CD1 3.96Å; F358-W362 AromaticContact CD2-NE1 3.9Å; F358-W362 AromaticContact CE1-CD1 3.64Å; F358-W362 AromaticContact CE1-NE1 3.9Å; F358-W362 AromaticContact CE2-CD1 3.64Å; F358-W362 AromaticContact CE2-NE1 3.22Å; F358-W362 AromaticContact CZ-CD1 3.46Å; F358-W362 VanDerWaalsContact CZ-CD1 3.46Å; F358-W362 AromaticContact CZ-NE1 3.21Å; F358-W362 VanDerWaalsContact O-CD1 3.27Å; F358-W362 PolarHBondContact O-N 3Å; F358-W362 VanDerWaalsContact O-N 3.13Å
359H97.5Very high97.1Very high108 Ų10867.4 Ų67.450%0.536%0.364SS..Hα-helixtrans-68.4-36.7179.1-69.7-13.8000112.7P355 D356 L363P355-H359 WeakPolarHBondContact O-CB 3.22Å; P355-H359 PolarHBondContact O-N 3.09Å; D356-H359 PolarHBondContact O-N 3.46Å; H359-L363 VanDerWaalsContact O-CB 3.28Å; H359-L363 WeakPolarHBondContact O-CB 3.3Å; H359-L363 PolarHBondContact O-N 3.32Å
360Q97.4Very high97.3Very high118 Ų11862.1 Ų62.155%0.55134%0.336SS*.Hα-helixtrans-64.4-45.3174.5-70.4-59.6-28.700111.6D356 A357 W362 L363 T364D356-Q360 WeakPolarHBondContact O-CB 3.32Å; D356-Q360 WeakPolarHBondContact O-CG 3.16Å; D356-Q360 PolarHBondContact O-N 3.29Å; A357-Q360 PolarHBondContact O-N 2.98Å; Q360-W362 PolarHBondContact O-N 2.77Å; Q360-L363 PolarHBondContact O-N 3.06Å; Q360-T364 PolarHBondContact O-N 3.2Å; Q360-T364 PolarHBondContact O-OG1 2.83Å; Q360-T364 VanDerWaalsContact O-OG1 3.09Å
361A97.8Very high97.4Very high7 Ų761.1 Ų61.16%0.05833%0.329CS..Hα-helixtrans-58.2-46.6177.200000112.2V341 D345 L346 A357 F358 T364 L365V341-A361 HydrophobicContact CG1-CB 3.84Å; D345-A361 HydrophobicContact CB-CB 3.67Å; L346-A361 HydrophobicContact CD2-CB 3.74Å; L346-A361 HydrophobicContact CG-CB 4.24Å; A357-A361 VanDerWaalsContact O-CB 3.32Å; A357-A361 WeakPolarHBondContact O-CB 3.47Å; A357-A361 PolarHBondContact O-N 3.36Å; F358-A361 PolarHBondContact O-N 2.85Å; A361-T364 PolarHBondContact O-N 3.44Å; A361-L365 WeakPolarHBondContact O-CB 3.49Å; A361-L365 PolarHBondContact O-N 2.91Å
362W98.1Very high97.5Very high65 Ų6555 Ų5525%0.24631%0.307CS..Hα-helixtrans-67.6-35.1176.3-82106.1000113.3L346 F358 Q360 L365 S366 A387 F391L346-W362 HydrophobicContact CD2-CD2 3.8Å; L346-W362 HydrophobicContact CD2-CE3 4.37Å; L346-W362 HydrophobicContact CD2-CG 3.91Å; L346-W362 HydrophobicContact CD2-CZ2 4.31Å; F358-W362 AromaticContact CD1-CD1 3.99Å; F358-W362 AromaticContact CD2-CD1 3.96Å; F358-W362 AromaticContact CD2-NE1 3.9Å; F358-W362 AromaticContact CE1-CD1 3.64Å; F358-W362 AromaticContact CE1-NE1 3.9Å; F358-W362 AromaticContact CE2-CD1 3.64Å; F358-W362 AromaticContact CE2-NE1 3.22Å; F358-W362 AromaticContact CZ-CD1 3.46Å; F358-W362 VanDerWaalsContact CZ-CD1 3.46Å; F358-W362 AromaticContact CZ-NE1 3.21Å; F358-W362 VanDerWaalsContact O-CD1 3.27Å; F358-W362 PolarHBondContact O-N 3Å; F358-W362 VanDerWaalsContact O-N 3.13Å; Q360-W362 PolarHBondContact O-N 2.77Å; W362-L365 HydrophobicContact CE3-CD2 3.9Å; W362-L365 HydrophobicContact CH2-CD2 4.4Å; W362-L365 HydrophobicContact CZ3-CD2 3.68Å; W362-L365 PolarHBondContact O-N 2.86Å; W362-S366 VanDerWaalsContact O-CB 3.27Å; W362-S366 WeakPolarHBondContact O-CB 3.26Å; W362-S366 PolarHBondContact O-N 3.16Å; W362-S366 PolarHBondContact O-OG 3.08Å; W362-A387 HydrophobicContact CH2-CB 4.07Å; W362-A387 HydrophobicContact CZ2-CB 3.94Å; W362-F391 HydrophobicContact CH2-CB 4.42Å; W362-F391 HydrophobicContact CZ3-CB 4Å; W362-F391 HydrophobicContact CZ3-CD2 4.13Å; W362-F391 HydrophobicContact CZ3-CG 4.13Å
363L97.8Very high97.6Very high99 Ų9948.9 Ų48.952%0.51828%0.275SS..Hα-helixtrans-63.7-46174.5179.763.2000111.1H359 Q360 S366 S367H359-L363 VanDerWaalsContact O-CB 3.28Å; H359-L363 WeakPolarHBondContact O-CB 3.3Å; H359-L363 PolarHBondContact O-N 3.32Å; Q360-L363 PolarHBondContact O-N 3.06Å; L363-S366 PolarHBondContact O-OG 3.18Å; L363-S367 VanDerWaalsContact O-CB 3.31Å; L363-S367 WeakPolarHBondContact O-CB 3.21Å; L363-S367 PolarHBondContact O-N 3.05Å; L363-S367 VanDerWaalsContact O-N 3.08Å; L363-S367 PolarHBondContact O-OG 3.19Å
364T97.4Very high97.7Very high37 Ų3743.5 Ų43.523%0.22724%0.243CC..Hα-helixtrans-62.5-46.1175.7-58.10000111.6V341 Q360 A361 S367 S368V341-T364 HydrophobicContact CG2-CG2 3.67Å; Q360-T364 PolarHBondContact O-N 3.2Å; Q360-T364 PolarHBondContact O-OG1 2.83Å; Q360-T364 VanDerWaalsContact O-OG1 3.09Å; A361-T364 PolarHBondContact O-N 3.44Å; T364-S367 PolarHBondContact O-N 2.83Å; T364-S367 PolarHBondContact O-OG 3.37Å; T364-S368 PolarHBondContact O-N 2.98Å; T364-S368 PolarHBondContact O-OG 2.88Å
365L97.3Very high97.5Very high0 Ų041.6 Ų41.60%023%0.232CC..Hα-helixtrans-62-46.2178.8-170.375.8000111.9A306 V308 L346 A361 W362 S367 S368 V371 A388 F391A306-L365 HydrophobicContact CB-CD1 4.14Å; V308-L365 HydrophobicContact CG2-CD1 3.52Å; L346-L365 HydrophobicContact CD1-CD2 4.33Å; L346-L365 HydrophobicContact CD2-CD2 4.36Å; A361-L365 WeakPolarHBondContact O-CB 3.49Å; A361-L365 PolarHBondContact O-N 2.91Å; W362-L365 HydrophobicContact CE3-CD2 3.9Å; W362-L365 HydrophobicContact CH2-CD2 4.4Å; W362-L365 HydrophobicContact CZ3-CD2 3.68Å; W362-L365 PolarHBondContact O-N 2.86Å; L365-S367 VanDerWaalsContact C-N 3.33Å; L365-S367 PolarHBondContact O-N 3.26Å; L365-S368 PolarHBondContact O-N 3.26Å; L365-V371 HydrophobicContact CD1-CB 4.42Å; L365-V371 HydrophobicContact CD1-CG1 3.85Å; L365-V371 HydrophobicContact CD1-CG2 3.61Å; L365-V371 HydrophobicContact CG-CG2 4.39Å; L365-A388 HydrophobicContact CD1-CB 4.32Å; L365-A388 HydrophobicContact CD2-CB 3.98Å; L365-F391 HydrophobicContact CD2-CB 4.49Å; L365-F391 HydrophobicContact CD2-CD1 3.97Å; L365-F391 HydrophobicContact CD2-CG 4.3Å; L365-F391 HydrophobicContact CG-CD1 4.19Å; L365-F391 HydrophobicContact CG-CE1 4.36Å
366S97Very high97.2Very high66 Ų6639.3 Ų39.346%0.46222%0.219SC..Hα-helixtrans-74.2-20.6-176.459.30000114.5W362 L363W362-S366 VanDerWaalsContact O-CB 3.27Å; W362-S366 WeakPolarHBondContact O-CB 3.26Å; W362-S366 PolarHBondContact O-N 3.16Å; W362-S366 PolarHBondContact O-OG 3.08Å; L363-S366 PolarHBondContact O-OG 3.18Å
367S97.4Very high96.7Very high56 Ų5636.3 Ų36.339%0.39220%0.2SC..THydrogen-bonded Turntrans-92.9-1.917659.10000114.2L363 T364 L365L363-S367 VanDerWaalsContact O-CB 3.31Å; L363-S367 WeakPolarHBondContact O-CB 3.21Å; L363-S367 PolarHBondContact O-N 3.05Å; L363-S367 VanDerWaalsContact O-N 3.08Å; L363-S367 PolarHBondContact O-OG 3.19Å; T364-S367 PolarHBondContact O-N 2.83Å; T364-S367 PolarHBondContact O-OG 3.37Å; L365-S367 VanDerWaalsContact C-N 3.33Å; L365-S367 PolarHBondContact O-N 3.26Å
368S98.1Very high96.4Very high11 Ų1136.4 Ų36.48%0.07720%0.203CC..  trans-85144.2177.9-64.20000111.7A306 T364 L365 A370A306-S368 WeakPolarHBondContact CB-OG 3.42Å; T364-S368 PolarHBondContact O-N 2.98Å; T364-S368 PolarHBondContact O-OG 2.88Å; L365-S368 PolarHBondContact O-N 3.26Å; S368-A370 VanDerWaalsContact C-N 3.34Å
369D98.3Very high96.2Very high60 Ų6041.4 Ų41.432%0.32123%0.227SC..SBendtrans-79.5-20.9178.3-55.3-56.9000112.2V303 R304 P398 A614V303-D369 HydrophobicContact CG2-CB 4.4Å; R304-D369 WeakPolarHBondContact CB-OD2 3.33Å; R304-D369 PolarHBondContact N-OD2 3.22Å; R304-D369 WeakPolarHBondContact O-CA 3.38Å; R304-D369 WeakPolarHBondContact O-CB 3.36Å; R304-D369 PolarHBondContact O-N 3.47Å; D369-P398 VanDerWaalsContact O-CD 3.32Å; D369-P398 WeakPolarHBondContact O-CD 3.28Å; D369-A614 HydrophobicContact CB-CB 3.89Å
370A98.6Very high96Very high0 Ų041.2 Ų41.20%022%0.222CC..EExtended strand (participates in β ladder)trans-152.9162174.200000112.2R304 I305 A306 S368 P398 L610 A614R304-A370 PolarHBondContact O-N 3.2Å; I305-A370 WeakPolarHBondContact CA-O 3.41Å; I305-A370 HydrophobicContact CG1-CB 4.25Å; I305-A370 HydrophobicContact CG2-CB 4.45Å; A306-A370 PolarHBondContact N-O 3.33Å; S368-A370 VanDerWaalsContact C-N 3.34Å; A370-P398 CarbonylContact C-O 3.24Å; A370-P398 VanDerWaalsContact CA-O 3.29Å; A370-P398 WeakPolarHBondContact CA-O 3.34Å; A370-P398 HydrophobicContact CB-CB 3.9Å; A370-L610 HydrophobicContact CB-CD1 3.86Å; A370-L610 HydrophobicContact CB-CD2 4.47Å; A370-L610 HydrophobicContact CB-CG 4.01Å; A370-A614 HydrophobicContact CB-CB 3.88Å
371V98.7Very high95.9Very high0 Ų035.6 Ų35.60%020%0.196CC..EExtended strand (participates in β ladder)trans-129.6136.1179.4-178.50000110.7A306 V308 L365 C392 V397 P398 F399 L400A306-V371 HydrophobicContact CB-CG2 4.48Å; A306-V371 CarbonylContact O-C 3.53Å; A306-V371 WeakPolarHBondContact O-CA 3.26Å; V308-V371 HydrophobicContact CG2-CG1 3.85Å; L365-V371 HydrophobicContact CD1-CB 4.42Å; L365-V371 HydrophobicContact CD1-CG1 3.85Å; L365-V371 HydrophobicContact CD1-CG2 3.61Å; L365-V371 HydrophobicContact CG-CG2 4.39Å; V371-C392 VanDerWaalsContact CB-SG 3.53Å; V371-C392 VanDerWaalsContact CG2-SG 3.54Å; V371-V397 HydrophobicContact CG2-CG1 4.14Å; V371-P398 PolarHBondContact N-O 2.88Å; V371-F399 WeakPolarHBondContact O-CA 3.44Å; V371-L400 PolarHBondContact O-N 3.5Å
372V98.7Very high95.8Very high0 Ų035.5 Ų35.50%020%0.195CC..EExtended strand (participates in β ladder)trans-114.3130.9169.7-176.40000109.4I305 A306 I307 V308 L321 L325 L400 L402 L610I305-V372 HydrophobicContact CG2-CG2 3.91Å; A306-V372 PolarHBondContact O-N 2.99Å; I307-V372 WeakPolarHBondContact CA-O 3.11Å; I307-V372 HydrophobicContact CG1-CB 4.38Å; V308-V372 PolarHBondContact N-O 3.2Å; L321-V372 HydrophobicContact CD1-CG1 4.11Å; L321-V372 HydrophobicContact CD2-CG1 4.17Å; L325-V372 HydrophobicContact CD1-CG2 4.49Å; L325-V372 HydrophobicContact CD2-CG2 4.35Å; V372-L400 VanDerWaalsContact CA-O 3.31Å; V372-L400 WeakPolarHBondContact CA-O 3.35Å; V372-L400 HydrophobicContact CG2-CB 4.4Å; V372-L402 HydrophobicContact CG1-CD1 4.16Å; V372-L402 HydrophobicContact CG1-CG 4.42Å; V372-L610 HydrophobicContact CG2-CD2 3.43Å; V372-L610 VanDerWaalsContact CG2-CD2 3.43Å
373V98.5Very high95.8Very high0 Ų036.9 Ų36.90%021%0.207CC..EExtended strand (participates in β ladder)trans-110.5105.8167.7176.50000107.9V308 K385 I389 F399 L400 L402V308-V373 HydrophobicContact CB-CG2 4.15Å; V373-K385 HydrophobicContact CG1-CB 4.08Å; V373-K385 HydrophobicContact CG1-CD 3.64Å; V373-K385 HydrophobicContact CG1-CG 3.77Å; V373-I389 HydrophobicContact CG2-CD1 4.48Å; V373-I389 HydrophobicContact CG2-CG1 4.03Å; V373-F399 HydrophobicContact CB-CE2 3.92Å; V373-F399 HydrophobicContact CB-CZ 4.38Å; V373-F399 HydrophobicContact CG2-CE2 3.69Å; V373-F399 HydrophobicContact CG2-CZ 4.49Å; V373-L400 PolarHBondContact N-O 3.19Å; V373-L402 PolarHBondContact O-N 3.15Å
374P97.3Very high95.8Very high3 Ų332.1 Ų32.12%0.01918%0.182CC..  trans-78.3176.5-176.134-34.4000112.5I307 V308 Y318 L321 L402I307-P374 HydrophobicContact CG2-CG 4.03Å; V308-P374 VanDerWaalsContact O-CD 3.23Å; V308-P374 WeakPolarHBondContact O-CD 3.21Å; Y318-P374 HydrophobicContact CD1-CB 4.18Å; Y318-P374 HydrophobicContact CD1-CG 4.08Å; Y318-P374 HydrophobicContact CE1-CB 3.93Å; Y318-P374 HydrophobicContact CE1-CG 3.48Å; Y318-P374 VanDerWaalsContact CE1-CG 3.48Å; L321-P374 HydrophobicContact CD2-CB 3.92Å; L321-P374 HydrophobicContact CD2-CG 4.49Å; P374-L402 CarbonylContact C-O 3.58Å; P374-L402 VanDerWaalsContact C-O 3.24Å
375G92Very high95.8Very high16 Ų1630.5 Ų30.517%0.16517%0.172CC..  trans-62.6164.5170.600000113L402G375-L402 WeakPolarHBondContact CA-O 3.46Å; G375-L402 PolarHBondContact N-O 3.09Å
376G90.3Very high95.9Very high9 Ų931.1 Ų31.19%0.09318%0.175CC..  trans-178.9173.6176.900000111.2
377F88.5Confident95.9Very high63 Ų6329.3 Ų29.328%0.27616%0.164SC..  trans-128.7144178.4-63.7-88.8000110.8K310 M452K310-F377 PolarHBondContact NZ-O 3.37Å; F377-M452 HydrophobicContact CE1-CE 4.25Å; F377-M452 HydrophobicContact CZ-CE 4.41Å
378G90.1Very high96Very high28 Ų2826.6 Ų26.629%0.28915%0.145SC..SBendtrans76.1166.2176.800000114.4R380 E427 F428G378-R380 VanDerWaalsContact C-N 3.32Å; G378-R380 PolarHBondContact O-N 3.27Å; G378-E427 PolarHBondContact N-OE1 3.33Å; G378-F428 VanDerWaalsContact C-CE1 3.47Å
379Q92.9Very high96Very high124 Ų12426.1 Ų26.158%0.57914%0.141SC*.SBendtrans-70.4-19.6-167.3-169.8174.811.600115.3G381 V382 F428Q379-G381 PolarHBondContact O-N 3.47Å; Q379-V382 VanDerWaalsContact O-CB 3.32Å; Q379-V382 WeakPolarHBondContact O-CB 3.34Å; Q379-V382 WeakPolarHBondContact O-CG2 3.3Å; Q379-V382 PolarHBondContact O-N 3.33Å; Q379-V382 VanDerWaalsContact O-N 3.09Å; Q379-F428 HydrophobicContact CB-CD1 3.85Å; Q379-F428 HydrophobicContact CB-CG 4.4Å; Q379-F428 HydrophobicContact CG-CB 4.19Å; Q379-F428 HydrophobicContact CG-CD1 4.31Å; Q379-F428 HydrophobicContact CG-CG 4.38Å
380R93.4Very high96Very high104 Ų10428.7 Ų28.739%0.39215%0.146SC..THydrogen-bonded Turntrans-60.3126.2-174-166.5-178.987.8-157.81.8112K310 E344 G378 V382K310-R380 HydrophobicContact CD-CB 4.31Å; K310-R380 PolarHBondContact O-NH2 2.98Å; E344-R380 HydrophobicContact CG-CG 4.01Å; E344-R380 VanDerWaalsContact OE1-CD 3.31Å; E344-R380 WeakPolarHBondContact OE1-CD 3.4Å; E344-R380 WeakPolarHBondContact OE1-CG 3.32Å; E344-R380 IonicContact OE1-NE 3.08Å; E344-R380 VanDerWaalsContact OE2-CD 3.25Å; E344-R380 WeakPolarHBondContact OE2-CD 3.37Å; E344-R380 WeakPolarHBondContact OE2-CG 3.35Å; E344-R380 IonicContact OE2-CZ 2.98Å; E344-R380 IonicContact OE2-NE 3.93Å; E344-R380 PolarHBondContact OE2-NE 3.08Å; E344-R380 IonicContact OE2-NH2 3.83Å; G378-R380 VanDerWaalsContact C-N 3.32Å; G378-R380 PolarHBondContact O-N 3.27Å; R380-V382 VanDerWaalsContact C-N 3.28Å; R380-V382 PolarHBondContact O-N 3Å
381G95Very high95.9Very high0 Ų030.4 Ų30.40%015%0.154CC..THydrogen-bonded Turntrans72.416.7-179.900000113.6A343 E347 Q379 K385A343-G381 VanDerWaalsContact CB-O 3.29Å; A343-G381 WeakPolarHBondContact CB-O 3.33Å; E347-G381 WeakPolarHBondContact OE1-CA 3.28Å; E347-G381 PolarHBondContact OE1-N 3.4Å; Q379-G381 PolarHBondContact O-N 3.47Å; G381-K385 VanDerWaalsContact O-CG 3.29Å; G381-K385 WeakPolarHBondContact O-CG 3.49Å; G381-K385 PolarHBondContact O-N 2.84Å; G381-K385 PolarHBondContact O-NZ 3.33Å
382V96.9Very high95.9Very high5 Ų530.4 Ų30.43%0.0315%0.154CC..Hα-helixtrans-71.8-44.4176.3167.80000110.3Q379 R380 G384 K385 L386 F428Q379-V382 VanDerWaalsContact O-CB 3.32Å; Q379-V382 WeakPolarHBondContact O-CB 3.34Å; Q379-V382 WeakPolarHBondContact O-CG2 3.3Å; Q379-V382 PolarHBondContact O-N 3.33Å; Q379-V382 VanDerWaalsContact O-N 3.09Å; R380-V382 VanDerWaalsContact C-N 3.28Å; R380-V382 PolarHBondContact O-N 3Å; V382-G384 VanDerWaalsContact C-N 3.32Å; V382-G384 PolarHBondContact O-N 2.87Å; V382-K385 WeakPolarHBondContact O-CB 3.39Å; V382-K385 PolarHBondContact O-N 3.42Å; V382-L386 HydrophobicContact CG1-CD1 4.17Å; V382-L386 HydrophobicContact CG1-CG 4.31Å; V382-L386 WeakPolarHBondContact O-CG 3.43Å; V382-L386 PolarHBondContact O-N 3.46Å; V382-F428 HydrophobicContact CG1-CD2 4.19Å; V382-F428 HydrophobicContact CG1-CE2 4.13Å; V382-F428 HydrophobicContact CG2-CD2 4.21Å; V382-F428 HydrophobicContact CG2-CE1 4.1Å; V382-F428 HydrophobicContact CG2-CE2 3.77Å; V382-F428 HydrophobicContact CG2-CZ 3.72Å
383D97.1Very high95.8Very high93 Ų9331.3 Ų31.350%0.49716%0.157SC..Hα-helixtrans-63.1-38.8-178.3-71.6-30.7000112E347 L386 A387E347-D383 HydrophobicContact CG-CB 4.13Å; D383-L386 PolarHBondContact O-N 3.13Å; D383-A387 PolarHBondContact O-N 2.92Å
384G97.8Very high95.7Very high0 Ų035.3 Ų35.30%018%0.176CC..Hα-helixtrans-66.4-34.6173.200000114A343 V382 A387 A388A343-G384 VanDerWaalsContact O-CA 3.32Å; A343-G384 WeakPolarHBondContact O-CA 3.4Å; V382-G384 VanDerWaalsContact C-N 3.32Å; V382-G384 PolarHBondContact O-N 2.87Å; G384-A387 PolarHBondContact O-N 2.85Å; G384-A388 PolarHBondContact O-N 2.93Å
385K98.2Very high95.5Very high3 Ų343.6 Ų43.61%0.01321%0.207CC..Hα-helixtrans-64-45.7170.7-71.4177-163.5850110.8V308 A343 V373 G381 V382 A387 A388 I389 L404V308-K385 HydrophobicContact CG1-CG 4.37Å; A343-K385 HydrophobicContact CB-CG 4.06Å; V373-K385 HydrophobicContact CG1-CB 4.08Å; V373-K385 HydrophobicContact CG1-CD 3.64Å; V373-K385 HydrophobicContact CG1-CG 3.77Å; G381-K385 VanDerWaalsContact O-CG 3.29Å; G381-K385 WeakPolarHBondContact O-CG 3.49Å; G381-K385 PolarHBondContact O-N 2.84Å; G381-K385 PolarHBondContact O-NZ 3.33Å; V382-K385 WeakPolarHBondContact O-CB 3.39Å; V382-K385 PolarHBondContact O-N 3.42Å; K385-A387 VanDerWaalsContact C-N 3.28Å; K385-A387 PolarHBondContact O-N 2.94Å; K385-A388 PolarHBondContact O-N 3.05Å; K385-I389 VanDerWaalsContact O-CG1 3.25Å; K385-I389 WeakPolarHBondContact O-CG1 3.5Å; K385-I389 PolarHBondContact O-N 3.3Å; K385-L404 HydrophobicContact CD-CD2 4.32Å
386L98.3Very high95.7Very high13 Ų1343.4 Ų43.47%0.06821%0.206CC..Hα-helixtrans-59.4-40.7177.1-64.3175.8000111.3V382 D383 I389 R390 C408 I411 E412 R415V382-L386 HydrophobicContact CG1-CD1 4.17Å; V382-L386 HydrophobicContact CG1-CG 4.31Å; V382-L386 WeakPolarHBondContact O-CG 3.43Å; V382-L386 PolarHBondContact O-N 3.46Å; D383-L386 PolarHBondContact O-N 3.13Å; L386-I389 PolarHBondContact O-N 3.24Å; L386-R390 WeakPolarHBondContact O-CB 3.43Å; L386-R390 PolarHBondContact O-N 2.52Å; L386-C408 HydrophobicContact CD2-CB 3.89Å; L386-C408 WeakPolarHBondContact CD2-O 3.13Å; L386-I411 HydrophobicContact CD1-CG2 4.07Å; L386-I411 HydrophobicContact CD2-CB 3.96Å; L386-I411 HydrophobicContact CD2-CG2 3.82Å; L386-E412 HydrophobicContact CD2-CB 3.99Å; L386-R415 VanDerWaalsContact CD1-NH1 3.26Å
387A98.1Very high96Very high27 Ų2744.1 Ų44.122%0.22321%0.208CC..Hα-helixtrans-62.8-43.7175.500000112.5W362 D383 G384 K385 R390 F391W362-A387 HydrophobicContact CH2-CB 4.07Å; W362-A387 HydrophobicContact CZ2-CB 3.94Å; D383-A387 PolarHBondContact O-N 2.92Å; G384-A387 PolarHBondContact O-N 2.85Å; K385-A387 VanDerWaalsContact C-N 3.28Å; K385-A387 PolarHBondContact O-N 2.94Å; A387-R390 PolarHBondContact O-N 2.94Å; A387-F391 PolarHBondContact O-N 3.44Å
388A98.5Very high96.5Very high0 Ų041.5 Ų41.50%020%0.197CC..Hα-helixtrans-63.7-43.7175.800000112.5V308 L346 L365 G384 K385 R390 F391 C392V308-A388 HydrophobicContact CB-CB 4.39Å; V308-A388 HydrophobicContact CG1-CB 4.08Å; V308-A388 HydrophobicContact CG2-CB 3.98Å; L346-A388 HydrophobicContact CD1-CB 4.05Å; L365-A388 HydrophobicContact CD1-CB 4.32Å; L365-A388 HydrophobicContact CD2-CB 3.98Å; G384-A388 PolarHBondContact O-N 2.93Å; K385-A388 PolarHBondContact O-N 3.05Å; A388-R390 PolarHBondContact O-N 2.81Å; A388-F391 WeakPolarHBondContact O-CB 3.27Å; A388-F391 PolarHBondContact O-N 3.22Å; A388-C392 PolarHBondContact O-N 2.84Å; A388-C392 PolarHBondContact O-SG 3.44Å; A388-C392 VanDerWaalsContact O-SG 3.34Å
389I98.5Very high96.9Very high0 Ų040.2 Ų40.20%018%0.184CC..Hα-helixtrans-64-43.6179.2-65.1170.1000110.8V373 K385 L386 F391 C392 R393 F399 C408 A409 E412 F587V373-I389 HydrophobicContact CG2-CD1 4.48Å; V373-I389 HydrophobicContact CG2-CG1 4.03Å; K385-I389 VanDerWaalsContact O-CG1 3.25Å; K385-I389 WeakPolarHBondContact O-CG1 3.5Å; K385-I389 PolarHBondContact O-N 3.3Å; L386-I389 PolarHBondContact O-N 3.24Å; I389-F391 VanDerWaalsContact C-N 3.32Å; I389-F391 PolarHBondContact O-N 3.21Å; I389-C392 PolarHBondContact O-N 3.27Å; I389-R393 WeakPolarHBondContact O-CB 3.47Å; I389-R393 PolarHBondContact O-N 3.24Å; I389-F399 HydrophobicContact CD1-CE2 4.4Å; I389-F399 HydrophobicContact CD1-CZ 4.05Å; I389-F399 HydrophobicContact CG1-CE2 3.68Å; I389-F399 HydrophobicContact CG1-CZ 3.73Å; I389-F399 HydrophobicContact CG2-CZ 4.38Å; I389-C408 HydrophobicContact CD1-CB 3.42Å; I389-C408 VanDerWaalsContact CD1-CB 3.42Å; I389-A409 HydrophobicContact CD1-CB 4.29Å; I389-A409 HydrophobicContact CG2-CB 4.12Å; I389-E412 HydrophobicContact CB-CB 4.49Å; I389-E412 HydrophobicContact CB-CG 4.31Å; I389-E412 HydrophobicContact CG2-CB 4.15Å; I389-E412 HydrophobicContact CG2-CG 4.13Å; I389-F587 HydrophobicContact CG2-CE2 3.98Å; I389-F587 HydrophobicContact CG2-CZ 3.65Å
390R97.9Very high97.2Very high114 Ų11434.3 Ų34.343%0.4316%0.156SC..Hα-helixtrans-57.3-46.9174.2179.6178.4177.2-169.6-3.1111.2L386 A387 A388 C392 R393 E394 E412L386-R390 WeakPolarHBondContact O-CB 3.43Å; L386-R390 PolarHBondContact O-N 2.52Å; A387-R390 PolarHBondContact O-N 2.94Å; A388-R390 PolarHBondContact O-N 2.81Å; R390-C392 VanDerWaalsContact C-N 3.33Å; R390-C392 PolarHBondContact O-N 3.4Å; R390-R393 PolarHBondContact O-N 3.1Å; R390-E394 HydrophobicContact CG-CG 4.33Å; R390-E394 WeakPolarHBondContact CG-OE1 3.47Å; R390-E394 IonicContact CZ-OE1 2.68Å; R390-E394 IonicContact NE-OE1 3.92Å; R390-E394 PolarHBondContact NE-OE1 3.27Å; R390-E394 IonicContact NE-OE2 2.84Å; R390-E394 PolarHBondContact NE-OE2 3.37Å; R390-E394 IonicContact NH2-OE1 3.47Å; R390-E394 PolarHBondContact NH2-OE1 3.3Å; R390-E394 IonicContact NH2-OE2 3.19Å; R390-E394 WeakPolarHBondContact O-CB 3.46Å; R390-E394 WeakPolarHBondContact O-CG 3.37Å; R390-E394 PolarHBondContact O-N 3.27Å; R390-E412 HydrophobicContact CB-CG 3.84Å; R390-E412 WeakPolarHBondContact CB-OE1 3.23Å; R390-E412 WeakPolarHBondContact CG-OE1 3.41Å
391F97.6Very high97.4Very high36 Ų3629.3 Ų29.316%0.15814%0.137CC..Hα-helixtrans-56.3-47.8176.6170.1-96000111.3W362 L365 A387 A388 I389 R395 V397W362-F391 HydrophobicContact CH2-CB 4.42Å; W362-F391 HydrophobicContact CZ3-CB 4Å; W362-F391 HydrophobicContact CZ3-CD2 4.13Å; W362-F391 HydrophobicContact CZ3-CG 4.13Å; L365-F391 HydrophobicContact CD2-CB 4.49Å; L365-F391 HydrophobicContact CD2-CD1 3.97Å; L365-F391 HydrophobicContact CD2-CG 4.3Å; L365-F391 HydrophobicContact CG-CD1 4.19Å; L365-F391 HydrophobicContact CG-CE1 4.36Å; A387-F391 PolarHBondContact O-N 3.44Å; A388-F391 WeakPolarHBondContact O-CB 3.27Å; A388-F391 PolarHBondContact O-N 3.22Å; I389-F391 VanDerWaalsContact C-N 3.32Å; I389-F391 PolarHBondContact O-N 3.21Å; F391-R395 HydrophobicContact CD2-CG 3.94Å; F391-R395 HydrophobicContact CE2-CG 3.79Å; F391-R395 HydrophobicContact CZ-CG 4.3Å; F391-R395 VanDerWaalsContact O-CB 3.26Å; F391-R395 WeakPolarHBondContact O-CB 3.38Å; F391-R395 WeakPolarHBondContact O-CG 3.13Å; F391-R395 PolarHBondContact O-N 3.44Å; F391-V397 HydrophobicContact CE1-CB 4.47Å; F391-V397 HydrophobicContact CE1-CG2 3.84Å; F391-V397 HydrophobicContact CZ-CG2 4.26Å
