A0A3B3UY77_9TELE Loading...

Chromosome 11 open reading frame 54

AlphaFold DB , UniProt , Accession A0A3B3UY77, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 319 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
1M32.6Very low70.4Confident241 Ų241114.2 Ų114.2100%1.18760%0.599SS**  0101.60-73.2-173.6-85.600105.7
2A34.8Very low72.7Confident101 Ų101105.4 Ų105.484%0.83555%0.553SS**  trans-67.7135.7-176.700000109.2I4A2-I4 PolarHBondContact O-N 3.13Å
3D41.1Very low74.7Confident152 Ų152101.5 Ų101.581%0.81353%0.53SS*.  trans-42.7126.6177.8-140.6-7.2000110.3S5D3-S5 PolarHBondContact O-N 3.1Å
4I44Very low76.3Confident160 Ų16097.4 Ų97.482%0.82152%0.518SS*.  trans-64.9104.4-179.1-61.8170.1000106.7A2 K6A2-I4 PolarHBondContact O-N 3.13Å; I4-K6 PolarHBondContact O-N 3.32Å
5S56.6Low77.7Confident33 Ų3391.6 Ų91.623%0.23149%0.488CS..  trans-56.9127.8173.41170000108.1D3 T7 D308D3-S5 PolarHBondContact O-N 3.1Å; S5-T7 PolarHBondContact O-N 3.03Å; S5-D308 WeakPolarHBondContact OG-CA 3.36Å; S5-D308 PolarHBondContact OG-N 2.94Å
6K79.2Confident79Confident181 Ų18189.8 Ų89.879%0.78749%0.49SS*.  trans-73.1101.2176.9-173.1-178.5-179.6-174.60108.1I4 E8I4-K6 PolarHBondContact O-N 3.32Å; K6-E8 PolarHBondContact O-N 3.12Å
7T95.2Very high80.2Confident47 Ų4786.6 Ų86.629%0.28847%0.472SS..  trans-65.4120.5173.2-580000109.6S5 E90 Y305 R306 I307S5-T7 PolarHBondContact O-N 3.03Å; T7-E90 PolarHBondContact OG1-OE2 3.21Å; T7-Y305 HydrophobicContact CG2-CD1 3.88Å; T7-R306 WeakPolarHBondContact CA-O 3.18Å; T7-I307 HydrophobicContact CG2-CD1 4.38Å; T7-I307 HydrophobicContact CG2-CG1 3.69Å
8E97.1Very high81.2Confident58 Ų5887.9 Ų87.927%0.27147%0.474SS..EExtended strand (participates in β ladder)trans-95.1136.9175.5-57.3173.58100108.8K6 L264 Y305 R306 R309K6-E8 PolarHBondContact O-N 3.12Å; E8-L264 HydrophobicContact CB-CD2 4.14Å; E8-Y305 CarbonylContact O-C 3.59Å; E8-Y305 WeakPolarHBondContact O-CA 3.44Å; E8-R306 HydrophobicContact CB-CB 4.2Å; E8-R306 PolarHBondContact N-O 2.98Å; E8-R306 PolarHBondContact O-N 3.27Å; E8-R309 IonicContact OE1-CZ 3.67Å; E8-R309 IonicContact OE1-NH2 3.18Å; E8-R309 PolarHBondContact OE1-NH2 3.33Å; E8-R309 IonicContact OE2-CZ 2.72Å; E8-R309 IonicContact OE2-NE 3.82Å; E8-R309 PolarHBondContact OE2-NE 3.27Å; E8-R309 VanDerWaalsContact OE2-NE 3.07Å; E8-R309 IonicContact OE2-NH2 3.78Å; E8-R309 PolarHBondContact OE2-NH2 3.34Å
9K97.4Very high82.1Confident85 Ų8588.2 Ų88.237%0.3747%0.472SS..EExtended strand (participates in β ladder)trans-124.7126.9-178179.1-177.1-178.7173.50109.5E92 F303 V304 Y305K9-E92 IonicContact NZ-OE1 3.7Å; K9-E92 PolarHBondContact NZ-OE1 2.95Å; K9-E92 IonicContact NZ-OE2 2.96Å; K9-E92 PolarHBondContact NZ-OE2 3.27Å; K9-F303 HydrophobicContact CD-CD1 4.47Å; K9-F303 VanDerWaalsContact CE-CD1 3.49Å; K9-F303 HydrophobicContact CG-CD1 4.24Å; K9-V304 WeakPolarHBondContact CA-O 3.48Å; K9-Y305 HydrophobicContact CB-CD1 4.26Å; K9-Y305 HydrophobicContact CB-CE1 4.16Å; K9-Y305 HydrophobicContact CD-CE1 3.72Å; K9-Y305 WeakPolarHBondContact CE-OH 3.26Å; K9-Y305 HydrophobicContact CG-CD1 4.3Å; K9-Y305 HydrophobicContact CG-CE1 3.85Å; K9-Y305 PolarHBondContact NZ-OH 2.83Å
10V98.1Very high82.9Confident44 Ų4483.9 Ų83.927%0.26745%0.449SS..EExtended strand (participates in β ladder)trans-124.8133.3174.4171.60000109.1P262 L264 F303 V304V10-P262 HydrophobicContact CG1-CB 4.2Å; V10-P262 HydrophobicContact CG1-CG 4.2Å; V10-L264 HydrophobicContact CB-CD1 4.22Å; V10-L264 HydrophobicContact CG2-CD1 3.81Å; V10-L264 HydrophobicContact CG2-CD2 4.41Å; V10-L264 HydrophobicContact CG2-CG 4.4Å; V10-F303 WeakPolarHBondContact O-CA 3.2Å; V10-V304 HydrophobicContact CB-CG1 3.73Å; V10-V304 HydrophobicContact CG1-CG1 4.34Å; V10-V304 PolarHBondContact N-O 2.84Å; V10-V304 PolarHBondContact O-N 2.72Å
11Q98.3Very high83.7Confident154 Ų15484.4 Ų84.472%0.7245%0.445SS*.EExtended strand (participates in β ladder)trans-75.3130.3170.7-174.6175.14.600109.3F303Q11-F303 HydrophobicContact CB-CD1 4.16Å; Q11-F303 HydrophobicContact CB-CE1 4Å; Q11-F303 HydrophobicContact CG-CD1 4.43Å; Q11-F303 HydrophobicContact CG-CE1 4.04Å
12L98.5Very high86.8Confident9 Ų974.5 Ų74.55%0.04740%0.404CS..PPolyproline II helixtrans-94.8158.4178.6-64.1173.9000110.6A14 I63 A206 A301 E302 V304L12-A14 PolarHBondContact O-N 3.47Å; L12-I63 HydrophobicContact CD1-CD1 4.43Å; L12-I63 HydrophobicContact CD1-CG1 4.16Å; L12-A206 HydrophobicContact CD1-CB 3.58Å; L12-A301 HydrophobicContact CD1-CB 3.94Å; L12-E302 PolarHBondContact N-O 2.99Å; L12-V304 HydrophobicContact CD1-CB 4.14Å; L12-V304 HydrophobicContact CD2-CB 4.33Å; L12-V304 HydrophobicContact CD2-CG1 3.88Å; L12-V304 HydrophobicContact CG-CB 4.34Å; L12-V304 HydrophobicContact CG-CG1 4.22Å
13H98.2Very high89.9Confident54 Ų5470.6 Ų70.625%0.2537%0.37CS..PPolyproline II helixtrans-75.5124164.8-17353.5000109.4Y200 K203 S204 L205H13-Y200 AromaticContact CD2-CD1 3.97Å; H13-Y200 AromaticContact NE2-CE1 3.94Å; H13-K203 HydrophobicContact CB-CB 3.86Å; H13-K203 HydrophobicContact CB-CD 3.98Å; H13-K203 HydrophobicContact CB-CG 4.45Å; H13-K203 WeakPolarHBondContact CD2-CD 3.38Å; H13-K203 PolarHBondContact CE1-NZ 2.96Å; H13-K203 VanDerWaalsContact CE1-NZ 3.32Å; H13-K203 VanDerWaalsContact CG-CD 3.45Å; H13-K203 WeakPolarHBondContact NE2-CD 3.31Å; H13-K203 PolarHBondContact NE2-NZ 3.1Å; H13-S204 PolarHBondContact N-O 2.71Å; H13-L205 HydrophobicContact CB-CD1 4.22Å; H13-L205 HydrophobicContact CB-CG 4.07Å; H13-L205 WeakPolarHBondContact O-CG 3.44Å
14A97.5Very high92.6Very high45 Ų4563.4 Ų63.437%0.37233%0.331SS..  trans-124.591.6176.500000108.8L12 P300L12-A14 PolarHBondContact O-N 3.47Å; A14-P300 HydrophobicContact CB-CB 4.15Å; A14-P300 HydrophobicContact CB-CG 4.47Å
15P97.6Very high95.2Very high10 Ų1057.5 Ų57.57%0.06530%0.3CS..  trans-65.1165.6175.2-13.225.2000111.9E19 L20 Y200 L205P15-E19 HydrophobicContact CB-CB 4.44Å; P15-E19 HydrophobicContact CB-CG 4.35Å; P15-L20 HydrophobicContact CB-CD2 4.2Å; P15-L20 HydrophobicContact CB-CG 4.07Å; P15-L20 HydrophobicContact CG-CD2 3.84Å; P15-L20 HydrophobicContact CG-CG 4.2Å; P15-Y200 HydrophobicContact CG-CE1 4.09Å; P15-Y200 HydrophobicContact CG-CE2 4.2Å; P15-L205 HydrophobicContact CG-CD2 3.68Å
16A98.2Very high97.2Very high62 Ų6258.6 Ų58.651%0.51231%0.312SS..  trans-62.5147175.200000110.9E18 E19 L20A16-E18 PolarHBondContact O-N 3.42Å; A16-E19 HydrophobicContact CB-CB 4.47Å; A16-E19 WeakPolarHBondContact O-CB 3.35Å; A16-E19 PolarHBondContact O-N 2.85Å; A16-L20 PolarHBondContact O-N 3.04Å
17L98.7Very high98.1Very high36 Ų3650.6 Ų50.619%0.18828%0.281CS..Hα-helixtrans-58.6-35.7-178.1-58.1-174.7000112.5E19 L20 R21 V39 K173 I175 L299 P300L17-E19 VanDerWaalsContact C-N 3.35Å; L17-L20 PolarHBondContact O-N 3.29Å; L17-R21 WeakPolarHBondContact O-CB 3.33Å; L17-R21 PolarHBondContact O-N 2.89Å; L17-V39 HydrophobicContact CB-CG1 4.04Å; L17-V39 HydrophobicContact CB-CG2 3.75Å; L17-V39 HydrophobicContact CD1-CG1 4.03Å; L17-K173 HydrophobicContact CD1-CB 3.86Å; L17-I175 HydrophobicContact CB-CG1 4.4Å; L17-I175 HydrophobicContact CD2-CD1 4.17Å; L17-I175 HydrophobicContact CD2-CG1 4.09Å; L17-L299 HydrophobicContact CD1-CD2 4.15Å; L17-L299 HydrophobicContact CD2-CD2 3.86Å; L17-P300 HydrophobicContact CD2-CG 3.95Å
18E98.4Very high98.3Very high110 Ų11048.4 Ų48.451%0.51427%0.267SS..Hα-helixtrans-69.2-30.8177.2-73.4-59.6158.300113.6A16 R21 V39A16-E18 PolarHBondContact O-N 3.42Å; E18-R21 WeakPolarHBondContact O-CB 3.46Å; E18-R21 WeakPolarHBondContact OE2-CD 3.34Å; E18-R21 IonicContact OE2-CZ 2.75Å; E18-R21 IonicContact OE2-NE 2.94Å; E18-R21 PolarHBondContact OE2-NE 3.48Å; E18-V39 HydrophobicContact CG-CG2 4.36Å; E18-V39 WeakPolarHBondContact OE1-CB 3.38Å; E18-V39 WeakPolarHBondContact OE1-CG2 3.36Å
19E98.4Very high98.4Very high94 Ų9450.8 Ų50.844%0.43928%0.278SS..Hα-helixtrans-70.1-49.6172.7-178.2-179.3164.800109.8P15 A16 L17 R21 G22 V23 Y200P15-E19 HydrophobicContact CB-CB 4.44Å; P15-E19 HydrophobicContact CB-CG 4.35Å; A16-E19 HydrophobicContact CB-CB 4.47Å; A16-E19 WeakPolarHBondContact O-CB 3.35Å; A16-E19 PolarHBondContact O-N 2.85Å; L17-E19 VanDerWaalsContact C-N 3.35Å; E19-R21 PolarHBondContact O-N 2.76Å; E19-G22 PolarHBondContact O-N 2.95Å; E19-V23 WeakPolarHBondContact O-CG2 3.43Å; E19-V23 PolarHBondContact O-N 3.17Å; E19-Y200 PolarHBondContact OE1-OH 2.91Å
20L98.6Very high98.4Very high1 Ų151.9 Ų51.91%0.00529%0.292CS..Hα-helixtrans-59-36.4176.1-71.6177.2000112.3P15 A16 L17 G22 V23 L24 I175 L196 Y200 L205 P300P15-L20 HydrophobicContact CB-CD2 4.2Å; P15-L20 HydrophobicContact CB-CG 4.07Å; P15-L20 HydrophobicContact CG-CD2 3.84Å; P15-L20 HydrophobicContact CG-CG 4.2Å; A16-L20 PolarHBondContact O-N 3.04Å; L17-L20 PolarHBondContact O-N 3.29Å; L20-G22 VanDerWaalsContact C-N 3.34Å; L20-G22 PolarHBondContact O-N 3.2Å; L20-V23 PolarHBondContact O-N 2.89Å; L20-L24 VanDerWaalsContact O-CB 3.32Å; L20-L24 WeakPolarHBondContact O-CB 3.4Å; L20-L24 VanDerWaalsContact O-CG 3.24Å; L20-L24 WeakPolarHBondContact O-CG 3.5Å; L20-L24 PolarHBondContact O-N 3.02Å; L20-I175 HydrophobicContact CB-CD1 3.58Å; L20-I175 HydrophobicContact CD1-CD1 3.8Å; L20-I175 HydrophobicContact CG-CD1 4.35Å; L20-L196 HydrophobicContact CD2-CD2 3.7Å; L20-Y200 HydrophobicContact CD2-CE2 4.35Å; L20-L205 HydrophobicContact CD2-CD2 4.38Å; L20-P300 HydrophobicContact CD1-CB 3.87Å; L20-P300 HydrophobicContact CD1-CG 3.75Å
21R98.7Very high98.5Very high96 Ų9650.3 Ų50.336%0.36228%0.282SS..Hα-helixtrans-52.9-51.4175.9-176.7-16666.583.83.6111.4L17 E18 E19 Q25 V37 V39L17-R21 WeakPolarHBondContact O-CB 3.33Å; L17-R21 PolarHBondContact O-N 2.89Å; E18-R21 WeakPolarHBondContact O-CB 3.46Å; E18-R21 WeakPolarHBondContact OE2-CD 3.34Å; E18-R21 IonicContact OE2-CZ 2.75Å; E18-R21 IonicContact OE2-NE 2.94Å; E18-R21 PolarHBondContact OE2-NE 3.48Å; E19-R21 PolarHBondContact O-N 2.76Å; R21-Q25 WeakPolarHBondContact O-CB 3.46Å; R21-Q25 PolarHBondContact O-N 3.2Å; R21-V37 HydrophobicContact CB-CG1 4.42Å; R21-V37 HydrophobicContact CG-CB 4.39Å; R21-V37 HydrophobicContact CG-CG1 4.05Å; R21-V37 VanDerWaalsContact CG-O 3.23Å; R21-V37 WeakPolarHBondContact CG-O 3.4Å; R21-V39 HydrophobicContact CB-CG2 4.11Å
22G98.5Very high98.5Very high32 Ų3243.1 Ų43.133%0.3325%0.248SC..Hα-helixtrans-66.8-42.7-179.500000112.7E19 L20 Q25 A26E19-G22 PolarHBondContact O-N 2.95Å; L20-G22 VanDerWaalsContact C-N 3.34Å; L20-G22 PolarHBondContact O-N 3.2Å; G22-Q25 PolarHBondContact O-N 3.19Å; G22-A26 PolarHBondContact O-N 3.48Å
23V98.7Very high98.5Very high20 Ų2045.1 Ų45.112%0.12127%0.266CS..Hα-helixtrans-61.4-49.7179169.20000111.3E19 L20 A26 G27 T195 L196 Q199 Y200E19-V23 WeakPolarHBondContact O-CG2 3.43Å; E19-V23 PolarHBondContact O-N 3.17Å; L20-V23 PolarHBondContact O-N 2.89Å; V23-A26 PolarHBondContact O-N 3.01Å; V23-G27 PolarHBondContact O-N 2.96Å; V23-G27 VanDerWaalsContact O-N 3.12Å; V23-T195 HydrophobicContact CG1-CG2 3.85Å; V23-T195 VanDerWaalsContact O-CG2 3.27Å; V23-T195 WeakPolarHBondContact O-CG2 3.31Å; V23-L196 HydrophobicContact CG1-CD2 4.45Å; V23-Q199 HydrophobicContact CB-CG 4.43Å; V23-Q199 HydrophobicContact CG1-CB 3.8Å; V23-Q199 HydrophobicContact CG1-CG 3.74Å; V23-Q199 HydrophobicContact CG2-CG 3.77Å; V23-Y200 HydrophobicContact CG1-CE2 4.38Å
24L98.8Very high98.5Very high0 Ų047.2 Ų47.20%028%0.276CS..Hα-helixtrans-69.7-35.6-178.4-65.3177.5000112.1L20 L28 V37 I175 L192 T195 L196 L207L20-L24 VanDerWaalsContact O-CB 3.32Å; L20-L24 WeakPolarHBondContact O-CB 3.4Å; L20-L24 VanDerWaalsContact O-CG 3.24Å; L20-L24 WeakPolarHBondContact O-CG 3.5Å; L20-L24 PolarHBondContact O-N 3.02Å; L24-L28 VanDerWaalsContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CB 3.33Å; L24-L28 VanDerWaalsContact O-CG 3.24Å; L24-L28 WeakPolarHBondContact O-CG 3.32Å; L24-L28 PolarHBondContact O-N 2.95Å; L24-V37 HydrophobicContact CB-CG1 4.2Å; L24-V37 HydrophobicContact CB-CG2 4.3Å; L24-I175 HydrophobicContact CD1-CD1 4.14Å; L24-I175 HydrophobicContact CD1-CG2 4.12Å; L24-L192 HydrophobicContact CD1-CD2 4.25Å; L24-L192 HydrophobicContact CD2-CD2 3.79Å; L24-L192 HydrophobicContact CG-CD2 4.41Å; L24-T195 HydrophobicContact CD2-CG2 4.29Å; L24-L196 HydrophobicContact CD2-CD2 3.86Å; L24-L196 HydrophobicContact CD2-CG 4.07Å; L24-L207 HydrophobicContact CD1-CD1 4.22Å
25Q98.8Very high98.6Very high36 Ų3646.1 Ų46.117%0.16827%0.265CS..Hα-helixtrans-55.1-56.7172.7179.973.935.900110.3R21 G22 G27 L28 E29 V35 V37R21-Q25 WeakPolarHBondContact O-CB 3.46Å; R21-Q25 PolarHBondContact O-N 3.2Å; G22-Q25 PolarHBondContact O-N 3.19Å; Q25-G27 VanDerWaalsContact C-N 3.35Å; Q25-G27 PolarHBondContact O-N 2.86Å; Q25-L28 PolarHBondContact O-N 3.37Å; Q25-E29 PolarHBondContact NE2-OE1 3.15Å; Q25-E29 WeakPolarHBondContact O-CG 3.22Å; Q25-E29 PolarHBondContact O-N 2.94Å; Q25-E29 VanDerWaalsContact O-N 3.12Å; Q25-V35 PolarHBondContact NE2-O 2.72Å; Q25-V37 HydrophobicContact CB-CB 4.18Å; Q25-V37 HydrophobicContact CB-CG2 4.2Å
26A98.6Very high98.6Very high57 Ų5750.9 Ų50.947%0.47129%0.286SS..Hα-helixtrans-62.2-40.5-175.900000112.5G22 V23G22-A26 PolarHBondContact O-N 3.48Å; V23-A26 PolarHBondContact O-N 3.01Å
27G98.6Very high98.7Very high13 Ų1348.2 Ų48.213%0.13426%0.263CS..Hα-helixtrans-72.4-35.1-179.700000114.3V23 Q25 V30 T195V23-G27 PolarHBondContact O-N 2.96Å; V23-G27 VanDerWaalsContact O-N 3.12Å; Q25-G27 VanDerWaalsContact C-N 3.35Å; Q25-G27 PolarHBondContact O-N 2.86Å; G27-V30 WeakPolarHBondContact O-CB 3.27Å; G27-V30 PolarHBondContact O-N 3.33Å; G27-T195 VanDerWaalsContact CA-OG1 3.32Å; G27-T195 WeakPolarHBondContact CA-OG1 3.37Å
28L98.8Very high98.7Very high0 Ų047.6 Ų47.60%026%0.262CS..Hα-helixtrans-71.7-33176.7-73.2171.5000112.2L24 Q25 V30 N31 F32 V35 V37 V177 L188 A191 L192L24-L28 VanDerWaalsContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CB 3.33Å; L24-L28 VanDerWaalsContact O-CG 3.24Å; L24-L28 WeakPolarHBondContact O-CG 3.32Å; L24-L28 PolarHBondContact O-N 2.95Å; Q25-L28 PolarHBondContact O-N 3.37Å; L28-V30 PolarHBondContact O-N 3.19Å; L28-V30 VanDerWaalsContact O-N 3.11Å; L28-N31 PolarHBondContact O-N 2.64Å; L28-F32 HydrophobicContact CD2-CD2 4.16Å; L28-F32 HydrophobicContact CD2-CE2 4.08Å; L28-F32 PolarHBondContact O-N 3.12Å; L28-V35 HydrophobicContact CB-CB 4.45Å; L28-V35 HydrophobicContact CB-CG1 3.66Å; L28-V35 HydrophobicContact CB-CG2 3.89Å; L28-V35 HydrophobicContact CD1-CG1 4.2Å; L28-V37 HydrophobicContact CD1-CG2 3.9Å; L28-V177 HydrophobicContact CD1-CG1 3.44Å; L28-V177 VanDerWaalsContact CD1-CG1 3.44Å; L28-L188 HydrophobicContact CD2-CD1 3.92Å; L28-A191 HydrophobicContact CD2-CB 3.81Å; L28-L192 HydrophobicContact CD1-CD2 3.93Å; L28-L192 HydrophobicContact CD2-CD2 4.14Å; L28-L192 HydrophobicContact CD2-CG 4.34Å; L28-L192 HydrophobicContact CG-CD2 4.24Å
29E98.8Very high98.7Very high109 Ų10943.7 Ų43.751%0.50925%0.245SC..Hα-helixtrans-60.1-20.3176.3-76.8172.4174.500113.1Q25 N31 V35Q25-E29 PolarHBondContact NE2-OE1 3.15Å; Q25-E29 WeakPolarHBondContact O-CG 3.22Å; Q25-E29 PolarHBondContact O-N 2.94Å; Q25-E29 VanDerWaalsContact O-N 3.12Å; E29-N31 VanDerWaalsContact C-N 3.29Å; E29-V35 HydrophobicContact CG-CB 3.93Å; E29-V35 HydrophobicContact CG-CG1 4.41Å; E29-V35 HydrophobicContact CG-CG2 4.21Å
30V98.4Very high98.7Very high107 Ų10741 Ų4165%0.64824%0.235SC*.THydrogen-bonded Turntrans-71-25.8172.8-177.90000112.1G27 L28G27-V30 WeakPolarHBondContact O-CB 3.27Å; G27-V30 PolarHBondContact O-N 3.33Å; L28-V30 PolarHBondContact O-N 3.19Å; L28-V30 VanDerWaalsContact O-N 3.11Å
31N98.6Very high98.7Very high12 Ų1246.2 Ų46.26%0.06426%0.26CS..THydrogen-bonded Turntrans-117.3-10.2-172-68.6-91.8000114.1L28 E29 R182 T183 G184 N186 A191L28-N31 PolarHBondContact O-N 2.64Å; E29-N31 VanDerWaalsContact C-N 3.29Å; N31-R182 CarbonylContact O-C 3.53Å; N31-R182 WeakPolarHBondContact O-CA 3.49Å; N31-R182 WeakPolarHBondContact O-CG 3.27Å; N31-T183 VanDerWaalsContact C-OG1 3.26Å; N31-T183 PolarHBondContact O-N 3.32Å; N31-T183 PolarHBondContact O-OG1 3.4Å; N31-G184 PolarHBondContact O-N 3.38Å; N31-N186 WeakPolarHBondContact OD1-CB 3.26Å; N31-N186 PolarHBondContact OD1-N 3.04Å; N31-N186 PolarHBondContact OD1-ND2 3.02Å; N31-N186 VanDerWaalsContact OD1-ND2 3.1Å; N31-A191 HydrophobicContact CB-CB 4.32Å
32F98.8Very high98.7Very high3 Ų342.3 Ų42.31%0.01325%0.247CC..EExtended strand (participates in β ladder)trans-137140.1-176.2-66.2-87.7000110.8L28 V35 A179 R181 R182 T183 L188 A191 Y294L28-F32 HydrophobicContact CD2-CD2 4.16Å; L28-F32 HydrophobicContact CD2-CE2 4.08Å; L28-F32 PolarHBondContact O-N 3.12Å; F32-V35 HydrophobicContact CB-CG2 3.58Å; F32-A179 HydrophobicContact CB-CB 4.31Å; F32-A179 HydrophobicContact CD1-CB 3.92Å; F32-A179 HydrophobicContact CD2-CB 4.13Å; F32-A179 HydrophobicContact CE1-CB 4.28Å; F32-A179 HydrophobicContact CE2-CB 4.48Å; F32-A179 HydrophobicContact CG-CB 3.85Å; F32-R181 WeakPolarHBondContact CA-O 3.42Å; F32-R182 HydrophobicContact CD1-CB 3.92Å; F32-R182 HydrophobicContact CD1-CG 4.38Å; F32-R182 HydrophobicContact CE1-CB 3.62Å; F32-R182 HydrophobicContact CE1-CG 3.94Å; F32-R182 HydrophobicContact CZ-CB 4.34Å; F32-R182 HydrophobicContact CZ-CG 4.17Å; F32-T183 PolarHBondContact N-OG1 2.8Å; F32-L188 HydrophobicContact CE2-CD1 4.38Å; F32-L188 HydrophobicContact CZ-CB 4.31Å; F32-L188 HydrophobicContact CZ-CD1 4.43Å; F32-A191 HydrophobicContact CE2-CB 4.34Å; F32-Y294 AromaticContact CE1-CD2 3.86Å; F32-Y294 HydrophobicContact CE1-CD2 3.86Å; F32-Y294 AromaticContact CE1-CE2 3.72Å; F32-Y294 HydrophobicContact CE1-CE2 3.72Å; F32-Y294 HydrophobicContact CZ-CD2 4.32Å; F32-Y294 HydrophobicContact CZ-CE2 4.09Å