392C97.9Very high97.6Very high0 Ų029.3 Ų29.30%014%0.137CC..Hα-helixtrans-59.8-51.6177-66.40000112.2V371 A388 I389 R390 E394 R395 G396 V397 F399 H584V371-C392 VanDerWaalsContact CB-SG 3.53Å; V371-C392 VanDerWaalsContact CG2-SG 3.54Å; A388-C392 PolarHBondContact O-N 2.84Å; A388-C392 PolarHBondContact O-SG 3.44Å; A388-C392 VanDerWaalsContact O-SG 3.34Å; I389-C392 PolarHBondContact O-N 3.27Å; R390-C392 VanDerWaalsContact C-N 3.33Å; R390-C392 PolarHBondContact O-N 3.4Å; C392-E394 PolarHBondContact O-N 3.08Å; C392-R395 PolarHBondContact O-N 3.09Å; C392-G396 WeakPolarHBondContact O-CA 3.28Å; C392-G396 PolarHBondContact O-N 3.38Å; C392-V397 HydrophobicContact CB-CB 4.44Å; C392-V397 WeakPolarHBondContact CB-O 3.49Å; C392-V397 PolarHBondContact O-N 3.05Å; C392-V397 VanDerWaalsContact O-N 3.11Å; C392-F399 HydrophobicContact CB-CB 3.89Å; C392-F399 HydrophobicContact CB-CD2 4.43Å; C392-F399 HydrophobicContact CB-CG 4.36Å; C392-H584 PolarHBondContact O-NE2 3.48Å; C392-H584 VanDerWaalsContact O-NE2 3.09Å
393R97.5Very high97.6Very high19 Ų1929.4 Ų29.47%0.07214%0.138CC..Hα-helixtrans-56.2-47.2-179.2-177.217858.963.111112.1I389 R390 E412 L563 L567 F587I389-R393 WeakPolarHBondContact O-CB 3.47Å; I389-R393 PolarHBondContact O-N 3.24Å; R390-R393 PolarHBondContact O-N 3.1Å; R393-E412 WeakPolarHBondContact CD-OE2 3.49Å; R393-E412 IonicContact CZ-OE1 3.41Å; R393-E412 IonicContact CZ-OE2 3.74Å; R393-E412 IonicContact NE-OE1 3.49Å; R393-E412 PolarHBondContact NE-OE1 3.17Å; R393-E412 IonicContact NE-OE2 2.6Å; R393-E412 PolarHBondContact NE-OE2 3.07Å; R393-E412 IonicContact NH2-OE1 3.89Å; R393-E412 PolarHBondContact NH2-OE1 3.28Å; R393-E412 IonicContact NH2-OE2 3.97Å; R393-L563 HydrophobicContact CG-CD2 3.73Å; R393-L567 VanDerWaalsContact O-CD2 3.24Å; R393-L567 WeakPolarHBondContact O-CD2 3.41Å; R393-F587 HydrophobicContact CB-CD2 4.42Å; R393-F587 HydrophobicContact CB-CE2 3.85Å
394E95.6Very high97.6Very high85 Ų8525 Ų2540%0.39711%0.114SC..Hα-helixtrans-77.7-32.2-174.6-69.6177.1-178.900113R390 C392R390-E394 HydrophobicContact CG-CG 4.33Å; R390-E394 WeakPolarHBondContact CG-OE1 3.47Å; R390-E394 IonicContact CZ-OE1 2.68Å; R390-E394 IonicContact NE-OE1 3.92Å; R390-E394 PolarHBondContact NE-OE1 3.27Å; R390-E394 IonicContact NE-OE2 2.84Å; R390-E394 PolarHBondContact NE-OE2 3.37Å; R390-E394 IonicContact NH2-OE1 3.47Å; R390-E394 PolarHBondContact NH2-OE1 3.3Å; R390-E394 IonicContact NH2-OE2 3.19Å; R390-E394 WeakPolarHBondContact O-CB 3.46Å; R390-E394 WeakPolarHBondContact O-CG 3.37Å; R390-E394 PolarHBondContact O-N 3.27Å; C392-E394 PolarHBondContact O-N 3.08Å
395R94.2Very high97.6Very high176 Ų17625 Ų2566%0.66411%0.114SC*.Hα-helixtrans-94.3-9-177.4-63.2-67.7-173.9166.7-0.1113.9F391 C392 V397F391-R395 HydrophobicContact CD2-CG 3.94Å; F391-R395 HydrophobicContact CE2-CG 3.79Å; F391-R395 HydrophobicContact CZ-CG 4.3Å; F391-R395 VanDerWaalsContact O-CB 3.26Å; F391-R395 WeakPolarHBondContact O-CB 3.38Å; F391-R395 WeakPolarHBondContact O-CG 3.13Å; F391-R395 PolarHBondContact O-N 3.44Å; C392-R395 PolarHBondContact O-N 3.09Å; R395-V397 VanDerWaalsContact C-N 3.35Å; R395-V397 HydrophobicContact CB-CG2 4.03Å
396G95Very high97.6Very high13 Ų1324.9 Ų24.913%0.13411%0.114CC..THydrogen-bonded Turntrans71.429.6-174.900000113C392 P585C392-G396 WeakPolarHBondContact O-CA 3.28Å; C392-G396 PolarHBondContact O-N 3.38Å; G396-P585 WeakPolarHBondContact O-CD 3.48Å; G396-P585 WeakPolarHBondContact O-CG 3.22Å
397V97.3Very high97.6Very high23 Ų2324.4 Ų24.414%0.13911%0.111CC..  trans-82.3124176.2177.50000108.6V371 F391 C392 R395 F399 H584V371-V397 HydrophobicContact CG2-CG1 4.14Å; F391-V397 HydrophobicContact CE1-CB 4.47Å; F391-V397 HydrophobicContact CE1-CG2 3.84Å; F391-V397 HydrophobicContact CZ-CG2 4.26Å; C392-V397 HydrophobicContact CB-CB 4.44Å; C392-V397 WeakPolarHBondContact CB-O 3.49Å; C392-V397 PolarHBondContact O-N 3.05Å; C392-V397 VanDerWaalsContact O-N 3.11Å; R395-V397 VanDerWaalsContact C-N 3.35Å; R395-V397 HydrophobicContact CB-CG2 4.03Å; V397-F399 PolarHBondContact O-N 2.99Å; V397-H584 PolarHBondContact O-CE1 3.2Å; V397-H584 PolarHBondContact O-NE2 2.73Å
398P98.3Very high97.6Very high9 Ų923.1 Ų23.16%0.05810%0.101CC..  trans-45.6128.2176.9-31.635.6000113.7D369 A370 V371 P585 F586 L610 A613D369-P398 VanDerWaalsContact O-CD 3.32Å; D369-P398 WeakPolarHBondContact O-CD 3.28Å; A370-P398 CarbonylContact C-O 3.24Å; A370-P398 VanDerWaalsContact CA-O 3.29Å; A370-P398 WeakPolarHBondContact CA-O 3.34Å; A370-P398 HydrophobicContact CB-CB 3.9Å; V371-P398 PolarHBondContact N-O 2.88Å; P398-P585 HydrophobicContact CG-CG 4.12Å; P398-F586 CarbonylContact C-O 3.56Å; P398-F586 VanDerWaalsContact CA-O 3.27Å; P398-F586 WeakPolarHBondContact CA-O 3.49Å; P398-F586 HydrophobicContact CB-CB 4.26Å; P398-L610 HydrophobicContact CB-CD1 4.04Å; P398-A613 HydrophobicContact CB-CB 3.91Å; P398-A613 HydrophobicContact CG-CB 3.89Å
399F98.6Very high97.6Very high0 Ų023.1 Ų23.10%010%0.101CC..EExtended strand (participates in β ladder)trans-131.9134.2-171.6169.6-103.3000112V371 V373 I389 C392 V397 A409 F586 F587 V588 A589V371-F399 WeakPolarHBondContact O-CA 3.44Å; V373-F399 HydrophobicContact CB-CE2 3.92Å; V373-F399 HydrophobicContact CB-CZ 4.38Å; V373-F399 HydrophobicContact CG2-CE2 3.69Å; V373-F399 HydrophobicContact CG2-CZ 4.49Å; I389-F399 HydrophobicContact CD1-CE2 4.4Å; I389-F399 HydrophobicContact CD1-CZ 4.05Å; I389-F399 HydrophobicContact CG1-CE2 3.68Å; I389-F399 HydrophobicContact CG1-CZ 3.73Å; I389-F399 HydrophobicContact CG2-CZ 4.38Å; C392-F399 HydrophobicContact CB-CB 3.89Å; C392-F399 HydrophobicContact CB-CD2 4.43Å; C392-F399 HydrophobicContact CB-CG 4.36Å; V397-F399 PolarHBondContact O-N 2.99Å; F399-A409 HydrophobicContact CE1-CB 4.15Å; F399-A409 HydrophobicContact CZ-CB 4.44Å; F399-F586 PolarHBondContact N-O 2.92Å; F399-F586 WeakPolarHBondContact O-CD1 3.48Å; F399-F586 WeakPolarHBondContact O-CE1 3.44Å; F399-F587 HydrophobicContact CB-CD2 3.77Å; F399-F587 HydrophobicContact CB-CE2 4.19Å; F399-F587 HydrophobicContact CB-CG 4.3Å; F399-F587 AromaticContact CD1-CD1 3.87Å; F399-F587 HydrophobicContact CD1-CD1 3.87Å; F399-F587 AromaticContact CD1-CD2 3.61Å; F399-F587 HydrophobicContact CD1-CD2 3.61Å; F399-F587 AromaticContact CD1-CE1 3.79Å; F399-F587 HydrophobicContact CD1-CE1 3.79Å; F399-F587 AromaticContact CD1-CE2 3.52Å; F399-F587 HydrophobicContact CD1-CE2 3.52Å; F399-F587 AromaticContact CD1-CG 3.79Å; F399-F587 HydrophobicContact CD1-CG 3.79Å; F399-F587 AromaticContact CD1-CZ 3.62Å; F399-F587 HydrophobicContact CD1-CZ 3.62Å; F399-F587 HydrophobicContact CE1-CD1 4.38Å; F399-F587 AromaticContact CE1-CE1 3.91Å; F399-F587 HydrophobicContact CE1-CE1 3.91Å; F399-F587 HydrophobicContact CE1-CE2 4.11Å; F399-F587 AromaticContact CE1-CZ 3.77Å; F399-F587 HydrophobicContact CE1-CZ 3.77Å; F399-F587 AromaticContact CG-CD2 3.96Å; F399-F587 HydrophobicContact CG-CD2 3.96Å; F399-F587 AromaticContact CG-CE2 3.94Å; F399-F587 HydrophobicContact CG-CE2 3.94Å; F399-F587 HydrophobicContact CG-CG 4.47Å; F399-F587 HydrophobicContact CG-CZ 4.44Å; F399-V588 PolarHBondContact O-N 2.92Å; F399-V588 VanDerWaalsContact O-N 3.09Å; F399-A589 HydrophobicContact CE1-CB 4.37Å
400L98.8Very high97.6Very high0 Ų023.1 Ų23.10%010%0.101CC..EExtended strand (participates in β ladder)trans-124.9116.3167.5-176.161.5000110.8V371 V372 V373 L402 F586 V588 F606 F607 L610V371-L400 PolarHBondContact O-N 3.5Å; V372-L400 VanDerWaalsContact CA-O 3.31Å; V372-L400 WeakPolarHBondContact CA-O 3.35Å; V372-L400 HydrophobicContact CG2-CB 4.4Å; V373-L400 PolarHBondContact N-O 3.19Å; L400-L402 HydrophobicContact CD1-CD2 4.17Å; L400-L402 HydrophobicContact CD2-CD2 3.97Å; L400-L402 HydrophobicContact CG-CD2 3.79Å; L400-L402 HydrophobicContact CG-CG 4.45Å; L400-F586 HydrophobicContact CB-CE1 4.32Å; L400-F586 HydrophobicContact CD1-CE1 4.35Å; L400-V588 CarbonylContact C-O 3.48Å; L400-V588 VanDerWaalsContact CA-O 3.26Å; L400-V588 WeakPolarHBondContact CA-O 3.31Å; L400-V588 HydrophobicContact CD1-CB 4.41Å; L400-V588 HydrophobicContact CD1-CG1 4.29Å; L400-F606 HydrophobicContact CD1-CB 4.29Å; L400-F606 HydrophobicContact CD2-CB 4.28Å; L400-F607 HydrophobicContact CD2-CD1 3.7Å; L400-F607 HydrophobicContact CD2-CE1 3.62Å; L400-F607 HydrophobicContact CD2-CG 4.41Å; L400-F607 HydrophobicContact CD2-CZ 4.29Å; L400-L610 HydrophobicContact CB-CD1 4.02Å; L400-L610 HydrophobicContact CB-CD2 3.95Å; L400-L610 HydrophobicContact CB-CG 4.44Å; L400-L610 HydrophobicContact CD2-CD2 4.34Å
401G98.5Very high97.7Very high0 Ų017.7 Ų17.70%08%0.08CC..EExtended strand (participates in β ladder)trans-97.2134.3170.900000111.7V588 A589 T590G401-V588 PolarHBondContact N-O 2.93Å; G401-A589 CarbonylContact O-C 3.46Å; G401-A589 WeakPolarHBondContact O-CA 3.33Å; G401-A589 WeakPolarHBondContact O-CB 3.44Å; G401-T590 PolarHBondContact O-N 3.47Å
402L98.2Very high97.7Very high0 Ų016 Ų160%07%0.073CC..EExtended strand (participates in β ladder)trans-120.8127.8178.2-49.8175.9000110L321 V372 V373 P374 G375 L400 L404 G405 T590 P594 F607L321-L402 HydrophobicContact CD1-CD1 3.98Å; V372-L402 HydrophobicContact CG1-CD1 4.16Å; V372-L402 HydrophobicContact CG1-CG 4.42Å; V373-L402 PolarHBondContact O-N 3.15Å; P374-L402 CarbonylContact C-O 3.58Å; P374-L402 VanDerWaalsContact C-O 3.24Å; G375-L402 WeakPolarHBondContact CA-O 3.46Å; G375-L402 PolarHBondContact N-O 3.09Å; L400-L402 HydrophobicContact CD1-CD2 4.17Å; L400-L402 HydrophobicContact CD2-CD2 3.97Å; L400-L402 HydrophobicContact CG-CD2 3.79Å; L400-L402 HydrophobicContact CG-CG 4.45Å; L402-L404 PolarHBondContact O-N 2.97Å; L402-G405 PolarHBondContact O-N 2.75Å; L402-T590 CarbonylContact C-O 3.57Å; L402-T590 WeakPolarHBondContact CA-O 3.38Å; L402-P594 HydrophobicContact CD2-CG 3.71Å; L402-F607 HydrophobicContact CD1-CE1 4.29Å; L402-F607 HydrophobicContact CD1-CZ 4.09Å
403C97.6Very high97.7Very high6 Ų616.1 Ų16.14%0.0417%0.073CC..THydrogen-bonded Turntrans51.6-105.7179.1177.40000111G405 L406 Q407 T590 Q591 H593C403-G405 PolarHBondContact O-N 2.62Å; C403-G405 VanDerWaalsContact O-N 3.11Å; C403-L406 WeakPolarHBondContact O-CB 3.44Å; C403-L406 PolarHBondContact O-N 2.91Å; C403-Q407 PolarHBondContact O-N 2.78Å; C403-T590 PolarHBondContact N-O 2.66Å; C403-Q591 WeakPolarHBondContact CA-O 3.45Å; C403-Q591 WeakPolarHBondContact CB-O 3.45Å; C403-Q591 PolarHBondContact O-OE1 3.04Å; C403-H593 WeakPolarHBondContact CB-NE2 3.4Å
404L97.3Very high97.8Very high1 Ų115.2 Ų15.21%0.0057%0.07CC..Hα-helixtrans-53.7-32.2173.1-178.560000113.1K385 L402 L406 Q407 C408 F428K385-L404 HydrophobicContact CD-CD2 4.32Å; L402-L404 PolarHBondContact O-N 2.97Å; L404-L406 VanDerWaalsContact C-N 3.32Å; L404-L406 PolarHBondContact O-N 3.28Å; L404-Q407 HydrophobicContact CD1-CB 4.41Å; L404-Q407 PolarHBondContact O-N 2.93Å; L404-C408 WeakPolarHBondContact O-CB 3.41Å; L404-C408 PolarHBondContact O-N 2.98Å; L404-C408 PolarHBondContact O-SG 2.88Å; L404-C408 VanDerWaalsContact O-SG 3.38Å; L404-F428 HydrophobicContact CD1-CE2 4.06Å; L404-F428 HydrophobicContact CD1-CZ 3.69Å
405G98Very high97.9Very high0 Ų013.4 Ų13.40%06%0.06CC..Hα-helixtrans-61.8-36.1174.800000113.7L402 C403 A409L402-G405 PolarHBondContact O-N 2.75Å; C403-G405 PolarHBondContact O-N 2.62Å; C403-G405 VanDerWaalsContact O-N 3.11Å; G405-A409 WeakPolarHBondContact O-CB 3.43Å; G405-A409 PolarHBondContact O-N 3.12Å; G405-A409 VanDerWaalsContact O-N 3.09Å
406L98.3Very high98Very high0 Ų07.8 Ų7.80%04%0.043CC..Hα-helixtrans-66.1-47.5172.1177.4155.7000110.6C403 L404 C408 A409 V410 I532 I561 A589 T590 Q591C403-L406 WeakPolarHBondContact O-CB 3.44Å; C403-L406 PolarHBondContact O-N 2.91Å; L404-L406 VanDerWaalsContact C-N 3.32Å; L404-L406 PolarHBondContact O-N 3.28Å; L406-C408 PolarHBondContact O-N 3.41Å; L406-A409 WeakPolarHBondContact O-CB 3.46Å; L406-A409 PolarHBondContact O-N 2.93Å; L406-A409 VanDerWaalsContact O-N 3.08Å; L406-V410 HydrophobicContact CD2-CG2 4.35Å; L406-V410 WeakPolarHBondContact O-CG2 3.29Å; L406-V410 PolarHBondContact O-N 3.36Å; L406-V410 VanDerWaalsContact O-N 3.1Å; L406-I532 HydrophobicContact CD2-CD1 3.83Å; L406-I532 HydrophobicContact CD2-CG1 3.89Å; L406-I561 HydrophobicContact CD1-CD1 4.5Å; L406-I561 HydrophobicContact CD1-CG1 4.15Å; L406-I561 HydrophobicContact CD1-CG2 4.42Å; L406-I561 HydrophobicContact CG-CD1 3.89Å; L406-I561 HydrophobicContact CG-CG1 4.06Å; L406-A589 HydrophobicContact CB-CB 3.6Å; L406-A589 HydrophobicContact CD1-CB 4.28Å; L406-A589 HydrophobicContact CG-CB 3.95Å; L406-T590 VanDerWaalsContact CD1-C 3.49Å; L406-Q591 HydrophobicContact CD1-CB 4.08Å
407Q98.3Very high98.1Very high4 Ų49.1 Ų9.12%0.0195%0.048CC..Hα-helixtrans-60.9-45.4-179.1-63.2170.424.400111.3C403 L404 A409 V410 I411 I437 Y530C403-Q407 PolarHBondContact O-N 2.78Å; L404-Q407 HydrophobicContact CD1-CB 4.41Å; L404-Q407 PolarHBondContact O-N 2.93Å; Q407-A409 VanDerWaalsContact C-N 3.3Å; Q407-A409 PolarHBondContact O-N 3.06Å; Q407-V410 PolarHBondContact O-N 3.38Å; Q407-I411 WeakPolarHBondContact O-CG1 3.39Å; Q407-I411 PolarHBondContact O-N 3.33Å; Q407-I437 HydrophobicContact CB-CD1 4.04Å; Q407-I437 HydrophobicContact CB-CG1 3.99Å; Q407-I437 HydrophobicContact CB-CG2 4.33Å; Q407-I437 HydrophobicContact CG-CD1 4.11Å; Q407-I437 HydrophobicContact CG-CG1 4.39Å; Q407-I437 HydrophobicContact CG-CG2 4.08Å; Q407-Y530 PolarHBondContact NE2-O 2.88Å
408C98.4Very high98.1Very high0 Ų09.8 Ų9.80%05%0.051CC..Hα-helixtrans-61.9-35.9174.1-73.10000112.3L386 I389 L404 L406 V410 I411 E412L386-C408 HydrophobicContact CD2-CB 3.89Å; L386-C408 WeakPolarHBondContact CD2-O 3.13Å; I389-C408 HydrophobicContact CD1-CB 3.42Å; I389-C408 VanDerWaalsContact CD1-CB 3.42Å; L404-C408 WeakPolarHBondContact O-CB 3.41Å; L404-C408 PolarHBondContact O-N 2.98Å; L404-C408 PolarHBondContact O-SG 2.88Å; L404-C408 VanDerWaalsContact O-SG 3.38Å; L406-C408 PolarHBondContact O-N 3.41Å; C408-V410 VanDerWaalsContact C-N 3.35Å; C408-I411 PolarHBondContact O-N 2.85Å; C408-E412 WeakPolarHBondContact O-CB 3.06Å; C408-E412 PolarHBondContact O-N 2.85Å
409A98.5Very high98Very high0 Ų011.4 Ų11.40%07%0.069CC..Hα-helixtrans-65.5-38.3177.200000112.6I389 F399 G405 L406 Q407 F413 I561 F587I389-A409 HydrophobicContact CD1-CB 4.29Å; I389-A409 HydrophobicContact CG2-CB 4.12Å; F399-A409 HydrophobicContact CE1-CB 4.15Å; F399-A409 HydrophobicContact CZ-CB 4.44Å; G405-A409 WeakPolarHBondContact O-CB 3.43Å; G405-A409 PolarHBondContact O-N 3.12Å; G405-A409 VanDerWaalsContact O-N 3.09Å; L406-A409 WeakPolarHBondContact O-CB 3.46Å; L406-A409 PolarHBondContact O-N 2.93Å; L406-A409 VanDerWaalsContact O-N 3.08Å; Q407-A409 VanDerWaalsContact C-N 3.3Å; Q407-A409 PolarHBondContact O-N 3.06Å; A409-F413 VanDerWaalsContact O-CB 3.27Å; A409-F413 WeakPolarHBondContact O-CB 3.42Å; A409-F413 PolarHBondContact O-N 3.29Å; A409-I561 HydrophobicContact CB-CD1 4.27Å; A409-F587 HydrophobicContact CB-CE1 4.11Å; A409-F587 HydrophobicContact CB-CZ 4.13Å
410V98.5Very high97.9Very high0 Ų013.8 Ų13.80%08%0.078CC..Hα-helixtrans-66.8-42.4174.4176.90000111.4L406 Q407 C408 S414 V436 I437 I532 L540 L545 I561L406-V410 HydrophobicContact CD2-CG2 4.35Å; L406-V410 WeakPolarHBondContact O-CG2 3.29Å; L406-V410 PolarHBondContact O-N 3.36Å; L406-V410 VanDerWaalsContact O-N 3.1Å; Q407-V410 PolarHBondContact O-N 3.38Å; C408-V410 VanDerWaalsContact C-N 3.35Å; V410-S414 VanDerWaalsContact O-CB 3.32Å; V410-S414 WeakPolarHBondContact O-CB 3.32Å; V410-S414 PolarHBondContact O-N 2.96Å; V410-S414 PolarHBondContact O-OG 3.36Å; V410-V436 HydrophobicContact CG1-CB 4.17Å; V410-V436 HydrophobicContact CG1-CG2 4.33Å; V410-I437 HydrophobicContact CB-CD1 4.12Å; V410-I437 HydrophobicContact CG1-CD1 4.18Å; V410-I532 HydrophobicContact CG1-CG2 4.46Å; V410-I532 HydrophobicContact CG2-CD1 3.76Å; V410-I532 HydrophobicContact CG2-CG1 4.05Å; V410-L540 HydrophobicContact CG1-CD1 3.85Å; V410-L540 HydrophobicContact CG1-CD2 4.4Å; V410-L545 HydrophobicContact CG2-CD2 4.38Å; V410-I561 HydrophobicContact CG2-CD1 3.92Å
411I98.5Very high97.8Very high0 Ų020.6 Ų20.60%011%0.107CC..Hα-helixtrans-61.3-49.2176.1-66.7166.9000110.4L386 Q407 C408 F413 S414 R415 V436 I437L386-I411 HydrophobicContact CD1-CG2 4.07Å; L386-I411 HydrophobicContact CD2-CB 3.96Å; L386-I411 HydrophobicContact CD2-CG2 3.82Å; Q407-I411 WeakPolarHBondContact O-CG1 3.39Å; Q407-I411 PolarHBondContact O-N 3.33Å; C408-I411 PolarHBondContact O-N 2.85Å; I411-F413 PolarHBondContact O-N 3.09Å; I411-S414 PolarHBondContact O-N 3.41Å; I411-R415 WeakPolarHBondContact O-CG 3.29Å; I411-R415 PolarHBondContact O-N 3.1Å; I411-V436 HydrophobicContact CG1-CG2 3.91Å; I411-I437 HydrophobicContact CD1-CG1 4.32Å; I411-I437 HydrophobicContact CG1-CG1 4.15Å
412E98.3Very high97.8Very high1 Ų123.1 Ų23.11%0.00512%0.121CC..Hα-helixtrans-59.1-48.2179.4-169.8-74.7136.600111.4L386 I389 R390 R393 C408 S414 R415 N416L386-E412 HydrophobicContact CD2-CB 3.99Å; I389-E412 HydrophobicContact CB-CB 4.49Å; I389-E412 HydrophobicContact CB-CG 4.31Å; I389-E412 HydrophobicContact CG2-CB 4.15Å; I389-E412 HydrophobicContact CG2-CG 4.13Å; R390-E412 HydrophobicContact CB-CG 3.84Å; R390-E412 WeakPolarHBondContact CB-OE1 3.23Å; R390-E412 WeakPolarHBondContact CG-OE1 3.41Å; R393-E412 WeakPolarHBondContact CD-OE2 3.49Å; R393-E412 IonicContact CZ-OE1 3.41Å; R393-E412 IonicContact CZ-OE2 3.74Å; R393-E412 IonicContact NE-OE1 3.49Å; R393-E412 PolarHBondContact NE-OE1 3.17Å; R393-E412 IonicContact NE-OE2 2.6Å; R393-E412 PolarHBondContact NE-OE2 3.07Å; R393-E412 IonicContact NH2-OE1 3.89Å; R393-E412 PolarHBondContact NH2-OE1 3.28Å; R393-E412 IonicContact NH2-OE2 3.97Å; C408-E412 WeakPolarHBondContact O-CB 3.06Å; C408-E412 PolarHBondContact O-N 2.85Å; E412-S414 PolarHBondContact O-N 3.19Å; E412-R415 PolarHBondContact O-N 3.18Å; E412-N416 WeakPolarHBondContact O-CB 3.42Å; E412-N416 PolarHBondContact O-N 3.2Å; E412-N416 PolarHBondContact O-ND2 2.82Å; E412-N416 WeakPolarHBondContact OE1-CB 3.39Å; E412-N416 PolarHBondContact OE1-ND2 2.75Å
413F98.3Very high97.8Very high2 Ų223.1 Ų23.11%0.00912%0.121CC..Hα-helixtrans-62.2-43.3178.7-172.5-89.8000111.8A409 I411 R415 N416 V417 L418 L540 L545 L563A409-F413 VanDerWaalsContact O-CB 3.27Å; A409-F413 WeakPolarHBondContact O-CB 3.42Å; A409-F413 PolarHBondContact O-N 3.29Å; I411-F413 PolarHBondContact O-N 3.09Å; F413-R415 VanDerWaalsContact C-N 3.34Å; F413-R415 PolarHBondContact O-N 2.69Å; F413-N416 PolarHBondContact O-N 3.33Å; F413-V417 HydrophobicContact CD1-CB 4.21Å; F413-V417 HydrophobicContact CD2-CB 4.02Å; F413-V417 HydrophobicContact CD2-CG2 3.65Å; F413-V417 HydrophobicContact CE1-CB 4.06Å; F413-V417 HydrophobicContact CE1-CG1 4.03Å; F413-V417 HydrophobicContact CE2-CB 3.84Å; F413-V417 HydrophobicContact CE2-CG1 3.83Å; F413-V417 HydrophobicContact CE2-CG2 3.66Å; F413-V417 HydrophobicContact CG-CB 4.2Å; F413-V417 HydrophobicContact CG-CG2 4.2Å; F413-V417 HydrophobicContact CZ-CB 3.87Å; F413-V417 HydrophobicContact CZ-CG1 3.56Å; F413-V417 HydrophobicContact CZ-CG2 4.22Å; F413-V417 WeakPolarHBondContact O-CA 3.4Å; F413-V417 VanDerWaalsContact O-CB 3.27Å; F413-V417 WeakPolarHBondContact O-CB 3.5Å; F413-V417 PolarHBondContact O-N 3.47Å; F413-L418 HydrophobicContact CD1-CG 4.36Å; F413-L418 HydrophobicContact CE1-CD2 4.31Å; F413-L418 HydrophobicContact CE1-CG 4.23Å; F413-L418 PolarHBondContact O-N 3.14Å; F413-L540 HydrophobicContact CD1-CD2 3.69Å; F413-L540 HydrophobicContact CE1-CD2 4.15Å; F413-L545 HydrophobicContact CB-CD2 3.92Å; F413-L545 HydrophobicContact CD1-CB 3.98Å; F413-L545 HydrophobicContact CD1-CD2 3.97Å; F413-L545 HydrophobicContact CD2-CB 4.09Å; F413-L545 HydrophobicContact CD2-CD2 4.33Å; F413-L545 HydrophobicContact CE1-CB 3.77Å; F413-L545 HydrophobicContact CE2-CB 3.9Å; F413-L545 HydrophobicContact CG-CB 4.13Å; F413-L545 HydrophobicContact CG-CD2 3.81Å; F413-L545 HydrophobicContact CG-CG 4.5Å; F413-L545 HydrophobicContact CZ-CB 3.73Å; F413-L563 HydrophobicContact CD2-CD1 3.97Å; F413-L563 HydrophobicContact CE2-CD1 3.57Å
414S98.4Very high97.8Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-62.2-41.2177.8-57.80000112V410 I411 E412 L418 G419 W420V410-S414 VanDerWaalsContact O-CB 3.32Å; V410-S414 WeakPolarHBondContact O-CB 3.32Å; V410-S414 PolarHBondContact O-N 2.96Å; V410-S414 PolarHBondContact O-OG 3.36Å; I411-S414 PolarHBondContact O-N 3.41Å; E412-S414 PolarHBondContact O-N 3.19Å; S414-L418 CarbonylContact O-C 3.53Å; S414-L418 WeakPolarHBondContact O-CB 3.47Å; S414-L418 PolarHBondContact O-N 3.09Å; S414-G419 PolarHBondContact O-N 2.93Å; S414-G419 VanDerWaalsContact O-N 3.13Å; S414-W420 PolarHBondContact O-N 3.08Å
415R98.1Very high97.8Very high47 Ų4723.7 Ų23.718%0.17712%0.124CC..Hα-helixtrans-70.5-40179.4-71.2177.9-179.1-1772113.4L386 I411 E412 F413 W420 K421 A423 N424L386-R415 VanDerWaalsContact CD1-NH1 3.26Å; I411-R415 WeakPolarHBondContact O-CG 3.29Å; I411-R415 PolarHBondContact O-N 3.1Å; E412-R415 PolarHBondContact O-N 3.18Å; F413-R415 VanDerWaalsContact C-N 3.34Å; F413-R415 PolarHBondContact O-N 2.69Å; R415-W420 WeakPolarHBondContact CA-O 3.31Å; R415-W420 WeakPolarHBondContact CG-O 3.4Å; R415-K421 PolarHBondContact O-NZ 3.21Å; R415-A423 HydrophobicContact CG-CB 4.33Å; R415-A423 VanDerWaalsContact CZ-O 3.28Å; R415-A423 PolarHBondContact NE-O 2.78Å; R415-A423 PolarHBondContact NH2-O 3.19Å; R415-N424 PolarHBondContact NH2-ND2 2.85Å
416N97.2Very high97.8Very high58 Ų5825.4 Ų25.431%0.3113%0.134SC..Hα-helixtrans-106.2-21.7-167.5-65.2-46.8000114.4E412 F413E412-N416 WeakPolarHBondContact O-CB 3.42Å; E412-N416 PolarHBondContact O-N 3.2Å; E412-N416 PolarHBondContact O-ND2 2.82Å; E412-N416 WeakPolarHBondContact OE1-CB 3.39Å; E412-N416 PolarHBondContact OE1-ND2 2.75Å; F413-N416 PolarHBondContact O-N 3.33Å