33A98.8Very high98.7Very high51 Ų5142.8 Ų42.842%0.42124%0.244SC..EExtended strand (participates in β ladder)trans-71.6-31.7-17800000112.8K180 R181 T183A33-K180 PolarHBondContact N-O 3.32Å; A33-R181 HydrophobicContact CB-CB 4.02Å; A33-R181 PolarHBondContact N-O 3.2Å; A33-T183 HydrophobicContact CB-CG2 3.81Å
34E98.8Very high98.8Very high97 Ų9744.6 Ų44.645%0.45325%0.253SS..EExtended strand (participates in β ladder)trans-128.8117.2179.9-63.7170.2-119.400109A179 K180E34-A179 CarbonylContact O-C 3.53Å; E34-A179 WeakPolarHBondContact O-CA 3.33Å; E34-K180 HydrophobicContact CB-CB 4.15Å; E34-K180 PolarHBondContact N-O 3.11Å; E34-K180 PolarHBondContact O-N 3.1Å
35V98.9Very high98.8Very high23 Ų2344.6 Ų44.614%0.13925%0.253CS..EExtended strand (participates in β ladder)trans-131.6135.6-178176.70000109.9Q25 L28 E29 F32 V37 R178Q25-V35 PolarHBondContact NE2-O 2.72Å; L28-V35 HydrophobicContact CB-CB 4.45Å; L28-V35 HydrophobicContact CB-CG1 3.66Å; L28-V35 HydrophobicContact CB-CG2 3.89Å; L28-V35 HydrophobicContact CD1-CG1 4.2Å; E29-V35 HydrophobicContact CG-CB 3.93Å; E29-V35 HydrophobicContact CG-CG1 4.41Å; E29-V35 HydrophobicContact CG-CG2 4.21Å; F32-V35 HydrophobicContact CB-CG2 3.58Å; V35-V37 HydrophobicContact CG1-CG2 4.04Å; V35-R178 CarbonylContact C-O 3.53Å; V35-R178 WeakPolarHBondContact CA-O 3.43Å
36Q98.9Very high98.7Very high110 Ų11045 Ų4551%0.51426%0.258SS..EExtended strand (participates in β ladder)trans-139.7118.3166.9-176.5-178.116.400109.6R178Q36-R178 HydrophobicContact CB-CB 4.26Å; Q36-R178 PolarHBondContact N-O 3.38Å; Q36-R178 PolarHBondContact O-N 3.01Å
37V98.9Very high98.7Very high5 Ų548.1 Ų48.13%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-114.1128.3173.5-173.20000108.8R21 L24 Q25 L28 V35 I175 E176 V177R21-V37 HydrophobicContact CB-CG1 4.42Å; R21-V37 HydrophobicContact CG-CB 4.39Å; R21-V37 HydrophobicContact CG-CG1 4.05Å; R21-V37 VanDerWaalsContact CG-O 3.23Å; R21-V37 WeakPolarHBondContact CG-O 3.4Å; L24-V37 HydrophobicContact CB-CG1 4.2Å; L24-V37 HydrophobicContact CB-CG2 4.3Å; Q25-V37 HydrophobicContact CB-CB 4.18Å; Q25-V37 HydrophobicContact CB-CG2 4.2Å; L28-V37 HydrophobicContact CD1-CG2 3.9Å; V35-V37 HydrophobicContact CG1-CG2 4.04Å; V37-I175 HydrophobicContact CG1-CG2 3.56Å; V37-E176 VanDerWaalsContact CA-O 3.29Å; V37-E176 WeakPolarHBondContact CA-O 3.47Å; V37-V177 HydrophobicContact CG1-CG2 4.29Å; V37-V177 HydrophobicContact CG2-CG2 4.31Å
38S98.8Very high98.7Very high23 Ų2353.6 Ų53.616%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-143.3157.8-178610000112V40 I175 E176S38-V40 WeakPolarHBondContact OG-CG1 3.37Å; S38-I175 CarbonylContact O-C 3.47Å; S38-I175 WeakPolarHBondContact O-CA 3.47Å; S38-E176 PolarHBondContact N-O 3.46Å; S38-E176 PolarHBondContact O-N 3.04Å
39V98.9Very high98.6Very high28 Ų2855.7 Ų55.717%0.1730%0.297CS..EExtended strand (participates in β ladder)trans-98.6114.5170.4-177.80000108.1L17 E18 R21 K173 V174L17-V39 HydrophobicContact CB-CG1 4.04Å; L17-V39 HydrophobicContact CB-CG2 3.75Å; L17-V39 HydrophobicContact CD1-CG1 4.03Å; E18-V39 HydrophobicContact CG-CG2 4.36Å; E18-V39 WeakPolarHBondContact OE1-CB 3.38Å; E18-V39 WeakPolarHBondContact OE1-CG2 3.36Å; R21-V39 HydrophobicContact CB-CG2 4.11Å; V39-K173 HydrophobicContact CG1-CB 3.96Å; V39-K173 HydrophobicContact CG1-CD 4.23Å; V39-K173 HydrophobicContact CG1-CG 4.3Å; V39-V174 WeakPolarHBondContact CA-O 3.47Å
40V98.8Very high98.6Very high37 Ų3750.9 Ų50.922%0.22427%0.274CS..EExtended strand (participates in β ladder)trans-126.9163.5-172.8-600000110.9S38 C42 K173 V174 E176 Y297S38-V40 WeakPolarHBondContact OG-CG1 3.37Å; V40-C42 PolarHBondContact O-N 3.48Å; V40-K173 CarbonylContact O-C 3.51Å; V40-K173 VanDerWaalsContact O-CA 3.23Å; V40-K173 WeakPolarHBondContact O-CA 3.41Å; V40-K173 WeakPolarHBondContact O-CD 3.44Å; V40-V174 HydrophobicContact CG2-CG2 4.03Å; V40-V174 PolarHBondContact N-O 3.38Å; V40-V174 PolarHBondContact O-N 2.94Å; V40-E176 HydrophobicContact CG1-CB 4.27Å; V40-E176 HydrophobicContact CG2-CB 3.65Å; V40-Y297 HydrophobicContact CG2-CE1 4.22Å
41E98.8Very high98.6Very high111 Ų11149.5 Ų49.552%0.51926%0.263SS..EExtended strand (participates in β ladder)trans-63.5131161.1-66.4-55.8142.100108.8K173E41-K173 VanDerWaalsContact OE1-CD 3.23Å; E41-K173 WeakPolarHBondContact OE1-CD 3.28Å; E41-K173 WeakPolarHBondContact OE1-CE 3.44Å; E41-K173 IonicContact OE1-NZ 2.66Å; E41-K173 PolarHBondContact OE1-NZ 2.92Å
42C98.8Very high98.6Very high14 Ų1449.1 Ų49.110%0.09526%0.261CS..PPolyproline II helixtrans-54.1127.9173.8-171.40000108.9V40 G56 G172 V174V40-C42 PolarHBondContact O-N 3.48Å; C42-G56 VanDerWaalsContact SG-CA 3.58Å; C42-G172 VanDerWaalsContact CB-O 3.26Å; C42-G172 WeakPolarHBondContact CB-O 3.13Å; C42-G172 PolarHBondContact N-O 3.45Å; C42-V174 HydrophobicContact CB-CG1 3.78Å; C42-V174 HydrophobicContact CB-CG2 3.94Å
43P98.6Very high98.5Very high42 Ų4250.8 Ų50.827%0.27327%0.272SS..PPolyproline II helixtrans-61.9156.817229.4-36.1000109.6L45 K55 Y297P43-L45 HydrophobicContact CG-CD2 3.98Å; P43-L45 PolarHBondContact O-N 2.73Å; P43-K55 VanDerWaalsContact O-O 3.06Å; P43-Y297 HydrophobicContact CG-CD1 4.38Å; P43-Y297 HydrophobicContact CG-CD2 4.01Å; P43-Y297 HydrophobicContact CG-CE1 3.94Å; P43-Y297 HydrophobicContact CG-CE2 3.54Å; P43-Y297 HydrophobicContact CG-CG 4.41Å
44D98.8Very high98.5Very high58 Ų5849 Ų4931%0.3126%0.256SS..  trans-66.299.8174.6-175.8-6.8000109.8T46 K47 K55D44-T46 VanDerWaalsContact CG-OG1 3.22Å; D44-T46 PolarHBondContact O-N 3.18Å; D44-T46 VanDerWaalsContact O-N 3.12Å; D44-T46 WeakPolarHBondContact OD1-CB 3.32Å; D44-T46 WeakPolarHBondContact OD1-CG2 3.23Å; D44-T46 PolarHBondContact OD1-N 3.07Å; D44-T46 PolarHBondContact OD1-OG1 2.78Å; D44-T46 PolarHBondContact OD2-OG1 2.79Å; D44-K47 HydrophobicContact CB-CG 3.99Å; D44-K47 WeakPolarHBondContact O-CB 3.39Å; D44-K47 PolarHBondContact O-N 3.26Å; D44-K47 WeakPolarHBondContact OD2-CE 3.24Å; D44-K55 WeakPolarHBondContact CA-O 3.37Å
45L98.8Very high98.5Very high0 Ų050.1 Ų50.10%026%0.259CS..THydrogen-bonded Turntrans-69.3-7.5-176.4-60.1-175000113.4P43 K47 F50 L51 F52 V54 K55 L57P43-L45 HydrophobicContact CG-CD2 3.98Å; P43-L45 PolarHBondContact O-N 2.73Å; L45-K47 PolarHBondContact O-N 2.94Å; L45-F50 HydrophobicContact CB-CB 4.47Å; L45-F50 HydrophobicContact CD2-CB 4.46Å; L45-F50 HydrophobicContact CD2-CD2 3.47Å; L45-F50 VanDerWaalsContact CD2-CD2 3.47Å; L45-F50 HydrophobicContact CD2-CE2 3.76Å; L45-F50 HydrophobicContact CD2-CG 3.94Å; L45-F50 HydrophobicContact CD2-CZ 4.46Å; L45-F50 WeakPolarHBondContact O-CB 3.39Å; L45-L51 PolarHBondContact O-N 3.14Å; L45-F52 HydrophobicContact CB-CB 4.08Å; L45-F52 HydrophobicContact CB-CD2 3.91Å; L45-F52 HydrophobicContact CB-CG 4.22Å; L45-F52 HydrophobicContact CD1-CD2 3.77Å; L45-F52 HydrophobicContact CD1-CE2 4.07Å; L45-F52 HydrophobicContact CG-CD2 4.42Å; L45-F52 PolarHBondContact O-N 3.31Å; L45-V54 CarbonylContact C-O 3.55Å; L45-K55 PolarHBondContact N-O 2.75Å; L45-L57 HydrophobicContact CD1-CD1 4.29Å; L45-L57 HydrophobicContact CD1-CD2 3.78Å; L45-L57 HydrophobicContact CD1-CG 3.64Å
46T98.7Very high98.5Very high44 Ų4449 Ų4927%0.2725%0.252SS..THydrogen-bonded Turntrans-73.6-9.2169.971.30000112.8D44 L51 V54 K55D44-T46 VanDerWaalsContact CG-OG1 3.22Å; D44-T46 PolarHBondContact O-N 3.18Å; D44-T46 VanDerWaalsContact O-N 3.12Å; D44-T46 WeakPolarHBondContact OD1-CB 3.32Å; D44-T46 WeakPolarHBondContact OD1-CG2 3.23Å; D44-T46 PolarHBondContact OD1-N 3.07Å; D44-T46 PolarHBondContact OD1-OG1 2.78Å; D44-T46 PolarHBondContact OD2-OG1 2.79Å; T46-L51 WeakPolarHBondContact O-CD2 3.4Å; T46-V54 WeakPolarHBondContact CG2-O 3.46Å; T46-V54 PolarHBondContact N-O 2.93Å; T46-K55 HydrophobicContact CG2-CG 3.98Å
47K98.6Very high98.5Very high124 Ų12443.8 Ų43.854%0.53923%0.228SC..SBendtrans-97.1165.3179.7-52.5-56.2177.4-172.60111.8D44 L45 F50 L51D44-K47 HydrophobicContact CB-CG 3.99Å; D44-K47 WeakPolarHBondContact O-CB 3.39Å; D44-K47 PolarHBondContact O-N 3.26Å; D44-K47 WeakPolarHBondContact OD2-CE 3.24Å; L45-K47 PolarHBondContact O-N 2.94Å; K47-F50 PolarHBondContact O-N 2.86Å; K47-L51 PolarHBondContact O-N 2.97Å
48E97.5Very high98.5Very high127 Ų12744.2 Ų44.259%0.59323%0.231SC*.THydrogen-bonded Turntrans-55.9142.6170.5-71.1-71.3-176.600110.5L51E48-L51 HydrophobicContact CG-CD2 4.17Å
49P96.9Very high98.4Very high44 Ų4444 Ų4429%0.28623%0.232SC..THydrogen-bonded Turncis-83.1-12.33.532.7-35.1000114.7I212 I252 R276P49-I212 HydrophobicContact CB-CD1 3.76Å; P49-I212 HydrophobicContact CG-CD1 3.61Å; P49-I252 HydrophobicContact CB-CD1 4.42Å; P49-I252 WeakPolarHBondContact O-CD1 3.45Å; P49-R276 PolarHBondContact O-NH2 3.02Å
50F98.4Very high98.4Very high9 Ų948 Ų484%0.03925%0.247CC..THydrogen-bonded Turntrans-76-49.5-164.2-58.5-70.4000113.6L45 K47 F52 T210 I252 R276 Y297L45-F50 HydrophobicContact CB-CB 4.47Å; L45-F50 HydrophobicContact CD2-CB 4.46Å; L45-F50 HydrophobicContact CD2-CD2 3.47Å; L45-F50 VanDerWaalsContact CD2-CD2 3.47Å; L45-F50 HydrophobicContact CD2-CE2 3.76Å; L45-F50 HydrophobicContact CD2-CG 3.94Å; L45-F50 HydrophobicContact CD2-CZ 4.46Å; L45-F50 WeakPolarHBondContact O-CB 3.39Å; K47-F50 PolarHBondContact O-N 2.86Å; F50-F52 VanDerWaalsContact C-N 3.25Å; F50-F52 HydrophobicContact CB-CD1 3.8Å; F50-F52 HydrophobicContact CB-CE1 3.84Å; F50-F52 HydrophobicContact CB-CG 4.16Å; F50-F52 HydrophobicContact CB-CZ 4.26Å; F50-F52 HydrophobicContact CD1-CE1 4.25Å; F50-F52 HydrophobicContact CD1-CZ 4.05Å; F50-F52 VanDerWaalsContact O-CD1 3.31Å; F50-F52 WeakPolarHBondContact O-CD1 3.44Å; F50-F52 PolarHBondContact O-N 2.84Å; F50-T210 HydrophobicContact CD1-CG2 4.11Å; F50-T210 HydrophobicContact CE1-CG2 3.83Å; F50-T210 HydrophobicContact CZ-CG2 4.43Å; F50-I252 HydrophobicContact CD1-CG2 3.91Å; F50-I252 HydrophobicContact CE1-CG2 4.33Å; F50-R276 PolarHBondContact O-NH2 3.38Å; F50-Y297 HydrophobicContact CE2-CD2 4.26Å; F50-Y297 AromaticContact CE2-CE2 3.98Å; F50-Y297 HydrophobicContact CE2-CE2 3.98Å; F50-Y297 AromaticContact CZ-CD2 3.94Å; F50-Y297 HydrophobicContact CZ-CD2 3.94Å; F50-Y297 AromaticContact CZ-CE2 3.88Å; F50-Y297 HydrophobicContact CZ-CE2 3.88Å
51L98Very high98.4Very high77 Ų7746.9 Ų46.940%0.40324%0.241SC..  trans49.742.7-174.9-52.1179.3000113.5L45 T46 K47 E48L45-L51 PolarHBondContact O-N 3.14Å; T46-L51 WeakPolarHBondContact O-CD2 3.4Å; K47-L51 PolarHBondContact O-N 2.97Å; E48-L51 HydrophobicContact CG-CD2 4.17Å
52F98.6Very high98.4Very high5 Ų542.1 Ų42.12%0.02222%0.218CC..  trans-72.3158.6176.9-70.33.2000111.3L45 F50 V54 F97 L99 L118 T210 I252 F274L45-F52 HydrophobicContact CB-CB 4.08Å; L45-F52 HydrophobicContact CB-CD2 3.91Å; L45-F52 HydrophobicContact CB-CG 4.22Å; L45-F52 HydrophobicContact CD1-CD2 3.77Å; L45-F52 HydrophobicContact CD1-CE2 4.07Å; L45-F52 HydrophobicContact CG-CD2 4.42Å; L45-F52 PolarHBondContact O-N 3.31Å; F50-F52 VanDerWaalsContact C-N 3.25Å; F50-F52 HydrophobicContact CB-CD1 3.8Å; F50-F52 HydrophobicContact CB-CE1 3.84Å; F50-F52 HydrophobicContact CB-CG 4.16Å; F50-F52 HydrophobicContact CB-CZ 4.26Å; F50-F52 HydrophobicContact CD1-CE1 4.25Å; F50-F52 HydrophobicContact CD1-CZ 4.05Å; F50-F52 VanDerWaalsContact O-CD1 3.31Å; F50-F52 WeakPolarHBondContact O-CD1 3.44Å; F50-F52 PolarHBondContact O-N 2.84Å; F52-V54 PolarHBondContact O-N 3.4Å; F52-V54 VanDerWaalsContact O-N 3.14Å; F52-F97 HydrophobicContact CB-CZ 4.35Å; F52-F97 HydrophobicContact CD2-CE1 4.15Å; F52-F97 AromaticContact CD2-CZ 3.73Å; F52-F97 HydrophobicContact CD2-CZ 3.73Å; F52-F97 HydrophobicContact CE2-CZ 4.31Å; F52-F97 HydrophobicContact CG-CZ 4.21Å; F52-L99 HydrophobicContact CE2-CD2 4.21Å; F52-L118 HydrophobicContact CD1-CD1 4.19Å; F52-L118 HydrophobicContact CD1-CD2 3.62Å; F52-L118 HydrophobicContact CD2-CD2 4.24Å; F52-L118 HydrophobicContact CE1-CD1 4.15Å; F52-L118 HydrophobicContact CE1-CD2 3.57Å; F52-L118 HydrophobicContact CE2-CD2 4.18Å; F52-L118 HydrophobicContact CG-CD2 3.99Å; F52-L118 HydrophobicContact CZ-CD2 3.86Å; F52-T210 HydrophobicContact CE2-CG2 3.75Å; F52-T210 HydrophobicContact CZ-CG2 3.99Å; F52-I252 HydrophobicContact CE1-CG2 4.35Å; F52-I252 HydrophobicContact CZ-CG2 4.45Å; F52-F274 HydrophobicContact CE1-CE1 4.44Å; F52-F274 HydrophobicContact CE1-CZ 4.04Å
53P98.3Very high98.4Very high38 Ų3841.7 Ų41.725%0.24722%0.215CC..SBendtrans-72.2-0.4176.630.8-36.7000113.8F97 L120 V129P53-F97 HydrophobicContact CG-CD2 4.05Å; P53-F97 HydrophobicContact CG-CE2 3.76Å; P53-L120 HydrophobicContact CB-CB 4.16Å; P53-L120 HydrophobicContact CB-CD2 4.42Å; P53-L120 HydrophobicContact CG-CB 4.1Å; P53-V129 HydrophobicContact CB-CB 4.28Å; P53-V129 HydrophobicContact CB-CG1 3.88Å
54V98.6Very high98.3Very high13 Ų1339.7 Ų39.78%0.07920%0.202CC..SBendtrans-137.5162.3-178.2-620000111.7L45 T46 F52 G56 F97 L120L45-V54 CarbonylContact C-O 3.55Å; T46-V54 WeakPolarHBondContact CG2-O 3.46Å; T46-V54 PolarHBondContact N-O 2.93Å; F52-V54 PolarHBondContact O-N 3.4Å; F52-V54 VanDerWaalsContact O-N 3.14Å; V54-G56 WeakPolarHBondContact CG2-O 3.33Å; V54-F97 HydrophobicContact CB-CG 4.39Å; V54-F97 HydrophobicContact CG1-CB 4.02Å; V54-F97 HydrophobicContact CG1-CD2 4.12Å; V54-F97 HydrophobicContact CG1-CG 4.06Å; V54-F97 HydrophobicContact CG2-CB 4.11Å; V54-F97 HydrophobicContact CG2-CD1 3.37Å; V54-F97 HydrophobicContact CG2-CD2 3.75Å; V54-F97 HydrophobicContact CG2-CE1 3.57Å; V54-F97 HydrophobicContact CG2-CE2 3.97Å; V54-F97 HydrophobicContact CG2-CG 3.45Å; V54-F97 VanDerWaalsContact CG2-CG 3.45Å; V54-F97 HydrophobicContact CG2-CZ 3.88Å; V54-L120 HydrophobicContact CG1-CB 4.47Å; V54-L120 HydrophobicContact CG1-CD1 3.59Å; V54-L120 HydrophobicContact CG1-CD2 3.72Å; V54-L120 HydrophobicContact CG1-CG 4.13Å
55K98.6Very high98.3Very high120 Ų12037.2 Ų37.252%0.52219%0.188SC..SBendtrans-81.1-21.1-175.6-67-170.5174.2-174.30114.4P43 D44 L45 T46 P171P43-K55 VanDerWaalsContact O-O 3.06Å; D44-K55 WeakPolarHBondContact CA-O 3.37Å; L45-K55 PolarHBondContact N-O 2.75Å; T46-K55 HydrophobicContact CG2-CG 3.98Å; K55-P171 HydrophobicContact CB-CG 4.05Å; K55-P171 HydrophobicContact CD-CG 4.48Å
56G98.6Very high98.3Very high0 Ų037.2 Ų37.20%019%0.188CC..  trans-162-172.1-176.200000114.1C42 V54 G169 K170C42-G56 VanDerWaalsContact SG-CA 3.58Å; V54-G56 WeakPolarHBondContact CG2-O 3.33Å; G56-G169 PolarHBondContact N-O 3.08Å; G56-G169 CarbonylContact O-C 3.51Å; G56-G169 VanDerWaalsContact O-C 3.32Å; G56-G169 VanDerWaalsContact O-CA 3.26Å; G56-G169 WeakPolarHBondContact O-CA 3.35Å; G56-K170 CarbonylContact C-O 3.55Å; G56-K170 WeakPolarHBondContact CA-O 3.17Å
57L98.6Very high98.3Very high0 Ų035.1 Ų35.10%018%0.176CC..SBendtrans-1082.2-176.5-61.7172.8000113.3L45 F97 L99 Y165 C167 K170 T210 Y297 L299L45-L57 HydrophobicContact CD1-CD1 4.29Å; L45-L57 HydrophobicContact CD1-CD2 3.78Å; L45-L57 HydrophobicContact CD1-CG 3.64Å; L57-F97 HydrophobicContact CD2-CE1 4Å; L57-L99 HydrophobicContact CD2-CD2 3.69Å; L57-Y165 HydrophobicContact CB-CE1 4.33Å; L57-Y165 HydrophobicContact CD2-CE1 4.36Å; L57-Y165 PolarHBondContact O-OH 3.39Å; L57-C167 VanDerWaalsContact O-CB 3.29Å; L57-C167 WeakPolarHBondContact O-CB 3.36Å; L57-C167 PolarHBondContact O-SG 2.94Å; L57-K170 PolarHBondContact N-O 3.43Å; L57-T210 HydrophobicContact CD1-CG2 4.26Å; L57-Y297 WeakPolarHBondContact CD1-O 3.27Å; L57-L299 HydrophobicContact CB-CD1 4.13Å; L57-L299 VanDerWaalsContact O-CD1 3.28Å; L57-L299 WeakPolarHBondContact O-CD1 3.1Å
58C98.7Very high98.2Very high14 Ų1429.6 Ų29.610%0.09515%0.154CC..BIsolated β-bridgetrans-88.9165.3-168.2-53.80000112.9E168 G169 K170 G172 L299C58-E168 PolarHBondContact O-N 3.14Å; C58-G169 PolarHBondContact O-N 2.79Å; C58-K170 HydrophobicContact CB-CB 4.41Å; C58-K170 VanDerWaalsContact CB-O 3.24Å; C58-K170 WeakPolarHBondContact CB-O 3.33Å; C58-K170 PolarHBondContact N-O 2.91Å; C58-K170 PolarHBondContact O-N 3.07Å; C58-G172 VanDerWaalsContact SG-C 3.55Å; C58-L299 HydrophobicContact CB-CD1 4.38Å
59G97.9Very high98.3Very high18 Ų1824 Ų2419%0.18613%0.129CC..SBendtrans98.1107.4175.900000112.3C167 E168G59-C167 CarbonylContact O-C 3.58Å; G59-C167 WeakPolarHBondContact O-CA 3.41Å; G59-C167 WeakPolarHBondContact O-CB 3.41Å; G59-E168 WeakPolarHBondContact CA-OE2 3.12Å; G59-E168 PolarHBondContact O-N 3.31Å
60K98.3Very high98.3Very high113 Ų11322.3 Ų22.349%0.49112%0.118SC..SBendtrans45.654.2175.5-51-175.7171.9177.90115.4R62 L93K60-R62 PolarHBondContact O-NE 3.31Å; K60-R62 PolarHBondContact O-NH2 3.21Å; K60-R62 VanDerWaalsContact O-NH2 3.13Å; K60-L93 HydrophobicContact CB-CD1 4.38Å; K60-L93 HydrophobicContact CD-CD1 4.22Å
61P98.4Very high98.3Very high14 Ų1422.5 Ų22.59%0.09112%0.118CC..  trans-61.7134.7-172.829.8-37.3000112.3Y165 P300 E302P61-Y165 HydrophobicContact CB-CE2 3.73Å; P61-Y165 WeakPolarHBondContact CB-OH 3.32Å; P61-P300 WeakPolarHBondContact CG-O 3.21Å; P61-E302 HydrophobicContact CG-CG 4.21Å; P61-E302 PolarHBondContact O-N 3.21Å