417V96.4Very high97.6Very high41 Ų4127.7 Ų27.725%0.24815%0.145CC..THydrogen-bonded Turntrans-105.8-49.2176.8-1770000111.3F413 G419F413-V417 HydrophobicContact CD1-CB 4.21Å; F413-V417 HydrophobicContact CD2-CB 4.02Å; F413-V417 HydrophobicContact CD2-CG2 3.65Å; F413-V417 HydrophobicContact CE1-CB 4.06Å; F413-V417 HydrophobicContact CE1-CG1 4.03Å; F413-V417 HydrophobicContact CE2-CB 3.84Å; F413-V417 HydrophobicContact CE2-CG1 3.83Å; F413-V417 HydrophobicContact CE2-CG2 3.66Å; F413-V417 HydrophobicContact CG-CB 4.2Å; F413-V417 HydrophobicContact CG-CG2 4.2Å; F413-V417 HydrophobicContact CZ-CB 3.87Å; F413-V417 HydrophobicContact CZ-CG1 3.56Å; F413-V417 HydrophobicContact CZ-CG2 4.22Å; F413-V417 WeakPolarHBondContact O-CA 3.4Å; F413-V417 VanDerWaalsContact O-CB 3.27Å; F413-V417 WeakPolarHBondContact O-CB 3.5Å; F413-V417 PolarHBondContact O-N 3.47Å; V417-G419 VanDerWaalsContact C-N 3.33Å
418L96.6Very high97.5Very high36 Ų3628.3 Ų28.319%0.18815%0.148CC..SBendtrans-79.4-16.3177.8-57.1-178.5000113.4F413 S414 W420 L540 S543F413-L418 HydrophobicContact CD1-CG 4.36Å; F413-L418 HydrophobicContact CE1-CD2 4.31Å; F413-L418 HydrophobicContact CE1-CG 4.23Å; F413-L418 PolarHBondContact O-N 3.14Å; S414-L418 CarbonylContact O-C 3.53Å; S414-L418 WeakPolarHBondContact O-CB 3.47Å; S414-L418 PolarHBondContact O-N 3.09Å; L418-W420 VanDerWaalsContact C-N 3.31Å; L418-W420 HydrophobicContact CB-CD2 3.98Å; L418-W420 HydrophobicContact CB-CE3 4.34Å; L418-W420 HydrophobicContact CB-CG 4.24Å; L418-W420 HydrophobicContact CB-CZ2 4.48Å; L418-W420 HydrophobicContact CD1-CD2 4.16Å; L418-W420 HydrophobicContact CD1-CE3 3.75Å; L418-W420 HydrophobicContact CD1-CH2 3.58Å; L418-W420 HydrophobicContact CD1-CZ2 4Å; L418-W420 HydrophobicContact CD1-CZ3 3.44Å; L418-W420 VanDerWaalsContact CD1-CZ3 3.44Å; L418-W420 PolarHBondContact O-N 3.41Å; L418-L540 HydrophobicContact CD1-CD2 3.82Å; L418-S543 WeakPolarHBondContact CD2-OG 3.38Å
419G96.7Very high97.3Very high43 Ų4330.9 Ų30.944%0.44316%0.161SC..  trans79.47.5-179.800000114.9S414 V417 K421S414-G419 PolarHBondContact O-N 2.93Å; S414-G419 VanDerWaalsContact O-N 3.13Å; V417-G419 VanDerWaalsContact C-N 3.33Å; G419-K421 VanDerWaalsContact C-N 3.32Å; G419-K421 PolarHBondContact O-N 3.42Å
420W97.5Very high97.2Very high51 Ų5135.4 Ų35.419%0.19319%0.191CC..  trans-7879.2176.9-57-19.4000110.3S414 R415 L418 D422 A423 H434 V436 Y536 Q539S414-W420 PolarHBondContact O-N 3.08Å; R415-W420 WeakPolarHBondContact CA-O 3.31Å; R415-W420 WeakPolarHBondContact CG-O 3.4Å; L418-W420 VanDerWaalsContact C-N 3.31Å; L418-W420 HydrophobicContact CB-CD2 3.98Å; L418-W420 HydrophobicContact CB-CE3 4.34Å; L418-W420 HydrophobicContact CB-CG 4.24Å; L418-W420 HydrophobicContact CB-CZ2 4.48Å; L418-W420 HydrophobicContact CD1-CD2 4.16Å; L418-W420 HydrophobicContact CD1-CE3 3.75Å; L418-W420 HydrophobicContact CD1-CH2 3.58Å; L418-W420 HydrophobicContact CD1-CZ2 4Å; L418-W420 HydrophobicContact CD1-CZ3 3.44Å; L418-W420 VanDerWaalsContact CD1-CZ3 3.44Å; L418-W420 PolarHBondContact O-N 3.41Å; W420-D422 PolarHBondContact O-N 3.17Å; W420-D422 VanDerWaalsContact O-N 3.15Å; W420-A423 HydrophobicContact CB-CB 3.95Å; W420-A423 WeakPolarHBondContact O-CB 3.19Å; W420-A423 PolarHBondContact O-N 3.19Å; W420-H434 HydrophobicContact CB-CB 4.31Å; W420-H434 AromaticContact CD1-NE2 3.84Å; W420-H434 AromaticContact CD2-CD2 3.64Å; W420-H434 HydrophobicContact CE3-CB 4.44Å; W420-H434 AromaticContact CE3-CD2 4Å; W420-H434 AromaticContact CG-CD2 3.67Å; W420-H434 AromaticContact CG-NE2 3.88Å; W420-V436 HydrophobicContact CE3-CG1 4.14Å; W420-V436 HydrophobicContact CZ3-CG1 4.21Å; W420-Y536 HydrophobicContact CE3-CD1 4.43Å; W420-Y536 AromaticContact CH2-CD1 3.54Å; W420-Y536 HydrophobicContact CH2-CD1 3.54Å; W420-Y536 HydrophobicContact CH2-CE1 4.2Å; W420-Y536 HydrophobicContact CH2-CG 4.4Å; W420-Y536 AromaticContact CZ3-CD1 3.46Å; W420-Y536 HydrophobicContact CZ3-CD1 3.46Å; W420-Y536 VanDerWaalsContact CZ3-CD1 3.46Å; W420-Y536 HydrophobicContact CZ3-CE1 4.08Å; W420-Y536 HydrophobicContact CZ3-CG 4.04Å; W420-Q539 HydrophobicContact CH2-CB 3.89Å; W420-Q539 HydrophobicContact CH2-CG 4.12Å; W420-Q539 HydrophobicContact CZ2-CB 4.39Å; W420-Q539 HydrophobicContact CZ2-CG 4.39Å
421K96.8Very high97.1Very high142 Ų14242.1 Ų42.162%0.61723%0.227SC*.THydrogen-bonded Turntrans-59.1-28.4-170.5-64.3-57.2179.1-165.20114.5R415 G419R415-K421 PolarHBondContact O-NZ 3.21Å; G419-K421 VanDerWaalsContact C-N 3.32Å; G419-K421 PolarHBondContact O-N 3.42Å
422D97Very high97Very high54 Ų5442.9 Ų42.929%0.28923%0.231SC..THydrogen-bonded Turntrans-92.30178.571.9-45.9000113.4W420 N424 T432 T433 H434W420-D422 PolarHBondContact O-N 3.17Å; W420-D422 VanDerWaalsContact O-N 3.15Å; D422-N424 PolarHBondContact O-N 3.21Å; D422-T432 PolarHBondContact O-OG1 3.34Å; D422-T433 WeakPolarHBondContact OD2-CA 3.41Å; D422-T433 VanDerWaalsContact OD2-CB 3.28Å; D422-T433 WeakPolarHBondContact OD2-CB 3.16Å; D422-T433 PolarHBondContact OD2-N 2.93Å; D422-T433 PolarHBondContact OD2-OG1 3.19Å; D422-H434 IonicContact OD1-CE1 2.84Å; D422-H434 IonicContact OD1-CG 3.06Å; D422-H434 IonicContact OD1-ND1 2.82Å; D422-H434 PolarHBondContact OD1-ND1 3.17Å; D422-H434 IonicContact OD2-ND1 3.96Å; D422-H434 PolarHBondContact OD2-ND1 3.17Å
423A98.1Very high97Very high0 Ų047.6 Ų47.60%026%0.26CS..  trans-55.1130.4179.100000111.2R415 W420 H434 V436R415-A423 HydrophobicContact CG-CB 4.33Å; R415-A423 VanDerWaalsContact CZ-O 3.28Å; R415-A423 PolarHBondContact NE-O 2.78Å; R415-A423 PolarHBondContact NH2-O 3.19Å; W420-A423 HydrophobicContact CB-CB 3.95Å; W420-A423 WeakPolarHBondContact O-CB 3.19Å; W420-A423 PolarHBondContact O-N 3.19Å; A423-H434 WeakPolarHBondContact CA-O 3.42Å; A423-H434 HydrophobicContact CB-CB 3.91Å; A423-V436 HydrophobicContact CB-CG1 4.07Å; A423-V436 HydrophobicContact CB-CG2 4.15Å
424N98Very high96.9Very high18 Ų1849.7 Ų49.710%0.09627%0.27CS..EExtended strand (participates in β ladder)trans-154.2173.6-174.9-145.3-20.4000112R415 D422 D429 T432 H434 V436R415-N424 PolarHBondContact NH2-ND2 2.85Å; D422-N424 PolarHBondContact O-N 3.21Å; N424-D429 HydrophobicContact CB-CB 4.12Å; N424-D429 WeakPolarHBondContact ND2-CB 3.45Å; N424-T432 HydrophobicContact CB-CG2 4.16Å; N424-H434 PolarHBondContact N-O 3.43Å; N424-V436 PolarHBondContact O-N 3.06Å
425S97.8Very high96.9Very high0 Ų051.2 Ų51.20%028%0.28CS..EExtended strand (participates in β ladder)trans-84.9138.7164.3178.50000110.5E427 F428 D429 I437S425-E427 PolarHBondContact O-N 3.13Å; S425-E427 VanDerWaalsContact O-N 3.15Å; S425-E427 VanDerWaalsContact OG-CB 3.3Å; S425-E427 WeakPolarHBondContact OG-CB 3.26Å; S425-E427 PolarHBondContact OG-N 2.97Å; S425-E427 VanDerWaalsContact OG-N 3.08Å; S425-F428 PolarHBondContact O-N 3.19Å; S425-D429 PolarHBondContact O-N 3.37Å; S425-I437 WeakPolarHBondContact CA-O 3.45Å; S425-I437 WeakPolarHBondContact OG-CG2 3.31Å
426T97.2Very high96.9Very high37 Ų3749 Ų4923%0.22727%0.271CS..THydrogen-bonded Turntrans-63.7-13.1170.260.60000112.7F428 P435 I437 I438 E439T426-F428 VanDerWaalsContact C-N 3.33Å; T426-P435 HydrophobicContact CG2-CB 3.75Å; T426-I437 PolarHBondContact N-O 3.07Å; T426-I437 PolarHBondContact OG1-O 3.05Å; T426-I438 HydrophobicContact CG2-CG2 4.12Å; T426-I438 WeakPolarHBondContact OG1-CA 3.35Å; T426-E439 PolarHBondContact OG1-N 2.94Å
427E95.5Very high97Very high47 Ų4746.2 Ų46.222%0.2226%0.257CS..THydrogen-bonded Turntrans-63.3-38.4169-170.4-179.4166.400112G378 S425 Y530G378-E427 PolarHBondContact N-OE1 3.33Å; S425-E427 PolarHBondContact O-N 3.13Å; S425-E427 VanDerWaalsContact O-N 3.15Å; S425-E427 VanDerWaalsContact OG-CB 3.3Å; S425-E427 WeakPolarHBondContact OG-CB 3.26Å; S425-E427 PolarHBondContact OG-N 2.97Å; S425-E427 VanDerWaalsContact OG-N 3.08Å; E427-Y530 HydrophobicContact CB-CD1 4.11Å; E427-Y530 HydrophobicContact CB-CD2 4.14Å; E427-Y530 HydrophobicContact CB-CE1 3.64Å; E427-Y530 HydrophobicContact CB-CE2 3.67Å; E427-Y530 HydrophobicContact CB-CG 4.36Å; E427-Y530 HydrophobicContact CG-CD2 4.3Å; E427-Y530 HydrophobicContact CG-CE1 4.39Å; E427-Y530 HydrophobicContact CG-CE2 3.57Å
428F94.8Very high97Very high18 Ų1846 Ų468%0.07925%0.254CS..THydrogen-bonded Turntrans-105.9-34.7-170.9-48.1-44.7000112.5G378 Q379 V382 L404 S425 T426G378-F428 VanDerWaalsContact C-CE1 3.47Å; Q379-F428 HydrophobicContact CB-CD1 3.85Å; Q379-F428 HydrophobicContact CB-CG 4.4Å; Q379-F428 HydrophobicContact CG-CB 4.19Å; Q379-F428 HydrophobicContact CG-CD1 4.31Å; Q379-F428 HydrophobicContact CG-CG 4.38Å; V382-F428 HydrophobicContact CG1-CD2 4.19Å; V382-F428 HydrophobicContact CG1-CE2 4.13Å; V382-F428 HydrophobicContact CG2-CD2 4.21Å; V382-F428 HydrophobicContact CG2-CE1 4.1Å; V382-F428 HydrophobicContact CG2-CE2 3.77Å; V382-F428 HydrophobicContact CG2-CZ 3.72Å; L404-F428 HydrophobicContact CD1-CE2 4.06Å; L404-F428 HydrophobicContact CD1-CZ 3.69Å; S425-F428 PolarHBondContact O-N 3.19Å; T426-F428 VanDerWaalsContact C-N 3.33Å
429D96.2Very high97Very high53 Ų5349.2 Ų49.228%0.28327%0.268SS..  trans-139.693.8177.5-178.37.5000110N424 S425 N431 T432N424-D429 HydrophobicContact CB-CB 4.12Å; N424-D429 WeakPolarHBondContact ND2-CB 3.45Å; S425-D429 PolarHBondContact O-N 3.37Å; D429-N431 PolarHBondContact O-N 3.17Å; D429-N431 VanDerWaalsContact O-N 3.17Å; D429-N431 PolarHBondContact OD1-N 2.93Å; D429-T432 WeakPolarHBondContact O-CG2 3.07Å; D429-T432 PolarHBondContact O-N 3.1Å
430P95.3Very high96.8Very high96 Ų9648.7 Ų48.762%0.62325%0.254SS*.THydrogen-bonded Turntrans-63.2-15.2176.4-2333.9000114.2
431N96.5Very high96.6Very high141 Ų14147.6 Ų47.675%0.75425%0.254SS*.THydrogen-bonded Turntrans-100.83.7-173.7-60.2-52.2000113.7D429D429-N431 PolarHBondContact O-N 3.17Å; D429-N431 VanDerWaalsContact O-N 3.17Å; D429-N431 PolarHBondContact OD1-N 2.93Å
432T96.9Very high96.2Very high15 Ų1541.3 Ų41.39%0.09223%0.227CC..  trans-56.7139.4177.2177.80000111.7D422 N424 D429 H434 P435D422-T432 PolarHBondContact O-OG1 3.34Å; N424-T432 HydrophobicContact CB-CG2 4.16Å; D429-T432 WeakPolarHBondContact O-CG2 3.07Å; D429-T432 PolarHBondContact O-N 3.1Å; T432-H434 VanDerWaalsContact C-N 3.29Å; T432-H434 PolarHBondContact OG1-N 2.8Å; T432-H434 PolarHBondContact OG1-O 3.36Å; T432-P435 HydrophobicContact CG2-CB 3.82Å
433T96.9Very high95.7Very high101 Ų10145.6 Ų45.662%0.6224%0.244SC*.SBendtrans-80.9-15.217575.70000112.3D422 P435D422-T433 WeakPolarHBondContact OD2-CA 3.41Å; D422-T433 VanDerWaalsContact OD2-CB 3.28Å; D422-T433 WeakPolarHBondContact OD2-CB 3.16Å; D422-T433 PolarHBondContact OD2-N 2.93Å; D422-T433 PolarHBondContact OD2-OG1 3.19Å; T433-P435 VanDerWaalsContact C-CD 3.41Å; T433-P435 WeakPolarHBondContact O-CD 3.5Å
434H98Very high94.9Very high46 Ų4648.7 Ų48.721%0.21326%0.261CS..SBendtrans-120.373.7174.3-6090.4000110.6W420 D422 A423 N424 T432 V436W420-H434 HydrophobicContact CB-CB 4.31Å; W420-H434 AromaticContact CD1-NE2 3.84Å; W420-H434 AromaticContact CD2-CD2 3.64Å; W420-H434 HydrophobicContact CE3-CB 4.44Å; W420-H434 AromaticContact CE3-CD2 4Å; W420-H434 AromaticContact CG-CD2 3.67Å; W420-H434 AromaticContact CG-NE2 3.88Å; D422-H434 IonicContact OD1-CE1 2.84Å; D422-H434 IonicContact OD1-CG 3.06Å; D422-H434 IonicContact OD1-ND1 2.82Å; D422-H434 PolarHBondContact OD1-ND1 3.17Å; D422-H434 IonicContact OD2-ND1 3.96Å; D422-H434 PolarHBondContact OD2-ND1 3.17Å; A423-H434 WeakPolarHBondContact CA-O 3.42Å; A423-H434 HydrophobicContact CB-CB 3.91Å; N424-H434 PolarHBondContact N-O 3.43Å; T432-H434 VanDerWaalsContact C-N 3.29Å; T432-H434 PolarHBondContact OG1-N 2.8Å; T432-H434 PolarHBondContact OG1-O 3.36Å; H434-V436 PolarHBondContact O-N 2.98Å
435P97.8Very high94.2Very high31 Ų3154.1 Ų54.120%0.20130%0.298CS..EExtended strand (participates in β ladder)trans-72.878.5177.331.1-36.7000110.4T426 T432 T433 I437 I438 N533 Y536T426-P435 HydrophobicContact CG2-CB 3.75Å; T432-P435 HydrophobicContact CG2-CB 3.82Å; T433-P435 VanDerWaalsContact C-CD 3.41Å; T433-P435 WeakPolarHBondContact O-CD 3.5Å; P435-I437 VanDerWaalsContact C-N 3.28Å; P435-I438 HydrophobicContact CB-CG2 3.98Å; P435-N533 VanDerWaalsContact O-CB 3.27Å; P435-N533 WeakPolarHBondContact O-CB 3.36Å; P435-N533 PolarHBondContact O-ND2 3.3Å; P435-Y536 HydrophobicContact CG-CE2 4.39Å; P435-Y536 WeakPolarHBondContact O-CE2 3.43Å
436V98.2Very high93.3Very high0 Ų058.2 Ų58.20%034%0.34CS..EExtended strand (participates in β ladder)trans-73-24.8-177.7-67.60000112.1V410 I411 W420 A423 N424 H434 N533 Y536V410-V436 HydrophobicContact CG1-CB 4.17Å; V410-V436 HydrophobicContact CG1-CG2 4.33Å; I411-V436 HydrophobicContact CG1-CG2 3.91Å; W420-V436 HydrophobicContact CE3-CG1 4.14Å; W420-V436 HydrophobicContact CZ3-CG1 4.21Å; A423-V436 HydrophobicContact CB-CG1 4.07Å; A423-V436 HydrophobicContact CB-CG2 4.15Å; N424-V436 PolarHBondContact O-N 3.06Å; H434-V436 PolarHBondContact O-N 2.98Å; V436-N533 WeakPolarHBondContact O-CB 3.43Å; V436-N533 PolarHBondContact O-N 3.26Å; V436-Y536 HydrophobicContact CG1-CD2 4.15Å; V436-Y536 HydrophobicContact CG1-CG 4.3Å
437I98.3Very high92.5Very high0 Ų061.2 Ų61.20%035%0.353CS..EExtended strand (participates in β ladder)trans-119.4126.2170.7-55.4-60000108.2Q407 V410 I411 S425 T426 P435 E531 I532Q407-I437 HydrophobicContact CB-CD1 4.04Å; Q407-I437 HydrophobicContact CB-CG1 3.99Å; Q407-I437 HydrophobicContact CB-CG2 4.33Å; Q407-I437 HydrophobicContact CG-CD1 4.11Å; Q407-I437 HydrophobicContact CG-CG1 4.39Å; Q407-I437 HydrophobicContact CG-CG2 4.08Å; V410-I437 HydrophobicContact CB-CD1 4.12Å; V410-I437 HydrophobicContact CG1-CD1 4.18Å; I411-I437 HydrophobicContact CD1-CG1 4.32Å; I411-I437 HydrophobicContact CG1-CG1 4.15Å; S425-I437 WeakPolarHBondContact CA-O 3.45Å; S425-I437 WeakPolarHBondContact OG-CG2 3.31Å; T426-I437 PolarHBondContact N-O 3.07Å; T426-I437 PolarHBondContact OG1-O 3.05Å; P435-I437 VanDerWaalsContact C-N 3.28Å; I437-E531 CarbonylContact C-O 3.54Å; I437-E531 WeakPolarHBondContact CA-O 3.27Å; I437-I532 HydrophobicContact CD1-CB 4.4Å; I437-I532 HydrophobicContact CD1-CG1 3.99Å
438I97.6Very high91.4Very high36 Ų3668.1 Ų68.119%0.18539%0.388CS..EExtended strand (participates in β ladder)trans-127154.2-175.757.6171.4000111.3T426 P435 M440 Y530 E531 N533T426-I438 HydrophobicContact CG2-CG2 4.12Å; T426-I438 WeakPolarHBondContact OG1-CA 3.35Å; P435-I438 HydrophobicContact CB-CG2 3.98Å; I438-M440 HydrophobicContact CD1-CE 3.99Å; I438-M440 HydrophobicContact CG1-CE 4.45Å; I438-M440 PolarHBondContact O-N 3.33Å; I438-Y530 CarbonylContact O-C 3.49Å; I438-Y530 VanDerWaalsContact O-CA 3.27Å; I438-Y530 WeakPolarHBondContact O-CA 3.46Å; I438-E531 PolarHBondContact N-O 3.33Å; I438-E531 PolarHBondContact O-N 3.5Å; I438-N533 HydrophobicContact CD1-CB 3.95Å; I438-N533 HydrophobicContact CG1-CB 3.9Å; I438-N533 HydrophobicContact CG2-CB 3.97Å
439E95.4Very high90.6Very high104 Ų10469.6 Ų69.649%0.48641%0.408SS..EExtended strand (participates in β ladder)trans-70126.5170-157.5-177.2-169.800109.8T426 Y530T426-E439 PolarHBondContact OG1-N 2.94Å; E439-Y530 HydrophobicContact CB-CD1 3.97Å; E439-Y530 HydrophobicContact CB-CE1 3.73Å; E439-Y530 HydrophobicContact CG-CD1 4.39Å; E439-Y530 HydrophobicContact CG-CE1 4.08Å
440M94Very high89.6Confident32 Ų3269.2 Ų69.216%0.15842%0.417CS..  trans-139.468.4179.3-167.4-173.7-61.700110.3I438 R529 E531 P534 R557I438-M440 HydrophobicContact CD1-CE 3.99Å; I438-M440 HydrophobicContact CG1-CE 4.45Å; I438-M440 PolarHBondContact O-N 3.33Å; M440-R529 PolarHBondContact N-O 3.03Å; M440-E531 HydrophobicContact CB-CB 4.1Å; M440-E531 HydrophobicContact CB-CG 3.72Å; M440-E531 HydrophobicContact CE-CB 4.29Å; M440-E531 HydrophobicContact CG-CG 4.47Å; M440-E531 HydrophobicContact SD-CB 4.48Å; M440-E531 HydrophobicContact SD-CG 4.27Å; M440-P534 HydrophobicContact CE-CG 4.08Å; M440-R557 PolarHBondContact O-NH2 2.72Å; M440-R557 VanDerWaalsContact O-NH2 3.09Å; M440-R557 HydrophobicContact SD-CG 4Å
441P91.7Very high89.2Confident29 Ų2966 Ų6619%0.18840%0.395CS..  trans-69.3161.1-172.431.9-34.3000111.4H443 T451P441-H443 PolarHBondContact O-ND1 3.48Å; P441-T451 WeakPolarHBondContact CB-O 3.34Å
442E88.7Confident88.9Confident10 Ų1060 Ų605%0.04736%0.363CS..BIsolated β-bridgetrans-83.3139.5172.3-65.3-172.9157.400110.3T451 R453 R457E442-T451 PolarHBondContact N-O 3.01Å; E442-T451 PolarHBondContact O-N 3.47Å; E442-T451 PolarHBondContact O-OG1 3.47Å; E442-T451 VanDerWaalsContact O-OG1 3.08Å; E442-R453 HydrophobicContact CG-CB 4.18Å; E442-R453 WeakPolarHBondContact OE1-CG 3.4Å; E442-R453 IonicContact OE1-CZ 3.5Å; E442-R453 IonicContact OE1-NH1 3.92Å; E442-R453 PolarHBondContact OE1-NH1 3.16Å; E442-R457 IonicContact OE1-CZ 2.7Å; E442-R457 VanDerWaalsContact OE1-CZ 3.3Å; E442-R457 IonicContact OE1-NH1 3.26Å; E442-R457 PolarHBondContact OE1-NH1 3.32Å; E442-R457 IonicContact OE1-NH2 3.07Å; E442-R457 PolarHBondContact OE1-NH2 3.48Å; E442-R457 IonicContact OE2-CZ 3.72Å; E442-R457 IonicContact OE2-NH1 3.08Å; E442-R457 PolarHBondContact OE2-NH1 2.96Å; E442-R457 IonicContact OE2-NH2 3.62Å; E442-R457 PolarHBondContact OE2-NH2 2.96Å
443H86.1Confident88.8Confident143 Ų14359.4 Ų59.466%0.66236%0.359SS*.  trans-111.794.9177.5-67.186.6000107.9P441P441-H443 PolarHBondContact O-ND1 3.48Å
444N82.3Confident88.7Confident65 Ų6556.4 Ų56.435%0.34834%0.339SS..  trans-93.3128-175.2-71.5-51.9000110.6G446 I447 T451N444-G446 PolarHBondContact O-N 3.44Å; N444-I447 HydrophobicContact CB-CD1 4.33Å; N444-I447 PolarHBondContact O-N 3.3Å; N444-I447 VanDerWaalsContact O-N 3.1Å; N444-T451 PolarHBondContact ND2-OG1 3.29Å
445P82Confident88.6Confident133 Ų13354.3 Ų54.386%0.86433%0.33SS*.THydrogen-bonded Turntrans-53.5124.9176.7-2634.1000111.7
446G79.9Confident88.5Confident86 Ų8658.5 Ų58.589%0.88734%0.341SS*.THydrogen-bonded Turntrans97.7-11.7179.900000115.4N444N444-G446 PolarHBondContact O-N 3.44Å
447I79.8Confident88.4Confident100 Ų10060.7 Ų60.751%0.51335%0.35SS..SBendtrans-107.3124.8172.3-56175000108.4N444 T451N444-I447 HydrophobicContact CB-CD1 4.33Å; N444-I447 PolarHBondContact O-N 3.3Å; N444-I447 VanDerWaalsContact O-N 3.1Å; I447-T451 HydrophobicContact CB-CG2 4.11Å; I447-T451 HydrophobicContact CD1-CG2 4.06Å; I447-T451 HydrophobicContact CG2-CG2 3.52Å
448M73.3Confident88.3Confident192 Ų19265.8 Ų65.895%0.94637%0.369SS*.  trans-78.1129.7175.6-70.8-168.4-70.200110.3
449G78Confident88.3Confident49 Ų4964.1 Ų64.151%0.50536%0.36SS..SBendtrans93.3177.8-18000000113.6
450G75.9Confident88.3Confident45 Ų4562.4 Ų62.446%0.46435%0.354SS..PPolyproline II helixtrans-79.3129174.800000111.3
451T85.6Confident88.3Confident28 Ų2861.6 Ų61.617%0.17235%0.35CS..BIsolated β-bridgetrans-97.1154.1174.560.20000111.2P441 E442 N444 I447P441-T451 WeakPolarHBondContact CB-O 3.34Å; E442-T451 PolarHBondContact N-O 3.01Å; E442-T451 PolarHBondContact O-N 3.47Å; E442-T451 PolarHBondContact O-OG1 3.47Å; E442-T451 VanDerWaalsContact O-OG1 3.08Å; N444-T451 PolarHBondContact ND2-OG1 3.29Å; I447-T451 HydrophobicContact CB-CG2 4.11Å; I447-T451 HydrophobicContact CD1-CG2 4.06Å; I447-T451 HydrophobicContact CG2-CG2 3.52Å
452M91.4Very high88.1Confident16 Ų1665.2 Ų65.28%0.07936%0.361CS..PPolyproline II helixtrans-62.4144.4169.1-170.2-174.9-63.800109.9F377 L454 R527 H528 R529F377-M452 HydrophobicContact CE1-CE 4.25Å; F377-M452 HydrophobicContact CZ-CE 4.41Å; M452-L454 HydrophobicContact CB-CD1 4.2Å; M452-L454 HydrophobicContact CB-CG 4.09Å; M452-L454 HydrophobicContact CG-CD2 4.39Å; M452-L454 HydrophobicContact CG-CG 4.11Å; M452-L454 PolarHBondContact O-N 3.41Å; M452-L454 HydrophobicContact SD-CD2 3.76Å; M452-L454 HydrophobicContact SD-CG 4.1Å; M452-R527 HydrophobicContact SD-CB 4.41Å; M452-R527 HydrophobicContact SD-CG 3.58Å; M452-R527 VanDerWaalsContact SD-CG 3.58Å; M452-H528 WeakPolarHBondContact CG-O 3.45Å; M452-R529 HydrophobicContact CB-CG 4.04Å; M452-R529 HydrophobicContact CE-CG 4.27Å; M452-R529 VanDerWaalsContact CE-NH1 3.33Å; M452-R529 VanDerWaalsContact CE-NH2 3.25Å; M452-R529 HydrophobicContact CG-CG 3.84Å
453R94.2Very high88.2Confident2 Ų266.2 Ų66.21%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-73.6111167.9179.3164.9176.491.4-11.7108.5E442 R457 H526 H528 E553 E559E442-R453 HydrophobicContact CG-CB 4.18Å; E442-R453 WeakPolarHBondContact OE1-CG 3.4Å; E442-R453 IonicContact OE1-CZ 3.5Å; E442-R453 IonicContact OE1-NH1 3.92Å; E442-R453 PolarHBondContact OE1-NH1 3.16Å; R453-R457 VanDerWaalsContact NH1-NH1 3.14Å; R453-H526 HydrophobicContact CG-CB 4.04Å; R453-H526 CarbonylContact O-C 3.57Å; R453-H528 PolarHBondContact N-O 3.23Å; R453-H528 PolarHBondContact O-N 2.96Å; R453-E553 IonicContact CZ-OE2 3.47Å; R453-E553 IonicContact NH1-OE2 2.82Å; R453-E553 PolarHBondContact NH1-OE2 2.96Å; R453-E559 IonicContact CZ-OE1 3.45Å; R453-E559 IonicContact NE-OE1 3.13Å; R453-E559 PolarHBondContact NE-OE1 3.46Å; R453-E559 IonicContact NH2-OE1 3.75Å; R453-E559 PolarHBondContact NH2-OE1 3.33Å
454L94.2Very high88.5Confident38 Ų3860.2 Ų60.220%0.19934%0.341CS..EExtended strand (participates in β ladder)trans-126.5153.6-173.6-75.3166.3000111.6E69 M452 R457 H526 R527E69-L454 HydrophobicContact CG-CD2 4.05Å; M452-L454 HydrophobicContact CB-CD1 4.2Å; M452-L454 HydrophobicContact CB-CG 4.09Å; M452-L454 HydrophobicContact CG-CD2 4.39Å; M452-L454 HydrophobicContact CG-CG 4.11Å; M452-L454 PolarHBondContact O-N 3.41Å; M452-L454 HydrophobicContact SD-CD2 3.76Å; M452-L454 HydrophobicContact SD-CG 4.1Å; L454-R457 PolarHBondContact O-NE 3.45Å; L454-R457 PolarHBondContact O-NH2 3.35Å; L454-H526 WeakPolarHBondContact CA-O 3.25Å; L454-R527 HydrophobicContact CD2-CB 4.24Å; L454-R527 HydrophobicContact CD2-CG 3.86Å
455G95.6Very high89Confident1 Ų163.5 Ų63.51%0.0135%0.354CS..EExtended strand (participates in β ladder)trans84.4-171.2170.100000114.6R457 R525 H526G455-R457 PolarHBondContact O-N 2.92Å; G455-R525 CarbonylContact O-C 3.47Å; G455-R525 WeakPolarHBondContact O-CA 3.47Å; G455-H526 PolarHBondContact N-O 3.1Å; G455-H526 PolarHBondContact O-N 2.79Å; G455-H526 PolarHBondContact O-ND1 2.71Å
456R96.6Very high89.5Confident120 Ų12059 Ų5945%0.45332%0.323SS..EExtended strand (participates in β ladder)trans-73.1124.2-179.9176.9176.1170.7176.10.5110.2D65 D523 G524 R525D65-R456 HydrophobicContact CB-CB 4.1Å; D65-R456 PolarHBondContact O-N 3.43Å; D65-R456 WeakPolarHBondContact OD2-CD 3.49Å; D65-R456 IonicContact OD2-CZ 3.57Å; D65-R456 IonicContact OD2-NH1 2.72Å; D65-R456 PolarHBondContact OD2-NH1 2.72Å; D65-R456 VanDerWaalsContact OD2-NH1 3.08Å; R456-D523 HydrophobicContact CG-CB 4.14Å; R456-D523 IonicContact CZ-OD2 2.71Å; R456-D523 IonicContact NE-OD2 3.23Å; R456-D523 PolarHBondContact NE-OD2 3.47Å; R456-D523 IonicContact NH2-OD2 3.47Å; R456-D523 PolarHBondContact NH2-OD2 2.9Å; R456-G524 CarbonylContact C-O 3.1Å; R456-G524 VanDerWaalsContact CA-O 3.29Å; R456-G524 WeakPolarHBondContact CA-O 3.43Å; R456-R525 HydrophobicContact CB-CG 4.49Å
457R95.9Very high90Very high46 Ų4655 Ų5517%0.17428%0.28CS..EExtended strand (participates in β ladder)trans-130.9154.2171.8-51-66.4177.292.918.6110.5E442 R453 L454 G455 D523 G524 H526 E553E442-R457 IonicContact OE1-CZ 2.7Å; E442-R457 VanDerWaalsContact OE1-CZ 3.3Å; E442-R457 IonicContact OE1-NH1 3.26Å; E442-R457 PolarHBondContact OE1-NH1 3.32Å; E442-R457 IonicContact OE1-NH2 3.07Å; E442-R457 PolarHBondContact OE1-NH2 3.48Å; E442-R457 IonicContact OE2-CZ 3.72Å; E442-R457 IonicContact OE2-NH1 3.08Å; E442-R457 PolarHBondContact OE2-NH1 2.96Å; E442-R457 IonicContact OE2-NH2 3.62Å; E442-R457 PolarHBondContact OE2-NH2 2.96Å; R453-R457 VanDerWaalsContact NH1-NH1 3.14Å; L454-R457 PolarHBondContact O-NE 3.45Å; L454-R457 PolarHBondContact O-NH2 3.35Å; G455-R457 PolarHBondContact O-N 2.92Å; R457-D523 WeakPolarHBondContact O-CA 3.26Å; R457-G524 PolarHBondContact N-O 3.47Å; R457-G524 PolarHBondContact O-N 3.27Å; R457-H526 VanDerWaalsContact CB-CE1 3.48Å; R457-H526 WeakPolarHBondContact CB-CE1 3.4Å; R457-E553 WeakPolarHBondContact CD-OE1 3.29Å; R457-E553 IonicContact CZ-OE1 3.27Å; R457-E553 IonicContact NE-OE1 2.8Å; R457-E553 IonicContact NH1-OE1 2.75Å; R457-E553 PolarHBondContact NH1-OE1 3.45Å; R457-E553 IonicContact NH1-OE2 3.58Å; R457-E553 PolarHBondContact NH1-OE2 3.12Å
458R96.9Very high90.5Very high107 Ų10754.1 Ų54.140%0.40427%0.273SS..EExtended strand (participates in β ladder)trans-89.1131.6177.8-176.9166.1-69.9178.3-2110.8L460 Y521 D523 A552R458-L460 HydrophobicContact CG-CD2 4.37Å; R458-Y521 HydrophobicContact CG-CD2 3.91Å; R458-Y521 HydrophobicContact CG-CG 4.01Å; R458-D523 WeakPolarHBondContact CA-OD1 3.25Å; R458-D523 VanDerWaalsContact CB-OD1 3.27Å; R458-D523 WeakPolarHBondContact CB-OD1 3.39Å; R458-D523 WeakPolarHBondContact CG-OD1 3.37Å; R458-D523 IonicContact NE-OD1 3.5Å; R458-D523 PolarHBondContact NE-OD1 3.14Å; R458-D523 IonicContact NH2-OD2 3.36Å; R458-A552 HydrophobicContact CB-CB 3.83Å; R458-A552 HydrophobicContact CG-CB 3.84Å; R458-A552 VanDerWaalsContact O-CB 3.29Å; R458-A552 WeakPolarHBondContact O-CB 3.37Å; R458-A552 PolarHBondContact O-N 3.06Å
459T96.6Very high91.3Very high0 Ų047.4 Ų47.40%025%0.245CC..EExtended strand (participates in β ladder)trans-111.2118.7173.5-62.50000109.1Y521 F522 R550 E559 I560T459-Y521 CarbonylContact O-C 3.56Å; T459-Y521 WeakPolarHBondContact O-CA 3.43Å; T459-Y521 VanDerWaalsContact O-CB 3.26Å; T459-Y521 WeakPolarHBondContact O-CB 3.4Å; T459-F522 WeakPolarHBondContact CB-O 3.38Å; T459-F522 PolarHBondContact N-O 2.87Å; T459-F522 PolarHBondContact O-N 3.33Å; T459-R550 CarbonylContact C-O 3.6Å; T459-R550 VanDerWaalsContact CA-O 3.32Å; T459-R550 WeakPolarHBondContact CA-O 3.48Å; T459-E559 HydrophobicContact CG2-CB 3.5Å; T459-E559 HydrophobicContact CG2-CG 4.07Å; T459-I560 HydrophobicContact CG2-CD1 4.09Å; T459-I560 HydrophobicContact CG2-CG1 4.24Å
460L96.1Very high91.9Very high69 Ų6946 Ų4636%0.36122%0.224SC..EExtended strand (participates in β ladder)trans-81.6136.7174.9-60-179.9000110.2R458 G549 R550 A552R458-L460 HydrophobicContact CG-CD2 4.37Å; L460-G549 WeakPolarHBondContact O-CA 3.48Å; L460-R550 PolarHBondContact N-O 2.97Å; L460-R550 PolarHBondContact O-N 3.02Å; L460-A552 HydrophobicContact CD1-CB 4.05Å; L460-A552 HydrophobicContact CD2-CB 4.02Å; L460-A552 HydrophobicContact CG-CB 3.67Å
461L93.4Very high92.4Very high14 Ų1444.3 Ų44.37%0.07321%0.205CC..EExtended strand (participates in β ladder)trans-100.8114.1-178.6-69.7144.3000109.6H514 I517 A519 P520 F522 V548 I560L461-H514 VanDerWaalsContact C-CE1 3.46Å; L461-H514 PolarHBondContact O-CE1 2.89Å; L461-I517 HydrophobicContact CD1-CB 4.2Å; L461-I517 HydrophobicContact CD1-CD1 3.96Å; L461-I517 HydrophobicContact CD1-CG2 3.56Å; L461-I517 HydrophobicContact CD2-CD1 3.58Å; L461-I517 HydrophobicContact CG-CD1 4.42Å; L461-A519 WeakPolarHBondContact CD1-O 3.37Å; L461-P520 PolarHBondContact N-O 3.28Å; L461-F522 HydrophobicContact CD1-CB 4.38Å; L461-V548 WeakPolarHBondContact CA-O 3.3Å; L461-V548 HydrophobicContact CD2-CG1 3.94Å; L461-I560 HydrophobicContact CD2-CD1 4.03Å
462Y88.7Confident92.4Very high105 Ų10547.5 Ų47.541%0.41222%0.218SC..  trans-158.2151.817270.6-87.6000111.8V548 R550Y462-V548 PolarHBondContact N-O 2.95Å; Y462-V548 VanDerWaalsContact N-O 3.09Å; Y462-R550 HydrophobicContact CE1-CB 4.2Å; Y462-R550 HydrophobicContact CE1-CG 4.43Å; Y462-R550 WeakPolarHBondContact OH-CD 3.4Å
463L90.2Very high92.1Very high31 Ų3154.3 Ų54.316%0.16224%0.242CC..  trans-95.3130.6172.5-59.6-178000110K468 L471 I546 V548L463-K468 HydrophobicContact CB-CG 4.07Å; L463-K468 WeakPolarHBondContact O-CE 3.35Å; L463-L471 HydrophobicContact CD1-CD1 3.94Å; L463-I546 HydrophobicContact CD2-CD1 3.56Å; L463-V548 HydrophobicContact CD2-CG2 4.36Å
464S91.3Very high91.7Very high18 Ų1856 Ų5613%0.12625%0.253CS..  trans-64.4161.1170.470.30000111.3I466 S467 K468 E541S464-I466 PolarHBondContact O-N 3.37Å; S464-I466 PolarHBondContact OG-N 3.29Å; S464-S467 PolarHBondContact O-N 3.06Å; S464-S467 WeakPolarHBondContact OG-CB 3.38Å; S464-S467 PolarHBondContact OG-N 3.43Å; S464-S467 PolarHBondContact OG-OG 3.19Å; S464-K468 WeakPolarHBondContact O-CG 3.34Å; S464-K468 PolarHBondContact O-N 3.45Å; S464-E541 VanDerWaalsContact CB-OE2 3.25Å; S464-E541 WeakPolarHBondContact CB-OE2 3.4Å; S464-E541 PolarHBondContact OG-OE1 3.05Å; S464-E541 PolarHBondContact OG-OE2 3.45Å
465E92.6Very high91.1Very high134 Ų13454.8 Ų54.863%0.62625%0.246SC*.Hα-helixtrans-61.6-32.1173.3-65.6-53.2126.800112.1K468 S469E465-K468 PolarHBondContact O-N 3.15Å; E465-K468 IonicContact OE1-NZ 2.58Å; E465-K468 PolarHBondContact OE1-NZ 3Å; E465-S469 WeakPolarHBondContact O-CB 3.22Å; E465-S469 PolarHBondContact O-N 2.95Å
466I93Very high89.7Confident39 Ų3960 Ų6020%0.227%0.268CS..Hα-helixtrans-63-48.2174-61.5176.8000110.4S464 K468 S469 Y470 D538 E541 E542S464-I466 PolarHBondContact O-N 3.37Å; S464-I466 PolarHBondContact OG-N 3.29Å; I466-K468 PolarHBondContact O-N 2.92Å; I466-S469 WeakPolarHBondContact O-CB 3.32Å; I466-S469 PolarHBondContact O-N 3.39Å; I466-Y470 WeakPolarHBondContact O-CB 3.2Å; I466-Y470 PolarHBondContact O-N 2.99Å; I466-D538 HydrophobicContact CD1-CB 3.64Å; I466-D538 VanDerWaalsContact CD1-CG 3.48Å; I466-D538 WeakPolarHBondContact CD1-OD1 3.21Å; I466-E541 HydrophobicContact CB-CB 4.29Å; I466-E541 HydrophobicContact CG2-CB 3.67Å; I466-E542 HydrophobicContact CG2-CB 4.3Å; I466-E542 HydrophobicContact CG2-CG 3.5Å; I466-E542 VanDerWaalsContact CG2-CG 3.5Å
467S91Very high87.5Confident0 Ų058.8 Ų58.80%028%0.277CS..Hα-helixtrans-62.4-43.1178.4-64.20000112S464 Y470 L471 E541 I546S464-S467 PolarHBondContact O-N 3.06Å; S464-S467 WeakPolarHBondContact OG-CB 3.38Å; S464-S467 PolarHBondContact OG-N 3.43Å; S464-S467 PolarHBondContact OG-OG 3.19Å; S467-Y470 PolarHBondContact O-N 3.05Å; S467-L471 PolarHBondContact O-N 3.2Å; S467-E541 VanDerWaalsContact OG-CD 3.27Å; S467-E541 PolarHBondContact OG-OE1 2.96Å; S467-I546 WeakPolarHBondContact OG-CB 3.32Å; S467-I546 WeakPolarHBondContact OG-CG2 3.27Å
468K89.8Confident84.6Confident83 Ų8361.1 Ų61.136%0.36130%0.301SS..Hα-helixtrans-62.1-44.5174.2-68.4174.8-169.4169.10111.2L463 S464 E465 I466 L471 Q472L463-K468 HydrophobicContact CB-CG 4.07Å; L463-K468 WeakPolarHBondContact O-CE 3.35Å; S464-K468 WeakPolarHBondContact O-CG 3.34Å; S464-K468 PolarHBondContact O-N 3.45Å; E465-K468 PolarHBondContact O-N 3.15Å; E465-K468 IonicContact OE1-NZ 2.58Å; E465-K468 PolarHBondContact OE1-NZ 3Å; I466-K468 PolarHBondContact O-N 2.92Å; K468-L471 PolarHBondContact O-N 2.91Å; K468-Q472 VanDerWaalsContact O-CB 3.32Å; K468-Q472 WeakPolarHBondContact O-CB 3.44Å; K468-Q472 VanDerWaalsContact O-CG 3.24Å; K468-Q472 WeakPolarHBondContact O-CG 3.16Å; K468-Q472 PolarHBondContact O-N 3.42Å
469S91Very high81.6Confident50 Ų5064.1 Ų64.135%0.3532%0.319SS..Hα-helixtrans-62.9-40.2176.4178.90000112E465 I466 Q472 R473E465-S469 WeakPolarHBondContact O-CB 3.22Å; E465-S469 PolarHBondContact O-N 2.95Å; I466-S469 WeakPolarHBondContact O-CB 3.32Å; I466-S469 PolarHBondContact O-N 3.39Å; S469-Q472 PolarHBondContact O-N 2.83Å; S469-R473 WeakPolarHBondContact O-CB 3.14Å; S469-R473 VanDerWaalsContact O-CG 3.29Å; S469-R473 WeakPolarHBondContact O-CG 3.35Å; S469-R473 PolarHBondContact O-N 3.42Å; S469-R473 PolarHBondContact O-NE 3.44Å
470Y90.2Very high78.5Confident19 Ų1971.2 Ų71.28%0.07536%0.356CS..Hα-helixtrans-62-51.1173.9-179.4-87000111.7I466 S467 Q472 R473 T474 E542 G544 L564 Q565I466-Y470 WeakPolarHBondContact O-CB 3.2Å; I466-Y470 PolarHBondContact O-N 2.99Å; S467-Y470 PolarHBondContact O-N 3.05Å; Y470-Q472 VanDerWaalsContact C-N 3.27Å; Y470-Q472 PolarHBondContact O-N 3.03Å; Y470-R473 PolarHBondContact O-N 2.95Å; Y470-T474 HydrophobicContact CE1-CG2 4.27Å; Y470-T474 WeakPolarHBondContact O-CB 3.43Å; Y470-T474 PolarHBondContact O-N 3.09Å; Y470-T474 PolarHBondContact O-OG1 2.6Å; Y470-E542 WeakPolarHBondContact CD2-O 3.27Å; Y470-G544 VanDerWaalsContact CE1-CA 3.49Å; Y470-L564 HydrophobicContact CD1-CB 4.17Å; Y470-L564 HydrophobicContact CD1-CD1 4.32Å; Y470-L564 HydrophobicContact CE1-CB 3.77Å; Y470-Q565 WeakPolarHBondContact OH-CA 3.37Å
471L85.6Confident75.5Confident10 Ų1075.6 Ų75.65%0.05238%0.378CS..Hα-helixtrans-53.8-47.7176.6-86.3165.9000111.3L463 S467 K468 Y475 L564L463-L471 HydrophobicContact CD1-CD1 3.94Å; S467-L471 PolarHBondContact O-N 3.2Å; K468-L471 PolarHBondContact O-N 2.91Å; L471-Y475 HydrophobicContact CD2-CD2 3.98Å; L471-Y475 HydrophobicContact CD2-CE2 4.33Å; L471-Y475 WeakPolarHBondContact O-CB 3.31Å; L471-Y475 PolarHBondContact O-N 2.93Å; L471-L564 HydrophobicContact CD1-CD1 4.05Å; L471-L564 HydrophobicContact CD2-CD1 3.54Å; L471-L564 HydrophobicContact CD2-CD2 4.47Å; L471-L564 HydrophobicContact CG-CD1 3.55Å
472Q85.3Confident72.5Confident95 Ų9580.9 Ų80.944%0.44442%0.415SS..Hα-helixtrans-59.4-55.1176.4-78.6-173.618.400111.5K468 S469 Y470 T474 K476K468-Q472 VanDerWaalsContact O-CB 3.32Å; K468-Q472 WeakPolarHBondContact O-CB 3.44Å; K468-Q472 VanDerWaalsContact O-CG 3.24Å; K468-Q472 WeakPolarHBondContact O-CG 3.16Å; K468-Q472 PolarHBondContact O-N 3.42Å; S469-Q472 PolarHBondContact O-N 2.83Å; Y470-Q472 VanDerWaalsContact C-N 3.27Å; Y470-Q472 PolarHBondContact O-N 3.03Å; Q472-T474 VanDerWaalsContact C-N 3.33Å; Q472-T474 PolarHBondContact O-N 3.13Å; Q472-K476 HydrophobicContact CB-CD 3.82Å; Q472-K476 HydrophobicContact CB-CG 4.18Å; Q472-K476 HydrophobicContact CG-CD 4.38Å; Q472-K476 WeakPolarHBondContact O-CA 3.48Å; Q472-K476 WeakPolarHBondContact O-CB 3.43Å; Q472-K476 VanDerWaalsContact O-CD 3.26Å; Q472-K476 WeakPolarHBondContact O-CD 3.25Å; Q472-K476 WeakPolarHBondContact O-CG 3.34Å; Q472-K476 PolarHBondContact O-N 3.27Å
473R86.6Confident69.6Low159 Ų15980.1 Ų80.160%0.643%0.431SS*.Hα-helixtrans-61.9-38.6-177.2-71.9179.4-62.9157.73.7113.2S469 Y470S469-R473 WeakPolarHBondContact O-CB 3.14Å; S469-R473 VanDerWaalsContact O-CG 3.29Å; S469-R473 WeakPolarHBondContact O-CG 3.35Å; S469-R473 PolarHBondContact O-N 3.42Å; S469-R473 PolarHBondContact O-NE 3.44Å; Y470-R473 PolarHBondContact O-N 2.95Å
474T84.7Confident66.9Low38 Ų3886.3 Ų86.323%0.23346%0.459CS..Hα-helixtrans-83.3-33.9-173.3-56.60000112.9Y470 Q472 P566 P581Y470-T474 HydrophobicContact CE1-CG2 4.27Å; Y470-T474 WeakPolarHBondContact O-CB 3.43Å; Y470-T474 PolarHBondContact O-N 3.09Å; Y470-T474 PolarHBondContact O-OG1 2.6Å; Q472-T474 VanDerWaalsContact C-N 3.33Å; Q472-T474 PolarHBondContact O-N 3.13Å; T474-P566 HydrophobicContact CG2-CG 3.6Å; T474-P581 HydrophobicContact CG2-CG 4.34Å; T474-P581 VanDerWaalsContact O-CG 3.29Å; T474-P581 WeakPolarHBondContact O-CG 3.25Å
475Y81.6Confident64.2Low12 Ų1293.1 Ų93.15%0.04749%0.493CS..Hα-helixtrans-120.72.6-170.6-64.3-72.8000114.7L471 C477 C508 L564 P581 R583L471-Y475 HydrophobicContact CD2-CD2 3.98Å; L471-Y475 HydrophobicContact CD2-CE2 4.33Å; L471-Y475 WeakPolarHBondContact O-CB 3.31Å; L471-Y475 PolarHBondContact O-N 2.93Å; Y475-C477 PolarHBondContact O-N 2.67Å; Y475-C508 WeakPolarHBondContact CB-O 3.34Å; Y475-C508 HydrophobicContact CD1-CB 4.24Å; Y475-C508 HydrophobicContact CG-CB 4.42Å; Y475-C508 VanDerWaalsContact CG-O 3.32Å; Y475-L564 HydrophobicContact CE2-CB 4.41Å; Y475-L564 WeakPolarHBondContact CE2-O 3.44Å; Y475-L564 PolarHBondContact OH-O 2.97Å; Y475-P581 HydrophobicContact CD1-CG 3.88Å; Y475-P581 HydrophobicContact CE1-CB 4.32Å; Y475-P581 HydrophobicContact CE1-CG 3.9Å; Y475-R583 HydrophobicContact CE1-CB 4.42Å; Y475-R583 WeakPolarHBondContact OH-CB 3.31Å; Y475-R583 WeakPolarHBondContact OH-CG 3.28Å
476K66.1Low61.4Low111 Ų11195 Ų9548%0.48351%0.507SS..  trans-59.9106178.6-95.9170.3174.6174.90112Q472Q472-K476 HydrophobicContact CB-CD 3.82Å; Q472-K476 HydrophobicContact CB-CG 4.18Å; Q472-K476 HydrophobicContact CG-CD 4.38Å; Q472-K476 WeakPolarHBondContact O-CA 3.48Å; Q472-K476 WeakPolarHBondContact O-CB 3.43Å; Q472-K476 VanDerWaalsContact O-CD 3.26Å; Q472-K476 WeakPolarHBondContact O-CD 3.25Å; Q472-K476 WeakPolarHBondContact O-CG 3.34Å; Q472-K476 PolarHBondContact O-N 3.27Å
477C51.1Low58.4Low95 Ų9596.5 Ų96.564%0.64252%0.521SS*.  trans-64.3134.7138.1-75.40000109Y475Y475-C477 PolarHBondContact O-N 2.67Å
478S35Very low55.7Low95 Ų95105.3 Ų105.366%0.66456%0.562SS**  trans-17.7134168.4170.10000116.3L480S478-L480 PolarHBondContact O-N 3.39Å
479E32.8Very low52.8Low170 Ų170109.3 Ų109.379%0.79459%0.587SS**SBendtrans-55.225.4-174.8-71.9178.6152.100118
480L33.3Very low49.8Very low149 Ų149116.5 Ų116.578%0.7861%0.612SS**SBendtrans-98.71-170.9-83.4155.1000116.6S478S478-L480 PolarHBondContact O-N 3.39Å
481I33.1Very low46.9Very low160 Ų160122.5 Ų122.582%0.82165%0.65SS**SBendtrans-144.853.5-175.2-42.4175.6000113.5
482C28.5Very low44Very low125 Ų125127.4 Ų127.485%0.84569%0.685SS**  trans-129.745.5173.8-83.40000113.2
483A29Very low41.4Very low90 Ų90128.3 Ų128.374%0.74470%0.699SS**  trans-106.527.317500000113.8
484H33.9Very low38.7Very low161 Ų161129.7 Ų129.775%0.74571%0.712SS**SBendtrans-1337.6-174.4-100.355.1000116.4
485L34.4Very low36Very low160 Ų160134.3 Ų134.384%0.83875%0.745SS**SBendtrans-103.5-6.9177.9-80.1156.9000114.5
486D33.1Very low33.3Very low173 Ų173145.4 Ų145.493%0.92579%0.786SS**SBendtrans-106.69.9179.4-79.1-25.6000114.9
487S31.4Very low31.5Very low72 Ų72144 Ų14450%0.50380%0.796SS.*  trans-119.910.5-173.365.70000117.2L489S487-L489 PolarHBondContact O-N 3.45Å
488Q32.5Very low30.4Very low184 Ų184146.5 Ų146.586%0.8680%0.803SS**  trans-76.926.2-179.9-67.7-137.7-12.400115.9
489L30.1Very low30.2Very low167 Ų167149.3 Ų149.387%0.87481%0.811SS**SBendtrans-113.464.9163.5-81.4158.8000109.4S487S487-L489 PolarHBondContact O-N 3.45Å
490K28Very low30Very low201 Ų201146.4 Ų146.487%0.87481%0.809SS**  trans170.7114.2154.8-95155.7-170.1-174.70110.5
491V28.5Very low29.8Very low145 Ų145146.9 Ų146.988%0.87981%0.812SS**  trans-96.7126.8176176.80000109.7
492S25.4Very low29.7Very low113 Ų113145.1 Ų145.179%0.7981%0.809SS**  trans-145.2128155.256.30000108.4
493P30.8Very low29.8Very low114 Ų114144.3 Ų144.374%0.7481%0.805SS**  trans-101117.8-172.434.3-25.5000111.3
494E28.9Very low30.1Very low188 Ų188145.2 Ų145.288%0.87981%0.806SS**  trans-168.9110.3159.4-109.4165.9-14600109.5
495C28.9Very low30.2Very low135 Ų135146.2 Ų146.291%0.91281%0.808SS**  trans163.2132.3133.2-85.60000112.4
496R24.2Very low30.5Very low245 Ų245143.2 Ų143.293%0.92580%0.797SS**  trans-91.7155.9-179.2-71.5174.5169.2167.9-3.2111.5
497A28.9Very low31.1Very low83 Ų83137.5 Ų137.569%0.68676%0.763SS**  trans88.2130.6141.500000120.2
498N28.1Very low31.8Very low147 Ų147136 Ų13679%0.78675%0.753SS**  trans81.595.7151.8-56.7-15000117.9
499D30.3Very low33Very low154 Ų154130.3 Ų130.382%0.82473%0.733SS**  -168.8117.4121.8-93.8-21.6000111.7
500S27.8Very low35.2Very low108 Ų108125.4 Ų125.476%0.75571%0.708SS**  trans-89.2105.217150.90000108.9
501N29.3Very low38Very low159 Ų159115.9 Ų115.985%0.8567%0.666SS**SBendtrans159.443.3150.6-81.2-20000115
502T31.3Very low41Very low123 Ų123109.4 Ų109.476%0.75563%0.627SS**  trans-137.524.5-175.528.70000115.7
503S32.2Very low44.2Very low108 Ų108104 Ų10476%0.75559%0.589SS**THydrogen-bonded Turntrans-87.7-4.4-170.257.50000117.4
504S33.7Very low46.9Very low110 Ų110101.2 Ų101.277%0.76957%0.566SS**THydrogen-bonded Turntrans-99-0.3-171109.30000116.9
505K37Very low49.8Very low181 Ų18194.5 Ų94.579%0.78753%0.533SS*.SBendtrans-103.8-1.5-165.3-77.6-177.21761790116.7
506T39.9Very low52.7Low98 Ų9888.1 Ų88.160%0.60149%0.49SS*.SBendtrans-9811.5-168.4-18.90000115.7R515T506-R515 PolarHBondContact O-NH2 3Å
507F45.2Very low55.9Low52 Ų5276.7 Ų76.723%0.22845%0.447CS..SBendtrans-104.9-15.1-174.3-131.2-88.1000114.5S509 R515 V622 Q623F507-S509 PolarHBondContact O-N 2.91Å; F507-R515 VanDerWaalsContact CD2-NH1 3.31Å; F507-V622 HydrophobicContact CE2-CB 4.14Å; F507-V622 HydrophobicContact CE2-CG1 3.85Å; F507-V622 HydrophobicContact CZ-CB 3.83Å; F507-V622 HydrophobicContact CZ-CG1 3.61Å; F507-Q623 HydrophobicContact CD2-CG 3.99Å; F507-Q623 HydrophobicContact CE2-CG 3.79Å
508C47.4Very low58.7Low41 Ų4176.4 Ų76.428%0.27743%0.434SS..THydrogen-bonded Turntrans-72.2-10.1-176.7-98.90000112.4Y475 C580Y475-C508 WeakPolarHBondContact CB-O 3.34Å; Y475-C508 HydrophobicContact CD1-CB 4.24Å; Y475-C508 HydrophobicContact CG-CB 4.42Å; Y475-C508 VanDerWaalsContact CG-O 3.32Å; C508-C580 WeakPolarHBondContact CB-SG 3.27Å; C508-C580 WeakPolarHBondContact SG-CB 3.41Å; C508-C580 CovalentContact SG-SG 2.13Å; C508-C580 PolarHBondContact SG-SG 2.83Å
509S56.4Low61.5Low65 Ų6571.4 Ų71.446%0.45541%0.413SS..THydrogen-bonded Turntrans-106.9-13.5-17062.80000118.8F507F507-S509 PolarHBondContact O-N 2.91Å
510D77.6Confident64.4Low63 Ų6368.6 Ų68.634%0.33740%0.403SS..SBendtrans-121153.9-165.4-62.52.8000113.4R515 R583D510-R515 VanDerWaalsContact CG-NH2 3.34Å; D510-R515 IonicContact OD2-CZ 3.28Å; D510-R515 VanDerWaalsContact OD2-CZ 3.28Å; D510-R515 IonicContact OD2-NE 3.06Å; D510-R515 PolarHBondContact OD2-NE 3.4Å; D510-R515 IonicContact OD2-NH2 2.67Å; D510-R515 PolarHBondContact OD2-NH2 2.88Å; D510-R583 PolarHBondContact O-NH1 3.43Å; D510-R583 PolarHBondContact O-NH2 2.92Å
511S87.4Confident67.6Low1 Ų166.7 Ų66.71%0.00738%0.379CS..  trans-67.8131.9170.4158.10000110.9M513 H514 R515 E562S511-M513 PolarHBondContact O-N 3.43Å; S511-M513 PolarHBondContact OG-N 3.41Å; S511-H514 PolarHBondContact OG-N 3.2Å; S511-H514 VanDerWaalsContact OG-N 3.14Å; S511-R515 PolarHBondContact O-N 3.34Å; S511-E562 WeakPolarHBondContact CB-OE2 3.4Å; S511-E562 PolarHBondContact OG-OE2 3.11Å
512I90.3Very high70.7Confident9 Ų959.9 Ų59.95%0.04634%0.343CS..Hα-helixtrans-62.5-38.7174.8-68.9166.2000109.1R515 L516 E562 F586 L618I512-R515 PolarHBondContact O-N 3.19Å; I512-L516 HydrophobicContact CG2-CD1 3.69Å; I512-L516 HydrophobicContact CG2-CG 4.05Å; I512-L516 WeakPolarHBondContact O-CB 3.36Å; I512-L516 WeakPolarHBondContact O-CG 3.37Å; I512-L516 PolarHBondContact O-N 3.5Å; I512-E562 VanDerWaalsContact CB-OE1 3.31Å; I512-E562 WeakPolarHBondContact CB-OE1 3.49Å; I512-E562 PolarHBondContact N-OE1 2.99Å; I512-E562 PolarHBondContact N-OE2 2.96Å; I512-F586 HydrophobicContact CG2-CD2 4.33Å; I512-L618 HydrophobicContact CD1-CD2 4.48Å; I512-L618 HydrophobicContact CG2-CD2 3.98Å
513M91.8Very high73.7Confident0 Ų055.5 Ų55.50%031%0.314CS..Hα-helixtrans-68.5-42.9-177.8-72.5-49.6-46.600113.6S511 R515 L516 I517 V548 I560 E562 F586 V588 F606S511-M513 PolarHBondContact O-N 3.43Å; S511-M513 PolarHBondContact OG-N 3.41Å; M513-R515 VanDerWaalsContact C-N 3.25Å; M513-R515 PolarHBondContact O-N 3.46Å; M513-L516 PolarHBondContact O-N 2.73Å; M513-L516 HydrophobicContact SD-CD1 4.2Å; M513-I517 HydrophobicContact CE-CD1 3.58Å; M513-I517 HydrophobicContact CE-CG1 3.81Å; M513-I517 WeakPolarHBondContact O-CB 3.23Å; M513-I517 WeakPolarHBondContact O-CG1 3.2Å; M513-I517 PolarHBondContact O-N 2.96Å; M513-V548 HydrophobicContact CB-CG1 3.97Å; M513-I560 HydrophobicContact CG-CG2 4.22Å; M513-E562 PolarHBondContact N-OE2 3.5Å; M513-F586 HydrophobicContact SD-CE2 4.41Å; M513-V588 HydrophobicContact CG-CG1 3.89Å; M513-V588 HydrophobicContact CG-CG2 3.75Å; M513-V588 HydrophobicContact SD-CB 4.24Å; M513-V588 HydrophobicContact SD-CG1 3.64Å; M513-V588 HydrophobicContact SD-CG2 3.66Å; M513-F606 HydrophobicContact CE-CD1 3.56Å; M513-F606 HydrophobicContact CE-CE1 3.11Å; M513-F606 HydrophobicContact CE-CG 4.44Å; M513-F606 HydrophobicContact CE-CZ 3.65Å; M513-F606 HydrophobicContact SD-CD1 4.21Å; M513-F606 HydrophobicContact SD-CE1 4.14Å
514H89.2Confident76.7Confident56 Ų5650.4 Ų50.426%0.25928%0.279SS..Hα-helixtrans-55.5-45.2172.4-94.9-78.5000111.4L461 S511 N518L461-H514 VanDerWaalsContact C-CE1 3.46Å; L461-H514 PolarHBondContact O-CE1 2.89Å; S511-H514 PolarHBondContact OG-N 3.2Å; S511-H514 VanDerWaalsContact OG-N 3.14Å; H514-N518 PolarHBondContact O-N 2.96Å