62R98.6Very high98.3Very high11 Ų1119.9 Ų19.94%0.04210%0.104CC..EExtended strand (participates in β ladder)trans-146.9154.8175.262.2-154.664.4-171.6-2.7110.1K60 L91 E92 A166 F303 Y305K60-R62 PolarHBondContact O-NE 3.31Å; K60-R62 PolarHBondContact O-NH2 3.21Å; K60-R62 VanDerWaalsContact O-NH2 3.13Å; R62-L91 WeakPolarHBondContact CD-O 3.37Å; R62-L91 PolarHBondContact NH1-O 2.91Å; R62-E92 PolarHBondContact NH1-O 3.21Å; R62-A166 HydrophobicContact CG-CB 3.95Å; R62-A166 PolarHBondContact N-O 2.97Å; R62-A166 PolarHBondContact O-N 2.88Å; R62-F303 WeakPolarHBondContact CA-O 3.11Å; R62-F303 HydrophobicContact CB-CB 4.24Å; R62-Y305 HydrophobicContact CB-CD2 4.32Å; R62-Y305 HydrophobicContact CB-CE2 4.11Å; R62-Y305 HydrophobicContact CG-CD2 4.48Å; R62-Y305 HydrophobicContact CG-CE2 4.3Å
63I98.6Very high98.3Very high4 Ų419.8 Ų19.82%0.02110%0.104CC..EExtended strand (participates in β ladder)trans-109.3157.8169.657.1153.1000110.3L12 L164 Y165 A206 V256 V258 A301 F303 V304 Y305L12-I63 HydrophobicContact CD1-CD1 4.43Å; L12-I63 HydrophobicContact CD1-CG1 4.16Å; I63-L164 CarbonylContact C-O 3.52Å; I63-L164 WeakPolarHBondContact CA-O 3.29Å; I63-Y165 HydrophobicContact CG2-CD2 4.24Å; I63-A206 HydrophobicContact CD1-CB 3.45Å; I63-A206 VanDerWaalsContact CD1-CB 3.45Å; I63-A206 HydrophobicContact CG1-CB 3.93Å; I63-A206 HydrophobicContact CG2-CB 4.34Å; I63-V256 HydrophobicContact CB-CG1 4.08Å; I63-V256 HydrophobicContact CD1-CG1 4.38Å; I63-V256 HydrophobicContact CG2-CG1 3.75Å; I63-V258 HydrophobicContact CD1-CG2 3.39Å; I63-A301 HydrophobicContact CB-CB 4.48Å; I63-A301 HydrophobicContact CG1-CB 4.23Å; I63-A301 HydrophobicContact CG2-CB 3.87Å; I63-F303 PolarHBondContact N-O 3.26Å; I63-V304 HydrophobicContact CD1-CB 3.94Å; I63-V304 HydrophobicContact CD1-CG2 3.74Å; I63-V304 HydrophobicContact CG1-CB 3.8Å; I63-V304 HydrophobicContact CG1-CG2 3.89Å; I63-V304 WeakPolarHBondContact O-CA 3.34Å; I63-Y305 PolarHBondContact O-N 2.98Å
64T97.8Very high98.2Very high0 Ų020.6 Ų20.60%011%0.109CC..EExtended strand (participates in β ladder)trans-138.2143.9170.6-176.40000111.6V66 I87 L91 N163 L164 Y305T64-V66 HydrophobicContact CG2-CG2 4.17Å; T64-I87 HydrophobicContact CG2-CG2 4.21Å; T64-L91 HydrophobicContact CG2-CD1 4Å; T64-L91 HydrophobicContact CG2-CD2 4.03Å; T64-N163 WeakPolarHBondContact O-CA 3.25Å; T64-L164 HydrophobicContact CG2-CB 3.63Å; T64-L164 HydrophobicContact CG2-CD1 3.98Å; T64-L164 HydrophobicContact CG2-CG 4.18Å; T64-L164 PolarHBondContact N-O 2.69Å; T64-L164 PolarHBondContact O-N 2.93Å; T64-Y305 CarbonylContact C-O 3.52Å; T64-Y305 WeakPolarHBondContact CA-O 3.47Å; T64-Y305 PolarHBondContact OG1-O 3.41Å; T64-Y305 VanDerWaalsContact OG1-O 3.1Å
65D98.2Very high98.2Very high6 Ų623.9 Ų23.93%0.03213%0.126CC..EExtended strand (participates in β ladder)trans-119.8106.5172.8-169.8-35.2000107.6N163 L266 R267 Y305 R306 I307D65-N163 PolarHBondContact OD2-ND2 2.89Å; D65-L266 HydrophobicContact CB-CD2 3.74Å; D65-L266 WeakPolarHBondContact OD2-CA 3.38Å; D65-R267 PolarHBondContact OD2-N 3.19Å; D65-Y305 PolarHBondContact N-O 2.83Å; D65-R306 WeakPolarHBondContact O-CA 3.41Å; D65-R306 WeakPolarHBondContact O-CD 3.47Å; D65-R306 PolarHBondContact O-NH1 3.11Å; D65-R306 IonicContact OD1-CZ 3.62Å; D65-R306 IonicContact OD1-NH1 3.26Å; D65-R306 PolarHBondContact OD1-NH1 3.12Å; D65-R306 IonicContact OD1-NH2 3.73Å; D65-I307 PolarHBondContact O-N 3.36Å
66V98.6Very high98.1Very high0 Ų020 Ų200%011%0.113CC..EExtended strand (participates in β ladder)trans-107128.8-175.2-1710000109T64 Y82 I87 F158 L161 A162 I307T64-V66 HydrophobicContact CG2-CG2 4.17Å; V66-Y82 HydrophobicContact CG1-CD1 3.65Å; V66-Y82 HydrophobicContact CG1-CD2 3.91Å; V66-Y82 HydrophobicContact CG1-CE1 3.8Å; V66-Y82 HydrophobicContact CG1-CE2 4.04Å; V66-Y82 HydrophobicContact CG1-CG 3.7Å; V66-I87 HydrophobicContact CG1-CD1 4.11Å; V66-I87 HydrophobicContact CG2-CD1 4.03Å; V66-F158 HydrophobicContact CB-CE2 3.92Å; V66-F158 HydrophobicContact CB-CZ 3.82Å; V66-F158 HydrophobicContact CG1-CE2 3.89Å; V66-F158 HydrophobicContact CG1-CZ 3.76Å; V66-F158 HydrophobicContact CG2-CZ 4.01Å; V66-L161 CarbonylContact O-C 3.33Å; V66-L161 VanDerWaalsContact O-CA 3.22Å; V66-L161 WeakPolarHBondContact O-CA 3.44Å; V66-A162 PolarHBondContact N-O 2.92Å; V66-A162 PolarHBondContact O-N 3.1Å; V66-I307 WeakPolarHBondContact CA-O 3.46Å; V66-I307 HydrophobicContact CB-CB 4.44Å; V66-I307 HydrophobicContact CG1-CB 4.13Å; V66-I307 HydrophobicContact CG1-CG2 4.09Å; V66-I307 HydrophobicContact CG2-CB 4.13Å; V66-I307 HydrophobicContact CG2-CD1 4.2Å
67G98.2Very high98.1Very high0 Ų023.1 Ų23.10%013%0.128CC..EExtended strand (participates in β ladder)trans64.4-134.1-179.700000111.6L160 R306 I307 P310G67-L160 WeakPolarHBondContact CA-O 3.25Å; G67-R306 PolarHBondContact O-NH1 3.34Å; G67-R306 PolarHBondContact O-NH2 3.21Å; G67-I307 PolarHBondContact N-O 3.39Å; G67-P310 WeakPolarHBondContact O-CD 3.46Å
68G97.9Very high98Very high8 Ų825.9 Ų25.98%0.08214%0.144CC..  trans161.3172.8172.300000113.6Y71 L160G68-Y71 WeakPolarHBondContact O-CB 3.34Å; G68-Y71 PolarHBondContact O-N 3.39Å; G68-L160 PolarHBondContact N-O 3.1Å; G68-L160 VanDerWaalsContact N-O 3.1Å
69V98.1Very high97.9Very high11 Ų1131.2 Ų31.27%0.06717%0.167CC..G310 helixtrans-51.8-35174.6179.50000112.9Y71 L72 I73 L161 V316 G317 R318V69-Y71 PolarHBondContact O-N 2.89Å; V69-Y71 VanDerWaalsContact O-N 3.08Å; V69-L72 WeakPolarHBondContact O-CA 3.18Å; V69-L72 WeakPolarHBondContact O-CB 3.32Å; V69-L72 PolarHBondContact O-N 2.91Å; V69-I73 HydrophobicContact CG1-CD1 3.62Å; V69-I73 HydrophobicContact CG1-CG1 3.52Å; V69-I73 WeakPolarHBondContact O-CG1 3.41Å; V69-I73 PolarHBondContact O-N 2.87Å; V69-L161 HydrophobicContact CB-CD2 4.45Å; V69-L161 HydrophobicContact CG2-CD2 3.99Å; V69-V316 WeakPolarHBondContact CG1-O 3.3Å; V69-G317 WeakPolarHBondContact CG1-O 3Å; V69-R318 HydrophobicContact CG2-CG 4.4Å
70P98.3Very high97.9Very high8 Ų832 Ų325%0.05217%0.166CC..G310 helixtrans-62.7-11.6173.6-24.434.5000116.2I73 P310 D312 T313P70-I73 CarbonylContact C-O 3.6Å; P70-I73 WeakPolarHBondContact CA-O 3.29Å; P70-I73 VanDerWaalsContact O-O 3.11Å; P70-P310 HydrophobicContact CB-CB 3.77Å; P70-P310 HydrophobicContact CB-CG 3.9Å; P70-P310 HydrophobicContact CG-CB 4.13Å; P70-P310 HydrophobicContact CG-CG 4.02Å; P70-D312 WeakPolarHBondContact CB-O 3.32Å; P70-T313 WeakPolarHBondContact CG-OG1 3.48Å
71Y98.4Very high97.8Very high13 Ų1329.6 Ų29.65%0.05116%0.157CC..G310 helixtrans-90.1-15.2168.9-65.9-20.1000112.7G68 V69 Q77 K80 Y82 L160 D308 P310G68-Y71 WeakPolarHBondContact O-CB 3.34Å; G68-Y71 PolarHBondContact O-N 3.39Å; V69-Y71 PolarHBondContact O-N 2.89Å; V69-Y71 VanDerWaalsContact O-N 3.08Å; Y71-Q77 PolarHBondContact O-N 2.78Å; Y71-K80 HydrophobicContact CD1-CG 4.4Å; Y71-K80 HydrophobicContact CD2-CB 4.12Å; Y71-K80 HydrophobicContact CD2-CD 4.01Å; Y71-K80 HydrophobicContact CD2-CG 3.74Å; Y71-K80 HydrophobicContact CE2-CD 3.83Å; Y71-K80 HydrophobicContact CE2-CG 4.1Å; Y71-K80 HydrophobicContact CG-CG 3.92Å; Y71-K80 VanDerWaalsContact CZ-NZ 3.34Å; Y71-K80 PolarHBondContact OH-NZ 3.06Å; Y71-Y82 WeakPolarHBondContact CE2-OH 3.49Å; Y71-L160 WeakPolarHBondContact CD2-O 3.33Å; Y71-D308 VanDerWaalsContact CE2-O 3.26Å; Y71-D308 WeakPolarHBondContact CE2-O 3.34Å; Y71-D308 WeakPolarHBondContact CE2-OD2 3.22Å; Y71-D308 PolarHBondContact OH-O 2.66Å; Y71-D308 VanDerWaalsContact OH-O 3.06Å; Y71-D308 PolarHBondContact OH-OD1 3.45Å; Y71-D308 VanDerWaalsContact OH-OD1 3.08Å; Y71-P310 HydrophobicContact CD1-CB 4.27Å; Y71-P310 HydrophobicContact CD1-CG 4.07Å; Y71-P310 HydrophobicContact CD2-CG 4.42Å; Y71-P310 HydrophobicContact CE1-CB 3.78Å; Y71-P310 HydrophobicContact CE1-CG 3.83Å; Y71-P310 HydrophobicContact CE2-CG 4.17Å; Y71-P310 HydrophobicContact CG-CG 4.37Å
72L98.1Very high97.8Very high21 Ų2130.2 Ų30.211%0.1116%0.157CC..THydrogen-bonded Turntrans-90.5-43174.1173.863.7000111.9V69 L75 P76 L160 L161 M223 F227 W241V69-L72 WeakPolarHBondContact O-CA 3.18Å; V69-L72 WeakPolarHBondContact O-CB 3.32Å; V69-L72 PolarHBondContact O-N 2.91Å; L72-L75 CarbonylContact O-C 3.58Å; L72-P76 VanDerWaalsContact O-CA 3.3Å; L72-P76 WeakPolarHBondContact O-CA 3.24Å; L72-L160 HydrophobicContact CB-CD1 4.08Å; L72-L160 HydrophobicContact CD1-CD1 3.55Å; L72-L160 HydrophobicContact CG-CD1 4.39Å; L72-L161 HydrophobicContact CB-CD2 4.33Å; L72-M223 HydrophobicContact CD1-SD 3.95Å; L72-M223 HydrophobicContact CD2-SD 3.64Å; L72-M223 HydrophobicContact CG-SD 4.46Å; L72-F227 HydrophobicContact CD1-CD1 3.81Å; L72-F227 HydrophobicContact CD1-CE1 3.64Å; L72-W241 HydrophobicContact CD1-CH2 4.39Å
73I97.4Very high97.8Very high4 Ų431.6 Ų31.62%0.02117%0.165CC..SBendtrans-129.5156.4-177.152.9165.8000110.9V69 P70 L232 V238 H314 V316V69-I73 HydrophobicContact CG1-CD1 3.62Å; V69-I73 HydrophobicContact CG1-CG1 3.52Å; V69-I73 WeakPolarHBondContact O-CG1 3.41Å; V69-I73 PolarHBondContact O-N 2.87Å; P70-I73 CarbonylContact C-O 3.6Å; P70-I73 WeakPolarHBondContact CA-O 3.29Å; P70-I73 VanDerWaalsContact O-O 3.11Å; I73-L232 HydrophobicContact CG2-CB 4.01Å; I73-L232 HydrophobicContact CG2-CD1 3.96Å; I73-L232 HydrophobicContact CG2-CG 4.48Å; I73-V238 HydrophobicContact CD1-CG2 3.69Å; I73-V238 HydrophobicContact CG2-CG2 4.42Å; I73-H314 PolarHBondContact O-NE2 2.9Å; I73-H314 VanDerWaalsContact O-NE2 3.16Å; I73-V316 HydrophobicContact CD1-CB 4.23Å; I73-V316 HydrophobicContact CD1-CG1 3.84Å
74P97.1Very high97.8Very high55 Ų5531.4 Ų31.436%0.35716%0.164SC..SBendcis-70.3-22.8328.9-35.9000114.4P231 L232P74-P231 HydrophobicContact CB-CB 4.04Å; P74-P231 VanDerWaalsContact O-CA 3.32Å; P74-P231 WeakPolarHBondContact O-CA 3.27Å; P74-L232 WeakPolarHBondContact CA-O 3.25Å; P74-L232 WeakPolarHBondContact CB-O 3.3Å; P74-L232 PolarHBondContact O-N 3.38Å
75L97.8Very high97.9Very high82 Ų8232.2 Ų32.243%0.42917%0.169SC..SBendtrans-130.7144.3171.2-72.6174.3000110.2L72 P231L72-L75 CarbonylContact O-C 3.58Å; L75-P231 HydrophobicContact CD1-CG 4.23Å; L75-P231 HydrophobicContact CD2-CG 4.4Å; L75-P231 HydrophobicContact CG-CG 4.19Å
76P97.5Very high97.9Very high37 Ų3735.4 Ų35.424%0.2419%0.188CC..  trans-72.5132.1-173.232.9-41.3000112.2L72 T78 F227L72-P76 VanDerWaalsContact O-CA 3.3Å; L72-P76 WeakPolarHBondContact O-CA 3.24Å; P76-T78 HydrophobicContact CB-CG2 4.06Å; P76-T78 HydrophobicContact CG-CG2 4.44Å; P76-T78 PolarHBondContact O-N 3.37Å; P76-F227 HydrophobicContact CB-CB 4.16Å; P76-F227 HydrophobicContact CB-CD1 3.83Å; P76-F227 HydrophobicContact CB-CD2 4.22Å; P76-F227 HydrophobicContact CB-CE1 4.25Å; P76-F227 HydrophobicContact CB-CG 3.81Å; P76-F227 HydrophobicContact CG-CB 3.61Å; P76-F227 HydrophobicContact CG-CD1 4.25Å; P76-F227 HydrophobicContact CG-CD2 4.21Å; P76-F227 HydrophobicContact CG-CG 3.78Å
77Q97.7Very high97.8Very high67 Ų6735.5 Ų35.531%0.31319%0.189SC..  trans-95.567172.2-61-171.341.700110Y71 H79 K80 L160Y71-Q77 PolarHBondContact O-N 2.78Å; Q77-H79 PolarHBondContact O-N 2.99Å; Q77-K80 HydrophobicContact CB-CG 3.9Å; Q77-K80 VanDerWaalsContact O-CB 3.27Å; Q77-K80 WeakPolarHBondContact O-CB 3.29Å; Q77-K80 WeakPolarHBondContact O-CG 3.42Å; Q77-K80 PolarHBondContact O-N 3.45Å; Q77-L160 WeakPolarHBondContact O-CD2 3.37Å
78T96.5Very high97.8Very high57 Ų5735.5 Ų35.535%0.3519%0.189SC..THydrogen-bonded Turntrans-61-9.1-171.959.20000115.7P76 K80 R107 F227P76-T78 HydrophobicContact CB-CG2 4.06Å; P76-T78 HydrophobicContact CG-CG2 4.44Å; P76-T78 PolarHBondContact O-N 3.37Å; T78-K80 VanDerWaalsContact C-N 3.28Å; T78-R107 WeakPolarHBondContact O-CD 3.19Å; T78-F227 HydrophobicContact CG2-CD2 3.98Å; T78-F227 HydrophobicContact CG2-CE2 3.63Å; T78-F227 HydrophobicContact CG2-CZ 4.3Å
79H96.1Very high97.8Very high126 Ų12640.5 Ų40.558%0.58321%0.208SC*.THydrogen-bonded Turntrans-76.4-13.9170.870.2-84.5000113.3Q77 E81Q77-H79 PolarHBondContact O-N 2.99Å; H79-E81 PolarHBondContact O-N 3.11Å; H79-E81 VanDerWaalsContact O-N 3.16Å
80K97.5Very high97.7Very high35 Ų3543.2 Ų43.215%0.15222%0.22CC..  trans-76.992.3173.3-64.9-64.6-162.7161.10109.4Y71 Q77 T78 Y82 G159 L160 D308Y71-K80 HydrophobicContact CD1-CG 4.4Å; Y71-K80 HydrophobicContact CD2-CB 4.12Å; Y71-K80 HydrophobicContact CD2-CD 4.01Å; Y71-K80 HydrophobicContact CD2-CG 3.74Å; Y71-K80 HydrophobicContact CE2-CD 3.83Å; Y71-K80 HydrophobicContact CE2-CG 4.1Å; Y71-K80 HydrophobicContact CG-CG 3.92Å; Y71-K80 VanDerWaalsContact CZ-NZ 3.34Å; Y71-K80 PolarHBondContact OH-NZ 3.06Å; Q77-K80 HydrophobicContact CB-CG 3.9Å; Q77-K80 VanDerWaalsContact O-CB 3.27Å; Q77-K80 WeakPolarHBondContact O-CB 3.29Å; Q77-K80 WeakPolarHBondContact O-CG 3.42Å; Q77-K80 PolarHBondContact O-N 3.45Å; T78-K80 VanDerWaalsContact C-N 3.28Å; K80-Y82 HydrophobicContact CB-CE2 4.33Å; K80-G159 WeakPolarHBondContact O-CA 3.36Å; K80-L160 HydrophobicContact CB-CD2 4.5Å; K80-L160 PolarHBondContact O-N 2.82Å; K80-D308 WeakPolarHBondContact CD-OD2 3.13Å; K80-D308 VanDerWaalsContact NZ-CG 3.3Å; K80-D308 IonicContact NZ-OD1 3.74Å; K80-D308 PolarHBondContact NZ-OD1 3.21Å; K80-D308 IonicContact NZ-OD2 2.74Å; K80-D308 PolarHBondContact NZ-OD2 3.44Å
81E97.6Very high97.6Very high63 Ų6342.8 Ų42.829%0.29422%0.218SC..EExtended strand (participates in β ladder)trans-130140.2-179.6-170.6178106.500109.3H79 P105 N157H79-E81 PolarHBondContact O-N 3.11Å; H79-E81 VanDerWaalsContact O-N 3.16Å; E81-P105 HydrophobicContact CG-CB 4.38Å; E81-N157 HydrophobicContact CG-CB 4.43Å
82Y98.5Very high97.6Very high27 Ų2747.7 Ų47.711%0.10624%0.241CC..EExtended strand (participates in β ladder)trans-134.4157.6-171.6-49.2-81.1000110.1V66 Y71 K80 N157 F158 D308V66-Y82 HydrophobicContact CG1-CD1 3.65Å; V66-Y82 HydrophobicContact CG1-CD2 3.91Å; V66-Y82 HydrophobicContact CG1-CE1 3.8Å; V66-Y82 HydrophobicContact CG1-CE2 4.04Å; V66-Y82 HydrophobicContact CG1-CG 3.7Å; Y71-Y82 WeakPolarHBondContact CE2-OH 3.49Å; K80-Y82 HydrophobicContact CB-CE2 4.33Å; Y82-N157 CarbonylContact O-C 3.59Å; Y82-N157 WeakPolarHBondContact O-CA 3.24Å; Y82-N157 WeakPolarHBondContact O-CB 3.36Å; Y82-N157 PolarHBondContact O-OD1 2.59Å; Y82-F158 AromaticContact CD2-CD2 3.82Å; Y82-F158 HydrophobicContact CD2-CD2 3.82Å; Y82-F158 AromaticContact CD2-CE2 3.36Å; Y82-F158 HydrophobicContact CD2-CE2 3.36Å; Y82-F158 AromaticContact CD2-CZ 3.97Å; Y82-F158 HydrophobicContact CD2-CZ 3.97Å; Y82-F158 HydrophobicContact CE2-CE2 4.27Å; Y82-F158 HydrophobicContact CG-CD2 4.45Å; Y82-F158 AromaticContact CG-CE2 3.79Å; Y82-F158 HydrophobicContact CG-CE2 3.79Å; Y82-F158 AromaticContact CG-CZ 3.89Å; Y82-F158 HydrophobicContact CG-CZ 3.89Å; Y82-F158 PolarHBondContact N-O 2.9Å; Y82-F158 PolarHBondContact O-N 2.94Å; Y82-D308 HydrophobicContact CE1-CB 3.89Å; Y82-D308 WeakPolarHBondContact CE1-OD2 3.47Å; Y82-D308 PolarHBondContact OH-OD2 3.2Å
83N98.6Very high97.6Very high39 Ų3947.2 Ų47.221%0.20924%0.238CC..EExtended strand (participates in β ladder)trans-125.3126.1-179.8-174.6-74.4000111.2N85 V86 I87 N157N83-N85 VanDerWaalsContact C-N 3.27Å; N83-N85 PolarHBondContact O-N 3.12Å; N83-N85 WeakPolarHBondContact OD1-CA 3.22Å; N83-N85 WeakPolarHBondContact OD1-CB 3.29Å; N83-N85 PolarHBondContact OD1-N 3.36Å; N83-V86 HydrophobicContact CB-CB 4.37Å; N83-V86 HydrophobicContact CB-CG2 4.06Å; N83-V86 WeakPolarHBondContact O-CA 3.5Å; N83-V86 WeakPolarHBondContact O-CB 3.18Å; N83-V86 PolarHBondContact O-N 3.26Å; N83-I87 WeakPolarHBondContact O-CG1 3.32Å; N83-I87 PolarHBondContact O-N 3.42Å; N83-N157 WeakPolarHBondContact CB-OD1 3.25Å; N83-N157 PolarHBondContact ND2-OD1 2.94Å
84M98.6Very high97.6Very high1 Ų150.7 Ų50.71%0.00526%0.261CS..Hα-helixtrans-62.2-27.3-177-74.5-180-96.100114.3V86 I87 S88 I98 P117 V119 T121 C156 F158M84-V86 VanDerWaalsContact C-N 3.33Å; M84-I87 PolarHBondContact O-N 2.91Å; M84-S88 PolarHBondContact O-N 2.92Å; M84-I98 HydrophobicContact CB-CD1 4.13Å; M84-I98 HydrophobicContact CG-CD1 4.44Å; M84-I98 HydrophobicContact SD-CG2 4.1Å; M84-P117 HydrophobicContact CE-CB 4.27Å; M84-P117 HydrophobicContact SD-CB 3.94Å; M84-V119 HydrophobicContact CB-CG1 4.37Å; M84-V119 HydrophobicContact CE-CB 4.31Å; M84-V119 HydrophobicContact CE-CG2 3.41Å; M84-V119 VanDerWaalsContact CE-CG2 3.41Å; M84-V119 HydrophobicContact SD-CB 3.79Å; M84-V119 HydrophobicContact SD-CG1 4.48Å; M84-V119 HydrophobicContact SD-CG2 3.53Å; M84-V119 VanDerWaalsContact SD-CG2 3.53Å; M84-T121 HydrophobicContact CB-CG2 4.19Å; M84-T121 WeakPolarHBondContact O-CG2 3.33Å; M84-C156 HydrophobicContact CB-CB 4.15Å; M84-C156 HydrophobicContact CE-CB 4.49Å; M84-C156 WeakPolarHBondContact CE-O 3.35Å; M84-C156 PolarHBondContact N-O 3Å; M84-F158 HydrophobicContact CG-CD1 3.96Å; M84-F158 HydrophobicContact CG-CE1 3.95Å
85N98.4Very high97.6Very high17 Ų1748.5 Ų48.59%0.09125%0.249CC..Hα-helixtrans-70.2-29.5172.9-63.9-37.4000112.5N83 S88 K89 T121 E122N83-N85 VanDerWaalsContact C-N 3.27Å; N83-N85 PolarHBondContact O-N 3.12Å; N83-N85 WeakPolarHBondContact OD1-CA 3.22Å; N83-N85 WeakPolarHBondContact OD1-CB 3.29Å; N83-N85 PolarHBondContact OD1-N 3.36Å; N85-S88 PolarHBondContact O-OG 2.59Å; N85-K89 WeakPolarHBondContact O-CE 3.43Å; N85-K89 WeakPolarHBondContact O-CG 3.47Å; N85-T121 WeakPolarHBondContact OD1-CA 3.47Å; N85-T121 VanDerWaalsContact OD1-CB 3.26Å; N85-T121 WeakPolarHBondContact OD1-CB 3.46Å; N85-E122 HydrophobicContact CB-CG 3.92Å; N85-E122 PolarHBondContact OD1-N 2.99Å