515R88.4Confident79.8Confident47 Ų4745.3 Ų45.318%0.17724%0.243CC..Hα-helixtrans-66.3-52.8176.9-65.1-169.3178.6-177.32.5110.1T506 F507 D510 S511 I512 M513 I517 N518 V622 R627T506-R515 PolarHBondContact O-NH2 3Å; F507-R515 VanDerWaalsContact CD2-NH1 3.31Å; D510-R515 VanDerWaalsContact CG-NH2 3.34Å; D510-R515 IonicContact OD2-CZ 3.28Å; D510-R515 VanDerWaalsContact OD2-CZ 3.28Å; D510-R515 IonicContact OD2-NE 3.06Å; D510-R515 PolarHBondContact OD2-NE 3.4Å; D510-R515 IonicContact OD2-NH2 2.67Å; D510-R515 PolarHBondContact OD2-NH2 2.88Å; S511-R515 PolarHBondContact O-N 3.34Å; I512-R515 PolarHBondContact O-N 3.19Å; M513-R515 VanDerWaalsContact C-N 3.25Å; M513-R515 PolarHBondContact O-N 3.46Å; R515-I517 PolarHBondContact O-N 3.29Å; R515-N518 PolarHBondContact O-N 3.24Å; R515-V622 HydrophobicContact CB-CG1 3.54Å; R515-V622 HydrophobicContact CG-CG1 4.03Å; R515-R627 VanDerWaalsContact C-NH1 3.32Å; R515-R627 PolarHBondContact O-NH1 2.9Å; R515-R627 PolarHBondContact O-NH2 2.48Å
516L90.6Very high82.6Confident1 Ų136.7 Ų36.71%0.00521%0.205CC..Hα-helixtrans-55.4-48.9-177.5-81.2179.7000113.1I512 M513 F586 I605 L618 Y621 V622I512-L516 HydrophobicContact CG2-CD1 3.69Å; I512-L516 HydrophobicContact CG2-CG 4.05Å; I512-L516 WeakPolarHBondContact O-CB 3.36Å; I512-L516 WeakPolarHBondContact O-CG 3.37Å; I512-L516 PolarHBondContact O-N 3.5Å; M513-L516 PolarHBondContact O-N 2.73Å; M513-L516 HydrophobicContact SD-CD1 4.2Å; L516-F586 HydrophobicContact CD1-CE2 4.01Å; L516-I605 HydrophobicContact CB-CD1 4.49Å; L516-I605 HydrophobicContact CB-CG1 3.8Å; L516-I605 HydrophobicContact CD2-CD1 4.12Å; L516-I605 HydrophobicContact CD2-CG1 4.26Å; L516-I605 HydrophobicContact CG-CG1 4.49Å; L516-I605 WeakPolarHBondContact O-CG1 3.32Å; L516-L618 HydrophobicContact CD1-CD1 4.22Å; L516-L618 HydrophobicContact CD2-CD1 3.89Å; L516-L618 HydrophobicContact CG-CD1 4.38Å; L516-Y621 HydrophobicContact CD2-CD1 4.17Å; L516-Y621 HydrophobicContact CD2-CE1 4.15Å; L516-V622 HydrophobicContact CD2-CG2 3.87Å; L516-V622 HydrophobicContact CG-CG2 4.29Å
517I90.4Very high85.3Confident5 Ų533.1 Ų33.13%0.02618%0.181CC..Hα-helixtrans-69.2-38-178.5-67.3164000111.5L461 M513 R515 A519 F522 I560 I605 F606L461-I517 HydrophobicContact CD1-CB 4.2Å; L461-I517 HydrophobicContact CD1-CD1 3.96Å; L461-I517 HydrophobicContact CD1-CG2 3.56Å; L461-I517 HydrophobicContact CD2-CD1 3.58Å; L461-I517 HydrophobicContact CG-CD1 4.42Å; M513-I517 HydrophobicContact CE-CD1 3.58Å; M513-I517 HydrophobicContact CE-CG1 3.81Å; M513-I517 WeakPolarHBondContact O-CB 3.23Å; M513-I517 WeakPolarHBondContact O-CG1 3.2Å; M513-I517 PolarHBondContact O-N 2.96Å; R515-I517 PolarHBondContact O-N 3.29Å; I517-A519 HydrophobicContact CG2-CB 3.97Å; I517-A519 PolarHBondContact O-N 3.36Å; I517-F522 HydrophobicContact CD1-CB 4.39Å; I517-F522 HydrophobicContact CG1-CD2 4.45Å; I517-F522 HydrophobicContact CG2-CB 4.42Å; I517-F522 HydrophobicContact CG2-CD2 4.32Å; I517-I560 HydrophobicContact CD1-CD1 4.08Å; I517-I605 HydrophobicContact CG1-CG2 4.03Å; I517-F606 HydrophobicContact CD1-CZ 3.93Å; I517-F606 HydrophobicContact CG1-CZ 4.45Å
518N87.7Confident87.7Confident77 Ų7730.8 Ų30.841%0.41217%0.171SC..  trans54.533177.6-158.148000114.2H514 R515 R627 Q632H514-N518 PolarHBondContact O-N 2.96Å; R515-N518 PolarHBondContact O-N 3.24Å; N518-R627 PolarHBondContact OD1-NH2 3.37Å; N518-Q632 PolarHBondContact ND2-OE1 3.15Å
519A88.7Confident89.9Confident41 Ų4133.7 Ų33.734%0.33918%0.176SC..SBendtrans-147.5156.8179.800000109.8L461 I517 Y521L461-A519 WeakPolarHBondContact CD1-O 3.37Å; I517-A519 HydrophobicContact CG2-CB 3.97Å; I517-A519 PolarHBondContact O-N 3.36Å; A519-Y521 PolarHBondContact O-N 3.31Å
520P91.1Very high91.8Very high95 Ų9532.5 Ų32.562%0.61716%0.162SC*.SBendtrans-73.4-16.2179.127.9-33.6000113.5L461L461-P520 PolarHBondContact N-O 3.28Å
521Y93.9Very high92.7Very high68 Ų6829.5 Ų29.527%0.26715%0.146SC..EExtended strand (participates in β ladder)trans-144.2164.4175.966.2-93.6000111.1R458 T459 A519R458-Y521 HydrophobicContact CG-CD2 3.91Å; R458-Y521 HydrophobicContact CG-CG 4.01Å; T459-Y521 CarbonylContact O-C 3.56Å; T459-Y521 WeakPolarHBondContact O-CA 3.43Å; T459-Y521 VanDerWaalsContact O-CB 3.26Å; T459-Y521 WeakPolarHBondContact O-CB 3.4Å; A519-Y521 PolarHBondContact O-N 3.31Å
522F94.2Very high93.3Very high17 Ų1729.5 Ų29.58%0.07515%0.146CC..EExtended strand (participates in β ladder)trans-131.5134.9169.7-174.6-91.6000109T459 L461 I517 F592 F606T459-F522 WeakPolarHBondContact CB-O 3.38Å; T459-F522 PolarHBondContact N-O 2.87Å; T459-F522 PolarHBondContact O-N 3.33Å; L461-F522 HydrophobicContact CD1-CB 4.38Å; I517-F522 HydrophobicContact CD1-CB 4.39Å; I517-F522 HydrophobicContact CG1-CD2 4.45Å; I517-F522 HydrophobicContact CG2-CB 4.42Å; I517-F522 HydrophobicContact CG2-CD2 4.32Å; F522-F592 HydrophobicContact CD1-CD2 4.49Å; F522-F592 HydrophobicContact CD1-CE1 4.2Å; F522-F592 AromaticContact CD1-CE2 3.73Å; F522-F592 HydrophobicContact CD1-CE2 3.73Å; F522-F592 AromaticContact CD1-CZ 3.55Å; F522-F592 HydrophobicContact CD1-CZ 3.55Å; F522-F592 HydrophobicContact CE1-CD2 4.05Å; F522-F592 AromaticContact CE1-CE2 3.38Å; F522-F592 HydrophobicContact CE1-CE2 3.38Å; F522-F592 AromaticContact CE1-CZ 3.74Å; F522-F592 HydrophobicContact CE1-CZ 3.74Å; F522-F592 HydrophobicContact CZ-CE2 4.36Å; F522-F606 HydrophobicContact CD1-CE2 4.13Å; F522-F606 HydrophobicContact CD1-CZ 4.47Å; F522-F606 HydrophobicContact CD2-CE2 4.18Å; F522-F606 AromaticContact CE1-CE2 3.78Å; F522-F606 HydrophobicContact CE1-CE2 3.78Å; F522-F606 AromaticContact CE2-CE2 3.83Å; F522-F606 HydrophobicContact CE2-CE2 3.83Å; F522-F606 HydrophobicContact CG-CE2 4.32Å; F522-F606 HydrophobicContact CZ-CD2 4.29Å; F522-F606 AromaticContact CZ-CE2 3.63Å; F522-F606 HydrophobicContact CZ-CE2 3.63Å
523D95.5Very high93.6Very high31 Ų3130.1 Ų30.117%0.16615%0.149CC..EExtended strand (participates in β ladder)trans-99120.7174.9-66.6-25.8000109.4R456 R457 R458R456-D523 HydrophobicContact CG-CB 4.14Å; R456-D523 IonicContact CZ-OD2 2.71Å; R456-D523 IonicContact NE-OD2 3.23Å; R456-D523 PolarHBondContact NE-OD2 3.47Å; R456-D523 IonicContact NH2-OD2 3.47Å; R456-D523 PolarHBondContact NH2-OD2 2.9Å; R457-D523 WeakPolarHBondContact O-CA 3.26Å; R458-D523 WeakPolarHBondContact CA-OD1 3.25Å; R458-D523 VanDerWaalsContact CB-OD1 3.27Å; R458-D523 WeakPolarHBondContact CB-OD1 3.39Å; R458-D523 WeakPolarHBondContact CG-OD1 3.37Å; R458-D523 IonicContact NE-OD1 3.5Å; R458-D523 PolarHBondContact NE-OD1 3.14Å; R458-D523 IonicContact NH2-OD2 3.36Å
524G95.3Very high93.8Very high1 Ų132.5 Ų32.51%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-125.4155.4-177.800000112.1R456 R457 H526R456-G524 CarbonylContact C-O 3.1Å; R456-G524 VanDerWaalsContact CA-O 3.29Å; R456-G524 WeakPolarHBondContact CA-O 3.43Å; R457-G524 PolarHBondContact N-O 3.47Å; R457-G524 PolarHBondContact O-N 3.27Å; G524-H526 PolarHBondContact O-CE1 2.65Å; G524-H526 PolarHBondContact O-ND1 3.19Å
525R97.4Very high94.2Very high2 Ų236.9 Ų36.91%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-94.4131.8174.1-68.1-171.1-174.3161.10.3110.9Y62 V63 D65 E78 G455 R456 F592 H593 Y596 T597Y62-R525 VanDerWaalsContact CE1-NH1 3.28Å; Y62-R525 PolarHBondContact OH-NH1 3.3Å; V63-R525 WeakPolarHBondContact O-CD 3.34Å; V63-R525 PolarHBondContact O-NH1 3.03Å; D65-R525 IonicContact OD1-CZ 3.74Å; D65-R525 IonicContact OD1-NE 2.66Å; D65-R525 PolarHBondContact OD1-NE 3.46Å; D65-R525 IonicContact OD1-NH2 2.75Å; D65-R525 PolarHBondContact OD1-NH2 3.07Å; E78-R525 IonicContact OE1-CZ 2.91Å; E78-R525 IonicContact OE1-NH1 3.37Å; E78-R525 IonicContact OE1-NH2 3.09Å; E78-R525 PolarHBondContact OE1-NH2 3.45Å; E78-R525 VanDerWaalsContact OE1-NH2 3.13Å; E78-R525 IonicContact OE2-CZ 2.71Å; E78-R525 VanDerWaalsContact OE2-CZ 3.27Å; E78-R525 IonicContact OE2-NH1 2.76Å; E78-R525 PolarHBondContact OE2-NH1 3.06Å; E78-R525 IonicContact OE2-NH2 3.17Å; E78-R525 PolarHBondContact OE2-NH2 3.38Å; G455-R525 CarbonylContact O-C 3.47Å; G455-R525 WeakPolarHBondContact O-CA 3.47Å; R456-R525 HydrophobicContact CB-CG 4.49Å; R525-F592 WeakPolarHBondContact O-CA 3.32Å; R525-F592 WeakPolarHBondContact O-CB 3.5Å; R525-H593 PolarHBondContact O-N 2.56Å; R525-Y596 HydrophobicContact CB-CD2 3.95Å; R525-T597 HydrophobicContact CG-CG2 4.31Å
526H97Very high94.6Very high0 Ų035.3 Ų35.30%018%0.177CC..EExtended strand (participates in β ladder)trans-111.4149.8-170.6-58.872.4000111.4R453 L454 G455 R457 G524 H528 E559R453-H526 HydrophobicContact CG-CB 4.04Å; R453-H526 CarbonylContact O-C 3.57Å; L454-H526 WeakPolarHBondContact CA-O 3.25Å; G455-H526 PolarHBondContact N-O 3.1Å; G455-H526 PolarHBondContact O-N 2.79Å; G455-H526 PolarHBondContact O-ND1 2.71Å; R457-H526 VanDerWaalsContact CB-CE1 3.48Å; R457-H526 WeakPolarHBondContact CB-CE1 3.4Å; G524-H526 PolarHBondContact O-CE1 2.65Å; G524-H526 PolarHBondContact O-ND1 3.19Å; H526-H528 AromaticContact CD2-NE2 3.24Å; H526-H528 PolarHBondContact CD2-NE2 3.45Å; H526-H528 AromaticContact CG-NE2 3.74Å; H526-E559 IonicContact CD2-OE1 3.71Å; H526-E559 IonicContact CD2-OE2 3.85Å; H526-E559 PolarHBondContact CD2-OE2 2.9Å; H526-E559 IonicContact NE2-OE1 3.94Å; H526-E559 IonicContact NE2-OE2 3.74Å; H526-E559 PolarHBondContact NE2-OE2 3.44Å; H526-E559 VanDerWaalsContact NE2-OE2 3.09Å
527R95.5Very high94.9Very high23 Ų2335.5 Ų35.59%0.08718%0.178CC..EExtended strand (participates in β ladder)trans-155.770172.4-165.8178-175.6-106.6-8.1111.3G51 V63 E69 M452 L454G51-R527 PolarHBondContact O-NH2 2.92Å; V63-R527 HydrophobicContact CG2-CB 4.1Å; V63-R527 HydrophobicContact CG2-CG 4.22Å; E69-R527 IonicContact OE1-CZ 3.91Å; E69-R527 IonicContact OE1-NE 2.71Å; E69-R527 PolarHBondContact OE1-NE 2.7Å; E69-R527 IonicContact OE1-NH2 2.8Å; E69-R527 PolarHBondContact OE1-NH2 3.44Å; M452-R527 HydrophobicContact SD-CB 4.41Å; M452-R527 HydrophobicContact SD-CG 3.58Å; M452-R527 VanDerWaalsContact SD-CG 3.58Å; L454-R527 HydrophobicContact CD2-CB 4.24Å; L454-R527 HydrophobicContact CD2-CG 3.86Å
528H94.9Very high95.2Very high3 Ų339.4 Ų39.41%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-152.1161.2-178.655.895.9000112.6M452 R453 H526 E531 Q591M452-H528 WeakPolarHBondContact CG-O 3.45Å; R453-H528 PolarHBondContact N-O 3.23Å; R453-H528 PolarHBondContact O-N 2.96Å; H526-H528 AromaticContact CD2-NE2 3.24Å; H526-H528 PolarHBondContact CD2-NE2 3.45Å; H526-H528 AromaticContact CG-NE2 3.74Å; H528-E531 IonicContact CE1-OE1 2.73Å; H528-E531 PolarHBondContact CE1-OE1 2.97Å; H528-E531 IonicContact CE1-OE2 2.6Å; H528-E531 IonicContact ND1-OE1 2.67Å; H528-E531 PolarHBondContact ND1-OE1 3.32Å; H528-E531 VanDerWaalsContact ND1-OE1 3.08Å; H528-E531 IonicContact ND1-OE2 2.88Å; H528-Q591 WeakPolarHBondContact CE1-CG 3.37Å; H528-Q591 PolarHBondContact ND1-NE2 2.69Å; H528-Q591 WeakPolarHBondContact NE2-CG 3.02Å
529R94.2Very high95.6Very high103 Ų10338.8 Ų38.839%0.38919%0.194SC..SBendtrans-115.2-24.3176.6-62.7-176.5-125.2-91-1.9113.6M440 M452M440-R529 PolarHBondContact N-O 3.03Å; M452-R529 HydrophobicContact CB-CG 4.04Å; M452-R529 HydrophobicContact CE-CG 4.27Å; M452-R529 VanDerWaalsContact CE-NH1 3.33Å; M452-R529 VanDerWaalsContact CE-NH2 3.25Å; M452-R529 HydrophobicContact CG-CG 3.84Å
530Y96.6Very high96Very high40 Ų4037 Ų3716%0.15718%0.178CC..EExtended strand (participates in β ladder)trans-102.8144.6-173.1-64.9-89.2000110.3Q407 E427 I438 E439 Q591Q407-Y530 PolarHBondContact NE2-O 2.88Å; E427-Y530 HydrophobicContact CB-CD1 4.11Å; E427-Y530 HydrophobicContact CB-CD2 4.14Å; E427-Y530 HydrophobicContact CB-CE1 3.64Å; E427-Y530 HydrophobicContact CB-CE2 3.67Å; E427-Y530 HydrophobicContact CB-CG 4.36Å; E427-Y530 HydrophobicContact CG-CD2 4.3Å; E427-Y530 HydrophobicContact CG-CE1 4.39Å; E427-Y530 HydrophobicContact CG-CE2 3.57Å; I438-Y530 CarbonylContact O-C 3.49Å; I438-Y530 VanDerWaalsContact O-CA 3.27Å; I438-Y530 WeakPolarHBondContact O-CA 3.46Å; E439-Y530 HydrophobicContact CB-CD1 3.97Å; E439-Y530 HydrophobicContact CB-CE1 3.73Å; E439-Y530 HydrophobicContact CG-CD1 4.39Å; E439-Y530 HydrophobicContact CG-CE1 4.08Å; Y530-Q591 PolarHBondContact O-NE2 3.34Å
531E97.7Very high96.2Very high0 Ų032.5 Ų32.50%015%0.149CC..EExtended strand (participates in β ladder)trans-131.9160.3-177.6-58.3-63.3174.800111I437 I438 M440 H528 N533 R557 Q591I437-E531 CarbonylContact C-O 3.54Å; I437-E531 WeakPolarHBondContact CA-O 3.27Å; I438-E531 PolarHBondContact N-O 3.33Å; I438-E531 PolarHBondContact O-N 3.5Å; M440-E531 HydrophobicContact CB-CB 4.1Å; M440-E531 HydrophobicContact CB-CG 3.72Å; M440-E531 HydrophobicContact CE-CB 4.29Å; M440-E531 HydrophobicContact CG-CG 4.47Å; M440-E531 HydrophobicContact SD-CB 4.48Å; M440-E531 HydrophobicContact SD-CG 4.27Å; H528-E531 IonicContact CE1-OE1 2.73Å; H528-E531 PolarHBondContact CE1-OE1 2.97Å; H528-E531 IonicContact CE1-OE2 2.6Å; H528-E531 IonicContact ND1-OE1 2.67Å; H528-E531 PolarHBondContact ND1-OE1 3.32Å; H528-E531 VanDerWaalsContact ND1-OE1 3.08Å; H528-E531 IonicContact ND1-OE2 2.88Å; E531-N533 PolarHBondContact O-N 3.42Å; E531-R557 HydrophobicContact CG-CG 4.02Å; E531-R557 WeakPolarHBondContact OE1-CD 3.47Å; E531-R557 IonicContact OE1-NE 2.65Å; E531-Q591 PolarHBondContact OE2-NE2 2.93Å
532I98Very high96.3Very high1 Ų134.4 Ų34.41%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-61.6128.5166.8-53.3176.4000108.4L406 V410 I437 P534 V537 L540 M558 I561L406-I532 HydrophobicContact CD2-CD1 3.83Å; L406-I532 HydrophobicContact CD2-CG1 3.89Å; V410-I532 HydrophobicContact CG1-CG2 4.46Å; V410-I532 HydrophobicContact CG2-CD1 3.76Å; V410-I532 HydrophobicContact CG2-CG1 4.05Å; I437-I532 HydrophobicContact CD1-CB 4.4Å; I437-I532 HydrophobicContact CD1-CG1 3.99Å; I532-P534 WeakPolarHBondContact O-CD 3.47Å; I532-V537 HydrophobicContact CG2-CG2 3.9Å; I532-L540 HydrophobicContact CG2-CD1 4.19Å; I532-M558 HydrophobicContact CB-CB 4.13Å; I532-M558 HydrophobicContact CB-CG 3.99Å; I532-M558 HydrophobicContact CD1-CB 3.48Å; I532-M558 VanDerWaalsContact CD1-CB 3.48Å; I532-M558 HydrophobicContact CD1-CG 4.08Å; I532-M558 HydrophobicContact CG1-CB 4.1Å; I532-M558 HydrophobicContact CG1-CG 4.5Å; I532-M558 HydrophobicContact CG2-CG 4.46Å; I532-I561 HydrophobicContact CD1-CG2 3.9Å
533N97.7Very high96.3Very high22 Ų2235.3 Ų35.312%0.11817%0.168CC..  trans-67.4114.8176.7-177.7-12000109.9P435 V436 I438 E531 K535 Y536P435-N533 VanDerWaalsContact O-CB 3.27Å; P435-N533 WeakPolarHBondContact O-CB 3.36Å; P435-N533 PolarHBondContact O-ND2 3.3Å; V436-N533 WeakPolarHBondContact O-CB 3.43Å; V436-N533 PolarHBondContact O-N 3.26Å; I438-N533 HydrophobicContact CD1-CB 3.95Å; I438-N533 HydrophobicContact CG1-CB 3.9Å; I438-N533 HydrophobicContact CG2-CB 3.97Å; E531-N533 PolarHBondContact O-N 3.42Å; N533-K535 PolarHBondContact O-N 2.94Å; N533-K535 VanDerWaalsContact OD1-CB 3.28Å; N533-K535 WeakPolarHBondContact OD1-CB 3.41Å; N533-K535 PolarHBondContact OD1-N 3.32Å; N533-Y536 HydrophobicContact CB-CD2 3.92Å; N533-Y536 HydrophobicContact CB-CE2 4.42Å; N533-Y536 WeakPolarHBondContact ND2-CE2 3.25Å; N533-Y536 PolarHBondContact O-N 3.21Å
534P96.4Very high96.3Very high49 Ų4933.8 Ų33.832%0.31816%0.16SC..G310 helixtrans-56.8-25.2-175-27.637.4000113.8M440 I532 Y536 V537 N556 M558M440-P534 HydrophobicContact CE-CG 4.08Å; I532-P534 WeakPolarHBondContact O-CD 3.47Å; P534-Y536 PolarHBondContact O-N 3.14Å; P534-V537 PolarHBondContact O-N 2.86Å; P534-N556 WeakPolarHBondContact CG-O 3.48Å; P534-M558 HydrophobicContact CB-CE 4.16Å; P534-M558 HydrophobicContact CG-CE 4.22Å
535K96.8Very high96.3Very high148 Ų14833.9 Ų33.964%0.64316%0.161SC*.G310 helixtrans-57.7-27.4177.5-175.6-176.1173.6-170.40113.9N533 Q539N533-K535 PolarHBondContact O-N 2.94Å; N533-K535 VanDerWaalsContact OD1-CB 3.28Å; N533-K535 WeakPolarHBondContact OD1-CB 3.41Å; N533-K535 PolarHBondContact OD1-N 3.32Å; K535-Q539 PolarHBondContact O-OE1 3.23Å
536Y96.8Very high96.2Very high15 Ų1533.8 Ų33.86%0.05916%0.16CC..G310 helixtrans-104.7-2.3-175.6-61.9-70.8000113.5W420 P435 V436 N533 P534 Q539 L540W420-Y536 HydrophobicContact CE3-CD1 4.43Å; W420-Y536 AromaticContact CH2-CD1 3.54Å; W420-Y536 HydrophobicContact CH2-CD1 3.54Å; W420-Y536 HydrophobicContact CH2-CE1 4.2Å; W420-Y536 HydrophobicContact CH2-CG 4.4Å; W420-Y536 AromaticContact CZ3-CD1 3.46Å; W420-Y536 HydrophobicContact CZ3-CD1 3.46Å; W420-Y536 VanDerWaalsContact CZ3-CD1 3.46Å; W420-Y536 HydrophobicContact CZ3-CE1 4.08Å; W420-Y536 HydrophobicContact CZ3-CG 4.04Å; P435-Y536 HydrophobicContact CG-CE2 4.39Å; P435-Y536 WeakPolarHBondContact O-CE2 3.43Å; V436-Y536 HydrophobicContact CG1-CD2 4.15Å; V436-Y536 HydrophobicContact CG1-CG 4.3Å; N533-Y536 HydrophobicContact CB-CD2 3.92Å; N533-Y536 HydrophobicContact CB-CE2 4.42Å; N533-Y536 WeakPolarHBondContact ND2-CE2 3.25Å; N533-Y536 PolarHBondContact O-N 3.21Å; P534-Y536 PolarHBondContact O-N 3.14Å; Y536-Q539 VanDerWaalsContact C-OE1 3.31Å; Y536-Q539 VanDerWaalsContact CA-OE1 3.29Å; Y536-Q539 PolarHBondContact O-N 3Å; Y536-Q539 PolarHBondContact O-OE1 3.29Å; Y536-L540 WeakPolarHBondContact O-CG 3.39Å; Y536-L540 PolarHBondContact O-N 3.09Å; Y536-L540 VanDerWaalsContact O-N 3.17Å
537V96.7Very high96.2Very high4 Ų433.9 Ų33.92%0.02416%0.161CC..Hα-helixtrans-65.3-43.5-172.31700000111.6I532 P534 Q539 L540 E541 V547 M558I532-V537 HydrophobicContact CG2-CG2 3.9Å; P534-V537 PolarHBondContact O-N 2.86Å; V537-Q539 VanDerWaalsContact C-N 3.31Å; V537-Q539 PolarHBondContact O-N 3.09Å; V537-L540 WeakPolarHBondContact O-CB 3.05Å; V537-L540 PolarHBondContact O-N 3.47Å; V537-L540 VanDerWaalsContact O-N 3.1Å; V537-E541 HydrophobicContact CG1-CG 4.14Å; V537-E541 WeakPolarHBondContact O-CG 3.33Å; V537-E541 PolarHBondContact O-N 3.47Å; V537-V547 HydrophobicContact CG1-CG2 3.84Å; V537-M558 HydrophobicContact CG2-CE 3.88Å; V537-M558 HydrophobicContact CG2-CG 3.9Å; V537-M558 HydrophobicContact CG2-SD 4.38Å
538D96.6Very high96.2Very high88 Ų8832.8 Ų32.847%0.47116%0.157SC..Hα-helixtrans-57.7-44.3178.9-67-9.2000111.2I466 L540 E541 E542I466-D538 HydrophobicContact CD1-CB 3.64Å; I466-D538 VanDerWaalsContact CD1-CG 3.48Å; I466-D538 WeakPolarHBondContact CD1-OD1 3.21Å; D538-L540 VanDerWaalsContact C-N 3.34Å; D538-L540 PolarHBondContact O-N 2.92Å; D538-E541 PolarHBondContact O-N 2.89Å; D538-E542 WeakPolarHBondContact O-CB 3.22Å; D538-E542 VanDerWaalsContact O-CG 3.27Å; D538-E542 WeakPolarHBondContact O-CG 3.33Å; D538-E542 PolarHBondContact O-N 3.36Å
539Q96.8Very high96.2Very high64 Ų6432.7 Ų32.730%0.29916%0.156SC..Hα-helixtrans-65.7-34.1177.6-61.895.5-42.700113.2W420 K535 Y536 V537 S543W420-Q539 HydrophobicContact CH2-CB 3.89Å; W420-Q539 HydrophobicContact CH2-CG 4.12Å; W420-Q539 HydrophobicContact CZ2-CB 4.39Å; W420-Q539 HydrophobicContact CZ2-CG 4.39Å; K535-Q539 PolarHBondContact O-OE1 3.23Å; Y536-Q539 VanDerWaalsContact C-OE1 3.31Å; Y536-Q539 VanDerWaalsContact CA-OE1 3.29Å; Y536-Q539 PolarHBondContact O-N 3Å; Y536-Q539 PolarHBondContact O-OE1 3.29Å; V537-Q539 VanDerWaalsContact C-N 3.31Å; V537-Q539 PolarHBondContact O-N 3.09Å; Q539-S543 WeakPolarHBondContact O-CB 3.3Å; Q539-S543 PolarHBondContact O-N 2.99Å; Q539-S543 PolarHBondContact O-OG 3.3Å
540L96.9Very high96.3Very high2 Ų228.4 Ų28.41%0.0114%0.14CC..Hα-helixtrans-67-48.4174.9-66.4168.8000110.5V410 F413 L418 I532 Y536 V537 D538 S543 G544 L545V410-L540 HydrophobicContact CG1-CD1 3.85Å; V410-L540 HydrophobicContact CG1-CD2 4.4Å; F413-L540 HydrophobicContact CD1-CD2 3.69Å; F413-L540 HydrophobicContact CE1-CD2 4.15Å; L418-L540 HydrophobicContact CD1-CD2 3.82Å; I532-L540 HydrophobicContact CG2-CD1 4.19Å; Y536-L540 WeakPolarHBondContact O-CG 3.39Å; Y536-L540 PolarHBondContact O-N 3.09Å; Y536-L540 VanDerWaalsContact O-N 3.17Å; V537-L540 WeakPolarHBondContact O-CB 3.05Å; V537-L540 PolarHBondContact O-N 3.47Å; V537-L540 VanDerWaalsContact O-N 3.1Å; D538-L540 VanDerWaalsContact C-N 3.34Å; D538-L540 PolarHBondContact O-N 2.92Å; L540-S543 CarbonylContact O-C 3.57Å; L540-S543 PolarHBondContact O-N 3Å; L540-S543 VanDerWaalsContact O-N 3.14Å; L540-G544 PolarHBondContact O-N 3.02Å; L540-L545 CarbonylContact C-O 3.52Å; L540-L545 HydrophobicContact CB-CB 4.49Å; L540-L545 HydrophobicContact CD2-CD2 4.25Å; L540-L545 PolarHBondContact O-N 3.13Å
541E96.2Very high96.3Very high1 Ų126.6 Ų26.61%0.00513%0.133CC..Hα-helixtrans-64.8-40.6-179.9-64.8-168.2145.100111.6S464 I466 S467 V537 D538 S543 G544 L545 V547 R550S464-E541 VanDerWaalsContact CB-OE2 3.25Å; S464-E541 WeakPolarHBondContact CB-OE2 3.4Å; S464-E541 PolarHBondContact OG-OE1 3.05Å; S464-E541 PolarHBondContact OG-OE2 3.45Å; I466-E541 HydrophobicContact CB-CB 4.29Å; I466-E541 HydrophobicContact CG2-CB 3.67Å; S467-E541 VanDerWaalsContact OG-CD 3.27Å; S467-E541 PolarHBondContact OG-OE1 2.96Å; V537-E541 HydrophobicContact CG1-CG 4.14Å; V537-E541 WeakPolarHBondContact O-CG 3.33Å; V537-E541 PolarHBondContact O-N 3.47Å; D538-E541 PolarHBondContact O-N 2.89Å; E541-S543 PolarHBondContact O-N 3.48Å; E541-G544 PolarHBondContact O-N 3.26Å; E541-G544 VanDerWaalsContact O-N 3.15Å; E541-L545 WeakPolarHBondContact CA-O 3.21Å; E541-L545 PolarHBondContact N-O 3.48Å; E541-V547 PolarHBondContact OE1-N 2.81Å; E541-R550 IonicContact OE1-CZ 2.78Å; E541-R550 IonicContact OE1-NH2 2.93Å; E541-R550 PolarHBondContact OE1-NH2 2.82Å; E541-R550 IonicContact OE2-NH2 3.27Å
542E95.4Very high96.1Very high109 Ų10928.5 Ų28.551%0.50915%0.149SC..Hα-helixtrans-60.7-26.3174.8-79-179.1176.400113.3I466 Y470 D538I466-E542 HydrophobicContact CG2-CB 4.3Å; I466-E542 HydrophobicContact CG2-CG 3.5Å; I466-E542 VanDerWaalsContact CG2-CG 3.5Å; Y470-E542 WeakPolarHBondContact CD2-O 3.27Å; D538-E542 WeakPolarHBondContact O-CB 3.22Å; D538-E542 VanDerWaalsContact O-CG 3.27Å; D538-E542 WeakPolarHBondContact O-CG 3.33Å; D538-E542 PolarHBondContact O-N 3.36Å
543S94.9Very high95.5Very high35 Ų3533.6 Ų33.625%0.24517%0.173CC..THydrogen-bonded Turntrans-97.70.3-179.1-58.50000113.4L418 Q539 L540 E541L418-S543 WeakPolarHBondContact CD2-OG 3.38Å; Q539-S543 WeakPolarHBondContact O-CB 3.3Å; Q539-S543 PolarHBondContact O-N 2.99Å; Q539-S543 PolarHBondContact O-OG 3.3Å; L540-S543 CarbonylContact O-C 3.57Å; L540-S543 PolarHBondContact O-N 3Å; L540-S543 VanDerWaalsContact O-N 3.14Å; E541-S543 PolarHBondContact O-N 3.48Å