86V98Very high97.7Very high72 Ų7244.7 Ų44.744%0.43623%0.229SC..Hα-helixtrans-76.2-47173.1177.90000109.3N83 M84 S88 K89 E90N83-V86 HydrophobicContact CB-CB 4.37Å; N83-V86 HydrophobicContact CB-CG2 4.06Å; N83-V86 WeakPolarHBondContact O-CA 3.5Å; N83-V86 WeakPolarHBondContact O-CB 3.18Å; N83-V86 PolarHBondContact O-N 3.26Å; M84-V86 VanDerWaalsContact C-N 3.33Å; V86-S88 VanDerWaalsContact C-N 3.31Å; V86-S88 PolarHBondContact O-N 2.68Å; V86-K89 WeakPolarHBondContact O-CB 3.22Å; V86-K89 PolarHBondContact O-N 2.74Å; V86-E90 PolarHBondContact O-N 2.85Å; V86-E90 VanDerWaalsContact O-N 3.16Å
87I98.3Very high97.7Very high3 Ų342.9 Ų42.92%0.01522%0.217CC..Hα-helixtrans-54.7-47.7177.3-62.7-60.7000110.4T64 V66 N83 M84 K89 E90 L91 F158 I307T64-I87 HydrophobicContact CG2-CG2 4.21Å; V66-I87 HydrophobicContact CG1-CD1 4.11Å; V66-I87 HydrophobicContact CG2-CD1 4.03Å; N83-I87 WeakPolarHBondContact O-CG1 3.32Å; N83-I87 PolarHBondContact O-N 3.42Å; M84-I87 PolarHBondContact O-N 2.91Å; I87-K89 PolarHBondContact O-N 2.85Å; I87-K89 VanDerWaalsContact O-N 3.08Å; I87-E90 CarbonylContact O-C 3.32Å; I87-E90 WeakPolarHBondContact O-CA 3.4Å; I87-E90 WeakPolarHBondContact O-CB 3.37Å; I87-E90 PolarHBondContact O-N 2.89Å; I87-L91 HydrophobicContact CG2-CD1 3.9Å; I87-L91 HydrophobicContact CG2-CD2 4.28Å; I87-L91 HydrophobicContact CG2-CG 3.88Å; I87-L91 VanDerWaalsContact O-CG 3.25Å; I87-L91 WeakPolarHBondContact O-CG 3.19Å; I87-L91 PolarHBondContact O-N 2.73Å; I87-F158 HydrophobicContact CG1-CE1 4.13Å; I87-F158 HydrophobicContact CG1-CZ 4.26Å; I87-I307 HydrophobicContact CD1-CD1 3.71Å; I87-I307 HydrophobicContact CD1-CG2 4.15Å; I87-I307 HydrophobicContact CG2-CD1 4.11Å
88S97.9Very high97.8Very high0 Ų039.7 Ų39.70%020%0.202CC..Hα-helixtrans-57.4-31.3-178.971.70000113.9M84 N85 V86 L93 T121M84-S88 PolarHBondContact O-N 2.92Å; N85-S88 PolarHBondContact O-OG 2.59Å; V86-S88 VanDerWaalsContact C-N 3.31Å; V86-S88 PolarHBondContact O-N 2.68Å; S88-L93 WeakPolarHBondContact CB-O 3.46Å; S88-L93 CarbonylContact O-C 3.47Å; S88-L93 WeakPolarHBondContact O-CA 3.46Å; S88-L93 PolarHBondContact O-N 3.3Å; S88-T121 WeakPolarHBondContact CB-OG1 3.44Å; S88-T121 PolarHBondContact OG-OG1 2.89Å
89K97.2Very high97.9Very high112 Ų11237 Ų3749%0.48719%0.186SC..Hα-helixtrans-72.3-43.9174.3-62.2167.6-168.6168.90111.3N85 V86 I87 L91 E92 P94 E122N85-K89 WeakPolarHBondContact O-CE 3.43Å; N85-K89 WeakPolarHBondContact O-CG 3.47Å; V86-K89 WeakPolarHBondContact O-CB 3.22Å; V86-K89 PolarHBondContact O-N 2.74Å; I87-K89 PolarHBondContact O-N 2.85Å; I87-K89 VanDerWaalsContact O-N 3.08Å; K89-L91 VanDerWaalsContact C-N 3.26Å; K89-L91 PolarHBondContact O-N 2.96Å; K89-E92 PolarHBondContact O-N 2.98Å; K89-P94 HydrophobicContact CG-CB 4.41Å; K89-E122 IonicContact NZ-OE1 2.76Å; K89-E122 PolarHBondContact NZ-OE1 2.98Å
90E96.6Very high98Very high68 Ų6831 Ų3132%0.31816%0.158SC..Hα-helixtrans-63.2-32.2174.8-68.7-172-150.300113.1T7 V86 I87 E92 I307T7-E90 PolarHBondContact OG1-OE2 3.21Å; V86-E90 PolarHBondContact O-N 2.85Å; V86-E90 VanDerWaalsContact O-N 3.16Å; I87-E90 CarbonylContact O-C 3.32Å; I87-E90 WeakPolarHBondContact O-CA 3.4Å; I87-E90 WeakPolarHBondContact O-CB 3.37Å; I87-E90 PolarHBondContact O-N 2.89Å; E90-E92 PolarHBondContact O-N 3.37Å; E90-I307 HydrophobicContact CB-CD1 4.17Å; E90-I307 WeakPolarHBondContact OE2-CD1 3.41Å; E90-I307 WeakPolarHBondContact OE2-CG2 3.27Å
91L96.4Very high98.1Very high0 Ų029.3 Ų29.30%015%0.151CC..THydrogen-bonded Turntrans-71.5-1.2174.2-61.2-174.7000112.7R62 T64 I87 K89 L93 A166 Y305 I307R62-L91 WeakPolarHBondContact CD-O 3.37Å; R62-L91 PolarHBondContact NH1-O 2.91Å; T64-L91 HydrophobicContact CG2-CD1 4Å; T64-L91 HydrophobicContact CG2-CD2 4.03Å; I87-L91 HydrophobicContact CG2-CD1 3.9Å; I87-L91 HydrophobicContact CG2-CD2 4.28Å; I87-L91 HydrophobicContact CG2-CG 3.88Å; I87-L91 VanDerWaalsContact O-CG 3.25Å; I87-L91 WeakPolarHBondContact O-CG 3.19Å; I87-L91 PolarHBondContact O-N 2.73Å; K89-L91 VanDerWaalsContact C-N 3.26Å; K89-L91 PolarHBondContact O-N 2.96Å; L91-L93 PolarHBondContact O-N 2.98Å; L91-A166 HydrophobicContact CD1-CB 3.62Å; L91-Y305 VanDerWaalsContact CD2-CB 3.41Å; L91-Y305 HydrophobicContact CD2-CD1 4.1Å; L91-Y305 HydrophobicContact CD2-CD2 3.77Å; L91-Y305 HydrophobicContact CD2-CG 3.5Å; L91-Y305 VanDerWaalsContact CD2-CG 3.5Å; L91-Y305 PolarHBondContact O-OH 2.84Å; L91-I307 HydrophobicContact CD2-CD1 4.1Å
92E97.3Very high98.2Very high115 Ų11526.3 Ų26.354%0.53714%0.137SC..THydrogen-bonded Turntrans58.236-170.4-51.2167.6-170.900112.1K9 R62 K89 E90 Y305K9-E92 IonicContact NZ-OE1 3.7Å; K9-E92 PolarHBondContact NZ-OE1 2.95Å; K9-E92 IonicContact NZ-OE2 2.96Å; K9-E92 PolarHBondContact NZ-OE2 3.27Å; R62-E92 PolarHBondContact NH1-O 3.21Å; K89-E92 PolarHBondContact O-N 2.98Å; E90-E92 PolarHBondContact O-N 3.37Å; E92-Y305 PolarHBondContact OE2-OH 2.9Å
93L98.1Very high98.2Very high11 Ų1125.1 Ų25.16%0.05813%0.132CC..  trans-144.261.6-179.5-162.562.8000112.2K60 S88 L91 G95 A96 A166 E168K60-L93 HydrophobicContact CB-CD1 4.38Å; K60-L93 HydrophobicContact CD-CD1 4.22Å; S88-L93 WeakPolarHBondContact CB-O 3.46Å; S88-L93 CarbonylContact O-C 3.47Å; S88-L93 WeakPolarHBondContact O-CA 3.46Å; S88-L93 PolarHBondContact O-N 3.3Å; L91-L93 PolarHBondContact O-N 2.98Å; L93-G95 PolarHBondContact O-N 2.98Å; L93-A96 HydrophobicContact CB-CB 4.21Å; L93-A96 HydrophobicContact CD2-CB 3.73Å; L93-A96 HydrophobicContact CG-CB 3.81Å; L93-A96 VanDerWaalsContact O-CB 3.24Å; L93-A96 WeakPolarHBondContact O-CB 3.34Å; L93-A96 PolarHBondContact O-N 2.92Å; L93-A96 VanDerWaalsContact O-N 3.1Å; L93-A166 HydrophobicContact CD2-CB 4.48Å; L93-E168 HydrophobicContact CD1-CG 3.97Å
94P97.6Very high98.2Very high78 Ų7823.3 Ų23.351%0.50612%0.123SC..THydrogen-bonded Turntrans-57.6135.9176.225.9-34.4000110.9K89 A96K89-P94 HydrophobicContact CG-CB 4.41Å; P94-A96 VanDerWaalsContact C-N 3.35Å
95G98.2Very high98.1Very high9 Ų923.3 Ų23.39%0.09312%0.123CC..THydrogen-bonded Turntrans79.511.3-175.400000115.6L93 T121 E122 R126L93-G95 PolarHBondContact O-N 2.98Å; G95-T121 WeakPolarHBondContact CA-O 3.38Å; G95-T121 VanDerWaalsContact CA-OG1 3.31Å; G95-T121 WeakPolarHBondContact CA-OG1 3.26Å; G95-T121 PolarHBondContact N-OG1 2.68Å; G95-E122 WeakPolarHBondContact CA-O 3.47Å; G95-E122 PolarHBondContact N-O 2.91Å; G95-R126 PolarHBondContact O-NH2 3.4Å
96A98.6Very high98.1Very high1 Ų123.3 Ų23.31%0.00812%0.124CC..  trans-52.5145.8175.100000113.2L93 P94 I98 T121 A166 C167L93-A96 HydrophobicContact CB-CB 4.21Å; L93-A96 HydrophobicContact CD2-CB 3.73Å; L93-A96 HydrophobicContact CG-CB 3.81Å; L93-A96 VanDerWaalsContact O-CB 3.24Å; L93-A96 WeakPolarHBondContact O-CB 3.34Å; L93-A96 PolarHBondContact O-N 2.92Å; L93-A96 VanDerWaalsContact O-N 3.1Å; P94-A96 VanDerWaalsContact C-N 3.35Å; A96-I98 HydrophobicContact CB-CG1 4.09Å; A96-T121 PolarHBondContact N-OG1 2.67Å; A96-T121 PolarHBondContact O-N 3.05Å; A96-T121 PolarHBondContact O-OG1 2.75Å; A96-A166 HydrophobicContact CB-CB 4.38Å; A96-C167 CarbonylContact C-O 3.58Å; A96-C167 WeakPolarHBondContact CA-O 3.43Å
97F98.9Very high98Very high0 Ų027.9 Ų27.90%013%0.134CC..EExtended strand (participates in β ladder)trans-81.9131.8153.9176.2-124000109.6F52 P53 V54 L57 L99 L118 V119 L120 A166 C167F52-F97 HydrophobicContact CB-CZ 4.35Å; F52-F97 HydrophobicContact CD2-CE1 4.15Å; F52-F97 AromaticContact CD2-CZ 3.73Å; F52-F97 HydrophobicContact CD2-CZ 3.73Å; F52-F97 HydrophobicContact CE2-CZ 4.31Å; F52-F97 HydrophobicContact CG-CZ 4.21Å; P53-F97 HydrophobicContact CG-CD2 4.05Å; P53-F97 HydrophobicContact CG-CE2 3.76Å; V54-F97 HydrophobicContact CB-CG 4.39Å; V54-F97 HydrophobicContact CG1-CB 4.02Å; V54-F97 HydrophobicContact CG1-CD2 4.12Å; V54-F97 HydrophobicContact CG1-CG 4.06Å; V54-F97 HydrophobicContact CG2-CB 4.11Å; V54-F97 HydrophobicContact CG2-CD1 3.37Å; V54-F97 HydrophobicContact CG2-CD2 3.75Å; V54-F97 HydrophobicContact CG2-CE1 3.57Å; V54-F97 HydrophobicContact CG2-CE2 3.97Å; V54-F97 HydrophobicContact CG2-CG 3.45Å; V54-F97 VanDerWaalsContact CG2-CG 3.45Å; V54-F97 HydrophobicContact CG2-CZ 3.88Å; L57-F97 HydrophobicContact CD2-CE1 4Å; F97-L99 HydrophobicContact CE1-CD2 3.85Å; F97-L99 HydrophobicContact CZ-CB 4.35Å; F97-L99 HydrophobicContact CZ-CD2 4.16Å; F97-L118 HydrophobicContact CE2-CD2 4.27Å; F97-L118 HydrophobicContact CZ-CD2 4Å; F97-V119 CarbonylContact C-O 3.35Å; F97-V119 WeakPolarHBondContact CA-O 3.36Å; F97-L120 HydrophobicContact CB-CD1 4.08Å; F97-A166 CarbonylContact O-C 3.42Å; F97-A166 VanDerWaalsContact O-CA 3.3Å; F97-A166 WeakPolarHBondContact O-CA 3.45Å; F97-C167 PolarHBondContact N-O 2.7Å; F97-C167 PolarHBondContact O-N 3Å
98I98.9Very high98Very high0 Ų030.2 Ų30.20%015%0.146CC..EExtended strand (participates in β ladder)trans-128.5130.1-176.1-58.9177000108.9M84 A96 V119 T121 L164 Y165 A166M84-I98 HydrophobicContact CB-CD1 4.13Å; M84-I98 HydrophobicContact CG-CD1 4.44Å; M84-I98 HydrophobicContact SD-CG2 4.1Å; A96-I98 HydrophobicContact CB-CG1 4.09Å; I98-V119 PolarHBondContact N-O 2.81Å; I98-V119 PolarHBondContact O-N 2.94Å; I98-T121 HydrophobicContact CD1-CG2 3.69Å; I98-T121 HydrophobicContact CG1-CG2 4.35Å; I98-L164 HydrophobicContact CG2-CB 3.77Å; I98-L164 HydrophobicContact CG2-CD1 3.81Å; I98-L164 HydrophobicContact CG2-CD2 3.96Å; I98-L164 HydrophobicContact CG2-CG 4.06Å; I98-Y165 WeakPolarHBondContact CA-O 3.4Å; I98-A166 HydrophobicContact CG1-CB 4.07Å
99L98.9Very high97.9Very high0 Ų031.1 Ų31.10%015%0.151CC..EExtended strand (participates in β ladder)trans-131.5165.9167.864.279.6000111.4F52 L57 F97 P117 L118 L164 Y165 G209 Q254F52-L99 HydrophobicContact CE2-CD2 4.21Å; L57-L99 HydrophobicContact CD2-CD2 3.69Å; F97-L99 HydrophobicContact CE1-CD2 3.85Å; F97-L99 HydrophobicContact CZ-CB 4.35Å; F97-L99 HydrophobicContact CZ-CD2 4.16Å; L99-P117 VanDerWaalsContact CA-O 3.22Å; L99-P117 WeakPolarHBondContact CA-O 3.28Å; L99-L118 HydrophobicContact CB-CD2 4.31Å; L99-L164 CarbonylContact O-C 3.54Å; L99-L164 WeakPolarHBondContact O-CA 3.18Å; L99-Y165 HydrophobicContact CD1-CD1 4.27Å; L99-Y165 HydrophobicContact CD1-CG 4.48Å; L99-Y165 HydrophobicContact CD2-CD1 4.41Å; L99-Y165 HydrophobicContact CG-CD1 4.12Å; L99-Y165 PolarHBondContact N-O 2.92Å; L99-Y165 PolarHBondContact O-N 3.25Å; L99-G209 VanDerWaalsContact CD1-O 3.31Å; L99-G209 WeakPolarHBondContact CD1-O 3.26Å; L99-Q254 HydrophobicContact CB-CG 4.2Å; L99-Q254 HydrophobicContact CD1-CB 4.05Å; L99-Q254 HydrophobicContact CD1-CG 4.41Å
100G98.8Very high98Very high0 Ų029.1 Ų29.10%016%0.162CC..EExtended strand (participates in β ladder)trans156-135.9171.700000114.6P117 N163 Q254G100-P117 WeakPolarHBondContact O-CD 3.46Å; G100-N163 WeakPolarHBondContact CA-O 3.35Å; G100-Q254 WeakPolarHBondContact O-CB 3.23Å; G100-Q254 PolarHBondContact O-OE1 3.1Å
101A98.9Very high98Very high0 Ų026.8 Ų26.80%015%0.151CC..EExtended strand (participates in β ladder)trans-142.6143.6-178.300000110.1A162 N163 H270 H272A101-A162 CarbonylContact O-C 3.53Å; A101-A162 VanDerWaalsContact O-CA 3.29Å; A101-A162 WeakPolarHBondContact O-CA 3.47Å; A101-N163 PolarHBondContact N-O 2.95Å; A101-N163 PolarHBondContact O-N 2.8Å; A101-H270 HydrophobicContact CB-CB 4.25Å; A101-H272 HydrophobicContact CB-CB 3.92Å; A101-H272 VanDerWaalsContact CB-CD2 3.5Å; A101-H272 WeakPolarHBondContact CB-CD2 3.34Å; A101-H272 VanDerWaalsContact CB-CG 3.49Å
102G98.6Very high98.1Very high0 Ų026.9 Ų26.90%015%0.152CC..EExtended strand (participates in β ladder)trans-176-179.3177.500000113.4L115 L161 H272G102-L115 PolarHBondContact N-O 3.12Å; G102-L115 WeakPolarHBondContact O-CA 3.39Å; G102-L115 WeakPolarHBondContact O-CB 3.23Å; G102-L115 PolarHBondContact O-N 3.39Å; G102-L161 VanDerWaalsContact CA-O 3.27Å; G102-L161 WeakPolarHBondContact CA-O 3.23Å; G102-H272 PolarHBondContact O-CE1 3.15Å
103A98.8Very high98.1Very high1 Ų121.4 Ų21.41%0.00813%0.126CC..EExtended strand (participates in β ladder)trans-90140.3174.400000110.8F158 G159 L160 L161 M223A103-F158 WeakPolarHBondContact O-CB 3.45Å; A103-G159 WeakPolarHBondContact CB-O 3.4Å; A103-G159 PolarHBondContact O-N 2.89Å; A103-L160 HydrophobicContact CB-CB 4.37Å; A103-L160 HydrophobicContact CB-CD1 4.43Å; A103-L161 PolarHBondContact N-O 2.94Å; A103-L161 VanDerWaalsContact N-O 3.1Å; A103-M223 HydrophobicContact CB-CE 4.21Å
104A98.4Very high98.2Very high2 Ų221.1 Ų21.12%0.01712%0.124CC..  trans-63.5151.7173.400000111.1S106 T109 A113 L115A104-S106 PolarHBondContact O-N 2.99Å; A104-T109 HydrophobicContact CB-CG2 4.17Å; A104-A113 HydrophobicContact CB-CB 3.77Å; A104-A113 WeakPolarHBondContact CB-O 3.43Å; A104-A113 PolarHBondContact N-O 3.04Å; A104-L115 HydrophobicContact CB-CB 4.42Å
105P97.6Very high98.2Very high0 Ų017.4 Ų17.40%010%0.101CC..  trans-73.589.5178.930.6-32.3000110.1E81 R107 I108 T109 Y149 N157E81-P105 HydrophobicContact CG-CB 4.38Å; P105-R107 PolarHBondContact O-N 2.84Å; P105-I108 HydrophobicContact CB-CB 4.25Å; P105-I108 HydrophobicContact CB-CD1 4.04Å; P105-I108 HydrophobicContact CB-CG1 4.39Å; P105-I108 HydrophobicContact CG-CB 4.13Å; P105-I108 HydrophobicContact CG-CD1 4.21Å; P105-I108 WeakPolarHBondContact O-CA 3.38Å; P105-I108 WeakPolarHBondContact O-CB 3.32Å; P105-I108 PolarHBondContact O-N 3.06Å; P105-T109 HydrophobicContact CG-CG2 4.26Å; P105-T109 PolarHBondContact O-N 2.81Å; P105-T109 PolarHBondContact O-OG1 2.96Å; P105-Y149 HydrophobicContact CG-CE2 4.18Å; P105-Y149 VanDerWaalsContact CG-OH 3.27Å; P105-Y149 WeakPolarHBondContact CG-OH 3.4Å; P105-N157 HydrophobicContact CB-CB 3.89Å; P105-N157 HydrophobicContact CG-CB 3.99Å; P105-N157 WeakPolarHBondContact CG-O 2.96Å
106S97.8Very high98.2Very high18 Ų1817 Ų1713%0.12610%0.096CC..Hα-helixtrans-58.7-26.5-168.769.90000114.6A104 I108 T109 G110 M111A104-S106 PolarHBondContact O-N 2.99Å; S106-I108 VanDerWaalsContact C-N 3.28Å; S106-T109 WeakPolarHBondContact CA-OG1 3.18Å; S106-G110 CarbonylContact O-C 3.53Å; S106-G110 VanDerWaalsContact O-CA 3.27Å; S106-G110 WeakPolarHBondContact O-CA 3.43Å; S106-G110 PolarHBondContact O-N 3.26Å; S106-M111 WeakPolarHBondContact CA-O 3.39Å; S106-M111 WeakPolarHBondContact CB-O 3.26Å; S106-M111 PolarHBondContact O-N 2.83Å
107R97.1Very high98.2Very high168 Ų16817 Ų1763%0.63410%0.096SC*.Hα-helixtrans-73-21.2176.3-65.4177.864.2-148.80113.1T78 P105T78-R107 WeakPolarHBondContact O-CD 3.19Å; P105-R107 PolarHBondContact O-N 2.84Å
108I97.1Very high98.2Very high52 Ų5217.1 Ų17.127%0.26710%0.097SC..Hα-helixtrans-96.2-48.8177-65.9172.7000110P105 S106 G110 F153 N157P105-I108 HydrophobicContact CB-CB 4.25Å; P105-I108 HydrophobicContact CB-CD1 4.04Å; P105-I108 HydrophobicContact CB-CG1 4.39Å; P105-I108 HydrophobicContact CG-CB 4.13Å; P105-I108 HydrophobicContact CG-CD1 4.21Å; P105-I108 WeakPolarHBondContact O-CA 3.38Å; P105-I108 WeakPolarHBondContact O-CB 3.32Å; P105-I108 PolarHBondContact O-N 3.06Å; S106-I108 VanDerWaalsContact C-N 3.28Å; I108-G110 PolarHBondContact O-N 2.92Å; I108-F153 HydrophobicContact CG2-CD1 3.69Å; I108-F153 HydrophobicContact CG2-CE1 4.1Å; I108-F153 HydrophobicContact CG2-CG 4.19Å; I108-N157 HydrophobicContact CD1-CB 3.77Å; I108-N157 WeakPolarHBondContact CD1-ND2 3.38Å
109T97.2Very high98.2Very high19 Ų1917.1 Ų17.112%0.11710%0.097CC..Hα-helixtrans-72.5-17.5-179.458.50000112.8A104 P105 S106 M111 Y149 F153A104-T109 HydrophobicContact CB-CG2 4.17Å; P105-T109 HydrophobicContact CG-CG2 4.26Å; P105-T109 PolarHBondContact O-N 2.81Å; P105-T109 PolarHBondContact O-OG1 2.96Å; S106-T109 WeakPolarHBondContact CA-OG1 3.18Å; T109-M111 PolarHBondContact O-N 2.96Å; T109-M111 PolarHBondContact OG1-O 3.01Å; T109-Y149 HydrophobicContact CG2-CE2 4.12Å; T109-F153 HydrophobicContact CG2-CD2 4.4Å; T109-F153 HydrophobicContact CG2-CE2 3.83Å; T109-F153 HydrophobicContact CG2-CZ 4.07Å
110G97.5Very high98.2Very high69 Ų6917.8 Ų17.871%0.71110%0.1SC*.SBendtrans74.57.6-176.200000113.9S106 I108S106-G110 CarbonylContact O-C 3.53Å; S106-G110 VanDerWaalsContact O-CA 3.27Å; S106-G110 WeakPolarHBondContact O-CA 3.43Å; S106-G110 PolarHBondContact O-N 3.26Å; I108-G110 PolarHBondContact O-N 2.92Å
111M97.4Very high98.2Very high20 Ų2017.8 Ų17.810%0.09910%0.1CC..SBendtrans-159.5159.7-178.764.8-174.8-179.900111.6S106 T109 F134 R225S106-M111 WeakPolarHBondContact CA-O 3.39Å; S106-M111 WeakPolarHBondContact CB-O 3.26Å; S106-M111 PolarHBondContact O-N 2.83Å; T109-M111 PolarHBondContact O-N 2.96Å; T109-M111 PolarHBondContact OG1-O 3.01Å; M111-F134 HydrophobicContact CE-CD2 4.12Å; M111-F134 HydrophobicContact CE-CE2 3.48Å; M111-F134 VanDerWaalsContact CE-CE2 3.48Å; M111-F134 HydrophobicContact CE-CZ 4.46Å; M111-R225 HydrophobicContact CB-CB 4.26Å; M111-R225 HydrophobicContact SD-CG 4.41Å; M111-R225 PolarHBondContact SD-NE 3.49Å; M111-R225 PolarHBondContact SD-NH2 2.92Å
112N97.6Very high98.2Very high1 Ų121.3 Ų21.31%0.00512%0.117CC..  trans-73.2145.6166.3-170.223.6000110.9M223 P224 R225 F227N112-M223 WeakPolarHBondContact ND2-CB 3.46Å; N112-M223 PolarHBondContact ND2-SD 2.91Å; N112-M223 VanDerWaalsContact OD1-CE 3.32Å; N112-M223 WeakPolarHBondContact OD1-CE 3.13Å; N112-P224 WeakPolarHBondContact CB-O 3.47Å; N112-P224 PolarHBondContact ND2-O 2.76Å; N112-R225 WeakPolarHBondContact CB-O 3.06Å; N112-R225 PolarHBondContact N-O 2.94Å; N112-F227 HydrophobicContact CB-CD1 4.21Å; N112-F227 HydrophobicContact CB-CE1 3.78Å; N112-F227 HydrophobicContact CB-CE2 4.15Å; N112-F227 HydrophobicContact CB-CZ 3.75Å; N112-F227 WeakPolarHBondContact ND2-CE1 3.32Å; N112-F227 WeakPolarHBondContact OD1-CE1 3.48Å