544G94Very high95.1Very high0 Ų037.2 Ų37.20%020%0.195CC..THydrogen-bonded Turntrans97.18.6174.100000115.8Y470 L540 E541 L564 Q565Y470-G544 VanDerWaalsContact CE1-CA 3.49Å; L540-G544 PolarHBondContact O-N 3.02Å; E541-G544 PolarHBondContact O-N 3.26Å; E541-G544 VanDerWaalsContact O-N 3.15Å; G544-L564 PolarHBondContact O-N 3.49Å; G544-Q565 PolarHBondContact O-N 3.44Å
545L96.7Very high94.8Very high3 Ų336.2 Ų36.22%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-98.896.6165.3-174.168.8000108.6V410 F413 L540 E541 I561 L563V410-L545 HydrophobicContact CG2-CD2 4.38Å; F413-L545 HydrophobicContact CB-CD2 3.92Å; F413-L545 HydrophobicContact CD1-CB 3.98Å; F413-L545 HydrophobicContact CD1-CD2 3.97Å; F413-L545 HydrophobicContact CD2-CB 4.09Å; F413-L545 HydrophobicContact CD2-CD2 4.33Å; F413-L545 HydrophobicContact CE1-CB 3.77Å; F413-L545 HydrophobicContact CE2-CB 3.9Å; F413-L545 HydrophobicContact CG-CB 4.13Å; F413-L545 HydrophobicContact CG-CD2 3.81Å; F413-L545 HydrophobicContact CG-CG 4.5Å; F413-L545 HydrophobicContact CZ-CB 3.73Å; L540-L545 CarbonylContact C-O 3.52Å; L540-L545 HydrophobicContact CB-CB 4.49Å; L540-L545 HydrophobicContact CD2-CD2 4.25Å; L540-L545 PolarHBondContact O-N 3.13Å; E541-L545 WeakPolarHBondContact CA-O 3.21Å; E541-L545 PolarHBondContact N-O 3.48Å; L545-I561 HydrophobicContact CD1-CD1 4.24Å; L545-I561 HydrophobicContact CD2-CD1 4.29Å; L545-L563 HydrophobicContact CB-CD1 4.46Å; L545-L563 HydrophobicContact CD1-CB 4.25Å; L545-L563 HydrophobicContact CD1-CD1 4.08Å
546I95.5Very high94.5Very high0 Ų031.7 Ų31.70%018%0.177CC..EExtended strand (participates in β ladder)trans-91.4150.5-170.665.3153.4000112.6L463 S467 V548 I561 E562 L564L463-I546 HydrophobicContact CD2-CD1 3.56Å; S467-I546 WeakPolarHBondContact OG-CB 3.32Å; S467-I546 WeakPolarHBondContact OG-CG2 3.27Å; I546-V548 HydrophobicContact CD1-CG2 3.56Å; I546-V548 HydrophobicContact CG1-CG2 3.97Å; I546-I561 VanDerWaalsContact O-CA 3.25Å; I546-I561 WeakPolarHBondContact O-CA 3.45Å; I546-E562 HydrophobicContact CD1-CB 4.47Å; I546-E562 HydrophobicContact CG1-CB 4.06Å; I546-E562 VanDerWaalsContact CG1-O 3.25Å; I546-E562 WeakPolarHBondContact CG1-O 3.39Å; I546-E562 PolarHBondContact N-O 3.42Å; I546-E562 PolarHBondContact O-N 2.82Å; I546-L564 HydrophobicContact CB-CD1 4.32Å; I546-L564 HydrophobicContact CD1-CD1 3.64Å; I546-L564 HydrophobicContact CD1-CD2 4.39Å; I546-L564 HydrophobicContact CD1-CG 4.08Å; I546-L564 HydrophobicContact CG1-CD1 3.81Å; I546-L564 HydrophobicContact CG1-CG 3.88Å; I546-L564 HydrophobicContact CG2-CD1 3.58Å; I546-L564 HydrophobicContact CG2-CG 4.12Å
547V96.3Very high94.5Very high2 Ų231.9 Ų31.91%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-95.6111.6168.9-178.30000108.9V537 E541 G549 R550 M558 I561V537-V547 HydrophobicContact CG1-CG2 3.84Å; E541-V547 PolarHBondContact OE1-N 2.81Å; V547-G549 WeakPolarHBondContact CG1-O 3.43Å; V547-R550 HydrophobicContact CG1-CG 3.75Å; V547-R550 PolarHBondContact O-NH1 2.9Å; V547-M558 HydrophobicContact CG1-CB 3.8Å; V547-M558 HydrophobicContact CG1-CG 4.13Å; V547-M558 HydrophobicContact CG1-SD 3.9Å; V547-M558 HydrophobicContact CG2-CB 4.1Å; V547-M558 HydrophobicContact CG2-CG 4.04Å; V547-M558 HydrophobicContact CG2-SD 4.41Å; V547-I561 HydrophobicContact CG2-CG2 4.24Å
548V94.8Very high94.5Very high0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans-90.6-30.2-178.5-178.30000111.8L461 Y462 L463 M513 I546 I560 E562L461-V548 WeakPolarHBondContact CA-O 3.3Å; L461-V548 HydrophobicContact CD2-CG1 3.94Å; Y462-V548 PolarHBondContact N-O 2.95Å; Y462-V548 VanDerWaalsContact N-O 3.09Å; L463-V548 HydrophobicContact CD2-CG2 4.36Å; M513-V548 HydrophobicContact CB-CG1 3.97Å; I546-V548 HydrophobicContact CD1-CG2 3.56Å; I546-V548 HydrophobicContact CG1-CG2 3.97Å; V548-I560 HydrophobicContact CB-CB 4.48Å; V548-I560 HydrophobicContact CB-CG2 4.28Å; V548-I560 PolarHBondContact N-O 3.02Å; V548-E562 HydrophobicContact CG2-CB 3.65Å
549G95.3Very high94.6Very high0 Ų027.9 Ų27.90%016%0.156CC..EExtended strand (participates in β ladder)trans-129.5133.8-176.300000111.6L460 V547 E559 I560L460-G549 WeakPolarHBondContact O-CA 3.48Å; V547-G549 WeakPolarHBondContact CG1-O 3.43Å; G549-E559 PolarHBondContact O-N 3.31Å; G549-I560 PolarHBondContact N-O 3.13Å; G549-I560 PolarHBondContact O-N 2.88Å
550R96.8Very high94.6Very high14 Ų1424.8 Ų24.85%0.05314%0.141CC..EExtended strand (participates in β ladder)trans-128.7156.2175-68173.2178.881.8-1.3110.7T459 L460 Y462 E541 V547 R557 M558T459-R550 CarbonylContact C-O 3.6Å; T459-R550 VanDerWaalsContact CA-O 3.32Å; T459-R550 WeakPolarHBondContact CA-O 3.48Å; L460-R550 PolarHBondContact N-O 2.97Å; L460-R550 PolarHBondContact O-N 3.02Å; Y462-R550 HydrophobicContact CE1-CB 4.2Å; Y462-R550 HydrophobicContact CE1-CG 4.43Å; Y462-R550 WeakPolarHBondContact OH-CD 3.4Å; E541-R550 IonicContact OE1-CZ 2.78Å; E541-R550 IonicContact OE1-NH2 2.93Å; E541-R550 PolarHBondContact OE1-NH2 2.82Å; E541-R550 IonicContact OE2-NH2 3.27Å; V547-R550 HydrophobicContact CG1-CG 3.75Å; V547-R550 PolarHBondContact O-NH1 2.9Å; R550-R557 WeakPolarHBondContact CA-O 3.37Å; R550-M558 HydrophobicContact CG-SD 3.69Å
551D95.6Very high94.7Very high1 Ų124.9 Ų24.91%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-59.6143.4177.573.8-60.9000111.7E553 V554 G555 N556 R557 E559D551-E553 VanDerWaalsContact C-N 3.33Å; D551-V554 PolarHBondContact OD2-N 3.28Å; D551-G555 VanDerWaalsContact O-CA 3.26Å; D551-G555 WeakPolarHBondContact O-CA 3.27Å; D551-G555 PolarHBondContact O-N 3.42Å; D551-G555 VanDerWaalsContact OD1-C 3.28Å; D551-G555 WeakPolarHBondContact OD1-CA 3.48Å; D551-G555 PolarHBondContact OD1-N 2.86Å; D551-G555 PolarHBondContact OD2-N 3.36Å; D551-N556 PolarHBondContact OD1-N 2.78Å; D551-R557 HydrophobicContact CB-CB 4.08Å; D551-R557 PolarHBondContact N-O 2.78Å; D551-R557 PolarHBondContact OD1-N 2.99Å; D551-E559 HydrophobicContact CB-CG 4.36Å
552A93.5Very high94.7Very high40 Ų4024.9 Ų24.933%0.33114%0.142SC..SBendtrans-77.7-19.1179.600000113.9R458 L460R458-A552 HydrophobicContact CB-CB 3.83Å; R458-A552 HydrophobicContact CG-CB 3.84Å; R458-A552 VanDerWaalsContact O-CB 3.29Å; R458-A552 WeakPolarHBondContact O-CB 3.37Å; R458-A552 PolarHBondContact O-N 3.06Å; L460-A552 HydrophobicContact CD1-CB 4.05Å; L460-A552 HydrophobicContact CD2-CB 4.02Å; L460-A552 HydrophobicContact CG-CB 3.67Å
553E86.8Confident94.8Very high109 Ų10919.9 Ų19.951%0.50912%0.119SC..SBendtrans-77.9-50-170.2-64.9168.2165.300111.2R453 R457 D551R453-E553 IonicContact CZ-OE2 3.47Å; R453-E553 IonicContact NH1-OE2 2.82Å; R453-E553 PolarHBondContact NH1-OE2 2.96Å; R457-E553 WeakPolarHBondContact CD-OE1 3.29Å; R457-E553 IonicContact CZ-OE1 3.27Å; R457-E553 IonicContact NE-OE1 2.8Å; R457-E553 IonicContact NH1-OE1 2.75Å; R457-E553 PolarHBondContact NH1-OE1 3.45Å; R457-E553 IonicContact NH1-OE2 3.58Å; R457-E553 PolarHBondContact NH1-OE2 3.12Å; D551-E553 VanDerWaalsContact C-N 3.33Å
554V88.1Confident94.6Very high97 Ų9718.2 Ų18.259%0.58811%0.107SC*.SBendtrans-121.4-29.5-176.7-173.90000111.5D551 N556D551-V554 PolarHBondContact OD2-N 3.28Å; V554-N556 VanDerWaalsContact C-N 3.31Å; V554-N556 WeakPolarHBondContact CB-OD1 3.45Å; V554-N556 HydrophobicContact CG1-CB 4.01Å; V554-N556 VanDerWaalsContact CG1-CG 3.44Å; V554-N556 WeakPolarHBondContact CG1-OD1 3.48Å
555G90Very high94.2Very high29 Ų2920 Ų2030%0.29912%0.115SC..SBendtrans77.416.5-177.300000113.8D551D551-G555 VanDerWaalsContact O-CA 3.26Å; D551-G555 WeakPolarHBondContact O-CA 3.27Å; D551-G555 PolarHBondContact O-N 3.42Å; D551-G555 VanDerWaalsContact OD1-C 3.28Å; D551-G555 WeakPolarHBondContact OD1-CA 3.48Å; D551-G555 PolarHBondContact OD1-N 2.86Å; D551-G555 PolarHBondContact OD2-N 3.36Å
556N91.8Very high93.6Very high52 Ų5221.6 Ų21.628%0.27813%0.126SC..  trans-109.1-6.6-177.271.9-17.3000113.9P534 D551 V554 M558P534-N556 WeakPolarHBondContact CG-O 3.48Å; D551-N556 PolarHBondContact OD1-N 2.78Å; V554-N556 VanDerWaalsContact C-N 3.31Å; V554-N556 WeakPolarHBondContact CB-OD1 3.45Å; V554-N556 HydrophobicContact CG1-CB 4.01Å; V554-N556 VanDerWaalsContact CG1-CG 3.44Å; V554-N556 WeakPolarHBondContact CG1-OD1 3.48Å; N556-M558 WeakPolarHBondContact O-CE 3.48Å
557R96.1Very high93Very high19 Ų1923.3 Ų23.37%0.07214%0.135CC..SBendtrans-104.4135.9175.7-63.2-178.3170.995.2-2.1110M440 E531 R550 D551M440-R557 PolarHBondContact O-NH2 2.72Å; M440-R557 VanDerWaalsContact O-NH2 3.09Å; M440-R557 HydrophobicContact SD-CG 4Å; E531-R557 HydrophobicContact CG-CG 4.02Å; E531-R557 WeakPolarHBondContact OE1-CD 3.47Å; E531-R557 IonicContact OE1-NE 2.65Å; R550-R557 WeakPolarHBondContact CA-O 3.37Å; D551-R557 HydrophobicContact CB-CB 4.08Å; D551-R557 PolarHBondContact N-O 2.78Å; D551-R557 PolarHBondContact OD1-N 2.99Å
558M97.3Very high91.9Very high8 Ų831 Ų314%0.03917%0.17CC..EExtended strand (participates in β ladder)trans-99.8109.6-174.5-47.9-42156.300108.8I532 P534 V537 V547 R550 N556I532-M558 HydrophobicContact CB-CB 4.13Å; I532-M558 HydrophobicContact CB-CG 3.99Å; I532-M558 HydrophobicContact CD1-CB 3.48Å; I532-M558 VanDerWaalsContact CD1-CB 3.48Å; I532-M558 HydrophobicContact CD1-CG 4.08Å; I532-M558 HydrophobicContact CG1-CB 4.1Å; I532-M558 HydrophobicContact CG1-CG 4.5Å; I532-M558 HydrophobicContact CG2-CG 4.46Å; P534-M558 HydrophobicContact CB-CE 4.16Å; P534-M558 HydrophobicContact CG-CE 4.22Å; V537-M558 HydrophobicContact CG2-CE 3.88Å; V537-M558 HydrophobicContact CG2-CG 3.9Å; V537-M558 HydrophobicContact CG2-SD 4.38Å; V547-M558 HydrophobicContact CG1-CB 3.8Å; V547-M558 HydrophobicContact CG1-CG 4.13Å; V547-M558 HydrophobicContact CG1-SD 3.9Å; V547-M558 HydrophobicContact CG2-CB 4.1Å; V547-M558 HydrophobicContact CG2-CG 4.04Å; V547-M558 HydrophobicContact CG2-SD 4.41Å; R550-M558 HydrophobicContact CG-SD 3.69Å; N556-M558 WeakPolarHBondContact O-CE 3.48Å
559E97.6Very high90.3Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-102-27.1-165-64-74.6-17500112.3R453 T459 H526 G549 D551 T590 Q591 F592R453-E559 IonicContact CZ-OE1 3.45Å; R453-E559 IonicContact NE-OE1 3.13Å; R453-E559 PolarHBondContact NE-OE1 3.46Å; R453-E559 IonicContact NH2-OE1 3.75Å; R453-E559 PolarHBondContact NH2-OE1 3.33Å; T459-E559 HydrophobicContact CG2-CB 3.5Å; T459-E559 HydrophobicContact CG2-CG 4.07Å; H526-E559 IonicContact CD2-OE1 3.71Å; H526-E559 IonicContact CD2-OE2 3.85Å; H526-E559 PolarHBondContact CD2-OE2 2.9Å; H526-E559 IonicContact NE2-OE1 3.94Å; H526-E559 IonicContact NE2-OE2 3.74Å; H526-E559 PolarHBondContact NE2-OE2 3.44Å; H526-E559 VanDerWaalsContact NE2-OE2 3.09Å; G549-E559 PolarHBondContact O-N 3.31Å; D551-E559 HydrophobicContact CB-CG 4.36Å; E559-T590 CarbonylContact O-C 3.56Å; E559-T590 WeakPolarHBondContact O-CA 3.49Å; E559-Q591 PolarHBondContact O-N 3.2Å; E559-Q591 WeakPolarHBondContact OE2-CB 3.43Å; E559-F592 HydrophobicContact CB-CD1 4.5Å
560I98Very high88.2Confident0 Ų042.7 Ų42.70%022%0.222CC..EExtended strand (participates in β ladder)trans-138.8126.4178.5-51.3173.1000109.4T459 L461 M513 I517 V548 G549 V588 A589 T590 F592 F606T459-I560 HydrophobicContact CG2-CD1 4.09Å; T459-I560 HydrophobicContact CG2-CG1 4.24Å; L461-I560 HydrophobicContact CD2-CD1 4.03Å; M513-I560 HydrophobicContact CG-CG2 4.22Å; I517-I560 HydrophobicContact CD1-CD1 4.08Å; V548-I560 HydrophobicContact CB-CB 4.48Å; V548-I560 HydrophobicContact CB-CG2 4.28Å; V548-I560 PolarHBondContact N-O 3.02Å; G549-I560 PolarHBondContact N-O 3.13Å; G549-I560 PolarHBondContact O-N 2.88Å; I560-V588 HydrophobicContact CG2-CG1 4.36Å; I560-A589 WeakPolarHBondContact CA-O 3.44Å; I560-T590 HydrophobicContact CG1-CG2 4.39Å; I560-F592 HydrophobicContact CD1-CE1 3.96Å; I560-F592 HydrophobicContact CD1-CZ 3.97Å; I560-F592 HydrophobicContact CG1-CE1 3.63Å; I560-F592 HydrophobicContact CG1-CZ 3.94Å; I560-F606 HydrophobicContact CD1-CE1 4.3Å; I560-F606 HydrophobicContact CD1-CZ 3.99Å; I560-F606 HydrophobicContact CG2-CE1 4.39Å
561I97.7Very high85.7Confident3 Ų350.5 Ų50.52%0.01526%0.259CS..EExtended strand (participates in β ladder)trans-117.4150.3172.964.5174.1000111.8L406 A409 V410 I532 L545 I546 V547 V588 A589L406-I561 HydrophobicContact CD1-CD1 4.5Å; L406-I561 HydrophobicContact CD1-CG1 4.15Å; L406-I561 HydrophobicContact CD1-CG2 4.42Å; L406-I561 HydrophobicContact CG-CD1 3.89Å; L406-I561 HydrophobicContact CG-CG1 4.06Å; A409-I561 HydrophobicContact CB-CD1 4.27Å; V410-I561 HydrophobicContact CG2-CD1 3.92Å; I532-I561 HydrophobicContact CD1-CG2 3.9Å; L545-I561 HydrophobicContact CD1-CD1 4.24Å; L545-I561 HydrophobicContact CD2-CD1 4.29Å; I546-I561 VanDerWaalsContact O-CA 3.25Å; I546-I561 WeakPolarHBondContact O-CA 3.45Å; V547-I561 HydrophobicContact CG2-CG2 4.24Å; I561-V588 WeakPolarHBondContact O-CA 3.4Å; I561-A589 HydrophobicContact CD1-CB 4.02Å; I561-A589 HydrophobicContact CG1-CB 3.73Å; I561-A589 PolarHBondContact N-O 3.22Å; I561-A589 PolarHBondContact O-N 2.85Å
562E97.2Very high83.6Confident2 Ų257.6 Ų57.61%0.00930%0.297CS..EExtended strand (participates in β ladder)trans-139.9134.5178.6-175.2177.4168.400110.6S511 I512 M513 I546 V548 L564 R583 F587 V588S511-E562 WeakPolarHBondContact CB-OE2 3.4Å; S511-E562 PolarHBondContact OG-OE2 3.11Å; I512-E562 VanDerWaalsContact CB-OE1 3.31Å; I512-E562 WeakPolarHBondContact CB-OE1 3.49Å; I512-E562 PolarHBondContact N-OE1 2.99Å; I512-E562 PolarHBondContact N-OE2 2.96Å; M513-E562 PolarHBondContact N-OE2 3.5Å; I546-E562 HydrophobicContact CD1-CB 4.47Å; I546-E562 HydrophobicContact CG1-CB 4.06Å; I546-E562 VanDerWaalsContact CG1-O 3.25Å; I546-E562 WeakPolarHBondContact CG1-O 3.39Å; I546-E562 PolarHBondContact N-O 3.42Å; I546-E562 PolarHBondContact O-N 2.82Å; V548-E562 HydrophobicContact CG2-CB 3.65Å; E562-L564 HydrophobicContact CG-CD2 4.25Å; E562-R583 IonicContact OE1-CZ 3.63Å; E562-R583 IonicContact OE1-NH2 2.78Å; E562-R583 PolarHBondContact OE1-NH2 3.45Å; E562-F587 WeakPolarHBondContact CA-O 3.47Å; E562-V588 HydrophobicContact CG-CG2 4.43Å
563L96.3Very high81.4Confident4 Ų461.1 Ų61.12%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-87.9122.6176.5-17471.1000111.3R393 F413 L545 Q565 H584 F587R393-L563 HydrophobicContact CG-CD2 3.73Å; F413-L563 HydrophobicContact CD2-CD1 3.97Å; F413-L563 HydrophobicContact CE2-CD1 3.57Å; L545-L563 HydrophobicContact CB-CD1 4.46Å; L545-L563 HydrophobicContact CD1-CB 4.25Å; L545-L563 HydrophobicContact CD1-CD1 4.08Å; L563-Q565 HydrophobicContact CD1-CB 3.71Å; L563-Q565 HydrophobicContact CG-CB 4.1Å; L563-H584 HydrophobicContact CD2-CB 4.34Å; L563-F587 HydrophobicContact CB-CB 3.78Å; L563-F587 HydrophobicContact CB-CD1 3.59Å; L563-F587 HydrophobicContact CB-CE1 4.39Å; L563-F587 HydrophobicContact CB-CG 3.82Å; L563-F587 HydrophobicContact CD2-CB 4.29Å; L563-F587 HydrophobicContact CD2-CD1 4.32Å; L563-F587 HydrophobicContact CD2-CD2 4.25Å; L563-F587 HydrophobicContact CD2-CG 4.05Å; L563-F587 PolarHBondContact N-O 3.08Å; L563-F587 VanDerWaalsContact N-O 3.09Å
564L91.4Very high79.7Confident0 Ų061.8 Ų61.80%033%0.327CS..  trans-110.30.4174.1-52.6-175.4000112.8Y470 L471 Y475 G544 I546 E562Y470-L564 HydrophobicContact CD1-CB 4.17Å; Y470-L564 HydrophobicContact CD1-CD1 4.32Å; Y470-L564 HydrophobicContact CE1-CB 3.77Å; L471-L564 HydrophobicContact CD1-CD1 4.05Å; L471-L564 HydrophobicContact CD2-CD1 3.54Å; L471-L564 HydrophobicContact CD2-CD2 4.47Å; L471-L564 HydrophobicContact CG-CD1 3.55Å; Y475-L564 HydrophobicContact CE2-CB 4.41Å; Y475-L564 WeakPolarHBondContact CE2-O 3.44Å; Y475-L564 PolarHBondContact OH-O 2.97Å; G544-L564 PolarHBondContact O-N 3.49Å; I546-L564 HydrophobicContact CB-CD1 4.32Å; I546-L564 HydrophobicContact CD1-CD1 3.64Å; I546-L564 HydrophobicContact CD1-CD2 4.39Å; I546-L564 HydrophobicContact CD1-CG 4.08Å; I546-L564 HydrophobicContact CG1-CD1 3.81Å; I546-L564 HydrophobicContact CG1-CG 3.88Å; I546-L564 HydrophobicContact CG2-CD1 3.58Å; I546-L564 HydrophobicContact CG2-CG 4.12Å; E562-L564 HydrophobicContact CG-CD2 4.25Å
565Q86.3Confident78.1Confident38 Ų3863.8 Ų63.818%0.17834%0.335CS..PPolyproline II helixtrans-62.1131.8175.5-164.3-179.834.500110.1Y470 G544 L563Y470-Q565 WeakPolarHBondContact OH-CA 3.37Å; G544-Q565 PolarHBondContact O-N 3.44Å; L563-Q565 HydrophobicContact CD1-CB 3.71Å; L563-Q565 HydrophobicContact CG-CB 4.1Å
566P84Confident76.2Confident35 Ų3567.4 Ų67.423%0.22734%0.342CS..BIsolated β-bridgetrans-57.3142.3170.7-27.837.4000112.1T474 P581 T582T474-P566 HydrophobicContact CG2-CG 3.6Å; P566-P581 HydrophobicContact CB-CB 3.63Å; P566-P581 HydrophobicContact CG-CB 3.57Å; P566-P581 HydrophobicContact CG-CG 4.13Å; P566-T582 CarbonylContact C-O 3.59Å; P566-T582 WeakPolarHBondContact CA-O 3.27Å
567L81.8Confident74.3Confident36 Ų3674.1 Ų74.119%0.18837%0.372CS..PPolyproline II helixtrans-66.2137.1167-67173.8000109.1R393 Q569 T582 H584R393-L567 VanDerWaalsContact O-CD2 3.24Å; R393-L567 WeakPolarHBondContact O-CD2 3.41Å; L567-Q569 PolarHBondContact O-N 3.24Å; L567-Q569 VanDerWaalsContact O-N 3.08Å; L567-T582 HydrophobicContact CD1-CG2 4.38Å; L567-T582 PolarHBondContact N-O 2.77Å; L567-H584 HydrophobicContact CD2-CB 4.46Å
568H73.6Confident72.2Confident165 Ų16581 Ų8176%0.76441%0.41SS*.  trans-63.7112.4170.9-80.770.8000108.6
569Q60.2Low70.4Confident61 Ų6186.8 Ų86.829%0.28544%0.435SS..  trans-85.2129169-67.2-178.318.300107.8L567 E571 F576 T582L567-Q569 PolarHBondContact O-N 3.24Å; L567-Q569 VanDerWaalsContact O-N 3.08Å; Q569-E571 PolarHBondContact O-N 3.34Å; Q569-E571 VanDerWaalsContact O-N 3.15Å; Q569-F576 HydrophobicContact CB-CE2 3.89Å; Q569-F576 HydrophobicContact CB-CZ 4.23Å; Q569-T582 PolarHBondContact NE2-OG1 3.38Å
570F52.6Low68.8Low184 Ų18489.3 Ų89.381%0.80745%0.452SS*.  trans-60119.5171.1-79.7-87.1000109N572F570-N572 VanDerWaalsContact C-N 3.33Å; F570-N572 PolarHBondContact O-N 3.22Å
571E44.4Very low67.6Low177 Ų17791.4 Ų91.483%0.82747%0.466SS*.SBendtrans-61.784.1179.1-65.5177.7162.500111.1Q569Q569-E571 PolarHBondContact O-N 3.34Å; Q569-E571 VanDerWaalsContact O-N 3.15Å
572N50.2Low66.8Low151 Ų15194.3 Ų94.381%0.80748%0.484SS*.  trans-128.3-2.4169.8-79.9-27.9000113.3F570F570-N572 VanDerWaalsContact C-N 3.33Å; F570-N572 PolarHBondContact O-N 3.22Å
573D48.2Very low66.4Low114 Ų11495.9 Ų95.961%0.6149%0.489SS*.  trans-107.7111.6176.3-99.2-25.1000110.5N575 F576D573-N575 PolarHBondContact O-N 2.81Å; D573-F576 PolarHBondContact O-N 2.81Å
574S51.9Low66.2Low123 Ų12395.8 Ų95.886%0.8649%0.489SS*.THydrogen-bonded Turntrans-65.62.1176.649.40000114.8
575N53.7Low66.3Low138 Ų13898.3 Ų98.374%0.73851%0.505SS*.THydrogen-bonded Turntrans-101.320.3176.2-79.4-27.8000113.2D573 E577D573-N575 PolarHBondContact O-N 2.81Å; N575-E577 VanDerWaalsContact C-N 3.28Å; N575-E577 PolarHBondContact O-N 3.48Å
576F49.8Very low66.8Low105 Ų10596.5 Ų96.546%0.46150%0.497SS..G310 helixtrans-62.9-28.1-169.9-152.2-100.1000114.6Q569 D573 N578 K579Q569-F576 HydrophobicContact CB-CE2 3.89Å; Q569-F576 HydrophobicContact CB-CZ 4.23Å; D573-F576 PolarHBondContact O-N 2.81Å; F576-N578 PolarHBondContact O-N 2.86Å; F576-K579 PolarHBondContact O-N 2.78Å
577E51.7Low67.5Low194 Ų19495.1 Ų95.191%0.90749%0.487SS*.G310 helixtrans-65-11.1-173-67.8-172.6160.900114.9N575N575-E577 VanDerWaalsContact C-N 3.28Å; N575-E577 PolarHBondContact O-N 3.48Å
578N53.3Low68.2Low163 Ų16393.4 Ų93.487%0.87248%0.478SS*.G310 helixtrans-121.512-175-76.4-43000116F576F576-N578 PolarHBondContact O-N 2.86Å
579K58.7Low69.4Low130 Ų13085.6 Ų85.657%0.56544%0.442SS*.SBendtrans-107.4129.9-176.8-158.3172.9-178.5-179.10111.7F576F576-K579 PolarHBondContact O-N 2.78Å
580C63Low71.2Confident52 Ų5282.7 Ų82.735%0.35143%0.429SS..PPolyproline II helixtrans-56.6130.1173.1-1570000107.3C508 T582C508-C580 WeakPolarHBondContact CB-SG 3.27Å; C508-C580 WeakPolarHBondContact SG-CB 3.41Å; C508-C580 CovalentContact SG-SG 2.13Å; C508-C580 PolarHBondContact SG-SG 2.83Å; C580-T582 PolarHBondContact O-N 3.01Å
581P73.1Confident73.4Confident44 Ų4473.9 Ų73.929%0.28639%0.39SS..PPolyproline II helixtrans-54139.8177.512.5-23.6000111.2T474 Y475 P566 R583T474-P581 HydrophobicContact CG2-CG 4.34Å; T474-P581 VanDerWaalsContact O-CG 3.29Å; T474-P581 WeakPolarHBondContact O-CG 3.25Å; Y475-P581 HydrophobicContact CD1-CG 3.88Å; Y475-P581 HydrophobicContact CE1-CB 4.32Å; Y475-P581 HydrophobicContact CE1-CG 3.9Å; P566-P581 HydrophobicContact CB-CB 3.63Å; P566-P581 HydrophobicContact CG-CB 3.57Å; P566-P581 HydrophobicContact CG-CG 4.13Å; P581-R583 PolarHBondContact O-N 3.33Å
582T82.1Confident75.9Confident64 Ų6465.5 Ų65.539%0.39335%0.351SS..PPolyproline II helixtrans-78.2118.4178.7-60.10000110.1P566 L567 Q569 C580P566-T582 CarbonylContact C-O 3.59Å; P566-T582 WeakPolarHBondContact CA-O 3.27Å; L567-T582 HydrophobicContact CD1-CG2 4.38Å; L567-T582 PolarHBondContact N-O 2.77Å; Q569-T582 PolarHBondContact NE2-OG1 3.38Å; C580-T582 PolarHBondContact O-N 3.01Å
583R87.3Confident78.2Confident35 Ų3558.9 Ų58.913%0.13232%0.315CS..BIsolated β-bridgetrans-74.6153.2173.6-170.1171171.3179.5-2.5111.4Y475 D510 E562 P581Y475-R583 HydrophobicContact CE1-CB 4.42Å; Y475-R583 WeakPolarHBondContact OH-CB 3.31Å; Y475-R583 WeakPolarHBondContact OH-CG 3.28Å; D510-R583 PolarHBondContact O-NH1 3.43Å; D510-R583 PolarHBondContact O-NH2 2.92Å; E562-R583 IonicContact OE1-CZ 3.63Å; E562-R583 IonicContact OE1-NH2 2.78Å; E562-R583 PolarHBondContact OE1-NH2 3.45Å; P581-R583 PolarHBondContact O-N 3.33Å
584H93.3Very high80.5Confident3 Ų353.5 Ų53.51%0.01429%0.286CS..PPolyproline II helixtrans-57.7132.6167.5-166.1-69.3000110.4C392 V397 L563 L567 F586 F587C392-H584 PolarHBondContact O-NE2 3.48Å; C392-H584 VanDerWaalsContact O-NE2 3.09Å; V397-H584 PolarHBondContact O-CE1 3.2Å; V397-H584 PolarHBondContact O-NE2 2.73Å; L563-H584 HydrophobicContact CD2-CB 4.34Å; L567-H584 HydrophobicContact CD2-CB 4.46Å; H584-F586 VanDerWaalsContact C-N 3.35Å; H584-F586 PolarHBondContact CE1-O 3.5Å; H584-F586 PolarHBondContact ND1-N 2.91Å; H584-F586 PolarHBondContact ND1-O 3.2Å; H584-F586 VanDerWaalsContact ND1-O 3.13Å; H584-F586 PolarHBondContact O-N 3.24Å; H584-F587 HydrophobicContact CB-CB 4.41Å; H584-F587 WeakPolarHBondContact ND1-CB 3.22Å; H584-F587 PolarHBondContact ND1-N 2.7Å; H584-F587 AromaticContact NE2-CD2 3.85Å