113A98.5Very high98Very high0 Ų024.2 Ų24.20%013%0.134CC..  trans-166.6156-178.900000110.6A104 F134 S135A104-A113 HydrophobicContact CB-CB 3.77Å; A104-A113 WeakPolarHBondContact CB-O 3.43Å; A104-A113 PolarHBondContact N-O 3.04Å; A113-F134 HydrophobicContact CB-CB 4.49Å; A113-F134 HydrophobicContact CB-CD2 4.03Å; A113-S135 WeakPolarHBondContact CA-O 3.32Å; A113-S135 VanDerWaalsContact CB-O 3.26Å; A113-S135 WeakPolarHBondContact CB-O 3.39Å
114E98.9Very high97.8Very high5 Ų533.4 Ų33.42%0.02318%0.177CC..EExtended strand (participates in β ladder)trans-76.4133.8168.5-53.4-49.3151.300109.8M116 F134 S135 H221 I222 M223 H272E114-M116 HydrophobicContact CB-SD 4.39Å; E114-F134 CarbonylContact O-C 3.39Å; E114-F134 WeakPolarHBondContact O-CA 3.41Å; E114-F134 WeakPolarHBondContact O-CB 3.46Å; E114-S135 PolarHBondContact N-O 3.07Å; E114-S135 PolarHBondContact O-N 3.44Å; E114-H221 IonicContact OE1-CD2 2.79Å; E114-H221 IonicContact OE1-NE2 2.99Å; E114-I222 HydrophobicContact CG-CB 4.42Å; E114-I222 HydrophobicContact CG-CG2 4.26Å; E114-M223 WeakPolarHBondContact OE1-CE 2.97Å; E114-M223 VanDerWaalsContact OE1-CG 3.22Å; E114-M223 WeakPolarHBondContact OE1-CG 3.34Å; E114-M223 PolarHBondContact OE1-N 3.18Å; E114-M223 WeakPolarHBondContact OE2-CE 3.18Å; E114-H272 IonicContact OE2-CE1 3.06Å; E114-H272 PolarHBondContact OE2-CE1 3.02Å; E114-H272 IonicContact OE2-NE2 2.93Å; E114-H272 PolarHBondContact OE2-NE2 3.43Å
115L98.9Very high97.5Very high1 Ų137.4 Ų37.41%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-105.9136.9175.8-174.370.2000110.4G102 A104 P117 F134 Y149 F158 H272G102-L115 PolarHBondContact N-O 3.12Å; G102-L115 WeakPolarHBondContact O-CA 3.39Å; G102-L115 WeakPolarHBondContact O-CB 3.23Å; G102-L115 PolarHBondContact O-N 3.39Å; A104-L115 HydrophobicContact CB-CB 4.42Å; L115-P117 HydrophobicContact CD2-CG 4.05Å; L115-P117 HydrophobicContact CG-CG 4.1Å; L115-P117 WeakPolarHBondContact O-CD 3.35Å; L115-F134 HydrophobicContact CD1-CB 4.28Å; L115-Y149 HydrophobicContact CD1-CD2 4.17Å; L115-F158 HydrophobicContact CD2-CB 3.53Å; L115-H272 PolarHBondContact O-ND1 3.19Å
116M98.8Very high97.4Very high0 Ų041.6 Ų41.60%024%0.235CC..EExtended strand (participates in β ladder)trans-114.684.5172.3-70.571.777.500108.6E114 L118 S132 Y133 S135 Q146 H272 F274E114-M116 HydrophobicContact CB-SD 4.39Å; M116-L118 PolarHBondContact O-N 2.85Å; M116-S132 VanDerWaalsContact O-CA 3.29Å; M116-S132 WeakPolarHBondContact O-CA 3.42Å; M116-S132 VanDerWaalsContact O-CB 3.3Å; M116-S132 WeakPolarHBondContact O-CB 3.48Å; M116-Y133 PolarHBondContact N-O 2.61Å; M116-Y133 PolarHBondContact O-N 3.39Å; M116-Y133 VanDerWaalsContact O-N 3.15Å; M116-S135 WeakPolarHBondContact CE-OG 3.49Å; M116-Q146 HydrophobicContact CE-CG 4.21Å; M116-H272 HydrophobicContact CG-CB 3.66Å; M116-H272 HydrophobicContact SD-CB 4Å; M116-F274 HydrophobicContact CB-CD1 4.2Å; M116-F274 HydrophobicContact CE-CB 3.99Å; M116-F274 HydrophobicContact CG-CB 4.19Å; M116-F274 HydrophobicContact CG-CD1 4.37Å
117P98.7Very high97.4Very high1 Ų145.7 Ų45.71%0.00626%0.261CS..  trans-58.7131.2-175.5-25.136.2000112.9M84 L99 G100 L115 S132 L164 Q254M84-P117 HydrophobicContact CE-CB 4.27Å; M84-P117 HydrophobicContact SD-CB 3.94Å; L99-P117 VanDerWaalsContact CA-O 3.22Å; L99-P117 WeakPolarHBondContact CA-O 3.28Å; G100-P117 WeakPolarHBondContact O-CD 3.46Å; L115-P117 HydrophobicContact CD2-CG 4.05Å; L115-P117 HydrophobicContact CG-CG 4.1Å; L115-P117 WeakPolarHBondContact O-CD 3.35Å; P117-S132 WeakPolarHBondContact CA-OG 3.43Å; P117-L164 HydrophobicContact CB-CD2 4.02Å; P117-L164 HydrophobicContact CG-CD2 3.67Å; P117-Q254 VanDerWaalsContact O-CD 3.27Å; P117-Q254 PolarHBondContact O-NE2 3.13Å; P117-Q254 PolarHBondContact O-OE1 2.83Å
118L98.4Very high97.5Very high3 Ų339.4 Ų39.42%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-141.973.4169.4-76.9166.5000108.3F52 F97 L99 M116 G131 S132 Y133 Q254 F274F52-L118 HydrophobicContact CD1-CD1 4.19Å; F52-L118 HydrophobicContact CD1-CD2 3.62Å; F52-L118 HydrophobicContact CD2-CD2 4.24Å; F52-L118 HydrophobicContact CE1-CD1 4.15Å; F52-L118 HydrophobicContact CE1-CD2 3.57Å; F52-L118 HydrophobicContact CE2-CD2 4.18Å; F52-L118 HydrophobicContact CG-CD2 3.99Å; F52-L118 HydrophobicContact CZ-CD2 3.86Å; F97-L118 HydrophobicContact CE2-CD2 4.27Å; F97-L118 HydrophobicContact CZ-CD2 4Å; L99-L118 HydrophobicContact CB-CD2 4.31Å; M116-L118 PolarHBondContact O-N 2.85Å; L118-G131 WeakPolarHBondContact CD1-O 3.43Å; L118-G131 WeakPolarHBondContact O-CA 3.43Å; L118-G131 PolarHBondContact O-N 2.98Å; L118-S132 PolarHBondContact N-OG 2.76Å; L118-Y133 HydrophobicContact CD1-CD2 4.14Å; L118-Y133 HydrophobicContact CD1-CE2 3.95Å; L118-Q254 VanDerWaalsContact CD2-NE2 3.29Å; L118-F274 HydrophobicContact CD1-CE1 3.78Å; L118-F274 HydrophobicContact CD1-CE2 4.46Å; L118-F274 HydrophobicContact CD1-CZ 3.69Å
119V98.9Very high97.6Very high0 Ų040.4 Ų40.40%025%0.253CS..EExtended strand (participates in β ladder)trans-116.4123.9-170.1-179.90000110.7M84 F97 I98 T121 V129 N130 S132 C156M84-V119 HydrophobicContact CB-CG1 4.37Å; M84-V119 HydrophobicContact CE-CB 4.31Å; M84-V119 HydrophobicContact CE-CG2 3.41Å; M84-V119 VanDerWaalsContact CE-CG2 3.41Å; M84-V119 HydrophobicContact SD-CB 3.79Å; M84-V119 HydrophobicContact SD-CG1 4.48Å; M84-V119 HydrophobicContact SD-CG2 3.53Å; M84-V119 VanDerWaalsContact SD-CG2 3.53Å; F97-V119 CarbonylContact C-O 3.35Å; F97-V119 WeakPolarHBondContact CA-O 3.36Å; I98-V119 PolarHBondContact N-O 2.81Å; I98-V119 PolarHBondContact O-N 2.94Å; V119-T121 HydrophobicContact CG1-CG2 3.81Å; V119-V129 WeakPolarHBondContact CA-O 3.37Å; V119-N130 HydrophobicContact CG2-CB 4.31Å; V119-S132 WeakPolarHBondContact CG2-OG 3.34Å; V119-C156 HydrophobicContact CG1-CB 4.22Å
120L98.8Very high97.6Very high14 Ų1440.4 Ų40.47%0.07325%0.252CS..EExtended strand (participates in β ladder)trans-94.4102.7162.3-176.157000107.4P53 V54 F97 A128 V129P53-L120 HydrophobicContact CB-CB 4.16Å; P53-L120 HydrophobicContact CB-CD2 4.42Å; P53-L120 HydrophobicContact CG-CB 4.1Å; V54-L120 HydrophobicContact CG1-CB 4.47Å; V54-L120 HydrophobicContact CG1-CD1 3.59Å; V54-L120 HydrophobicContact CG1-CD2 3.72Å; V54-L120 HydrophobicContact CG1-CG 4.13Å; F97-L120 HydrophobicContact CB-CD1 4.08Å; L120-A128 CarbonylContact O-C 3.01Å; L120-A128 WeakPolarHBondContact O-CA 3.39Å; L120-V129 HydrophobicContact CB-CB 4.2Å; L120-V129 PolarHBondContact N-O 3.22Å; L120-V129 PolarHBondContact O-N 3.16Å
121T98.8Very high97.7Very high0 Ų037.8 Ų37.80%023%0.225CC..  trans-69.1158.1-170.7590000112.3M84 N85 S88 G95 A96 I98 V119 R126M84-T121 HydrophobicContact CB-CG2 4.19Å; M84-T121 WeakPolarHBondContact O-CG2 3.33Å; N85-T121 WeakPolarHBondContact OD1-CA 3.47Å; N85-T121 VanDerWaalsContact OD1-CB 3.26Å; N85-T121 WeakPolarHBondContact OD1-CB 3.46Å; S88-T121 WeakPolarHBondContact CB-OG1 3.44Å; S88-T121 PolarHBondContact OG-OG1 2.89Å; G95-T121 WeakPolarHBondContact CA-O 3.38Å; G95-T121 VanDerWaalsContact CA-OG1 3.31Å; G95-T121 WeakPolarHBondContact CA-OG1 3.26Å; G95-T121 PolarHBondContact N-OG1 2.68Å; A96-T121 PolarHBondContact N-OG1 2.67Å; A96-T121 PolarHBondContact O-N 3.05Å; A96-T121 PolarHBondContact O-OG1 2.75Å; I98-T121 HydrophobicContact CD1-CG2 3.69Å; I98-T121 HydrophobicContact CG1-CG2 4.35Å; V119-T121 HydrophobicContact CG1-CG2 3.81Å; T121-R126 PolarHBondContact O-NH2 2.92Å
122E97.8Very high97.7Very high74 Ų7436.9 Ų36.935%0.34622%0.221SC..  trans-60.2149.9178.872.4-175-164.100111.8N85 K89 G95 A128N85-E122 HydrophobicContact CB-CG 3.92Å; N85-E122 PolarHBondContact OD1-N 2.99Å; K89-E122 IonicContact NZ-OE1 2.76Å; K89-E122 PolarHBondContact NZ-OE1 2.98Å; G95-E122 WeakPolarHBondContact CA-O 3.47Å; G95-E122 PolarHBondContact N-O 2.91Å; E122-A128 HydrophobicContact CB-CB 4.26Å
123T96.2Very high97.8Very high60 Ų6038 Ų3837%0.36823%0.225SC..BIsolated β-bridgetrans-149.5175.2165.1-168.20000109.1G125 R126T123-G125 PolarHBondContact O-N 2.77Å; T123-G125 VanDerWaalsContact O-N 3.14Å; T123-R126 HydrophobicContact CG2-CB 4.05Å; T123-R126 PolarHBondContact N-O 3.01Å; T123-R126 PolarHBondContact O-N 3.24Å
124E93.6Very high97.8Very high194 Ų19438 Ų3891%0.90723%0.225SC*.THydrogen-bonded Turntrans-53.3122.3-179.6-169.7175-172.500111R126E124-R126 VanDerWaalsContact C-N 3.3Å; E124-R126 PolarHBondContact O-N 3.3Å
125G92.8Very high97.8Very high86 Ų8637.8 Ų37.889%0.88722%0.224SC*.THydrogen-bonded Turntrans75.55.9-179.800000116.1T123T123-G125 PolarHBondContact O-N 2.77Å; T123-G125 VanDerWaalsContact O-N 3.14Å
126R95.6Very high97.8Very high89 Ų8937.8 Ų37.834%0.33622%0.224SC..BIsolated β-bridgetrans-141.7116.5179.9-176.4-178.562.8126.29112.1G95 T121 T123 E124G95-R126 PolarHBondContact O-NH2 3.4Å; T121-R126 PolarHBondContact O-NH2 2.92Å; T123-R126 HydrophobicContact CG2-CB 4.05Å; T123-R126 PolarHBondContact N-O 3.01Å; T123-R126 PolarHBondContact O-N 3.24Å; E124-R126 VanDerWaalsContact C-N 3.3Å; E124-R126 PolarHBondContact O-N 3.3Å
127P97.4Very high97.8Very high104 Ų10439.1 Ų39.168%0.67523%0.231SC*.  trans-67.3159.6176.930.2-35.1000111.5
128A98.4Very high97.7Very high35 Ų3540.6 Ų40.629%0.28924%0.239SC..  trans-64.1146.7173.200000111.4L120 E122L120-A128 CarbonylContact O-C 3.01Å; L120-A128 WeakPolarHBondContact O-CA 3.39Å; E122-A128 HydrophobicContact CB-CB 4.26Å
129V98.6Very high97.6Very high73 Ų7344.7 Ų44.744%0.44227%0.266SS..EExtended strand (participates in β ladder)trans-118.6112.4170-177.50000107.9P53 V119 L120P53-V129 HydrophobicContact CB-CB 4.28Å; P53-V129 HydrophobicContact CB-CG1 3.88Å; V119-V129 WeakPolarHBondContact CA-O 3.37Å; L120-V129 HydrophobicContact CB-CB 4.2Å; L120-V129 PolarHBondContact N-O 3.22Å; L120-V129 PolarHBondContact O-N 3.16Å
130N98.6Very high97.5Very high19 Ų1950.9 Ų50.910%0.10230%0.303CS..EExtended strand (participates in β ladder)trans-101105.5178.1-170.3-14.9000109.8V119 S132 Y149 S150 D155V119-N130 HydrophobicContact CG2-CB 4.31Å; N130-S132 WeakPolarHBondContact OD1-CB 3.35Å; N130-S132 PolarHBondContact OD1-N 3.22Å; N130-S132 PolarHBondContact OD1-OG 2.66Å; N130-Y149 WeakPolarHBondContact ND2-CD1 3.46Å; N130-S150 WeakPolarHBondContact O-CB 3.45Å; N130-D155 PolarHBondContact ND2-O 3.19Å
131G98.3Very high97.4Very high14 Ų1454.4 Ų54.414%0.14432%0.322CS..  trans-100.414174.400000113.6L118 Y133L118-G131 WeakPolarHBondContact CD1-O 3.43Å; L118-G131 WeakPolarHBondContact O-CA 3.43Å; L118-G131 PolarHBondContact O-N 2.98Å; G131-Y133 WeakPolarHBondContact O-CE2 3.48Å
132S98.8Very high97.3Very high1 Ų155.8 Ų55.81%0.00734%0.336CS..  trans-65157.9-172.6-49.20000112.1M116 P117 L118 V119 N130 Y149M116-S132 VanDerWaalsContact O-CA 3.29Å; M116-S132 WeakPolarHBondContact O-CA 3.42Å; M116-S132 VanDerWaalsContact O-CB 3.3Å; M116-S132 WeakPolarHBondContact O-CB 3.48Å; P117-S132 WeakPolarHBondContact CA-OG 3.43Å; L118-S132 PolarHBondContact N-OG 2.76Å; V119-S132 WeakPolarHBondContact CG2-OG 3.34Å; N130-S132 WeakPolarHBondContact OD1-CB 3.35Å; N130-S132 PolarHBondContact OD1-N 3.22Å; N130-S132 PolarHBondContact OD1-OG 2.66Å; S132-Y149 WeakPolarHBondContact O-CB 3.28Å; S132-Y149 PolarHBondContact O-N 2.92Å
133Y98.9Very high97.2Very high25 Ų2557.6 Ų57.610%0.09834%0.344CS..EExtended strand (participates in β ladder)trans-115.7159.1168-61.6-93.9000109.2M116 L118 G131 Q146 E147 K148 F274 R276M116-Y133 PolarHBondContact N-O 2.61Å; M116-Y133 PolarHBondContact O-N 3.39Å; M116-Y133 VanDerWaalsContact O-N 3.15Å; L118-Y133 HydrophobicContact CD1-CD2 4.14Å; L118-Y133 HydrophobicContact CD1-CE2 3.95Å; G131-Y133 WeakPolarHBondContact O-CE2 3.48Å; Y133-Q146 HydrophobicContact CD1-CG 4.3Å; Y133-E147 CarbonylContact C-O 3.58Å; Y133-E147 VanDerWaalsContact CA-O 3.27Å; Y133-E147 WeakPolarHBondContact CA-O 3.43Å; Y133-K148 HydrophobicContact CD1-CB 4.19Å; Y133-K148 HydrophobicContact CD1-CG 4.49Å; Y133-K148 HydrophobicContact CE1-CB 4.01Å; Y133-K148 HydrophobicContact CE1-CG 4.12Å; Y133-F274 HydrophobicContact CD1-CD2 4.48Å; Y133-F274 HydrophobicContact CD2-CB 4.06Å; Y133-F274 HydrophobicContact CD2-CD1 4.08Å; Y133-F274 AromaticContact CD2-CD2 3.42Å; Y133-F274 HydrophobicContact CD2-CD2 3.42Å; Y133-F274 VanDerWaalsContact CD2-CD2 3.42Å; Y133-F274 HydrophobicContact CD2-CE1 4.43Å; Y133-F274 AromaticContact CD2-CE2 3.82Å; Y133-F274 HydrophobicContact CD2-CE2 3.82Å; Y133-F274 AromaticContact CD2-CG 3.57Å; Y133-F274 HydrophobicContact CD2-CG 3.57Å; Y133-F274 HydrophobicContact CD2-CZ 4.3Å; Y133-F274 HydrophobicContact CE1-CD2 4.47Å; Y133-F274 AromaticContact CE2-CD2 3.43Å; Y133-F274 HydrophobicContact CE2-CD2 3.43Å; Y133-F274 VanDerWaalsContact CE2-CD2 3.43Å; Y133-F274 AromaticContact CE2-CE2 3.42Å; Y133-F274 HydrophobicContact CE2-CE2 3.42Å; Y133-F274 VanDerWaalsContact CE2-CE2 3.42Å; Y133-F274 HydrophobicContact CE2-CG 4.06Å; Y133-F274 HydrophobicContact CE2-CZ 4.04Å; Y133-F274 HydrophobicContact CG-CB 4.03Å; Y133-F274 HydrophobicContact CG-CD2 4.01Å; Y133-F274 HydrophobicContact CG-CG 4.05Å; Y133-R276 PolarHBondContact OH-NH1 3.35Å
134F98.8Very high97.3Very high1 Ų155.9 Ų55.90%0.00434%0.335CS..EExtended strand (participates in β ladder)trans-135.4148.7164.768.1-81.8000109.9M111 A113 E114 L115 Q146 E147 Y149 K152 F153M111-F134 HydrophobicContact CE-CD2 4.12Å; M111-F134 HydrophobicContact CE-CE2 3.48Å; M111-F134 VanDerWaalsContact CE-CE2 3.48Å; M111-F134 HydrophobicContact CE-CZ 4.46Å; A113-F134 HydrophobicContact CB-CB 4.49Å; A113-F134 HydrophobicContact CB-CD2 4.03Å; E114-F134 CarbonylContact O-C 3.39Å; E114-F134 WeakPolarHBondContact O-CA 3.41Å; E114-F134 WeakPolarHBondContact O-CB 3.46Å; L115-F134 HydrophobicContact CD1-CB 4.28Å; F134-Q146 WeakPolarHBondContact O-CA 3.33Å; F134-E147 HydrophobicContact CD1-CB 4.46Å; F134-E147 HydrophobicContact CE1-CB 3.76Å; F134-E147 HydrophobicContact CE2-CB 4.28Å; F134-E147 HydrophobicContact CZ-CB 3.66Å; F134-E147 HydrophobicContact CZ-CG 4.3Å; F134-E147 VanDerWaalsContact CZ-OE2 3.3Å; F134-E147 WeakPolarHBondContact CZ-OE2 3.26Å; F134-E147 PolarHBondContact N-O 2.95Å; F134-E147 PolarHBondContact O-N 3.06Å; F134-Y149 AromaticContact CD1-CD2 3.94Å; F134-Y149 HydrophobicContact CD1-CD2 3.94Å; F134-K152 HydrophobicContact CZ-CD 4.13Å; F134-F153 HydrophobicContact CE1-CE2 4.2Å; F134-F153 HydrophobicContact CZ-CE2 4.33Å
135S98.8Very high97.5Very high0 Ų049.3 Ų49.30%031%0.305CS..EExtended strand (participates in β ladder)trans-119.6132-179.7-78.50000110.8A113 E114 M116 L145 I222 G280A113-S135 WeakPolarHBondContact CA-O 3.32Å; A113-S135 VanDerWaalsContact CB-O 3.26Å; A113-S135 WeakPolarHBondContact CB-O 3.39Å; E114-S135 PolarHBondContact N-O 3.07Å; E114-S135 PolarHBondContact O-N 3.44Å; M116-S135 WeakPolarHBondContact CE-OG 3.49Å; S135-L145 WeakPolarHBondContact CA-O 3.38Å; S135-I222 WeakPolarHBondContact O-CG2 2.98Å; S135-G280 WeakPolarHBondContact CB-O 3.27Å; S135-G280 WeakPolarHBondContact OG-CA 3.37Å; S135-G280 PolarHBondContact OG-O 3.12Å
136S98.6Very high97.8Very high0 Ų046.4 Ų46.40%027%0.268CS..EExtended strand (participates in β ladder)trans-132.5168.8176.664.10000110.3L145S136-L145 PolarHBondContact N-O 3.41Å; S136-L145 PolarHBondContact O-N 3.46Å
137I98.4Very high97.9Very high28 Ų2844.4 Ų44.414%0.14426%0.263CS..EExtended strand (participates in β ladder)trans-83.8124.2173.5-54.5175.8000108.2P139 I222 R225 K243 F245I137-P139 WeakPolarHBondContact O-CD 3.34Å; I137-I222 HydrophobicContact CG1-CB 4.26Å; I137-I222 HydrophobicContact CG1-CG2 4.03Å; I137-R225 WeakPolarHBondContact O-CD 3.23Å; I137-K243 HydrophobicContact CD1-CB 3.44Å; I137-K243 VanDerWaalsContact CD1-CB 3.44Å; I137-K243 HydrophobicContact CD1-CG 3.95Å; I137-K243 HydrophobicContact CG1-CB 4.34Å; I137-F245 HydrophobicContact CG1-CE2 4.48Å; I137-F245 HydrophobicContact CG1-CZ 4.29Å
138N97.3Very high97.9Very high33 Ų3343.1 Ų43.118%0.17625%0.247CC..  trans-62121.9175.4-177-11000109.8V140 D141 G142 Q143 L145N138-V140 PolarHBondContact O-N 3.35Å; N138-V140 WeakPolarHBondContact OD1-CB 3.35Å; N138-V140 PolarHBondContact OD1-N 3.3Å; N138-D141 WeakPolarHBondContact CB-OD1 3.31Å; N138-D141 VanDerWaalsContact ND2-CG 3.34Å; N138-D141 PolarHBondContact ND2-OD1 2.84Å; N138-D141 PolarHBondContact ND2-OD2 3.42Å; N138-G142 VanDerWaalsContact O-CA 3.23Å; N138-G142 WeakPolarHBondContact O-CA 3.47Å; N138-G142 PolarHBondContact O-N 2.99Å; N138-Q143 WeakPolarHBondContact CB-O 3.25Å; N138-Q143 PolarHBondContact N-O 3.17Å; N138-L145 HydrophobicContact CB-CB 4.08Å
139P95.8Very high97.9Very high89 Ų8941.5 Ų41.558%0.57823%0.233SC*.THydrogen-bonded Turntrans-67.3-16.5-179.229.7-38.5000113.9I137I137-P139 WeakPolarHBondContact O-CD 3.34Å
140V96.9Very high97.9Very high129 Ų12940.2 Ų40.278%0.78223%0.228SC*.THydrogen-bonded Turntrans-83.8-47-176.3-179.10000111.8N138N138-V140 PolarHBondContact O-N 3.35Å; N138-V140 WeakPolarHBondContact OD1-CB 3.35Å; N138-V140 PolarHBondContact OD1-N 3.3Å
141D96.7Very high97.8Very high89 Ų8945 Ų4548%0.47625%0.253SS..THydrogen-bonded Turntrans-125.1-1.7-171.159.918.7000113.9N138 Q143N138-D141 WeakPolarHBondContact CB-OD1 3.31Å; N138-D141 VanDerWaalsContact ND2-CG 3.34Å; N138-D141 PolarHBondContact ND2-OD1 2.84Å; N138-D141 PolarHBondContact ND2-OD2 3.42Å; D141-Q143 HydrophobicContact CB-CG 4.24Å; D141-Q143 PolarHBondContact O-N 3.33Å; D141-Q143 VanDerWaalsContact OD1-CB 3.32Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.41Å; D141-Q143 WeakPolarHBondContact OD1-CG 3.3Å; D141-Q143 PolarHBondContact OD1-N 3.49Å