585P93.2Very high82.7Confident53 Ų5348.1 Ų48.134%0.34425%0.248SC..SBendtrans-61.5-40.2-174.121-32.5000113.3G396 P398G396-P585 WeakPolarHBondContact O-CD 3.48Å; G396-P585 WeakPolarHBondContact O-CG 3.22Å; P398-P585 HydrophobicContact CG-CG 4.12Å
586F96.5Very high84.8Confident0 Ų042 Ų420%021%0.214CC..  trans-162111.1172.2-177-88.3000109.7P398 F399 L400 I512 M513 L516 H584 V588 L610 A613 L618P398-F586 CarbonylContact C-O 3.56Å; P398-F586 VanDerWaalsContact CA-O 3.27Å; P398-F586 WeakPolarHBondContact CA-O 3.49Å; P398-F586 HydrophobicContact CB-CB 4.26Å; F399-F586 PolarHBondContact N-O 2.92Å; F399-F586 WeakPolarHBondContact O-CD1 3.48Å; F399-F586 WeakPolarHBondContact O-CE1 3.44Å; L400-F586 HydrophobicContact CB-CE1 4.32Å; L400-F586 HydrophobicContact CD1-CE1 4.35Å; I512-F586 HydrophobicContact CG2-CD2 4.33Å; M513-F586 HydrophobicContact SD-CE2 4.41Å; L516-F586 HydrophobicContact CD1-CE2 4.01Å; H584-F586 VanDerWaalsContact C-N 3.35Å; H584-F586 PolarHBondContact CE1-O 3.5Å; H584-F586 PolarHBondContact ND1-N 2.91Å; H584-F586 PolarHBondContact ND1-O 3.2Å; H584-F586 VanDerWaalsContact ND1-O 3.13Å; H584-F586 PolarHBondContact O-N 3.24Å; F586-V588 HydrophobicContact CD1-CB 4.46Å; F586-V588 HydrophobicContact CD1-CG2 4.35Å; F586-V588 HydrophobicContact CD2-CG2 4.12Å; F586-V588 HydrophobicContact CE1-CB 3.79Å; F586-V588 HydrophobicContact CE1-CG2 3.97Å; F586-V588 HydrophobicContact CE2-CB 4.31Å; F586-V588 HydrophobicContact CE2-CG2 3.72Å; F586-V588 HydrophobicContact CG-CG2 4.42Å; F586-V588 HydrophobicContact CZ-CB 3.71Å; F586-V588 HydrophobicContact CZ-CG1 4.41Å; F586-V588 HydrophobicContact CZ-CG2 3.64Å; F586-L610 HydrophobicContact CD1-CB 4.41Å; F586-L610 HydrophobicContact CD1-CD1 3.76Å; F586-L610 HydrophobicContact CE1-CB 4.01Å; F586-L610 HydrophobicContact CE1-CD1 3.89Å; F586-L610 HydrophobicContact CZ-CB 4.44Å; F586-A613 HydrophobicContact CB-CB 3.33Å; F586-A613 HydrophobicContact CD2-CB 4.44Å; F586-A613 HydrophobicContact CG-CB 4Å; F586-L618 HydrophobicContact CB-CD2 4.35Å; F586-L618 HydrophobicContact CD2-CD2 3.92Å
587F98Very high86.9Confident6 Ų639 Ų393%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-134.898.2172-173.1-72.4000106.6I389 R393 F399 A409 E562 L563 H584I389-F587 HydrophobicContact CG2-CE2 3.98Å; I389-F587 HydrophobicContact CG2-CZ 3.65Å; R393-F587 HydrophobicContact CB-CD2 4.42Å; R393-F587 HydrophobicContact CB-CE2 3.85Å; F399-F587 HydrophobicContact CB-CD2 3.77Å; F399-F587 HydrophobicContact CB-CE2 4.19Å; F399-F587 HydrophobicContact CB-CG 4.3Å; F399-F587 AromaticContact CD1-CD1 3.87Å; F399-F587 HydrophobicContact CD1-CD1 3.87Å; F399-F587 AromaticContact CD1-CD2 3.61Å; F399-F587 HydrophobicContact CD1-CD2 3.61Å; F399-F587 AromaticContact CD1-CE1 3.79Å; F399-F587 HydrophobicContact CD1-CE1 3.79Å; F399-F587 AromaticContact CD1-CE2 3.52Å; F399-F587 HydrophobicContact CD1-CE2 3.52Å; F399-F587 AromaticContact CD1-CG 3.79Å; F399-F587 HydrophobicContact CD1-CG 3.79Å; F399-F587 AromaticContact CD1-CZ 3.62Å; F399-F587 HydrophobicContact CD1-CZ 3.62Å; F399-F587 HydrophobicContact CE1-CD1 4.38Å; F399-F587 AromaticContact CE1-CE1 3.91Å; F399-F587 HydrophobicContact CE1-CE1 3.91Å; F399-F587 HydrophobicContact CE1-CE2 4.11Å; F399-F587 AromaticContact CE1-CZ 3.77Å; F399-F587 HydrophobicContact CE1-CZ 3.77Å; F399-F587 AromaticContact CG-CD2 3.96Å; F399-F587 HydrophobicContact CG-CD2 3.96Å; F399-F587 AromaticContact CG-CE2 3.94Å; F399-F587 HydrophobicContact CG-CE2 3.94Å; F399-F587 HydrophobicContact CG-CG 4.47Å; F399-F587 HydrophobicContact CG-CZ 4.44Å; A409-F587 HydrophobicContact CB-CE1 4.11Å; A409-F587 HydrophobicContact CB-CZ 4.13Å; E562-F587 WeakPolarHBondContact CA-O 3.47Å; L563-F587 HydrophobicContact CB-CB 3.78Å; L563-F587 HydrophobicContact CB-CD1 3.59Å; L563-F587 HydrophobicContact CB-CE1 4.39Å; L563-F587 HydrophobicContact CB-CG 3.82Å; L563-F587 HydrophobicContact CD2-CB 4.29Å; L563-F587 HydrophobicContact CD2-CD1 4.32Å; L563-F587 HydrophobicContact CD2-CD2 4.25Å; L563-F587 HydrophobicContact CD2-CG 4.05Å; L563-F587 PolarHBondContact N-O 3.08Å; L563-F587 VanDerWaalsContact N-O 3.09Å; H584-F587 HydrophobicContact CB-CB 4.41Å; H584-F587 WeakPolarHBondContact ND1-CB 3.22Å; H584-F587 PolarHBondContact ND1-N 2.7Å; H584-F587 AromaticContact NE2-CD2 3.85Å
588V98.2Very high89Confident0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-128.4143.9-174.4174.20000107.6F399 L400 G401 M513 I560 I561 E562 F586 F606F399-V588 PolarHBondContact O-N 2.92Å; F399-V588 VanDerWaalsContact O-N 3.09Å; L400-V588 CarbonylContact C-O 3.48Å; L400-V588 VanDerWaalsContact CA-O 3.26Å; L400-V588 WeakPolarHBondContact CA-O 3.31Å; L400-V588 HydrophobicContact CD1-CB 4.41Å; L400-V588 HydrophobicContact CD1-CG1 4.29Å; G401-V588 PolarHBondContact N-O 2.93Å; M513-V588 HydrophobicContact CG-CG1 3.89Å; M513-V588 HydrophobicContact CG-CG2 3.75Å; M513-V588 HydrophobicContact SD-CB 4.24Å; M513-V588 HydrophobicContact SD-CG1 3.64Å; M513-V588 HydrophobicContact SD-CG2 3.66Å; I560-V588 HydrophobicContact CG2-CG1 4.36Å; I561-V588 WeakPolarHBondContact O-CA 3.4Å; E562-V588 HydrophobicContact CG-CG2 4.43Å; F586-V588 HydrophobicContact CD1-CB 4.46Å; F586-V588 HydrophobicContact CD1-CG2 4.35Å; F586-V588 HydrophobicContact CD2-CG2 4.12Å; F586-V588 HydrophobicContact CE1-CB 3.79Å; F586-V588 HydrophobicContact CE1-CG2 3.97Å; F586-V588 HydrophobicContact CE2-CB 4.31Å; F586-V588 HydrophobicContact CE2-CG2 3.72Å; F586-V588 HydrophobicContact CG-CG2 4.42Å; F586-V588 HydrophobicContact CZ-CB 3.71Å; F586-V588 HydrophobicContact CZ-CG1 4.41Å; F586-V588 HydrophobicContact CZ-CG2 3.64Å; V588-F606 HydrophobicContact CG1-CD1 4.18Å; V588-F606 HydrophobicContact CG1-CE1 4.42Å
589A98.6Very high90.9Very high0 Ų022.9 Ų22.90%012%0.123CC..EExtended strand (participates in β ladder)trans-137.2147.116500000110.9F399 G401 L406 I560 I561F399-A589 HydrophobicContact CE1-CB 4.37Å; G401-A589 CarbonylContact O-C 3.46Å; G401-A589 WeakPolarHBondContact O-CA 3.33Å; G401-A589 WeakPolarHBondContact O-CB 3.44Å; L406-A589 HydrophobicContact CB-CB 3.6Å; L406-A589 HydrophobicContact CD1-CB 4.28Å; L406-A589 HydrophobicContact CG-CB 3.95Å; I560-A589 WeakPolarHBondContact CA-O 3.44Å; I561-A589 HydrophobicContact CD1-CB 4.02Å; I561-A589 HydrophobicContact CG1-CB 3.73Å; I561-A589 PolarHBondContact N-O 3.22Å; I561-A589 PolarHBondContact O-N 2.85Å
590T98.4Very high92.4Very high0 Ų017.1 Ų17.10%010%0.099CC..EExtended strand (participates in β ladder)trans-120.9145.6177.961.50000110.3G401 L402 C403 L406 E559 I560 F592 P594 F606G401-T590 PolarHBondContact O-N 3.47Å; L402-T590 CarbonylContact C-O 3.57Å; L402-T590 WeakPolarHBondContact CA-O 3.38Å; C403-T590 PolarHBondContact N-O 2.66Å; L406-T590 VanDerWaalsContact CD1-C 3.49Å; E559-T590 CarbonylContact O-C 3.56Å; E559-T590 WeakPolarHBondContact O-CA 3.49Å; I560-T590 HydrophobicContact CG1-CG2 4.39Å; T590-F592 HydrophobicContact CG2-CE1 4.25Å; T590-F592 HydrophobicContact CG2-CE2 3.83Å; T590-F592 HydrophobicContact CG2-CZ 3.64Å; T590-F592 PolarHBondContact OG1-O 3.31Å; T590-P594 WeakPolarHBondContact OG1-CD 3.5Å; T590-F606 HydrophobicContact CG2-CD1 3.38Å; T590-F606 HydrophobicContact CG2-CE1 3.18Å; T590-F606 HydrophobicContact CG2-CG 4.16Å; T590-F606 HydrophobicContact CG2-CZ 3.86Å
591Q98Very high93.3Very high0 Ų017.7 Ų17.70%010%0.101CC..SBendtrans-83.1-39.7175-174.974.9-49.500111.1C403 L406 H528 Y530 E531 E559C403-Q591 WeakPolarHBondContact CA-O 3.45Å; C403-Q591 WeakPolarHBondContact CB-O 3.45Å; C403-Q591 PolarHBondContact O-OE1 3.04Å; L406-Q591 HydrophobicContact CD1-CB 4.08Å; H528-Q591 WeakPolarHBondContact CE1-CG 3.37Å; H528-Q591 PolarHBondContact ND1-NE2 2.69Å; H528-Q591 WeakPolarHBondContact NE2-CG 3.02Å; Y530-Q591 PolarHBondContact O-NE2 3.34Å; E531-Q591 PolarHBondContact OE2-NE2 2.93Å; E559-Q591 PolarHBondContact O-N 3.2Å; E559-Q591 WeakPolarHBondContact OE2-CB 3.43Å
592F97.6Very high94Very high0 Ų018.6 Ų18.60%010%0.101CC..SBendtrans-68.2169.716856-94.1000112.9F522 R525 E559 I560 T590 P594 F606F522-F592 HydrophobicContact CD1-CD2 4.49Å; F522-F592 HydrophobicContact CD1-CE1 4.2Å; F522-F592 AromaticContact CD1-CE2 3.73Å; F522-F592 HydrophobicContact CD1-CE2 3.73Å; F522-F592 AromaticContact CD1-CZ 3.55Å; F522-F592 HydrophobicContact CD1-CZ 3.55Å; F522-F592 HydrophobicContact CE1-CD2 4.05Å; F522-F592 AromaticContact CE1-CE2 3.38Å; F522-F592 HydrophobicContact CE1-CE2 3.38Å; F522-F592 AromaticContact CE1-CZ 3.74Å; F522-F592 HydrophobicContact CE1-CZ 3.74Å; F522-F592 HydrophobicContact CZ-CE2 4.36Å; R525-F592 WeakPolarHBondContact O-CA 3.32Å; R525-F592 WeakPolarHBondContact O-CB 3.5Å; E559-F592 HydrophobicContact CB-CD1 4.5Å; I560-F592 HydrophobicContact CD1-CE1 3.96Å; I560-F592 HydrophobicContact CD1-CZ 3.97Å; I560-F592 HydrophobicContact CG1-CE1 3.63Å; I560-F592 HydrophobicContact CG1-CZ 3.94Å; T590-F592 HydrophobicContact CG2-CE1 4.25Å; T590-F592 HydrophobicContact CG2-CE2 3.83Å; T590-F592 HydrophobicContact CG2-CZ 3.64Å; T590-F592 PolarHBondContact OG1-O 3.31Å; F592-P594 HydrophobicContact CD2-CB 4.3Å; F592-P594 HydrophobicContact CD2-CG 4.46Å; F592-P594 HydrophobicContact CE2-CB 4.09Å; F592-P594 HydrophobicContact CE2-CG 4.36Å; F592-P594 WeakPolarHBondContact O-CD 3.36Å; F592-F606 HydrophobicContact CE2-CD2 4.31Å; F592-F606 AromaticContact CE2-CE2 3.71Å; F592-F606 HydrophobicContact CE2-CE2 3.71Å; F592-F606 AromaticContact CE2-CZ 3.86Å; F592-F606 HydrophobicContact CE2-CZ 3.86Å; F592-F606 HydrophobicContact CZ-CE1 4.15Å; F592-F606 AromaticContact CZ-CE2 3.79Å; F592-F606 HydrophobicContact CZ-CE2 3.79Å; F592-F606 AromaticContact CZ-CZ 3.47Å; F592-F606 HydrophobicContact CZ-CZ 3.47Å; F592-F606 VanDerWaalsContact CZ-CZ 3.47Å
593H97.9Very high94.6Very high13 Ų1315.7 Ų15.76%0.068%0.084CC..  trans-103.485.8-180-69.8-88.2000111.1C403 R525 E595 Y596C403-H593 WeakPolarHBondContact CB-NE2 3.4Å; R525-H593 PolarHBondContact O-N 2.56Å; H593-E595 WeakPolarHBondContact CA-OE2 3.26Å; H593-E595 HydrophobicContact CB-CG 4.45Å; H593-E595 IonicContact CE1-OE1 3.3Å; H593-E595 IonicContact CG-OE1 3.81Å; H593-E595 IonicContact ND1-OE1 2.69Å; H593-E595 PolarHBondContact ND1-OE1 2.8Å; H593-E595 PolarHBondContact O-N 3.35Å; H593-E595 VanDerWaalsContact O-N 3.14Å; H593-Y596 HydrophobicContact CB-CD2 3.39Å; H593-Y596 HydrophobicContact CB-CE2 3.36Å; H593-Y596 HydrophobicContact CB-CG 4.2Å; H593-Y596 AromaticContact CG-CE2 3.68Å; H593-Y596 PolarHBondContact O-N 3.24Å
594P97.1Very high94.9Very high0 Ų014.4 Ų14.40%08%0.08CC..THydrogen-bonded Turntrans-62.8-14.2178.525.2-34000113.9L402 T590 F592 Y596 T597 S598 S604 F606 F607L402-P594 HydrophobicContact CD2-CG 3.71Å; T590-P594 WeakPolarHBondContact OG1-CD 3.5Å; F592-P594 HydrophobicContact CD2-CB 4.3Å; F592-P594 HydrophobicContact CD2-CG 4.46Å; F592-P594 HydrophobicContact CE2-CB 4.09Å; F592-P594 HydrophobicContact CE2-CG 4.36Å; F592-P594 WeakPolarHBondContact O-CD 3.36Å; P594-Y596 VanDerWaalsContact C-N 3.32Å; P594-T597 PolarHBondContact O-OG1 3Å; P594-S598 PolarHBondContact O-N 2.77Å; P594-S604 WeakPolarHBondContact CB-OG 3.32Å; P594-S604 VanDerWaalsContact O-CB 3.3Å; P594-S604 WeakPolarHBondContact O-CB 3.43Å; P594-S604 PolarHBondContact O-OG 3.36Å; P594-F606 HydrophobicContact CB-CB 4.33Å; P594-F606 HydrophobicContact CB-CD2 3.76Å; P594-F606 HydrophobicContact CB-CE2 4.49Å; P594-F606 HydrophobicContact CB-CG 4.24Å; P594-F606 HydrophobicContact CG-CB 4.26Å; P594-F606 HydrophobicContact CG-CD2 4.32Å; P594-F606 HydrophobicContact CG-CG 4.33Å; P594-F607 HydrophobicContact CB-CE2 3.95Å; P594-F607 HydrophobicContact CG-CE2 3.86Å; P594-F607 HydrophobicContact CG-CZ 4.07Å
595E97.6Very high95Very high11 Ų1114.4 Ų14.45%0.0518%0.08CC..THydrogen-bonded Turntrans-67.6-31177.761.4-87.8-149.300112.6L321 A324 H593 T597 S598 F607L321-E595 HydrophobicContact CB-CB 4.5Å; A324-E595 HydrophobicContact CB-CB 3.98Å; H593-E595 WeakPolarHBondContact CA-OE2 3.26Å; H593-E595 HydrophobicContact CB-CG 4.45Å; H593-E595 IonicContact CE1-OE1 3.3Å; H593-E595 IonicContact CG-OE1 3.81Å; H593-E595 IonicContact ND1-OE1 2.69Å; H593-E595 PolarHBondContact ND1-OE1 2.8Å; H593-E595 PolarHBondContact O-N 3.35Å; H593-E595 VanDerWaalsContact O-N 3.14Å; E595-T597 PolarHBondContact O-N 2.95Å; E595-S598 PolarHBondContact O-N 3.38Å; E595-F607 HydrophobicContact CB-CE2 4.07Å; E595-F607 HydrophobicContact CB-CZ 3.89Å
596Y96.8Very high95.2Very high10 Ų1011.9 Ų11.94%0.0396%0.064CC..THydrogen-bonded Turntrans-70-32.6-179-62.1-37.4000112.6V61 Y62 V63 R525 H593 P594 R599V61-Y596 PolarHBondContact O-OH 3.49Å; Y62-Y596 AromaticContact CD2-CD1 3.41Å; Y62-Y596 HydrophobicContact CD2-CD1 3.41Å; Y62-Y596 VanDerWaalsContact CD2-CD1 3.41Å; Y62-Y596 AromaticContact CD2-CE1 3.78Å; Y62-Y596 HydrophobicContact CD2-CE1 3.78Å; Y62-Y596 HydrophobicContact CD2-CG 4.26Å; Y62-Y596 AromaticContact CE2-CD1 3.41Å; Y62-Y596 HydrophobicContact CE2-CD1 3.41Å; Y62-Y596 VanDerWaalsContact CE2-CD1 3.41Å; Y62-Y596 HydrophobicContact CE2-CE1 4.26Å; Y62-Y596 AromaticContact CE2-CG 3.98Å; Y62-Y596 HydrophobicContact CE2-CG 3.98Å; Y62-Y596 HydrophobicContact CG-CD1 4.35Å; Y62-Y596 PolarHBondContact OH-O 3.15Å; V63-Y596 HydrophobicContact CB-CD2 4.18Å; V63-Y596 HydrophobicContact CB-CE2 3.9Å; V63-Y596 HydrophobicContact CG2-CE2 3.94Å; R525-Y596 HydrophobicContact CB-CD2 3.95Å; H593-Y596 HydrophobicContact CB-CD2 3.39Å; H593-Y596 HydrophobicContact CB-CE2 3.36Å; H593-Y596 HydrophobicContact CB-CG 4.2Å; H593-Y596 AromaticContact CG-CE2 3.68Å; H593-Y596 PolarHBondContact O-N 3.24Å; P594-Y596 VanDerWaalsContact C-N 3.32Å; Y596-R599 PolarHBondContact O-NH1 2.89Å
597T93.7Very high95.3Very high42 Ų4211.9 Ų11.926%0.2586%0.064SC..THydrogen-bonded Turntrans-93.3-4.6-179.256.90000113.2R525 P594 E595 R599R525-T597 HydrophobicContact CG-CG2 4.31Å; P594-T597 PolarHBondContact O-OG1 3Å; E595-T597 PolarHBondContact O-N 2.95Å; T597-R599 PolarHBondContact O-N 3.43Å
598S96Very high95.2Very high0 Ų011.6 Ų11.60%06%0.063CC..  trans-67.8129.9177.1-167.90000111.2R79 A324 H327 P594 E595 S604R79-S598 WeakPolarHBondContact CG-O 3.49Å; A324-S598 WeakPolarHBondContact CA-OG 3.24Å; H327-S598 PolarHBondContact CE1-O 3.35Å; H327-S598 PolarHBondContact ND1-OG 3.15Å; P594-S598 PolarHBondContact O-N 2.77Å; E595-S598 PolarHBondContact O-N 3.38Å; S598-S604 PolarHBondContact OG-N 3.4Å
599R93.4Very high95.1Very high17 Ų1711.6 Ų11.66%0.0646%0.063CC..  trans-120.4154.9176.4-56.7-65-179.7-104.74.3110.5E78 H327 Y596 T597 T601 H602 P603E78-R599 WeakPolarHBondContact O-CD 3.34Å; E78-R599 PolarHBondContact O-NE 3.27Å; E78-R599 VanDerWaalsContact O-NE 3.16Å; E78-R599 IonicContact OE2-CZ 3.83Å; E78-R599 IonicContact OE2-NH2 3.82Å; E78-R599 PolarHBondContact OE2-NH2 2.98Å; H327-R599 VanDerWaalsContact ND1-C 3.32Å; H327-R599 PolarHBondContact ND1-O 3.23Å; Y596-R599 PolarHBondContact O-NH1 2.89Å; T597-R599 PolarHBondContact O-N 3.43Å; R599-T601 VanDerWaalsContact C-N 3.25Å; R599-T601 PolarHBondContact O-N 2.58Å; R599-H602 HydrophobicContact CB-CB 4.23Å; R599-H602 PolarHBondContact N-O 3.27Å; R599-H602 CarbonylContact O-C 3.58Å; R599-H602 PolarHBondContact O-N 3.47Å; R599-P603 WeakPolarHBondContact O-CA 3.29Å; R599-P603 VanDerWaalsContact O-N 3.11Å
600P90Very high95.1Very high10 Ų1011.6 Ų11.67%0.0656%0.063CC..SBendtrans-58.2-36.4178.4-22.731.7000113.6R79 Y254 L292R79-P600 WeakPolarHBondContact O-CD 3.21Å; Y254-P600 HydrophobicContact CD1-CG 4.49Å; Y254-P600 HydrophobicContact CE1-CG 3.78Å; Y254-P600 HydrophobicContact CE2-CG 4.49Å; L292-P600 HydrophobicContact CD1-CB 3.44Å; L292-P600 VanDerWaalsContact CD1-CB 3.44Å
601T83.1Confident95.1Very high64 Ų6411.6 Ų11.639%0.3936%0.063SC..SBendtrans-90.4-18.9178.647.60000113.8R599R599-T601 VanDerWaalsContact C-N 3.25Å; R599-T601 PolarHBondContact O-N 2.58Å
602H87.2Confident95Very high62 Ų6212.1 Ų12.129%0.2877%0.065SC..SBendtrans-135.972.9-178.2-53.981.4000107.9R599 P630R599-H602 HydrophobicContact CB-CB 4.23Å; R599-H602 PolarHBondContact N-O 3.27Å; R599-H602 CarbonylContact O-C 3.58Å; R599-H602 PolarHBondContact O-N 3.47Å; H602-P630 PolarHBondContact CD2-O 3.47Å
603P93.8Very high94.9Very high4 Ų412.4 Ų12.43%0.0267%0.067CC..  trans-63145.9-179.427.9-38.2000110.2H327 Y331 R599 I605 V608 P630H327-P603 HydrophobicContact CB-CB 3.74Å; Y331-P603 HydrophobicContact CD1-CG 4.46Å; Y331-P603 HydrophobicContact CD2-CG 3.86Å; Y331-P603 HydrophobicContact CG-CG 3.76Å; R599-P603 WeakPolarHBondContact O-CA 3.29Å; R599-P603 VanDerWaalsContact O-N 3.11Å; P603-I605 PolarHBondContact O-N 3.22Å; P603-V608 HydrophobicContact CB-CG2 3.76Å; P603-V608 HydrophobicContact CG-CG2 3.65Å; P603-P630 HydrophobicContact CG-CB 4.12Å; P603-P630 HydrophobicContact CG-CG 4.25Å; P603-P630 WeakPolarHBondContact O-CB 3.39Å
604S95.4Very high94.9Very high8 Ų812.3 Ų12.36%0.0567%0.069CC..  trans-63.6131.9174.1161.40000111.3P594 S598 F606 F607 V608P594-S604 WeakPolarHBondContact CB-OG 3.32Å; P594-S604 VanDerWaalsContact O-CB 3.3Å; P594-S604 WeakPolarHBondContact O-CB 3.43Å; P594-S604 PolarHBondContact O-OG 3.36Å; S598-S604 PolarHBondContact OG-N 3.4Å; S604-F606 PolarHBondContact O-N 3.49Å; S604-F607 PolarHBondContact O-N 2.81Å; S604-V608 PolarHBondContact O-N 2.77Å; S604-V608 VanDerWaalsContact O-N 3.17Å
605I94.8Very high94.9Very high3 Ų313.2 Ų13.22%0.0158%0.076CC..Hα-helixtrans-63.5-25.9-172.5-165.464000113.2L516 I517 P603 V608 G609 P630L516-I605 HydrophobicContact CB-CD1 4.49Å; L516-I605 HydrophobicContact CB-CG1 3.8Å; L516-I605 HydrophobicContact CD2-CD1 4.12Å; L516-I605 HydrophobicContact CD2-CG1 4.26Å; L516-I605 HydrophobicContact CG-CG1 4.49Å; L516-I605 WeakPolarHBondContact O-CG1 3.32Å; I517-I605 HydrophobicContact CG1-CG2 4.03Å; P603-I605 PolarHBondContact O-N 3.22Å; I605-V608 HydrophobicContact CD1-CB 4.32Å; I605-V608 HydrophobicContact CD1-CG1 4.37Å; I605-V608 PolarHBondContact O-N 3.06Å; I605-G609 PolarHBondContact O-N 3.41Å; I605-P630 HydrophobicContact CD1-CG 4.15Å
606F97.4Very high94.7Very high0 Ų021.5 Ų21.50%011%0.111CC..Hα-helixtrans-65.1-42.6177.8-64.6-89.4000111.4L400 M513 I517 F522 I560 V588 T590 F592 P594 S604 L610L400-F606 HydrophobicContact CD1-CB 4.29Å; L400-F606 HydrophobicContact CD2-CB 4.28Å; M513-F606 HydrophobicContact CE-CD1 3.56Å; M513-F606 HydrophobicContact CE-CE1 3.11Å; M513-F606 HydrophobicContact CE-CG 4.44Å; M513-F606 HydrophobicContact CE-CZ 3.65Å; M513-F606 HydrophobicContact SD-CD1 4.21Å; M513-F606 HydrophobicContact SD-CE1 4.14Å; I517-F606 HydrophobicContact CD1-CZ 3.93Å; I517-F606 HydrophobicContact CG1-CZ 4.45Å; F522-F606 HydrophobicContact CD1-CE2 4.13Å; F522-F606 HydrophobicContact CD1-CZ 4.47Å; F522-F606 HydrophobicContact CD2-CE2 4.18Å; F522-F606 AromaticContact CE1-CE2 3.78Å; F522-F606 HydrophobicContact CE1-CE2 3.78Å; F522-F606 AromaticContact CE2-CE2 3.83Å; F522-F606 HydrophobicContact CE2-CE2 3.83Å; F522-F606 HydrophobicContact CG-CE2 4.32Å; F522-F606 HydrophobicContact CZ-CD2 4.29Å; F522-F606 AromaticContact CZ-CE2 3.63Å; F522-F606 HydrophobicContact CZ-CE2 3.63Å; I560-F606 HydrophobicContact CD1-CE1 4.3Å; I560-F606 HydrophobicContact CD1-CZ 3.99Å; I560-F606 HydrophobicContact CG2-CE1 4.39Å; V588-F606 HydrophobicContact CG1-CD1 4.18Å; V588-F606 HydrophobicContact CG1-CE1 4.42Å; T590-F606 HydrophobicContact CG2-CD1 3.38Å; T590-F606 HydrophobicContact CG2-CE1 3.18Å; T590-F606 HydrophobicContact CG2-CG 4.16Å; T590-F606 HydrophobicContact CG2-CZ 3.86Å; F592-F606 HydrophobicContact CE2-CD2 4.31Å; F592-F606 AromaticContact CE2-CE2 3.71Å; F592-F606 HydrophobicContact CE2-CE2 3.71Å; F592-F606 AromaticContact CE2-CZ 3.86Å; F592-F606 HydrophobicContact CE2-CZ 3.86Å; F592-F606 HydrophobicContact CZ-CE1 4.15Å; F592-F606 AromaticContact CZ-CE2 3.79Å; F592-F606 HydrophobicContact CZ-CE2 3.79Å; F592-F606 AromaticContact CZ-CZ 3.47Å; F592-F606 HydrophobicContact CZ-CZ 3.47Å; F592-F606 VanDerWaalsContact CZ-CZ 3.47Å; P594-F606 HydrophobicContact CB-CB 4.33Å; P594-F606 HydrophobicContact CB-CD2 3.76Å; P594-F606 HydrophobicContact CB-CE2 4.49Å; P594-F606 HydrophobicContact CB-CG 4.24Å; P594-F606 HydrophobicContact CG-CB 4.26Å; P594-F606 HydrophobicContact CG-CD2 4.32Å; P594-F606 HydrophobicContact CG-CG 4.33Å; S604-F606 PolarHBondContact O-N 3.49Å; F606-L610 PolarHBondContact O-N 3.17Å; F606-L610 VanDerWaalsContact O-N 3.07Å
607F98.1Very high94.5Very high0 Ų025.2 Ų25.20%013%0.125CC..Hα-helixtrans-74.9-36.9176.3-59.1-75.4000111.7L321 A324 L325 A328 L400 L402 P594 E595 S604 G609 L610 V611L321-F607 HydrophobicContact CD1-CD1 4.29Å; L321-F607 HydrophobicContact CD1-CE1 3.32Å; L321-F607 HydrophobicContact CD1-CZ 3.81Å; A324-F607 HydrophobicContact CB-CD1 4.49Å; A324-F607 HydrophobicContact CB-CD2 3.63Å; A324-F607 HydrophobicContact CB-CE1 4.44Å; A324-F607 HydrophobicContact CB-CE2 3.55Å; A324-F607 HydrophobicContact CB-CG 4.1Å; A324-F607 HydrophobicContact CB-CZ 3.98Å; L325-F607 HydrophobicContact CD2-CD1 3.64Å; L325-F607 HydrophobicContact CD2-CE1 4.4Å; L325-F607 HydrophobicContact CD2-CG 4.47Å; L325-F607 HydrophobicContact CG-CD1 3.98Å; L325-F607 HydrophobicContact CG-CE1 4.43Å; A328-F607 VanDerWaalsContact CB-C 3.48Å; A328-F607 HydrophobicContact CB-CB 3.69Å; L400-F607 HydrophobicContact CD2-CD1 3.7Å; L400-F607 HydrophobicContact CD2-CE1 3.62Å; L400-F607 HydrophobicContact CD2-CG 4.41Å; L400-F607 HydrophobicContact CD2-CZ 4.29Å; L402-F607 HydrophobicContact CD1-CE1 4.29Å; L402-F607 HydrophobicContact CD1-CZ 4.09Å; P594-F607 HydrophobicContact CB-CE2 3.95Å; P594-F607 HydrophobicContact CG-CE2 3.86Å; P594-F607 HydrophobicContact CG-CZ 4.07Å; E595-F607 HydrophobicContact CB-CE2 4.07Å; E595-F607 HydrophobicContact CB-CZ 3.89Å; S604-F607 PolarHBondContact O-N 2.81Å; F607-G609 VanDerWaalsContact C-N 3.33Å; F607-G609 PolarHBondContact O-N 2.77Å; F607-L610 PolarHBondContact O-N 3.14Å; F607-V611 WeakPolarHBondContact O-CB 3.35Å; F607-V611 VanDerWaalsContact O-CG2 3.3Å; F607-V611 WeakPolarHBondContact O-CG2 3.19Å; F607-V611 PolarHBondContact O-N 3.26Å