142G96.8Very high97.8Very high28 Ų2849.5 Ų49.529%0.28927%0.269SS..SBendtrans69.59.9-179.400000114.7N138 F245N138-G142 VanDerWaalsContact O-CA 3.23Å; N138-G142 WeakPolarHBondContact O-CA 3.47Å; N138-G142 PolarHBondContact O-N 2.99Å; G142-F245 VanDerWaalsContact O-CE1 3.26Å; G142-F245 WeakPolarHBondContact O-CE1 3.39Å
143Q96.8Very high97.8Very high113 Ų11351.5 Ų51.553%0.52828%0.277SS..  trans-81.6171.7178.5-58.7-56.6-50.500112N138 D141 L145N138-Q143 WeakPolarHBondContact CB-O 3.25Å; N138-Q143 PolarHBondContact N-O 3.17Å; D141-Q143 HydrophobicContact CB-CG 4.24Å; D141-Q143 PolarHBondContact O-N 3.33Å; D141-Q143 VanDerWaalsContact OD1-CB 3.32Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.41Å; D141-Q143 WeakPolarHBondContact OD1-CG 3.3Å; D141-Q143 PolarHBondContact OD1-N 3.49Å; Q143-L145 PolarHBondContact O-N 3.08Å
144C97.6Very high97.6Very high24 Ų2456.2 Ų56.216%0.16231%0.314CS..EExtended strand (participates in β ladder)trans-63.3129.3170.9178.80000110.6I222 G278 G280C144-I222 HydrophobicContact CB-CD1 3.9Å; C144-I222 VanDerWaalsContact SG-CD1 3.58Å; C144-G278 PolarHBondContact SG-O 3.03Å; C144-G280 PolarHBondContact SG-N 2.99Å; C144-G280 PolarHBondContact SG-O 2.99Å
145L97.8Very high97.6Very high56 Ų5657.9 Ų57.929%0.29332%0.323SS..EExtended strand (participates in β ladder)trans-118.6100.1169.3176.462.3000108.8S135 S136 N138 Q143 E147S135-L145 WeakPolarHBondContact CA-O 3.38Å; S136-L145 PolarHBondContact N-O 3.41Å; S136-L145 PolarHBondContact O-N 3.46Å; N138-L145 HydrophobicContact CB-CB 4.08Å; Q143-L145 PolarHBondContact O-N 3.08Å; L145-E147 HydrophobicContact CD1-CG 4.13Å; L145-E147 HydrophobicContact CG-CG 4.13Å
146Q98.3Very high97.6Very high24 Ų2458 Ų5811%0.11232%0.324CS..EExtended strand (participates in β ladder)trans-96.4133.6172.5-172.7-163.5-81.400111M116 Y133 F134 S275 G278 E279M116-Q146 HydrophobicContact CE-CG 4.21Å; Y133-Q146 HydrophobicContact CD1-CG 4.3Å; F134-Q146 WeakPolarHBondContact O-CA 3.33Å; Q146-S275 PolarHBondContact NE2-O 2.82Å; Q146-G278 WeakPolarHBondContact CB-O 3.42Å; Q146-G278 PolarHBondContact N-O 2.81Å; Q146-E279 PolarHBondContact OE1-O 3.22Å
147E98.2Very high97.6Very high47 Ų4759.2 Ų59.222%0.2233%0.33CS..EExtended strand (participates in β ladder)trans-133.7155178.7-58.2-177.198.700110.7Y133 F134 L145 K152Y133-E147 CarbonylContact C-O 3.58Å; Y133-E147 VanDerWaalsContact CA-O 3.27Å; Y133-E147 WeakPolarHBondContact CA-O 3.43Å; F134-E147 HydrophobicContact CD1-CB 4.46Å; F134-E147 HydrophobicContact CE1-CB 3.76Å; F134-E147 HydrophobicContact CE2-CB 4.28Å; F134-E147 HydrophobicContact CZ-CB 3.66Å; F134-E147 HydrophobicContact CZ-CG 4.3Å; F134-E147 VanDerWaalsContact CZ-OE2 3.3Å; F134-E147 WeakPolarHBondContact CZ-OE2 3.26Å; F134-E147 PolarHBondContact N-O 2.95Å; F134-E147 PolarHBondContact O-N 3.06Å; L145-E147 HydrophobicContact CD1-CG 4.13Å; L145-E147 HydrophobicContact CG-CG 4.13Å; E147-K152 WeakPolarHBondContact OE1-CE 3.29Å; E147-K152 IonicContact OE1-NZ 2.62Å; E147-K152 PolarHBondContact OE1-NZ 2.76Å; E147-K152 IonicContact OE2-NZ 2.67Å; E147-K152 PolarHBondContact OE2-NZ 3.34Å
148K98.3Very high97.6Very high78 Ų7857.9 Ų57.934%0.33932%0.323SS..EExtended strand (participates in β ladder)trans-81.7128.3173.6-167.8-178.9177.3-158.70109.2Y133 S150 D151Y133-K148 HydrophobicContact CD1-CB 4.19Å; Y133-K148 HydrophobicContact CD1-CG 4.49Å; Y133-K148 HydrophobicContact CE1-CB 4.01Å; Y133-K148 HydrophobicContact CE1-CG 4.12Å; K148-S150 VanDerWaalsContact C-N 3.33Å; K148-S150 WeakPolarHBondContact CD-OG 3.43Å; K148-S150 WeakPolarHBondContact CE-OG 3.39Å; K148-S150 PolarHBondContact NZ-OG 2.82Å; K148-S150 PolarHBondContact O-N 2.9Å; K148-D151 PolarHBondContact O-N 3.1Å
149Y98.5Very high97.6Very high1 Ų156.5 Ų56.50%0.00432%0.317CS..G310 helixtrans-60.6-43.4-174.6-168.7-92.7000112P105 T109 L115 N130 S132 F134 D151 K152 F153 D155P105-Y149 HydrophobicContact CG-CE2 4.18Å; P105-Y149 VanDerWaalsContact CG-OH 3.27Å; P105-Y149 WeakPolarHBondContact CG-OH 3.4Å; T109-Y149 HydrophobicContact CG2-CE2 4.12Å; L115-Y149 HydrophobicContact CD1-CD2 4.17Å; N130-Y149 WeakPolarHBondContact ND2-CD1 3.46Å; S132-Y149 WeakPolarHBondContact O-CB 3.28Å; S132-Y149 PolarHBondContact O-N 2.92Å; F134-Y149 AromaticContact CD1-CD2 3.94Å; F134-Y149 HydrophobicContact CD1-CD2 3.94Å; Y149-D151 PolarHBondContact O-N 2.78Å; Y149-D151 VanDerWaalsContact O-N 3.12Å; Y149-K152 PolarHBondContact O-N 3.05Å; Y149-K152 VanDerWaalsContact O-N 3.1Å; Y149-F153 HydrophobicContact CD1-CB 3.93Å; Y149-F153 HydrophobicContact CD1-CD2 4.42Å; Y149-F153 AromaticContact CD2-CD2 3.86Å; Y149-F153 HydrophobicContact CD2-CD2 3.86Å; Y149-F153 HydrophobicContact CE1-CB 3.44Å; Y149-F153 VanDerWaalsContact CE1-CB 3.44Å; Y149-F153 HydrophobicContact CE1-CD2 4.27Å; Y149-F153 HydrophobicContact CE1-CG 4.25Å; Y149-F153 HydrophobicContact CE2-CB 4.3Å; Y149-F153 AromaticContact CE2-CD2 3.65Å; Y149-F153 HydrophobicContact CE2-CD2 3.65Å; Y149-F153 HydrophobicContact CE2-CE2 4.38Å; Y149-F153 HydrophobicContact CE2-CG 4.24Å; Y149-F153 HydrophobicContact CG-CD2 4.24Å; Y149-F153 AromaticContact CZ-CD2 3.87Å; Y149-F153 AromaticContact CZ-CG 3.99Å; Y149-F153 PolarHBondContact O-N 2.79Å; Y149-D155 WeakPolarHBondContact CE1-O 3.49Å; Y149-D155 PolarHBondContact OH-OD1 2.76Å; Y149-D155 PolarHBondContact OH-OD2 2.81Å
150S97.3Very high97.7Very high46 Ų4652.4 Ų52.432%0.32229%0.29SS..G310 helixtrans-63-18.5-178.362.70000115.1N130 K148 K152 F153N130-S150 WeakPolarHBondContact O-CB 3.45Å; K148-S150 VanDerWaalsContact C-N 3.33Å; K148-S150 WeakPolarHBondContact CD-OG 3.43Å; K148-S150 WeakPolarHBondContact CE-OG 3.39Å; K148-S150 PolarHBondContact NZ-OG 2.82Å; K148-S150 PolarHBondContact O-N 2.9Å; S150-K152 PolarHBondContact O-N 3.15Å; S150-F153 WeakPolarHBondContact CA-O 3.24Å
151D97.8Very high97.8Very high120 Ų12046.9 Ų46.964%0.64226%0.256SS*.G310 helixtrans-78.7-14.4-179-62.5-2.6000111K148 Y149K148-D151 PolarHBondContact O-N 3.1Å; Y149-D151 PolarHBondContact O-N 2.78Å; Y149-D151 VanDerWaalsContact O-N 3.12Å
152K97.6Very high97.9Very high108 Ų10842.6 Ų42.647%0.4723%0.234SC..THydrogen-bonded Turntrans-122.1-32.1-179.4-65.4-170.2177.3-176.90114F134 E147 Y149 S150F134-K152 HydrophobicContact CZ-CD 4.13Å; E147-K152 WeakPolarHBondContact OE1-CE 3.29Å; E147-K152 IonicContact OE1-NZ 2.62Å; E147-K152 PolarHBondContact OE1-NZ 2.76Å; E147-K152 IonicContact OE2-NZ 2.67Å; E147-K152 PolarHBondContact OE2-NZ 3.34Å; Y149-K152 PolarHBondContact O-N 3.05Å; Y149-K152 VanDerWaalsContact O-N 3.1Å; S150-K152 PolarHBondContact O-N 3.15Å
153F97.9Very high98Very high43 Ų4341.6 Ų41.619%0.18922%0.222CC..  trans-135.6147.5-170.1-47.3-71.1000110.8I108 T109 F134 Y149 S150I108-F153 HydrophobicContact CG2-CD1 3.69Å; I108-F153 HydrophobicContact CG2-CE1 4.1Å; I108-F153 HydrophobicContact CG2-CG 4.19Å; T109-F153 HydrophobicContact CG2-CD2 4.4Å; T109-F153 HydrophobicContact CG2-CE2 3.83Å; T109-F153 HydrophobicContact CG2-CZ 4.07Å; F134-F153 HydrophobicContact CE1-CE2 4.2Å; F134-F153 HydrophobicContact CZ-CE2 4.33Å; Y149-F153 HydrophobicContact CD1-CB 3.93Å; Y149-F153 HydrophobicContact CD1-CD2 4.42Å; Y149-F153 AromaticContact CD2-CD2 3.86Å; Y149-F153 HydrophobicContact CD2-CD2 3.86Å; Y149-F153 HydrophobicContact CE1-CB 3.44Å; Y149-F153 VanDerWaalsContact CE1-CB 3.44Å; Y149-F153 HydrophobicContact CE1-CD2 4.27Å; Y149-F153 HydrophobicContact CE1-CG 4.25Å; Y149-F153 HydrophobicContact CE2-CB 4.3Å; Y149-F153 AromaticContact CE2-CD2 3.65Å; Y149-F153 HydrophobicContact CE2-CD2 3.65Å; Y149-F153 HydrophobicContact CE2-CE2 4.38Å; Y149-F153 HydrophobicContact CE2-CG 4.24Å; Y149-F153 HydrophobicContact CG-CD2 4.24Å; Y149-F153 AromaticContact CZ-CD2 3.87Å; Y149-F153 AromaticContact CZ-CG 3.99Å; Y149-F153 PolarHBondContact O-N 2.79Å; S150-F153 WeakPolarHBondContact CA-O 3.24Å
154S96.4Very high98.1Very high123 Ų12336.2 Ų36.286%0.8620%0.196SC*.  trans-108.8-8.7-176.357.40000114.3
155D97.4Very high98.2Very high36 Ų3635.1 Ų35.119%0.19319%0.189CC..SBendtrans-80.6-176178.165.585.4000112.5N130 Y149 N157N130-D155 PolarHBondContact ND2-O 3.19Å; Y149-D155 WeakPolarHBondContact CE1-O 3.49Å; Y149-D155 PolarHBondContact OH-OD1 2.76Å; Y149-D155 PolarHBondContact OH-OD2 2.81Å; D155-N157 WeakPolarHBondContact OD1-CB 3.39Å; D155-N157 PolarHBondContact OD1-N 2.99Å; D155-N157 PolarHBondContact OD1-ND2 2.79Å
156C98.3Very high98.2Very high3 Ų332.4 Ų32.42%0.0218%0.175CC..  trans-129.337.5177.2-63.50000110.3M84 V119M84-C156 HydrophobicContact CB-CB 4.15Å; M84-C156 HydrophobicContact CE-CB 4.49Å; M84-C156 WeakPolarHBondContact CE-O 3.35Å; M84-C156 PolarHBondContact N-O 3Å; V119-C156 HydrophobicContact CG1-CB 4.22Å
157N98.6Very high98.2Very high25 Ų2531.3 Ų31.313%0.13417%0.169CC..EExtended strand (participates in β ladder)trans-86.5157.4-175.2-63.6-38.7000112.7E81 Y82 N83 P105 I108 D155E81-N157 HydrophobicContact CG-CB 4.43Å; Y82-N157 CarbonylContact O-C 3.59Å; Y82-N157 WeakPolarHBondContact O-CA 3.24Å; Y82-N157 WeakPolarHBondContact O-CB 3.36Å; Y82-N157 PolarHBondContact O-OD1 2.59Å; N83-N157 WeakPolarHBondContact CB-OD1 3.25Å; N83-N157 PolarHBondContact ND2-OD1 2.94Å; P105-N157 HydrophobicContact CB-CB 3.89Å; P105-N157 HydrophobicContact CG-CB 3.99Å; P105-N157 WeakPolarHBondContact CG-O 2.96Å; I108-N157 HydrophobicContact CD1-CB 3.77Å; I108-N157 WeakPolarHBondContact CD1-ND2 3.38Å; D155-N157 WeakPolarHBondContact OD1-CB 3.39Å; D155-N157 PolarHBondContact OD1-N 2.99Å; D155-N157 PolarHBondContact OD1-ND2 2.79Å
158F98.8Very high98.3Very high0 Ų031.8 Ų31.80%017%0.172CC..EExtended strand (participates in β ladder)trans-144.6161167.465.5-88.6000109.3V66 Y82 M84 I87 A103 L115 A162 L164V66-F158 HydrophobicContact CB-CE2 3.92Å; V66-F158 HydrophobicContact CB-CZ 3.82Å; V66-F158 HydrophobicContact CG1-CE2 3.89Å; V66-F158 HydrophobicContact CG1-CZ 3.76Å; V66-F158 HydrophobicContact CG2-CZ 4.01Å; Y82-F158 AromaticContact CD2-CD2 3.82Å; Y82-F158 HydrophobicContact CD2-CD2 3.82Å; Y82-F158 AromaticContact CD2-CE2 3.36Å; Y82-F158 HydrophobicContact CD2-CE2 3.36Å; Y82-F158 AromaticContact CD2-CZ 3.97Å; Y82-F158 HydrophobicContact CD2-CZ 3.97Å; Y82-F158 HydrophobicContact CE2-CE2 4.27Å; Y82-F158 HydrophobicContact CG-CD2 4.45Å; Y82-F158 AromaticContact CG-CE2 3.79Å; Y82-F158 HydrophobicContact CG-CE2 3.79Å; Y82-F158 AromaticContact CG-CZ 3.89Å; Y82-F158 HydrophobicContact CG-CZ 3.89Å; Y82-F158 PolarHBondContact N-O 2.9Å; Y82-F158 PolarHBondContact O-N 2.94Å; M84-F158 HydrophobicContact CG-CD1 3.96Å; M84-F158 HydrophobicContact CG-CE1 3.95Å; I87-F158 HydrophobicContact CG1-CE1 4.13Å; I87-F158 HydrophobicContact CG1-CZ 4.26Å; A103-F158 WeakPolarHBondContact O-CB 3.45Å; L115-F158 HydrophobicContact CD2-CB 3.53Å; F158-A162 HydrophobicContact CD2-CB 3.51Å; F158-A162 HydrophobicContact CE1-CB 4.45Å; F158-A162 HydrophobicContact CE2-CB 3.31Å; F158-A162 HydrophobicContact CG-CB 4.17Å; F158-A162 HydrophobicContact CZ-CB 3.82Å; F158-L164 HydrophobicContact CE1-CD1 4.32Å; F158-L164 HydrophobicContact CZ-CD1 4.4Å
159G98.1Very high98.3Very high5 Ų528.5 Ų28.55%0.05216%0.16CC..EExtended strand (participates in β ladder)trans-116.3154.4-177.400000112.2K80 A103 L161K80-G159 WeakPolarHBondContact O-CA 3.36Å; A103-G159 WeakPolarHBondContact CB-O 3.4Å; A103-G159 PolarHBondContact O-N 2.89Å; G159-L161 PolarHBondContact O-N 2.8Å
160L98.4Very high98.3Very high3 Ų333.4 Ų33.42%0.01618%0.181CC..EExtended strand (participates in β ladder)trans64.7-56.9167.5-47.5177.3000116G67 G68 Y71 L72 Q77 K80 A103 F227G67-L160 WeakPolarHBondContact CA-O 3.25Å; G68-L160 PolarHBondContact N-O 3.1Å; G68-L160 VanDerWaalsContact N-O 3.1Å; Y71-L160 WeakPolarHBondContact CD2-O 3.33Å; L72-L160 HydrophobicContact CB-CD1 4.08Å; L72-L160 HydrophobicContact CD1-CD1 3.55Å; L72-L160 HydrophobicContact CG-CD1 4.39Å; Q77-L160 WeakPolarHBondContact O-CD2 3.37Å; K80-L160 HydrophobicContact CB-CD2 4.5Å; K80-L160 PolarHBondContact O-N 2.82Å; A103-L160 HydrophobicContact CB-CB 4.37Å; A103-L160 HydrophobicContact CB-CD1 4.43Å; L160-F227 HydrophobicContact CD1-CE1 3.69Å; L160-F227 HydrophobicContact CD1-CZ 3.9Å
161L98.7Very high98.4Very high12 Ų1235.2 Ų35.26%0.06319%0.192CC..EExtended strand (participates in β ladder)trans-154.6148.1-175.362.793.1000112.1V66 V69 L72 G102 A103 G159V66-L161 CarbonylContact O-C 3.33Å; V66-L161 VanDerWaalsContact O-CA 3.22Å; V66-L161 WeakPolarHBondContact O-CA 3.44Å; V69-L161 HydrophobicContact CB-CD2 4.45Å; V69-L161 HydrophobicContact CG2-CD2 3.99Å; L72-L161 HydrophobicContact CB-CD2 4.33Å; G102-L161 VanDerWaalsContact CA-O 3.27Å; G102-L161 WeakPolarHBondContact CA-O 3.23Å; A103-L161 PolarHBondContact N-O 2.94Å; A103-L161 VanDerWaalsContact N-O 3.1Å; G159-L161 PolarHBondContact O-N 2.8Å
162A98.8Very high98.4Very high0 Ų030.4 Ų30.40%017%0.17CC..EExtended strand (participates in β ladder)trans-153141.1161.800000112.1V66 A101 F158 L164V66-A162 PolarHBondContact N-O 2.92Å; V66-A162 PolarHBondContact O-N 3.1Å; A101-A162 CarbonylContact O-C 3.53Å; A101-A162 VanDerWaalsContact O-CA 3.29Å; A101-A162 WeakPolarHBondContact O-CA 3.47Å; F158-A162 HydrophobicContact CD2-CB 3.51Å; F158-A162 HydrophobicContact CE1-CB 4.45Å; F158-A162 HydrophobicContact CE2-CB 3.31Å; F158-A162 HydrophobicContact CG-CB 4.17Å; F158-A162 HydrophobicContact CZ-CB 3.82Å; A162-L164 HydrophobicContact CB-CD1 4.08Å; A162-L164 HydrophobicContact CB-CD2 3.9Å; A162-L164 HydrophobicContact CB-CG 3.85Å
163N98.9Very high98.5Very high7 Ų730.2 Ų30.24%0.03717%0.17CC..EExtended strand (participates in β ladder)trans-111.5111.3169.9-63.8100.8000107.8T64 D65 G100 A101 V256 H270T64-N163 WeakPolarHBondContact O-CA 3.25Å; D65-N163 PolarHBondContact OD2-ND2 2.89Å; G100-N163 WeakPolarHBondContact CA-O 3.35Å; A101-N163 PolarHBondContact N-O 2.95Å; A101-N163 PolarHBondContact O-N 2.8Å; N163-V256 HydrophobicContact CB-CB 4.33Å; N163-H270 HydrophobicContact CB-CB 3.86Å; N163-H270 PolarHBondContact OD1-ND1 2.88Å
164L98.9Very high98.5Very high0 Ų028.1 Ų28.10%016%0.161CC..EExtended strand (participates in β ladder)trans-125143.9-167.6-50.4168.8000111.3I63 T64 I98 L99 P117 F158 A162I63-L164 CarbonylContact C-O 3.52Å; I63-L164 WeakPolarHBondContact CA-O 3.29Å; T64-L164 HydrophobicContact CG2-CB 3.63Å; T64-L164 HydrophobicContact CG2-CD1 3.98Å; T64-L164 HydrophobicContact CG2-CG 4.18Å; T64-L164 PolarHBondContact N-O 2.69Å; T64-L164 PolarHBondContact O-N 2.93Å; I98-L164 HydrophobicContact CG2-CB 3.77Å; I98-L164 HydrophobicContact CG2-CD1 3.81Å; I98-L164 HydrophobicContact CG2-CD2 3.96Å; I98-L164 HydrophobicContact CG2-CG 4.06Å; L99-L164 CarbonylContact O-C 3.54Å; L99-L164 WeakPolarHBondContact O-CA 3.18Å; P117-L164 HydrophobicContact CB-CD2 4.02Å; P117-L164 HydrophobicContact CG-CD2 3.67Å; F158-L164 HydrophobicContact CE1-CD1 4.32Å; F158-L164 HydrophobicContact CZ-CD1 4.4Å; A162-L164 HydrophobicContact CB-CD1 4.08Å; A162-L164 HydrophobicContact CB-CD2 3.9Å; A162-L164 HydrophobicContact CB-CG 3.85Å
165Y98.9Very high98.6Very high0 Ų022.3 Ų22.30%012%0.12CC..EExtended strand (participates in β ladder)trans-102130.6163.9172.2-98.7000108.8L57 P61 I63 I98 L99 C167 L299L57-Y165 HydrophobicContact CB-CE1 4.33Å; L57-Y165 HydrophobicContact CD2-CE1 4.36Å; L57-Y165 PolarHBondContact O-OH 3.39Å; P61-Y165 HydrophobicContact CB-CE2 3.73Å; P61-Y165 WeakPolarHBondContact CB-OH 3.32Å; I63-Y165 HydrophobicContact CG2-CD2 4.24Å; I98-Y165 WeakPolarHBondContact CA-O 3.4Å; L99-Y165 HydrophobicContact CD1-CD1 4.27Å; L99-Y165 HydrophobicContact CD1-CG 4.48Å; L99-Y165 HydrophobicContact CD2-CD1 4.41Å; L99-Y165 HydrophobicContact CG-CD1 4.12Å; L99-Y165 PolarHBondContact N-O 2.92Å; L99-Y165 PolarHBondContact O-N 3.25Å; Y165-C167 HydrophobicContact CE1-CB 3.86Å; Y165-L299 WeakPolarHBondContact OH-CD1 3.05Å
166A98.9Very high98.7Very high0 Ų021.4 Ų21.40%011%0.114CC..EExtended strand (participates in β ladder)trans-124.2136.8-18000000111.6R62 L91 L93 A96 F97 I98R62-A166 HydrophobicContact CG-CB 3.95Å; R62-A166 PolarHBondContact N-O 2.97Å; R62-A166 PolarHBondContact O-N 2.88Å; L91-A166 HydrophobicContact CD1-CB 3.62Å; L93-A166 HydrophobicContact CD2-CB 4.48Å; A96-A166 HydrophobicContact CB-CB 4.38Å; F97-A166 CarbonylContact O-C 3.42Å; F97-A166 VanDerWaalsContact O-CA 3.3Å; F97-A166 WeakPolarHBondContact O-CA 3.45Å; I98-A166 HydrophobicContact CG1-CB 4.07Å
167C98.8Very high98.7Very high0 Ų021.3 Ų21.30%011%0.113CC..EExtended strand (participates in β ladder)trans-152.9-180176.768.80000111.6L57 G59 A96 F97 Y165 G169L57-C167 VanDerWaalsContact O-CB 3.29Å; L57-C167 WeakPolarHBondContact O-CB 3.36Å; L57-C167 PolarHBondContact O-SG 2.94Å; G59-C167 CarbonylContact O-C 3.58Å; G59-C167 WeakPolarHBondContact O-CA 3.41Å; G59-C167 WeakPolarHBondContact O-CB 3.41Å; A96-C167 CarbonylContact C-O 3.58Å; A96-C167 WeakPolarHBondContact CA-O 3.43Å; F97-C167 PolarHBondContact N-O 2.7Å; F97-C167 PolarHBondContact O-N 3Å; Y165-C167 HydrophobicContact CE1-CB 3.86Å; C167-G169 VanDerWaalsContact C-N 3.26Å; C167-G169 PolarHBondContact O-N 2.97Å; C167-G169 PolarHBondContact SG-N 3.16Å; C167-G169 VanDerWaalsContact SG-N 3.38Å
168E98.8Very high98.8Very high58 Ų5824 Ų2427%0.27112%0.122SC..  trans-80.4-3.6176.5-60.9176146.500113.3C58 G59 L93 K170C58-E168 PolarHBondContact O-N 3.14Å; G59-E168 WeakPolarHBondContact CA-OE2 3.12Å; G59-E168 PolarHBondContact O-N 3.31Å; L93-E168 HydrophobicContact CD1-CG 3.97Å; E168-K170 VanDerWaalsContact C-N 3.29Å; E168-K170 HydrophobicContact CB-CD 4.08Å; E168-K170 HydrophobicContact CB-CG 4.03Å; E168-K170 PolarHBondContact O-N 3.33Å; E168-K170 IonicContact OE1-NZ 2.76Å; E168-K170 WeakPolarHBondContact OE2-CD 3.44Å; E168-K170 WeakPolarHBondContact OE2-CE 3.27Å; E168-K170 IonicContact OE2-NZ 3.89Å; E168-K170 PolarHBondContact OE2-NZ 3.46Å
169G98.6Very high98.8Very high8 Ų824 Ų248%0.08212%0.122CC..  trans7120.2178.700000114.6G56 C58 C167G56-G169 PolarHBondContact N-O 3.08Å; G56-G169 CarbonylContact O-C 3.51Å; G56-G169 VanDerWaalsContact O-C 3.32Å; G56-G169 VanDerWaalsContact O-CA 3.26Å; G56-G169 WeakPolarHBondContact O-CA 3.35Å; C58-G169 PolarHBondContact O-N 2.79Å; C167-G169 VanDerWaalsContact C-N 3.26Å; C167-G169 PolarHBondContact O-N 2.97Å; C167-G169 PolarHBondContact SG-N 3.16Å; C167-G169 VanDerWaalsContact SG-N 3.38Å
170K98.7Very high98.8Very high105 Ų10526.9 Ų26.946%0.45713%0.133SC..BIsolated β-bridgetrans-82.9154.3-173.9-68.3176.2-179.7166.50111.8G56 L57 C58 E168G56-K170 CarbonylContact C-O 3.55Å; G56-K170 WeakPolarHBondContact CA-O 3.17Å; L57-K170 PolarHBondContact N-O 3.43Å; C58-K170 HydrophobicContact CB-CB 4.41Å; C58-K170 VanDerWaalsContact CB-O 3.24Å; C58-K170 WeakPolarHBondContact CB-O 3.33Å; C58-K170 PolarHBondContact N-O 2.91Å; C58-K170 PolarHBondContact O-N 3.07Å; E168-K170 VanDerWaalsContact C-N 3.29Å; E168-K170 HydrophobicContact CB-CD 4.08Å; E168-K170 HydrophobicContact CB-CG 4.03Å; E168-K170 PolarHBondContact O-N 3.33Å; E168-K170 IonicContact OE1-NZ 2.76Å; E168-K170 WeakPolarHBondContact OE2-CD 3.44Å; E168-K170 WeakPolarHBondContact OE2-CE 3.27Å; E168-K170 IonicContact OE2-NZ 3.89Å; E168-K170 PolarHBondContact OE2-NZ 3.46Å
171P98.8Very high98.8Very high83 Ų8332.3 Ų32.354%0.53915%0.153SC..  trans-59.7162.8160.6-19.132.1000111.7K55K55-P171 HydrophobicContact CB-CG 4.05Å; K55-P171 HydrophobicContact CD-CG 4.48Å
172G98.6Very high98.8Very high19 Ų1933.4 Ų33.420%0.19616%0.157CC..  trans149.9-172.3174.200000111.7C42 C58C42-G172 VanDerWaalsContact CB-O 3.26Å; C42-G172 WeakPolarHBondContact CB-O 3.13Å; C42-G172 PolarHBondContact N-O 3.45Å; C58-G172 VanDerWaalsContact SG-C 3.55Å
173K98.8Very high98.8Very high104 Ų10437.9 Ų37.945%0.45218%0.184SC..EExtended strand (participates in β ladder)trans-70.5136.4-179.8-65.7-59.2-165.3-165.40112.4L17 V39 V40 E41L17-K173 HydrophobicContact CD1-CB 3.86Å; V39-K173 HydrophobicContact CG1-CB 3.96Å; V39-K173 HydrophobicContact CG1-CD 4.23Å; V39-K173 HydrophobicContact CG1-CG 4.3Å; V40-K173 CarbonylContact O-C 3.51Å; V40-K173 VanDerWaalsContact O-CA 3.23Å; V40-K173 WeakPolarHBondContact O-CA 3.41Å; V40-K173 WeakPolarHBondContact O-CD 3.44Å; E41-K173 VanDerWaalsContact OE1-CD 3.23Å; E41-K173 WeakPolarHBondContact OE1-CD 3.28Å; E41-K173 WeakPolarHBondContact OE1-CE 3.44Å; E41-K173 IonicContact OE1-NZ 2.66Å; E41-K173 PolarHBondContact OE1-NZ 2.92Å
174V98.9Very high98.8Very high0 Ų038.5 Ų38.50%019%0.192CC..EExtended strand (participates in β ladder)trans-135.8163.4174.5-63.80000110.2V39 V40 C42 Y297 L299V39-V174 WeakPolarHBondContact CA-O 3.47Å; V40-V174 HydrophobicContact CG2-CG2 4.03Å; V40-V174 PolarHBondContact N-O 3.38Å; V40-V174 PolarHBondContact O-N 2.94Å; C42-V174 HydrophobicContact CB-CG1 3.78Å; C42-V174 HydrophobicContact CB-CG2 3.94Å; V174-Y297 HydrophobicContact CG2-CD1 3.78Å; V174-Y297 HydrophobicContact CG2-CG 4.43Å; V174-L299 HydrophobicContact CG1-CD1 4.04Å; V174-L299 HydrophobicContact CG1-CD2 4.32Å; V174-L299 HydrophobicContact CG1-CG 3.99Å
175I98.9Very high98.7Very high0 Ų043.1 Ų43.10%022%0.224CC..EExtended strand (participates in β ladder)trans-83.7114.8168.9-60169.4000107.8L17 L20 L24 V37 S38 V177 Y297 F298L17-I175 HydrophobicContact CB-CG1 4.4Å; L17-I175 HydrophobicContact CD2-CD1 4.17Å; L17-I175 HydrophobicContact CD2-CG1 4.09Å; L20-I175 HydrophobicContact CB-CD1 3.58Å; L20-I175 HydrophobicContact CD1-CD1 3.8Å; L20-I175 HydrophobicContact CG-CD1 4.35Å; L24-I175 HydrophobicContact CD1-CD1 4.14Å; L24-I175 HydrophobicContact CD1-CG2 4.12Å; V37-I175 HydrophobicContact CG1-CG2 3.56Å; S38-I175 CarbonylContact O-C 3.47Å; S38-I175 WeakPolarHBondContact O-CA 3.47Å; I175-V177 HydrophobicContact CG2-CG2 4Å; I175-Y297 VanDerWaalsContact O-CA 3.31Å; I175-Y297 WeakPolarHBondContact O-CA 3.46Å; I175-F298 PolarHBondContact N-O 2.84Å; I175-F298 PolarHBondContact O-N 2.96Å
176E98.9Very high98.7Very high18 Ų1844.3 Ų44.38%0.08423%0.23CC..EExtended strand (participates in β ladder)trans-86.4129.3166-177.5179.888.800109.4V37 S38 V40 R178 L295 G296 Y297V37-E176 VanDerWaalsContact CA-O 3.29Å; V37-E176 WeakPolarHBondContact CA-O 3.47Å; S38-E176 PolarHBondContact N-O 3.46Å; S38-E176 PolarHBondContact O-N 3.04Å; V40-E176 HydrophobicContact CG1-CB 4.27Å; V40-E176 HydrophobicContact CG2-CB 3.65Å; E176-R178 HydrophobicContact CG-CG 4.46Å; E176-R178 IonicContact OE1-CZ 3.79Å; E176-R178 IonicContact OE1-NE 2.68Å; E176-R178 PolarHBondContact OE1-NE 3.4Å; E176-R178 IonicContact OE1-NH2 2.92Å; E176-R178 PolarHBondContact OE1-NH2 3.26Å; E176-R178 IonicContact OE2-CZ 3.34Å; E176-R178 IonicContact OE2-NE 3.15Å; E176-R178 IonicContact OE2-NH2 3.44Å; E176-R178 PolarHBondContact OE2-NH2 3.48Å; E176-L295 HydrophobicContact CG-CD1 3.7Å; E176-G296 CarbonylContact C-O 3.53Å; E176-G296 VanDerWaalsContact CA-O 3.28Å; E176-G296 WeakPolarHBondContact CA-O 3.47Å; E176-Y297 HydrophobicContact CB-CD1 4.05Å; E176-Y297 HydrophobicContact CB-CE1 3.8Å; E176-Y297 HydrophobicContact CG-CD1 4.22Å; E176-Y297 HydrophobicContact CG-CE1 3.62Å; E176-Y297 WeakPolarHBondContact OE2-CE1 3.39Å; E176-Y297 PolarHBondContact OE2-OH 2.79Å
177V98.9Very high98.7Very high0 Ų044.5 Ų44.50%023%0.232CC..EExtended strand (participates in β ladder)trans-117.5120.3174.3176.80000109L28 V37 I175 L188 L192 L295 G296 F298L28-V177 HydrophobicContact CD1-CG1 3.44Å; L28-V177 VanDerWaalsContact CD1-CG1 3.44Å; V37-V177 HydrophobicContact CG1-CG2 4.29Å; V37-V177 HydrophobicContact CG2-CG2 4.31Å; I175-V177 HydrophobicContact CG2-CG2 4Å; V177-L188 HydrophobicContact CG1-CD1 4.18Å; V177-L192 HydrophobicContact CG2-CD2 4.44Å; V177-L295 CarbonylContact O-C 3.56Å; V177-L295 WeakPolarHBondContact O-CA 3.37Å; V177-G296 PolarHBondContact N-O 2.85Å; V177-G296 PolarHBondContact O-N 3Å; V177-F298 HydrophobicContact CB-CD2 4.46Å; V177-F298 HydrophobicContact CB-CE2 4.27Å; V177-F298 HydrophobicContact CG2-CD2 3.98Å; V177-F298 HydrophobicContact CG2-CE2 4.2Å
178R98.9Very high98.7Very high83 Ų8344.5 Ų44.531%0.31323%0.232SC..EExtended strand (participates in β ladder)trans-112.2124.5166.8-65.4172-175.5-85.2-9.7107.9V35 Q36 E176 Y294 L295V35-R178 CarbonylContact C-O 3.53Å; V35-R178 WeakPolarHBondContact CA-O 3.43Å; Q36-R178 HydrophobicContact CB-CB 4.26Å; Q36-R178 PolarHBondContact N-O 3.38Å; Q36-R178 PolarHBondContact O-N 3.01Å; E176-R178 HydrophobicContact CG-CG 4.46Å; E176-R178 IonicContact OE1-CZ 3.79Å; E176-R178 IonicContact OE1-NE 2.68Å; E176-R178 PolarHBondContact OE1-NE 3.4Å; E176-R178 IonicContact OE1-NH2 2.92Å; E176-R178 PolarHBondContact OE1-NH2 3.26Å; E176-R178 IonicContact OE2-CZ 3.34Å; E176-R178 IonicContact OE2-NE 3.15Å; E176-R178 IonicContact OE2-NH2 3.44Å; E176-R178 PolarHBondContact OE2-NH2 3.48Å; R178-Y294 WeakPolarHBondContact CA-O 3.44Å; R178-L295 HydrophobicContact CG-CD1 3.76Å
179A98.9Very high98.7Very high0 Ų041.8 Ų41.80%022%0.219CC..EExtended strand (participates in β ladder)trans-138.5129.2177.900000109F32 E34 L188 Y294F32-A179 HydrophobicContact CB-CB 4.31Å; F32-A179 HydrophobicContact CD1-CB 3.92Å; F32-A179 HydrophobicContact CD2-CB 4.13Å; F32-A179 HydrophobicContact CE1-CB 4.28Å; F32-A179 HydrophobicContact CE2-CB 4.48Å; F32-A179 HydrophobicContact CG-CB 3.85Å; E34-A179 CarbonylContact O-C 3.53Å; E34-A179 WeakPolarHBondContact O-CA 3.33Å; A179-L188 HydrophobicContact CB-CD1 4.14Å; A179-Y294 HydrophobicContact CB-CD2 4.49Å; A179-Y294 PolarHBondContact N-O 3.39Å; A179-Y294 VanDerWaalsContact N-O 3.17Å; A179-Y294 WeakPolarHBondContact O-CB 3.4Å; A179-Y294 PolarHBondContact O-N 3.02Å
180K98.9Very high98.7Very high65 Ų6542.6 Ų42.628%0.28322%0.222SC..EExtended strand (participates in β ladder)trans-129.5151.5178.7-45.9-176.2179-155.90110.5A33 E34 V292 E293A33-K180 PolarHBondContact N-O 3.32Å; E34-K180 HydrophobicContact CB-CB 4.15Å; E34-K180 PolarHBondContact N-O 3.11Å; E34-K180 PolarHBondContact O-N 3.1Å; K180-V292 WeakPolarHBondContact CA-O 3.33Å; K180-E293 HydrophobicContact CB-CG 4.24Å; K180-E293 HydrophobicContact CD-CG 3.87Å; K180-E293 VanDerWaalsContact CE-OE2 3.24Å; K180-E293 WeakPolarHBondContact CE-OE2 3.24Å; K180-E293 HydrophobicContact CG-CB 4.28Å; K180-E293 HydrophobicContact CG-CG 3.91Å; K180-E293 IonicContact NZ-OE1 2.67Å; K180-E293 IonicContact NZ-OE2 3.73Å; K180-E293 PolarHBondContact NZ-OE2 2.68Å
181R98.8Very high98.7Very high116 Ų11637.6 Ų37.644%0.43820%0.201SC..EExtended strand (participates in β ladder)trans55.988173.7-56.7-179.551.8-146.5-8.4112F32 A33 T183 P289 D290 V292F32-R181 WeakPolarHBondContact CA-O 3.42Å; A33-R181 HydrophobicContact CB-CB 4.02Å; A33-R181 PolarHBondContact N-O 3.2Å; R181-T183 PolarHBondContact O-N 3.43Å; R181-P289 CarbonylContact C-O 3.37Å; R181-P289 WeakPolarHBondContact CA-O 3.45Å; R181-D290 WeakPolarHBondContact CG-O 3.34Å; R181-V292 PolarHBondContact N-O 3.3Å
182R98.8Very high98.7Very high36 Ų3633.7 Ų33.714%0.13618%0.175CC..EExtended strand (participates in β ladder)trans-68.5117.8-179.7-174.2174.449.482.5-3.4110.2N31 F32 G184 N186 D286 P289 V292N31-R182 CarbonylContact O-C 3.53Å; N31-R182 WeakPolarHBondContact O-CA 3.49Å; N31-R182 WeakPolarHBondContact O-CG 3.27Å; F32-R182 HydrophobicContact CD1-CB 3.92Å; F32-R182 HydrophobicContact CD1-CG 4.38Å; F32-R182 HydrophobicContact CE1-CB 3.62Å; F32-R182 HydrophobicContact CE1-CG 3.94Å; F32-R182 HydrophobicContact CZ-CB 4.34Å; F32-R182 HydrophobicContact CZ-CG 4.17Å; R182-G184 WeakPolarHBondContact CG-O 3.42Å; R182-G184 PolarHBondContact NH1-O 3.04Å; R182-N186 WeakPolarHBondContact CD-O 3.22Å; R182-D286 WeakPolarHBondContact CD-OD1 3.29Å; R182-D286 IonicContact CZ-OD1 3.53Å; R182-D286 IonicContact CZ-OD2 3.71Å; R182-D286 VanDerWaalsContact CZ-OD2 3.28Å; R182-D286 IonicContact NE-OD1 2.68Å; R182-D286 PolarHBondContact NE-OD1 3.16Å; R182-D286 IonicContact NE-OD2 3.5Å; R182-D286 PolarHBondContact NE-OD2 3.34Å; R182-D286 PolarHBondContact NH2-O 2.73Å; R182-D286 VanDerWaalsContact NH2-O 3.09Å; R182-D286 IonicContact NH2-OD1 3.86Å; R182-D286 IonicContact NH2-OD2 3.52Å; R182-D286 PolarHBondContact NH2-OD2 2.9Å; R182-P289 HydrophobicContact CB-CB 4.04Å; R182-P289 PolarHBondContact N-O 2.89Å; R182-P289 WeakPolarHBondContact O-CB 3.46Å; R182-V292 HydrophobicContact CB-CG1 4.19Å
183T98.7Very high98.7Very high94 Ų9434.1 Ų34.158%0.57717%0.171SC*.  trans-101.9-21.2177.853.20000112.6N31 F32 A33 R181N31-T183 VanDerWaalsContact C-OG1 3.26Å; N31-T183 PolarHBondContact O-N 3.32Å; N31-T183 PolarHBondContact O-OG1 3.4Å; F32-T183 PolarHBondContact N-OG1 2.8Å; A33-T183 HydrophobicContact CB-CG2 3.81Å; R181-T183 PolarHBondContact O-N 3.43Å
184G98.1Very high98.7Very high19 Ų1933.4 Ų33.420%0.19617%0.168CC..SBendtrans-98-178.6177.800000113.8N31 R182N31-G184 PolarHBondContact O-N 3.38Å; R182-G184 WeakPolarHBondContact CG-O 3.42Å; R182-G184 PolarHBondContact NH1-O 3.04Å
185S97.8Very high98.7Very high97 Ų9734.2 Ų34.268%0.67817%0.173SC*.SBendtrans-87.7-16.6-17961.40000114.1
186N98.5Very high98.7Very high25 Ų2534.3 Ų34.313%0.13417%0.173CC..SBendtrans-85.5140.9-175.4-61-49.3000111.4N31 R182 T190 A191 K194N31-N186 WeakPolarHBondContact OD1-CB 3.26Å; N31-N186 PolarHBondContact OD1-N 3.04Å; N31-N186 PolarHBondContact OD1-ND2 3.02Å; N31-N186 VanDerWaalsContact OD1-ND2 3.1Å; R182-N186 WeakPolarHBondContact CD-O 3.22Å; N186-T190 HydrophobicContact CB-CG2 4.01Å; N186-A191 HydrophobicContact CB-CB 4.06Å; N186-K194 PolarHBondContact OD1-NZ 2.77Å
187S98.6Very high98.7Very high4 Ų436.8 Ų36.83%0.02819%0.185CC..  trans-60.3167.6164.578.80000110.8V189 T190 A191 Y284S187-V189 VanDerWaalsContact C-N 3.28Å; S187-V189 PolarHBondContact O-N 2.79Å; S187-V189 PolarHBondContact OG-N 2.96Å; S187-T190 PolarHBondContact O-N 2.77Å; S187-T190 WeakPolarHBondContact OG-CB 3.49Å; S187-T190 PolarHBondContact OG-N 3.17Å; S187-T190 VanDerWaalsContact OG-N 3.07Å; S187-T190 PolarHBondContact OG-OG1 2.69Å; S187-A191 VanDerWaalsContact O-CB 3.25Å; S187-A191 WeakPolarHBondContact O-CB 3.48Å; S187-A191 PolarHBondContact O-N 3.5Å; S187-Y284 WeakPolarHBondContact CB-O 3.35Å
188L98.8Very high98.6Very high0 Ų040.7 Ų40.70%022%0.217CC..Hα-helixtrans-54.2-47.7174.7177.467.4000111.2L28 F32 V177 A179 A191 L192 F211 Y294L28-L188 HydrophobicContact CD2-CD1 3.92Å; F32-L188 HydrophobicContact CE2-CD1 4.38Å; F32-L188 HydrophobicContact CZ-CB 4.31Å; F32-L188 HydrophobicContact CZ-CD1 4.43Å; V177-L188 HydrophobicContact CG1-CD1 4.18Å; A179-L188 HydrophobicContact CB-CD1 4.14Å; L188-A191 PolarHBondContact O-N 3.46Å; L188-L192 HydrophobicContact CG-CD1 4.26Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.39Å; L188-L192 PolarHBondContact O-N 3.23Å; L188-F211 HydrophobicContact CD2-CB 4.38Å; L188-F211 HydrophobicContact CD2-CD1 4.35Å; L188-F211 HydrophobicContact CD2-CD2 3.93Å; L188-F211 HydrophobicContact CD2-CE2 4.26Å; L188-F211 HydrophobicContact CD2-CG 3.97Å; L188-Y294 HydrophobicContact CB-CD1 4.38Å; L188-Y294 HydrophobicContact CB-CD2 4.42Å; L188-Y294 HydrophobicContact CB-CE1 4.26Å; L188-Y294 HydrophobicContact CB-CE2 4.31Å; L188-Y294 HydrophobicContact CB-CG 4.44Å; L188-Y294 HydrophobicContact CD2-CD1 3.73Å; L188-Y294 HydrophobicContact CD2-CE1 4.33Å; L188-Y294 HydrophobicContact CD2-CG 3.83Å
189V98.7Very high98.6Very high1 Ų141.9 Ų41.91%0.00623%0.226CC..Hα-helixtrans-67.5-44.6-175.7-179.70000110.8S187 A191 L192 R193 F211 L257 E269 Y283S187-V189 VanDerWaalsContact C-N 3.28Å; S187-V189 PolarHBondContact O-N 2.79Å; S187-V189 PolarHBondContact OG-N 2.96Å; V189-A191 VanDerWaalsContact C-N 3.33Å; V189-A191 PolarHBondContact O-N 2.97Å; V189-L192 PolarHBondContact O-N 3.09Å; V189-R193 PolarHBondContact O-N 3.32Å; V189-F211 HydrophobicContact CG2-CE1 3.74Å; V189-F211 HydrophobicContact CG2-CZ 4.09Å; V189-L257 HydrophobicContact CG1-CB 4.22Å; V189-L257 HydrophobicContact CG1-CD2 3.92Å; V189-E269 HydrophobicContact CG1-CB 4.24Å; V189-E269 HydrophobicContact CG1-CG 4.23Å; V189-Y283 HydrophobicContact CG2-CE1 4.18Å
190T98.8Very high98.5Very high25 Ų2542.6 Ų42.615%0.15323%0.229CC..Hα-helixtrans-64.6-38.5176.5-540000111.7N186 S187 R193 K194 E269N186-T190 HydrophobicContact CB-CG2 4.01Å; S187-T190 PolarHBondContact O-N 2.77Å; S187-T190 WeakPolarHBondContact OG-CB 3.49Å; S187-T190 PolarHBondContact OG-N 3.17Å; S187-T190 VanDerWaalsContact OG-N 3.07Å; S187-T190 PolarHBondContact OG-OG1 2.69Å; T190-R193 PolarHBondContact O-N 2.81Å; T190-K194 HydrophobicContact CG2-CD 3.85Å; T190-K194 HydrophobicContact CG2-CG 4.21Å; T190-K194 WeakPolarHBondContact O-CB 3.42Å; T190-K194 WeakPolarHBondContact O-CG 3.39Å; T190-K194 PolarHBondContact O-N 3.25Å; T190-E269 WeakPolarHBondContact CA-OE1 3.33Å; T190-E269 VanDerWaalsContact CA-OE2 3.29Å; T190-E269 WeakPolarHBondContact CA-OE2 3.23Å; T190-E269 WeakPolarHBondContact CB-OE2 3.34Å; T190-E269 PolarHBondContact N-OE2 3.21Å; T190-E269 PolarHBondContact OG1-OE2 2.8Å
191A98.8Very high98.4Very high1 Ų142.7 Ų42.71%0.00824%0.236CC..Hα-helixtrans-64.7-44.5176.200000111.3L28 N31 F32 N186 S187 L188 V189 T195L28-A191 HydrophobicContact CD2-CB 3.81Å; N31-A191 HydrophobicContact CB-CB 4.32Å; F32-A191 HydrophobicContact CE2-CB 4.34Å; N186-A191 HydrophobicContact CB-CB 4.06Å; S187-A191 VanDerWaalsContact O-CB 3.25Å; S187-A191 WeakPolarHBondContact O-CB 3.48Å; S187-A191 PolarHBondContact O-N 3.5Å; L188-A191 PolarHBondContact O-N 3.46Å; V189-A191 VanDerWaalsContact C-N 3.33Å; V189-A191 PolarHBondContact O-N 2.97Å; A191-T195 VanDerWaalsContact O-CB 3.26Å; A191-T195 WeakPolarHBondContact O-CB 3.22Å; A191-T195 PolarHBondContact O-N 3.08Å; A191-T195 PolarHBondContact O-OG1 3.15Å
192L98.8Very high98.3Very high0 Ų044.5 Ų44.50%026%0.255CS..Hα-helixtrans-58.5-50.7173.6-69.4171000111.2L24 L28 V177 L188 V189 T195 L196 L257 F298L24-L192 HydrophobicContact CD1-CD2 4.25Å; L24-L192 HydrophobicContact CD2-CD2 3.79Å; L24-L192 HydrophobicContact CG-CD2 4.41Å; L28-L192 HydrophobicContact CD1-CD2 3.93Å; L28-L192 HydrophobicContact CD2-CD2 4.14Å; L28-L192 HydrophobicContact CD2-CG 4.34Å; L28-L192 HydrophobicContact CG-CD2 4.24Å; V177-L192 HydrophobicContact CG2-CD2 4.44Å; L188-L192 HydrophobicContact CG-CD1 4.26Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.39Å; L188-L192 PolarHBondContact O-N 3.23Å; V189-L192 PolarHBondContact O-N 3.09Å; L192-T195 PolarHBondContact O-N 2.9Å; L192-L196 WeakPolarHBondContact O-CG 3.25Å; L192-L196 PolarHBondContact O-N 3.48Å; L192-L257 HydrophobicContact CB-CD2 3.86Å; L192-L257 HydrophobicContact CD1-CD2 4.35Å; L192-F298 HydrophobicContact CD1-CD2 4.46Å; L192-F298 HydrophobicContact CD1-CE1 4.4Å; L192-F298 HydrophobicContact CD1-CE2 3.95Å; L192-F298 HydrophobicContact CD1-CZ 3.91Å