608V96.5Very high94.5Very high0 Ų023.7 Ų23.70%012%0.116CC..Hα-helixtrans-59.7-46.3172.4174.40000110.3A328 Y331 T332 P603 S604 I605 L610 V611 L612A328-V608 HydrophobicContact CB-CG2 4.01Å; Y331-V608 HydrophobicContact CD1-CG1 3.86Å; Y331-V608 HydrophobicContact CD1-CG2 4.07Å; Y331-V608 HydrophobicContact CE1-CG1 3.85Å; T332-V608 HydrophobicContact CG2-CG1 4.39Å; P603-V608 HydrophobicContact CB-CG2 3.76Å; P603-V608 HydrophobicContact CG-CG2 3.65Å; S604-V608 PolarHBondContact O-N 2.77Å; S604-V608 VanDerWaalsContact O-N 3.17Å; I605-V608 HydrophobicContact CD1-CB 4.32Å; I605-V608 HydrophobicContact CD1-CG1 4.37Å; I605-V608 PolarHBondContact O-N 3.06Å; V608-L610 PolarHBondContact O-N 3.12Å; V608-V611 PolarHBondContact O-N 3.09Å; V608-L612 HydrophobicContact CG1-CD1 3.66Å; V608-L612 HydrophobicContact CG1-CG 4.21Å; V608-L612 VanDerWaalsContact O-CB 3.3Å; V608-L612 WeakPolarHBondContact O-CB 3.43Å; V608-L612 WeakPolarHBondContact O-CG 3.38Å; V608-L612 PolarHBondContact O-N 3.41Å
609G96.2Very high94.1Very high0 Ų026.6 Ų26.60%014%0.136CC..Hα-helixtrans-57.9-46.1175.900000112.6I605 F607 A613I605-G609 PolarHBondContact O-N 3.41Å; F607-G609 VanDerWaalsContact C-N 3.33Å; F607-G609 PolarHBondContact O-N 2.77Å; G609-A613 WeakPolarHBondContact O-CB 3.45Å; G609-A613 PolarHBondContact O-N 3.3Å
610L98.3Very high93.8Very high0 Ų028.8 Ų28.80%016%0.158CC..Hα-helixtrans-60.3-49.9176.4-175.871.2000112.2I305 L325 A370 V372 P398 L400 F586 F606 F607 V608 A613 A614I305-L610 HydrophobicContact CD1-CD2 4.49Å; L325-L610 HydrophobicContact CD2-CD2 4.12Å; A370-L610 HydrophobicContact CB-CD1 3.86Å; A370-L610 HydrophobicContact CB-CD2 4.47Å; A370-L610 HydrophobicContact CB-CG 4.01Å; V372-L610 HydrophobicContact CG2-CD2 3.43Å; V372-L610 VanDerWaalsContact CG2-CD2 3.43Å; P398-L610 HydrophobicContact CB-CD1 4.04Å; L400-L610 HydrophobicContact CB-CD1 4.02Å; L400-L610 HydrophobicContact CB-CD2 3.95Å; L400-L610 HydrophobicContact CB-CG 4.44Å; L400-L610 HydrophobicContact CD2-CD2 4.34Å; F586-L610 HydrophobicContact CD1-CB 4.41Å; F586-L610 HydrophobicContact CD1-CD1 3.76Å; F586-L610 HydrophobicContact CE1-CB 4.01Å; F586-L610 HydrophobicContact CE1-CD1 3.89Å; F586-L610 HydrophobicContact CZ-CB 4.44Å; F606-L610 PolarHBondContact O-N 3.17Å; F606-L610 VanDerWaalsContact O-N 3.07Å; F607-L610 PolarHBondContact O-N 3.14Å; V608-L610 PolarHBondContact O-N 3.12Å; L610-A613 WeakPolarHBondContact O-CB 3.42Å; L610-A613 PolarHBondContact O-N 3.38Å; L610-A614 WeakPolarHBondContact O-CB 3.32Å; L610-A614 PolarHBondContact O-N 3.02Å
611V97.6Very high93.7Very high0 Ų030.1 Ų30.10%016%0.162CC..Hα-helixtrans-65.9-39.9-178.41720000111.5V303 I305 A328 T332 L334 F607 V608 A613 A614 S615V303-V611 HydrophobicContact CG1-CG1 4.28Å; I305-V611 HydrophobicContact CD1-CG2 3.88Å; A328-V611 HydrophobicContact CB-CB 4.42Å; A328-V611 HydrophobicContact CB-CG2 3.84Å; T332-V611 HydrophobicContact CG2-CB 4.49Å; T332-V611 HydrophobicContact CG2-CG1 3.99Å; T332-V611 WeakPolarHBondContact OG1-CG1 3.44Å; L334-V611 HydrophobicContact CD1-CG1 3.66Å; F607-V611 WeakPolarHBondContact O-CB 3.35Å; F607-V611 VanDerWaalsContact O-CG2 3.3Å; F607-V611 WeakPolarHBondContact O-CG2 3.19Å; F607-V611 PolarHBondContact O-N 3.26Å; V608-V611 PolarHBondContact O-N 3.09Å; V611-A613 VanDerWaalsContact C-N 3.31Å; V611-A613 PolarHBondContact O-N 3.11Å; V611-A614 PolarHBondContact O-N 3.39Å; V611-S615 PolarHBondContact O-N 3.45Å; V611-S615 PolarHBondContact O-OG 2.6Å
612L96.3Very high93.8Very high10 Ų1027.5 Ų27.55%0.05215%0.146CC..Hα-helixtrans-65-35.3173.3-72.8172.3000112T332 V608 S615 K616 R617 L618 Y621T332-L612 HydrophobicContact CG2-CD2 3.67Å; T332-L612 HydrophobicContact CG2-CG 3.79Å; V608-L612 HydrophobicContact CG1-CD1 3.66Å; V608-L612 HydrophobicContact CG1-CG 4.21Å; V608-L612 VanDerWaalsContact O-CB 3.3Å; V608-L612 WeakPolarHBondContact O-CB 3.43Å; V608-L612 WeakPolarHBondContact O-CG 3.38Å; V608-L612 PolarHBondContact O-N 3.41Å; L612-S615 WeakPolarHBondContact CA-OG 3.13Å; L612-S615 PolarHBondContact O-OG 2.92Å; L612-K616 PolarHBondContact O-N 3.41Å; L612-K616 VanDerWaalsContact O-N 3.14Å; L612-R617 HydrophobicContact CD2-CB 3.83Å; L612-R617 PolarHBondContact O-N 3.02Å; L612-L618 HydrophobicContact CB-CB 3.96Å; L612-L618 HydrophobicContact CB-CD1 4.16Å; L612-L618 HydrophobicContact CD1-CD1 4.37Å; L612-L618 PolarHBondContact O-N 3.48Å; L612-Y621 HydrophobicContact CD1-CD1 3.59Å; L612-Y621 HydrophobicContact CD1-CD2 3.8Å; L612-Y621 HydrophobicContact CD1-CE1 4.1Å; L612-Y621 HydrophobicContact CD1-CE2 4.29Å; L612-Y621 HydrophobicContact CD1-CG 3.42Å; L612-Y621 VanDerWaalsContact CD1-CG 3.42Å
613A96.8Very high93.4Very high6 Ų629.8 Ų29.85%0.0516%0.157CC..Hα-helixtrans-69.5-44.2176.300000111.7P398 F586 G609 L610 V611 S615 K616 L618P398-A613 HydrophobicContact CB-CB 3.91Å; P398-A613 HydrophobicContact CG-CB 3.89Å; F586-A613 HydrophobicContact CB-CB 3.33Å; F586-A613 HydrophobicContact CD2-CB 4.44Å; F586-A613 HydrophobicContact CG-CB 4Å; G609-A613 WeakPolarHBondContact O-CB 3.45Å; G609-A613 PolarHBondContact O-N 3.3Å; L610-A613 WeakPolarHBondContact O-CB 3.42Å; L610-A613 PolarHBondContact O-N 3.38Å; V611-A613 VanDerWaalsContact C-N 3.31Å; V611-A613 PolarHBondContact O-N 3.11Å; A613-S615 VanDerWaalsContact C-N 3.29Å; A613-S615 PolarHBondContact O-N 3.5Å; A613-K616 PolarHBondContact O-N 3.49Å; A613-L618 HydrophobicContact CB-CB 4.4Å; A613-L618 HydrophobicContact CB-CD2 3.99Å
614A97.4Very high92.7Very high11 Ų1133.3 Ų33.39%0.09118%0.175CC..Hα-helixtrans-56.6-43175.700000111.8V303 D369 A370 L610 V611 K616V303-A614 HydrophobicContact CG2-CB 3.48Å; V303-A614 VanDerWaalsContact CG2-CB 3.48Å; D369-A614 HydrophobicContact CB-CB 3.89Å; A370-A614 HydrophobicContact CB-CB 3.88Å; L610-A614 WeakPolarHBondContact O-CB 3.32Å; L610-A614 PolarHBondContact O-N 3.02Å; V611-A614 PolarHBondContact O-N 3.39Å; A614-K616 VanDerWaalsContact C-N 3.31Å; A614-K616 PolarHBondContact O-N 2.67Å
615S95.9Very high91.2Very high20 Ų2038 Ų3814%0.1421%0.206CC..THydrogen-bonded Turntrans-843.7176.756.80000114.6V611 L612 A613 R617V611-S615 PolarHBondContact O-N 3.45Å; V611-S615 PolarHBondContact O-OG 2.6Å; L612-S615 WeakPolarHBondContact CA-OG 3.13Å; L612-S615 PolarHBondContact O-OG 2.92Å; A613-S615 VanDerWaalsContact C-N 3.29Å; A613-S615 PolarHBondContact O-N 3.5Å; S615-R617 PolarHBondContact O-N 3.06Å
616K94.3Very high89.5Confident185 Ų18546.5 Ų46.580%0.80424%0.242SC*.THydrogen-bonded Turntrans5925.6-177.8-53.4174.8-176.5172.50114.5L612 A613 A614L612-K616 PolarHBondContact O-N 3.41Å; L612-K616 VanDerWaalsContact O-N 3.14Å; A613-K616 PolarHBondContact O-N 3.49Å; A614-K616 VanDerWaalsContact C-N 3.31Å; A614-K616 PolarHBondContact O-N 2.67Å
617R93.4Very high88.1Confident87 Ų8748.3 Ų48.333%0.32825%0.249SC..  trans-100.6-8179.8-63.8174.2-175.1-170.5-3.1113.8E301 T332 L612 S615 S619 A620 Y621E301-R617 VanDerWaalsContact CD-NH2 3.25Å; E301-R617 IonicContact OE1-CZ 2.86Å; E301-R617 IonicContact OE1-NH2 3.75Å; E301-R617 PolarHBondContact OE1-NH2 2.87Å; E301-R617 IonicContact OE2-CZ 3.77Å; E301-R617 IonicContact OE2-NH2 2.73Å; E301-R617 PolarHBondContact OE2-NH2 3.22Å; T332-R617 PolarHBondContact O-NH1 3.47Å; L612-R617 HydrophobicContact CD2-CB 3.83Å; L612-R617 PolarHBondContact O-N 3.02Å; S615-R617 PolarHBondContact O-N 3.06Å; R617-S619 PolarHBondContact O-N 3.35Å; R617-A620 PolarHBondContact O-N 2.96Å; R617-Y621 PolarHBondContact O-N 3.4Å
618L92.3Very high85.9Confident11 Ų1155.1 Ų55.16%0.05829%0.285CS..Hα-helixtrans-59.5-44.2-174.2179.662.1000113.8I512 L516 F586 L612 A613 A620 Y621 V622I512-L618 HydrophobicContact CD1-CD2 4.48Å; I512-L618 HydrophobicContact CG2-CD2 3.98Å; L516-L618 HydrophobicContact CD1-CD1 4.22Å; L516-L618 HydrophobicContact CD2-CD1 3.89Å; L516-L618 HydrophobicContact CG-CD1 4.38Å; F586-L618 HydrophobicContact CB-CD2 4.35Å; F586-L618 HydrophobicContact CD2-CD2 3.92Å; L612-L618 HydrophobicContact CB-CB 3.96Å; L612-L618 HydrophobicContact CB-CD1 4.16Å; L612-L618 HydrophobicContact CD1-CD1 4.37Å; L612-L618 PolarHBondContact O-N 3.48Å; A613-L618 HydrophobicContact CB-CB 4.4Å; A613-L618 HydrophobicContact CB-CD2 3.99Å; L618-A620 PolarHBondContact O-N 2.94Å; L618-Y621 PolarHBondContact O-N 3.34Å; L618-V622 HydrophobicContact CD1-CG2 3.81Å; L618-V622 HydrophobicContact CG-CG2 4.37Å; L618-V622 WeakPolarHBondContact O-CB 3.35Å; L618-V622 WeakPolarHBondContact O-CG2 3.24Å; L618-V622 PolarHBondContact O-N 3.39Å
619S87.2Confident83.6Confident61 Ų6155.9 Ų55.943%0.42729%0.29SS..Hα-helixtrans-60.7-46.1-179.752.90000111.6R617 V622 Q623R617-S619 PolarHBondContact O-N 3.35Å; S619-V622 PolarHBondContact O-N 3.49Å; S619-Q623 WeakPolarHBondContact O-CB 3.26Å; S619-Q623 WeakPolarHBondContact O-CG 2.93Å; S619-Q623 PolarHBondContact O-N 3.07Å
620A87.8Confident81.5Confident63 Ų6356.4 Ų56.452%0.52129%0.294SS..Hα-helixtrans-63.4-40.6176.700000112.1R617 L618 Q623 N624R617-A620 PolarHBondContact O-N 2.96Å; L618-A620 PolarHBondContact O-N 2.94Å; A620-Q623 PolarHBondContact O-N 3.03Å; A620-N624 PolarHBondContact O-N 2.91Å
621Y88.3Confident79Confident37 Ų3759.4 Ų59.415%0.14531%0.312CS..Hα-helixtrans-63.4-46178.3-177.7-94.5000112.4Y331 L516 L612 R617 L618 Q623 N624 L628Y331-Y621 HydrophobicContact CE1-CE2 4Å; Y331-Y621 PolarHBondContact OH-OH 2.92Å; L516-Y621 HydrophobicContact CD2-CD1 4.17Å; L516-Y621 HydrophobicContact CD2-CE1 4.15Å; L612-Y621 HydrophobicContact CD1-CD1 3.59Å; L612-Y621 HydrophobicContact CD1-CD2 3.8Å; L612-Y621 HydrophobicContact CD1-CE1 4.1Å; L612-Y621 HydrophobicContact CD1-CE2 4.29Å; L612-Y621 HydrophobicContact CD1-CG 3.42Å; L612-Y621 VanDerWaalsContact CD1-CG 3.42Å; R617-Y621 PolarHBondContact O-N 3.4Å; L618-Y621 PolarHBondContact O-N 3.34Å; Y621-Q623 VanDerWaalsContact C-N 3.34Å; Y621-N624 PolarHBondContact O-N 3.26Å; Y621-L628 PolarHBondContact OH-O 2.94Å
622V84.8Confident76.2Confident10 Ų1064.9 Ų64.96%0.06134%0.338CS..Hα-helixtrans-73.1-26.8-177.9171.50000112.5F507 R515 L516 L618 S619 N624F507-V622 HydrophobicContact CE2-CB 4.14Å; F507-V622 HydrophobicContact CE2-CG1 3.85Å; F507-V622 HydrophobicContact CZ-CB 3.83Å; F507-V622 HydrophobicContact CZ-CG1 3.61Å; R515-V622 HydrophobicContact CB-CG1 3.54Å; R515-V622 HydrophobicContact CG-CG1 4.03Å; L516-V622 HydrophobicContact CD2-CG2 3.87Å; L516-V622 HydrophobicContact CG-CG2 4.29Å; L618-V622 HydrophobicContact CD1-CG2 3.81Å; L618-V622 HydrophobicContact CG-CG2 4.37Å; L618-V622 WeakPolarHBondContact O-CB 3.35Å; L618-V622 WeakPolarHBondContact O-CG2 3.24Å; L618-V622 PolarHBondContact O-N 3.39Å; S619-V622 PolarHBondContact O-N 3.49Å; V622-N624 VanDerWaalsContact C-N 3.3Å
623Q78.5Confident73.1Confident110 Ų11072.8 Ų72.851%0.51437%0.372SS..Hα-helixtrans-74.1-20.1175.2-75.2172.59.500113.3F507 S619 A620 Y621 P625F507-Q623 HydrophobicContact CD2-CG 3.99Å; F507-Q623 HydrophobicContact CE2-CG 3.79Å; S619-Q623 WeakPolarHBondContact O-CB 3.26Å; S619-Q623 WeakPolarHBondContact O-CG 2.93Å; S619-Q623 PolarHBondContact O-N 3.07Å; A620-Q623 PolarHBondContact O-N 3.03Å; Y621-Q623 VanDerWaalsContact C-N 3.34Å; Q623-P625 WeakPolarHBondContact O-CD 2.93Å
624N78.5Confident70Confident78 Ų7876.8 Ų76.842%0.41740%0.396SS..  trans-77113.5-177.8-170.5-9.6000110.5A620 Y621 V622 F626 R627A620-N624 PolarHBondContact O-N 2.91Å; Y621-N624 PolarHBondContact O-N 3.26Å; V622-N624 VanDerWaalsContact C-N 3.3Å; N624-F626 PolarHBondContact O-N 3.36Å; N624-F626 PolarHBondContact OD1-N 3.36Å; N624-R627 WeakPolarHBondContact O-CD 3.29Å; N624-R627 WeakPolarHBondContact O-CG 3.43Å; N624-R627 PolarHBondContact O-N 3.04Å
625P64.4Low66.6Low107 Ų10782.9 Ų82.970%0.69543%0.426SS*.THydrogen-bonded Turntrans-67.3-23.6179.528-34.2000112.6Q623Q623-P625 WeakPolarHBondContact O-CD 2.93Å
626F60.2Low63.4Low180 Ų18088.6 Ų88.679%0.78946%0.455SS*.THydrogen-bonded Turntrans-99.429.6-179.7-60.5-72.1000112.9N624 L628N624-F626 PolarHBondContact O-N 3.36Å; N624-F626 PolarHBondContact OD1-N 3.36Å; F626-L628 PolarHBondContact O-N 3.23Å
627R66.6Low60.4Low38 Ų3887 Ų8714%0.14345%0.45CS..  trans-63.2127.9173.758.9-166.3173.6146.83.5109.9R515 N518 N624 S629R515-R627 VanDerWaalsContact C-NH1 3.32Å; R515-R627 PolarHBondContact O-NH1 2.9Å; R515-R627 PolarHBondContact O-NH2 2.48Å; N518-R627 PolarHBondContact OD1-NH2 3.37Å; N624-R627 WeakPolarHBondContact O-CD 3.29Å; N624-R627 WeakPolarHBondContact O-CG 3.43Å; N624-R627 PolarHBondContact O-N 3.04Å; R627-S629 VanDerWaalsContact C-N 3.26Å; R627-S629 PolarHBondContact O-N 3.08Å
628L53Low57.6Low144 Ų14490.3 Ų90.375%0.75448%0.475SS*.  trans-67.391.4164.3-72.4165.7000106.8Y331 Y621 F626 P630Y331-L628 PolarHBondContact OH-O 2.85Å; Y621-L628 PolarHBondContact OH-O 2.94Å; F626-L628 PolarHBondContact O-N 3.23Å; L628-P630 VanDerWaalsContact O-CD 3.31Å; L628-P630 WeakPolarHBondContact O-CD 3.41Å
629S47.9Very low54.8Low15 Ų1595.5 Ų95.511%0.10550%0.502CS..  trans-58.2124.6170.8166.20000107.6R627 T631 Q632R627-S629 VanDerWaalsContact C-N 3.26Å; R627-S629 PolarHBondContact O-N 3.08Å; S629-T631 PolarHBondContact O-N 2.95Å; S629-T631 PolarHBondContact OG-N 3.34Å; S629-T631 VanDerWaalsContact OG-N 3.13Å; S629-T631 PolarHBondContact OG-OG1 3.46Å; S629-T631 VanDerWaalsContact OG-OG1 3.05Å; S629-Q632 PolarHBondContact O-N 2.77Å
630P52.6Low52.3Low11 Ų1199.5 Ų99.57%0.07151%0.512CS..THydrogen-bonded Turntrans-54.5-18.6172.5-24.633.4000113.1Y331 H602 P603 I605 L628Y331-P630 HydrophobicContact CE1-CG 4.3Å; Y331-P630 HydrophobicContact CE2-CG 3.99Å; H602-P630 PolarHBondContact CD2-O 3.47Å; P603-P630 HydrophobicContact CG-CB 4.12Å; P603-P630 HydrophobicContact CG-CG 4.25Å; P603-P630 WeakPolarHBondContact O-CB 3.39Å; I605-P630 HydrophobicContact CD1-CG 4.15Å; L628-P630 VanDerWaalsContact O-CD 3.31Å; L628-P630 WeakPolarHBondContact O-CD 3.41Å
631T45.5Very low49.6Very low64 Ų64105.2 Ų105.239%0.39353%0.525SS..THydrogen-bonded Turntrans-98.4-7.6-173.4-3.50000113.8S629 F633S629-T631 PolarHBondContact O-N 2.95Å; S629-T631 PolarHBondContact OG-N 3.34Å; S629-T631 VanDerWaalsContact OG-N 3.13Å; S629-T631 PolarHBondContact OG-OG1 3.46Å; S629-T631 VanDerWaalsContact OG-OG1 3.05Å; T631-F633 PolarHBondContact O-N 2.13Å
632Q38.1Very low46.9Very low114 Ų114109.7 Ų109.753%0.53355%0.552SS.*THydrogen-bonded Turntrans-101.344.4-163.4-153.9160.77.800114.4N518 S629N518-Q632 PolarHBondContact ND2-OE1 3.15Å; S629-Q632 PolarHBondContact O-N 2.77Å
633F30.9Very low44.4Very low176 Ų176114.8 Ų114.877%0.77258%0.583SS**THydrogen-bonded Turntrans-10512.9161.8-93.2-74.8000113.4T631T631-F633 PolarHBondContact O-N 2.13Å
634V31.8Very low42.1Very low91 Ų91115 Ų11555%0.55259%0.591SS**  trans-112.8125.1175.1-171.10000108.5
635L27.4Very low39.9Very low139 Ų139116.5 Ų116.573%0.72860%0.599SS**SBendtrans95.784.7177.8-49.3175.6000116.2
636D27Very low38.4Very low140 Ų140118.7 Ų118.775%0.74960%0.604SS**  -174.498.9113.1-88.2-17.8000109.3D638D636-D638 PolarHBondContact O-N 3.5Å
637E32.1Very low37Very low150 Ų150118.1 Ų118.170%0.70161%0.608SS**G310 helixtrans-77-2.3172.5-89.7-105140.400112.5K640E637-K640 IonicContact OE1-NZ 3.87Å; E637-K640 PolarHBondContact OE1-NZ 2.74Å; E637-K640 IonicContact OE2-NZ 2.78Å; E637-K640 PolarHBondContact OE2-NZ 3Å
638D33.7Very low35.2Very low158 Ų158123.7 Ų123.785%0.84563%0.633SS**G310 helixtrans-90.70.9-174.5-82.6-34.6000115.6D636D636-D638 PolarHBondContact O-N 3.5Å
639D33.6Very low34.1Very low119 Ų119124.5 Ų124.564%0.63664%0.637SS**G310 helixtrans-11229.5-179.5-111.8-4000114.9K641D639-K641 PolarHBondContact O-N 2.85Å
640K35Very low33.2Very low145 Ų145129.5 Ų129.563%0.6367%0.672SS**THydrogen-bonded Turntrans-68.719.6172.8-74.5-180-178.71590114.6E637E637-K640 IonicContact OE1-NZ 3.87Å; E637-K640 PolarHBondContact OE1-NZ 2.74Å; E637-K640 IonicContact OE2-NZ 2.78Å; E637-K640 PolarHBondContact OE2-NZ 3Å
641K32.4Very low32Very low184 Ų184133.6 Ų133.680%0.871%0.706SS**THydrogen-bonded Turntrans-111.8-13.4179.5-82.1-173.9176.8174.50116.9D639D639-K641 PolarHBondContact O-N 2.85Å
642D31.7Very low31.2Very low131 Ų131135.8 Ų135.870%0.70173%0.725SS**SBendtrans-118.113.3-171.1-74.7-14.2000116.4
643T31Very low30.9Very low116 Ų116142.3 Ų142.371%0.71274%0.744SS**  trans-100.512.7179.444.10000115.6
644V31.9Very low30.9Very low114 Ų114144 Ų14469%0.69175%0.751SS**SBendtrans-85.5-9.9-179.1-179.70000113.9
645D32.3Very low30.7Very low110 Ų110148.2 Ų148.259%0.58877%0.77SS**SBendtrans-1146.7-169.4-84.9-35.8000117.5K648D645-K648 IonicContact OD1-NZ 3.15Å; D645-K648 PolarHBondContact OD1-NZ 3.35Å
646I32.3Very low30.8Very low154 Ų154150.6 Ų150.679%0.7977%0.774SS**SBendtrans-96.1-4.5179.6-64.4177.3000113.6
647L29.9Very low31.2Very low167 Ų167151 Ų15187%0.87478%0.776SS**SBendtrans-102.311.5178.2-78.5164.8000115.3I649L647-I649 PolarHBondContact O-N 3.23Å
648K29.7Very low31Very low155 Ų155150 Ų15067%0.67478%0.78SS**  trans-87.49.3180-79.4178.4-176.4154.40115.8D645D645-K648 IonicContact OD1-NZ 3.15Å; D645-K648 PolarHBondContact OD1-NZ 3.35Å
649I29.8Very low31Very low161 Ų161149.4 Ų149.483%0.82678%0.783SS**SBendtrans-120.680.8-179.8-54.9173.9000109.6L647L647-I649 PolarHBondContact O-N 3.23Å
650S28.4Very low30.8Very low120 Ų120148 Ų14884%0.83978%0.782SS**SBendtrans172.4-6.3152.844.80000114.9S652S650-S652 PolarHBondContact O-N 3Å; S650-S652 VanDerWaalsContact O-N 3.14Å
651A28Very low30.7Very low97 Ų97149.7 Ų149.780%0.80279%0.792SS**  trans-85.381.7172.300000111.6
652S27.8Very low30.4Very low111 Ų111146.2 Ų146.278%0.77679%0.789SS**  trans-157.892.1165.5-81.40000111.4S650S650-S652 PolarHBondContact O-N 3Å; S650-S652 VanDerWaalsContact O-N 3.14Å
653R32.4Very low30.3Very low251 Ų251144.9 Ų144.995%0.94779%0.79SS**SBendtrans-168.991.8145-102.9160.3-166.3-161.34.6111.9
654K31.5Very low30.3Very low211 Ų211149.8 Ų149.892%0.91780%0.796SS**  trans44.7109.1143-66.4-177.3176.4-178.90120
655L26.6Very low30.2Very low180 Ų180152.3 Ų152.394%0.94280%0.8SS**  trans-106.4123.6150.1-112.6121.2000109.1
656K31.1Very low30.2Very low189 Ų189152 Ų15282%0.82281%0.806SS**  trans-164.9124.4161.5-84.8-161.5-177.7-1760103.9
657D34.1Very low30.1Very low147 Ų147150.8 Ų150.879%0.78681%0.806SS**  cis-152.8145.149-75.4-52.7000113.9
658T29Very low30.2Very low129 Ų129148.2 Ų148.279%0.79180%0.802SS**  trans-59.7144.4158.218.20000113.5
659V33.8Very low30.1Very low147 Ų147146.5 Ų146.589%0.89181%0.805SS**  -157.7129.2123176.30000110
660S27.6Very low30.2Very low88 Ų88144.7 Ų144.762%0.61581%0.805SS**  trans-91.4139.7168.452.70000111.9
661H34.6Very low30.2Very low181 Ų181145.6 Ų145.684%0.83880%0.799SS**  -176.9126.8129.2-102.6-45.6000114.4
662C26.3Very low30.4Very low112 Ų112148.6 Ų148.676%0.75780%0.798SS**  trans16126.5147.5-88.10000123.6
663S28.6Very low30.4Very low102 Ų102150 Ų15071%0.71380%0.798SS**  85.5122.6120.968.50000122.4
664R30.6Very low30.7Very low220 Ų220143.4 Ų143.483%0.8379%0.787SS**  trans84.2118.9140.6-74.7-178.3-177.9178.20.1121
665E30.1Very low31Very low166 Ų166142 Ų14278%0.77679%0.788SS**  trans80.3120131.4-74.3175.4179.100122
666S32.4Very low31.2Very low103 Ų103140.2 Ų140.272%0.7278%0.779SS**  trans94.4110.1132.571.80000120.1
667T29.7Very low31.4Very low129 Ų129135.1 Ų135.179%0.79177%0.767SS**  trans48.2117.5131.855.40000120.2
668S32.5Very low31.4Very low113 Ų113134.5 Ų134.579%0.7976%0.764SS**  170.2123.610456.40000113.5
669T28.4Very low31.5Very low119 Ų119136.9 Ų136.973%0.7376%0.763SS**  trans-4.6142.3148.335.90000122.4
670C30.1Very low31.5Very low124 Ų124135.3 Ų135.384%0.83875%0.754SS**  trans176.2105.3130.2-91.70000108
671I29.8Very low31.7Very low138 Ų138136.6 Ų136.671%0.70876%0.758SS**  69.3133.773.3-50.4176.9000115.4
672M31.4Very low31.8Very low160 Ų160133 Ų13379%0.78875%0.753SS**  trans95.3136162.3-53.8-65.8-150.300116.6
673D28.5Very low32Very low142 Ų142132.6 Ų132.676%0.75975%0.752SS**  cis-178.1160.3-24.4-113.3-16000106.6
674P38.7Very low32.4Very low112 Ų112133.3 Ų133.373%0.72775%0.752SS**  trans-102.8158.4-172.537.7-30.1000114.2
675I36.1Very low32.5Very low182 Ų182129.6 Ų129.693%0.93375%0.748SS**  trans-137.6145.7168.8-62.6-177.5000111.9
676N32.9Very low32.6Very low142 Ų142127.9 Ų127.976%0.75975%0.749SS**  trans-109.4162-153.7-163.62.1000112.4
677S33.2Very low32.2Very low81 Ų81130.7 Ų130.757%0.56676%0.756SS**  trans102.4130.4131.986.30000122.6
678N34.5Very low32.5Very low135 Ų135138 Ų13872%0.72278%0.778SS**  trans76.1139.3136.6-67.6-23.3000118.2
679K31Very low32.5Very low179 Ų179139.3 Ų139.378%0.77878%0.777SS**  cis-179162.69.3-127.6179.5-178.21790108.7
680V34.7Very low32.7Very low113 Ų113140.4 Ų140.469%0.68578%0.78SS**  trans102.897.9139.1171.50000120.8
681T31.9Very low32.9Very low116 Ų116141.3 Ų141.371%0.71278%0.776SS**  62.7129.812668.90000124.6
682S35.8Very low33.1Very low104 Ų104141.5 Ų141.573%0.72778%0.78SS**  158116.1102.455.90000110.2
683S32.1Very low33.2Very low105 Ų105140.3 Ų140.373%0.73478%0.78SS**  74.9126.211173.80000113.9
684V37Very low33.5Very low117 Ų117140.2 Ų140.271%0.70978%0.781SS**  -178.3140.162163.90000109.4
685N31Very low33.1Very low141 Ų141142.2 Ų142.275%0.75479%0.785SS**  trans27.2146.8142.2-59.9-14.8000121
686T33.9Very low32.9Very low131 Ų131139.2 Ų139.280%0.80477%0.774SS**  cis-173.5135.828.13.90000108.1
687D24Very low32.9Very low161 Ų161138.9 Ų138.986%0.86178%0.775SS**  trans-95150.6165.8-78.1-36.9000110.8
688F35.3Very low32.8Very low284 Ų284144.2 Ų144.2100%1.24679%0.794SS**  trans-127.50144.5-110.7-71.4000108

Retrieved 688 of 688 residues in 1129.2 ms (Link to these results)

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