193R98.8Very high98.2Very high29 Ų2947.1 Ų47.111%0.10927%0.267CS..Hα-helixtrans-61.3-52.8-178.4-170.8-162.660.776.61.2112.1V189 T190 T195 L196 E197 L257 V258 S259 E269V189-R193 PolarHBondContact O-N 3.32Å; T190-R193 PolarHBondContact O-N 2.81Å; R193-T195 PolarHBondContact O-N 3.02Å; R193-L196 PolarHBondContact O-N 3Å; R193-L196 VanDerWaalsContact O-N 3.15Å; R193-E197 IonicContact CZ-OE2 3.28Å; R193-E197 IonicContact NH1-OE1 3.25Å; R193-E197 IonicContact NH1-OE2 3.84Å; R193-E197 PolarHBondContact NH1-OE2 3.11Å; R193-E197 IonicContact NH2-OE2 2.79Å; R193-E197 PolarHBondContact O-N 3.5Å; R193-L257 HydrophobicContact CB-CB 4.46Å; R193-L257 HydrophobicContact CB-CD1 4.08Å; R193-L257 HydrophobicContact CG-CD1 4.31Å; R193-V258 WeakPolarHBondContact CD-O 3.47Å; R193-V258 VanDerWaalsContact CG-O 3.32Å; R193-V258 WeakPolarHBondContact CG-O 3.14Å; R193-S259 PolarHBondContact NH1-O 2.95Å; R193-E269 HydrophobicContact CB-CG 4.33Å; R193-E269 WeakPolarHBondContact CD-OE1 3.44Å; R193-E269 HydrophobicContact CG-CG 4.45Å; R193-E269 IonicContact CZ-OE1 3.07Å; R193-E269 IonicContact NE-OE1 3.76Å; R193-E269 PolarHBondContact NE-OE1 2.9Å; R193-E269 IonicContact NH2-OE1 3.95Å
194K98.7Very high98.2Very high88 Ų8843.6 Ų43.638%0.38325%0.246SC..Hα-helixtrans-62.8-32.9-178.5-73.2-177-179.51720112.3N186 T190 E197 A198N186-K194 PolarHBondContact OD1-NZ 2.77Å; T190-K194 HydrophobicContact CG2-CD 3.85Å; T190-K194 HydrophobicContact CG2-CG 4.21Å; T190-K194 WeakPolarHBondContact O-CB 3.42Å; T190-K194 WeakPolarHBondContact O-CG 3.39Å; T190-K194 PolarHBondContact O-N 3.25Å; K194-E197 PolarHBondContact O-N 2.97Å; K194-A198 WeakPolarHBondContact O-CB 3.43Å; K194-A198 PolarHBondContact O-N 2.83Å
195T98.8Very high98.2Very high18 Ų1842.9 Ų42.911%0.1124%0.238CC..Hα-helixtrans-62.2-47.1174.1-61.90000111.3V23 L24 G27 A191 L192 R193 A198 Q199V23-T195 HydrophobicContact CG1-CG2 3.85Å; V23-T195 VanDerWaalsContact O-CG2 3.27Å; V23-T195 WeakPolarHBondContact O-CG2 3.31Å; L24-T195 HydrophobicContact CD2-CG2 4.29Å; G27-T195 VanDerWaalsContact CA-OG1 3.32Å; G27-T195 WeakPolarHBondContact CA-OG1 3.37Å; A191-T195 VanDerWaalsContact O-CB 3.26Å; A191-T195 WeakPolarHBondContact O-CB 3.22Å; A191-T195 PolarHBondContact O-N 3.08Å; A191-T195 PolarHBondContact O-OG1 3.15Å; L192-T195 PolarHBondContact O-N 2.9Å; R193-T195 PolarHBondContact O-N 3.02Å; T195-A198 PolarHBondContact O-N 3.35Å; T195-Q199 WeakPolarHBondContact O-CB 3.49Å; T195-Q199 PolarHBondContact O-N 3.43Å
196L98.6Very high98.2Very high1 Ų138.2 Ų38.21%0.00521%0.205CC..Hα-helixtrans-66.8-40.9178.1-63.8173.3000112L20 V23 L24 L192 R193 Q199 Y200 L205 L207 L257L20-L196 HydrophobicContact CD2-CD2 3.7Å; V23-L196 HydrophobicContact CG1-CD2 4.45Å; L24-L196 HydrophobicContact CD2-CD2 3.86Å; L24-L196 HydrophobicContact CD2-CG 4.07Å; L192-L196 WeakPolarHBondContact O-CG 3.25Å; L192-L196 PolarHBondContact O-N 3.48Å; R193-L196 PolarHBondContact O-N 3Å; R193-L196 VanDerWaalsContact O-N 3.15Å; L196-Q199 PolarHBondContact O-N 3.19Å; L196-Y200 HydrophobicContact CD2-CE2 4.35Å; L196-Y200 WeakPolarHBondContact O-CD2 3.4Å; L196-Y200 PolarHBondContact O-N 3.31Å; L196-L205 HydrophobicContact CD2-CD2 4.27Å; L196-L207 HydrophobicContact CD1-CD1 3.74Å; L196-L207 HydrophobicContact CD1-CD2 4.41Å; L196-L207 HydrophobicContact CD1-CG 3.7Å; L196-L257 HydrophobicContact CD1-CD1 4.05Å
197E98.4Very high98.2Very high71 Ų7137.1 Ų37.133%0.33220%0.2SC..Hα-helixtrans-59.7-45.6176.2-178.4177.3-147.800111.6R193 K194 Y200 P201R193-E197 IonicContact CZ-OE2 3.28Å; R193-E197 IonicContact NH1-OE1 3.25Å; R193-E197 IonicContact NH1-OE2 3.84Å; R193-E197 PolarHBondContact NH1-OE2 3.11Å; R193-E197 IonicContact NH2-OE2 2.79Å; R193-E197 PolarHBondContact O-N 3.5Å; K194-E197 PolarHBondContact O-N 2.97Å; E197-Y200 CarbonylContact O-C 3.39Å; E197-P201 WeakPolarHBondContact O-CA 3.4Å
198A98.4Very high98.2Very high81 Ų8137 Ų3767%0.66920%0.198SC*.Hα-helixtrans-67.7-39.2179.300000112.7K194 T195K194-A198 WeakPolarHBondContact O-CB 3.43Å; K194-A198 PolarHBondContact O-N 2.83Å; T195-A198 PolarHBondContact O-N 3.35Å
199Q98.3Very high98.2Very high108 Ų10837 Ų3751%0.50520%0.198SC..Hα-helixtrans-74.1-32.6-178.5-17762.527.100112.9V23 T195 L196V23-Q199 HydrophobicContact CB-CG 4.43Å; V23-Q199 HydrophobicContact CG1-CB 3.8Å; V23-Q199 HydrophobicContact CG1-CG 3.74Å; V23-Q199 HydrophobicContact CG2-CG 3.77Å; T195-Q199 WeakPolarHBondContact O-CB 3.49Å; T195-Q199 PolarHBondContact O-N 3.43Å; L196-Q199 PolarHBondContact O-N 3.19Å
200Y97.6Very high98.2Very high15 Ų1536.9 Ų36.96%0.05920%0.198CC..  trans-128.467-175.3-53.5-82.9000111.1H13 P15 E19 L20 V23 L196 E197 D202 K203 L205H13-Y200 AromaticContact CD2-CD1 3.97Å; H13-Y200 AromaticContact NE2-CE1 3.94Å; P15-Y200 HydrophobicContact CG-CE1 4.09Å; P15-Y200 HydrophobicContact CG-CE2 4.2Å; E19-Y200 PolarHBondContact OE1-OH 2.91Å; L20-Y200 HydrophobicContact CD2-CE2 4.35Å; V23-Y200 HydrophobicContact CG1-CE2 4.38Å; L196-Y200 HydrophobicContact CD2-CE2 4.35Å; L196-Y200 WeakPolarHBondContact O-CD2 3.4Å; L196-Y200 PolarHBondContact O-N 3.31Å; E197-Y200 CarbonylContact O-C 3.39Å; Y200-D202 PolarHBondContact O-N 2.76Å; Y200-D202 VanDerWaalsContact O-N 3.13Å; Y200-K203 HydrophobicContact CD1-CD 4.43Å; Y200-K203 PolarHBondContact O-N 2.86Å; Y200-K203 VanDerWaalsContact O-N 3.12Å; Y200-K203 VanDerWaalsContact O-O 3.09Å; Y200-L205 VanDerWaalsContact CB-CD1 3.46Å; Y200-L205 HydrophobicContact CD2-CD1 3.84Å; Y200-L205 HydrophobicContact CD2-CD2 3.58Å; Y200-L205 HydrophobicContact CD2-CG 4.4Å; Y200-L205 HydrophobicContact CE2-CD2 3.76Å; Y200-L205 HydrophobicContact CG-CD1 3.77Å; Y200-L205 HydrophobicContact CG-CD2 4.15Å
201P95.8Very high98.3Very high67 Ų6735.7 Ų35.744%0.43519%0.191SC..THydrogen-bonded Turntrans-61.6-29.4-168.723.6-35000114.3E197 R260E197-P201 WeakPolarHBondContact O-CA 3.4Å; P201-R260 PolarHBondContact O-NE 2.8Å; P201-R260 VanDerWaalsContact O-NE 3.1Å
202D96.5Very high98.3Very high154 Ų15436 Ų3682%0.82419%0.192SC*.THydrogen-bonded Turntrans-100.97.1-176.3-54.8-51.1000113.4Y200Y200-D202 PolarHBondContact O-N 2.76Å; Y200-D202 VanDerWaalsContact O-N 3.13Å
203K97.3Very high98.3Very high92 Ų9236.1 Ų36.140%0.419%0.193SC..SBendtrans-128139.4-177.3-53.9-178.6-175.7168.40110.7H13 Y200 L205H13-K203 HydrophobicContact CB-CB 3.86Å; H13-K203 HydrophobicContact CB-CD 3.98Å; H13-K203 HydrophobicContact CB-CG 4.45Å; H13-K203 WeakPolarHBondContact CD2-CD 3.38Å; H13-K203 PolarHBondContact CE1-NZ 2.96Å; H13-K203 VanDerWaalsContact CE1-NZ 3.32Å; H13-K203 VanDerWaalsContact CG-CD 3.45Å; H13-K203 WeakPolarHBondContact NE2-CD 3.31Å; H13-K203 PolarHBondContact NE2-NZ 3.1Å; Y200-K203 HydrophobicContact CD1-CD 4.43Å; Y200-K203 PolarHBondContact O-N 2.86Å; Y200-K203 VanDerWaalsContact O-N 3.12Å; Y200-K203 VanDerWaalsContact O-O 3.09Å; K203-L205 HydrophobicContact CB-CD1 3.93Å; K203-L205 WeakPolarHBondContact O-CD1 3.5Å
204S97.9Very high98.3Very high19 Ų1938.4 Ų38.413%0.13320%0.204CC..  trans-87.9121.2169.5-67.90000109.9H13 R260H13-S204 PolarHBondContact N-O 2.71Å; S204-R260 WeakPolarHBondContact CB-O 3.39Å; S204-R260 PolarHBondContact OG-O 2.82Å
205L98.2Very high98.3Very high4 Ų439.6 Ų39.62%0.02121%0.21CC..  trans-118.6151.9173.8-65.482.7000108H13 P15 L20 L196 Y200 K203 V258 S259H13-L205 HydrophobicContact CB-CD1 4.22Å; H13-L205 HydrophobicContact CB-CG 4.07Å; H13-L205 WeakPolarHBondContact O-CG 3.44Å; P15-L205 HydrophobicContact CG-CD2 3.68Å; L20-L205 HydrophobicContact CD2-CD2 4.38Å; L196-L205 HydrophobicContact CD2-CD2 4.27Å; Y200-L205 VanDerWaalsContact CB-CD1 3.46Å; Y200-L205 HydrophobicContact CD2-CD1 3.84Å; Y200-L205 HydrophobicContact CD2-CD2 3.58Å; Y200-L205 HydrophobicContact CD2-CG 4.4Å; Y200-L205 HydrophobicContact CE2-CD2 3.76Å; Y200-L205 HydrophobicContact CG-CD1 3.77Å; Y200-L205 HydrophobicContact CG-CD2 4.15Å; K203-L205 HydrophobicContact CB-CD1 3.93Å; K203-L205 WeakPolarHBondContact O-CD1 3.5Å; L205-V258 CarbonylContact O-C 3.55Å; L205-V258 WeakPolarHBondContact O-CA 3.26Å; L205-V258 WeakPolarHBondContact O-CG1 3.46Å; L205-S259 PolarHBondContact N-OG 3.31Å; L205-S259 PolarHBondContact O-N 3.28Å; L205-S259 PolarHBondContact O-OG 3.25Å
206A98.6Very high98.3Very high0 Ų039.6 Ų39.60%021%0.214CC..EExtended strand (participates in β ladder)trans-136.2144.4169.600000110.5L12 I63 L257 V258 P300 A301L12-A206 HydrophobicContact CD1-CB 3.58Å; I63-A206 HydrophobicContact CD1-CB 3.45Å; I63-A206 VanDerWaalsContact CD1-CB 3.45Å; I63-A206 HydrophobicContact CG1-CB 3.93Å; I63-A206 HydrophobicContact CG2-CB 4.34Å; A206-L257 CarbonylContact C-O 3.51Å; A206-L257 WeakPolarHBondContact CA-O 3.44Å; A206-L257 VanDerWaalsContact CB-O 3.22Å; A206-L257 WeakPolarHBondContact CB-O 3.19Å; A206-V258 HydrophobicContact CB-CB 4.46Å; A206-V258 HydrophobicContact CB-CG1 4.46Å; A206-V258 HydrophobicContact CB-CG2 3.98Å; A206-P300 VanDerWaalsContact O-CA 3.32Å; A206-P300 WeakPolarHBondContact O-CA 3.5Å; A206-A301 HydrophobicContact CB-CB 4.21Å; A206-A301 PolarHBondContact O-N 3.07Å
207L98.6Very high98.3Very high2 Ų243.1 Ų43.11%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-113.9141.7168.7-61.4-178.2000109.1L24 L196 L257 L299 P300L24-L207 HydrophobicContact CD1-CD1 4.22Å; L196-L207 HydrophobicContact CD1-CD1 3.74Å; L196-L207 HydrophobicContact CD1-CD2 4.41Å; L196-L207 HydrophobicContact CD1-CG 3.7Å; L207-L257 HydrophobicContact CB-CD1 3.93Å; L207-L257 HydrophobicContact CB-CD2 4.3Å; L207-L257 HydrophobicContact CB-CG 3.95Å; L207-L257 HydrophobicContact CD1-CD1 4.45Å; L207-L257 HydrophobicContact CG-CD1 4.14Å; L207-L257 PolarHBondContact N-O 3.37Å; L207-L257 PolarHBondContact O-N 2.96Å; L207-L299 WeakPolarHBondContact CA-O 3.35Å; L207-P300 HydrophobicContact CD2-CB 4.17Å
208G98.8Very high98.3Very high0 Ų039.8 Ų39.80%021%0.214CC..EExtended strand (participates in β ladder)trans-132.8154.4166.300000110.8S255 F298 L299G208-S255 WeakPolarHBondContact CA-O 3.48Å; G208-F298 WeakPolarHBondContact O-CA 3.33Å; G208-L299 PolarHBondContact N-O 3.31Å; G208-L299 VanDerWaalsContact N-O 3.12Å; G208-L299 PolarHBondContact O-N 2.79Å
209G98.7Very high98.3Very high0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans160.6-158.4178.300000113.5L99 S255 Y297L99-G209 VanDerWaalsContact CD1-O 3.31Å; L99-G209 WeakPolarHBondContact CD1-O 3.26Å; G209-S255 PolarHBondContact N-O 3.18Å; G209-S255 VanDerWaalsContact N-O 3.15Å; G209-S255 PolarHBondContact O-N 2.8Å; G209-Y297 WeakPolarHBondContact CA-O 3.37Å
210T98.9Very high98.3Very high0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-128.7147.4-179.5179.80000110.5F50 F52 L57 C253 G296 Y297F50-T210 HydrophobicContact CD1-CG2 4.11Å; F50-T210 HydrophobicContact CE1-CG2 3.83Å; F50-T210 HydrophobicContact CZ-CG2 4.43Å; F52-T210 HydrophobicContact CE2-CG2 3.75Å; F52-T210 HydrophobicContact CZ-CG2 3.99Å; L57-T210 HydrophobicContact CD1-CG2 4.26Å; T210-C253 CarbonylContact C-O 3.47Å; T210-C253 VanDerWaalsContact CA-O 3.23Å; T210-C253 WeakPolarHBondContact CA-O 3.2Å; T210-C253 PolarHBondContact OG1-O 2.82Å; T210-G296 CarbonylContact O-C 3.55Å; T210-G296 WeakPolarHBondContact O-CA 3.45Å; T210-Y297 PolarHBondContact N-O 2.95Å; T210-Y297 VanDerWaalsContact N-O 3.1Å; T210-Y297 PolarHBondContact O-N 3.04Å
211F98.9Very high98.4Very high0 Ų034.7 Ų34.70%018%0.175CC..EExtended strand (participates in β ladder)trans-139.5154.3167.169.4-91000111.1L188 V189 I213 C253 T271 Y283 Y294 L295 G296 F298L188-F211 HydrophobicContact CD2-CB 4.38Å; L188-F211 HydrophobicContact CD2-CD1 4.35Å; L188-F211 HydrophobicContact CD2-CD2 3.93Å; L188-F211 HydrophobicContact CD2-CE2 4.26Å; L188-F211 HydrophobicContact CD2-CG 3.97Å; V189-F211 HydrophobicContact CG2-CE1 3.74Å; V189-F211 HydrophobicContact CG2-CZ 4.09Å; F211-I213 HydrophobicContact CD2-CG1 4.41Å; F211-I213 HydrophobicContact CE2-CD1 4.49Å; F211-I213 HydrophobicContact CE2-CG1 4Å; F211-C253 HydrophobicContact CD1-CB 3.83Å; F211-C253 HydrophobicContact CD2-CB 3.88Å; F211-C253 HydrophobicContact CE1-CB 3.45Å; F211-C253 VanDerWaalsContact CE1-CB 3.45Å; F211-C253 HydrophobicContact CE2-CB 3.49Å; F211-C253 VanDerWaalsContact CE2-CB 3.49Å; F211-C253 VanDerWaalsContact CE2-SG 3.6Å; F211-C253 HydrophobicContact CG-CB 4.05Å; F211-C253 HydrophobicContact CZ-CB 3.26Å; F211-C253 PolarHBondContact N-O 3.44Å; F211-C253 WeakPolarHBondContact O-CA 3.39Å; F211-C253 PolarHBondContact O-N 2.83Å; F211-T271 HydrophobicContact CE1-CG2 3.72Å; F211-T271 HydrophobicContact CZ-CG2 3.9Å; F211-Y283 HydrophobicContact CZ-CE1 4.37Å; F211-Y294 AromaticContact CD2-CD1 3.86Å; F211-Y294 HydrophobicContact CD2-CD1 3.86Å; F211-Y294 HydrophobicContact CD2-CE1 4.29Å; F211-Y294 AromaticContact CE2-CD1 3.93Å; F211-Y294 HydrophobicContact CE2-CD1 3.93Å; F211-Y294 AromaticContact CE2-CE1 3.88Å; F211-Y294 HydrophobicContact CE2-CE1 3.88Å; F211-L295 CarbonylContact C-O 3.55Å; F211-L295 VanDerWaalsContact CA-O 3.25Å; F211-L295 WeakPolarHBondContact CA-O 3.41Å; F211-L295 WeakPolarHBondContact CB-O 3.49Å; F211-G296 VanDerWaalsContact CB-CA 3.44Å; F211-F298 HydrophobicContact CB-CZ 4Å; F211-F298 HydrophobicContact CD1-CE1 4.35Å; F211-F298 AromaticContact CD1-CZ 3.9Å; F211-F298 HydrophobicContact CD1-CZ 3.9Å; F211-F298 HydrophobicContact CG-CZ 4.34Å
212I98.9Very high98.5Very high8 Ų831.5 Ų31.54%0.04115%0.154CC..EExtended strand (participates in β ladder)trans-111.9131.9173.5-178.6168.4000109.4P49 Q214 P250 L251 I252 Y294 L295P49-I212 HydrophobicContact CB-CD1 3.76Å; P49-I212 HydrophobicContact CG-CD1 3.61Å; I212-Q214 HydrophobicContact CG1-CG 4.33Å; I212-Q214 HydrophobicContact CG2-CG 3.77Å; I212-Q214 PolarHBondContact O-N 2.88Å; I212-P250 HydrophobicContact CD1-CB 3.91Å; I212-P250 HydrophobicContact CG1-CB 4.42Å; I212-L251 CarbonylContact C-O 3.6Å; I212-L251 WeakPolarHBondContact CA-O 3.3Å; I212-I252 HydrophobicContact CD1-CG1 4.32Å; I212-I252 HydrophobicContact CG1-CG1 4.49Å; I212-Y294 WeakPolarHBondContact O-CA 3.08Å; I212-L295 HydrophobicContact CG2-CB 3.84Å; I212-L295 HydrophobicContact CG2-CD2 4.42Å; I212-L295 HydrophobicContact CG2-CG 4.35Å; I212-L295 WeakPolarHBondContact CG2-O 3.27Å; I212-L295 PolarHBondContact N-O 2.84Å; I212-L295 PolarHBondContact O-N 2.88Å
213I98.9Very high98.6Very high2 Ų224.5 Ų24.51%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-79.1102.6160.7-46.9-170.1000105.8F211 K215 A218 A249 P250 L251 Y283 V292 E293 Y294F211-I213 HydrophobicContact CD2-CG1 4.41Å; F211-I213 HydrophobicContact CE2-CD1 4.49Å; F211-I213 HydrophobicContact CE2-CG1 4Å; I213-K215 VanDerWaalsContact CG2-O 3.27Å; I213-K215 WeakPolarHBondContact CG2-O 3.32Å; I213-A218 HydrophobicContact CD1-CB 3.68Å; I213-A249 HydrophobicContact CG2-CB 4.2Å; I213-A249 VanDerWaalsContact O-CB 3.28Å; I213-A249 WeakPolarHBondContact O-CB 3.46Å; I213-P250 VanDerWaalsContact O-CA 3.29Å; I213-P250 WeakPolarHBondContact O-CA 3.29Å; I213-L251 HydrophobicContact CB-CB 4.26Å; I213-L251 HydrophobicContact CD1-CB 4.41Å; I213-L251 HydrophobicContact CD1-CD2 4.06Å; I213-L251 HydrophobicContact CG1-CB 4.32Å; I213-L251 PolarHBondContact N-O 3.02Å; I213-L251 PolarHBondContact O-N 2.84Å; I213-Y283 HydrophobicContact CD1-CD2 4.3Å; I213-Y283 HydrophobicContact CD1-CE2 3.99Å; I213-V292 HydrophobicContact CG2-CG2 3.96Å; I213-E293 CarbonylContact C-O 3.54Å; I213-Y294 HydrophobicContact CB-CE1 4.48Å; I213-Y294 HydrophobicContact CD1-CE1 3.95Å; I213-Y294 HydrophobicContact CG1-CD1 4.04Å; I213-Y294 HydrophobicContact CG1-CE1 3.68Å; I213-Y294 HydrophobicContact CG2-CE1 4.44Å
214Q98.8Very high98.7Very high76 Ų7621.2 Ų21.236%0.35511%0.105SC..EExtended strand (participates in β ladder)trans-79.1-31.7-175.8-58.1-172-69.900112.1I212 E293 L295I212-Q214 HydrophobicContact CG1-CG 4.33Å; I212-Q214 HydrophobicContact CG2-CG 3.77Å; I212-Q214 PolarHBondContact O-N 2.88Å; Q214-E293 HydrophobicContact CB-CB 4.22Å; Q214-E293 PolarHBondContact N-O 2.91Å; Q214-L295 HydrophobicContact CG-CB 4.18Å
215K98.8Very high98.6Very high113 Ų11324.4 Ų24.449%0.49111%0.114SC..EExtended strand (participates in β ladder)trans-143.4156.5175.4-63.1-169.5-166.1158.20110.6I213 V292 E293I213-K215 VanDerWaalsContact CG2-O 3.27Å; I213-K215 WeakPolarHBondContact CG2-O 3.32Å; K215-V292 WeakPolarHBondContact O-CA 3.44Å; K215-E293 HydrophobicContact CB-CB 4.14Å; K215-E293 HydrophobicContact CB-CG 4.14Å; K215-E293 HydrophobicContact CD-CG 4.22Å; K215-E293 VanDerWaalsContact CD-OE1 3.25Å; K215-E293 WeakPolarHBondContact CD-OE1 3.41Å; K215-E293 WeakPolarHBondContact CE-OE1 3.48Å; K215-E293 HydrophobicContact CG-CB 4.43Å; K215-E293 HydrophobicContact CG-CG 4.33Å; K215-E293 IonicContact NZ-OE1 2.71Å; K215-E293 PolarHBondContact NZ-OE1 2.67Å; K215-E293 PolarHBondContact O-N 3.17Å
216G98.6Very high98.6Very high19 Ų1930.9 Ų30.920%0.19614%0.144CC..SBendtrans95.5-162.1-179.900000112.6A249 T288G216-A249 VanDerWaalsContact O-CB 3.27Å; G216-A249 WeakPolarHBondContact O-CB 3.48Å; G216-A249 PolarHBondContact O-N 3.15Å; G216-T288 WeakPolarHBondContact CA-OG1 3.2Å
217K98.8Very high98.6Very high75 Ų7533 Ų3333%0.32615%0.153SC..EExtended strand (participates in β ladder)trans-137.4161-179.7-57.9-176.1174.1-179.10111.1E246 A247 D286 T287 T288K217-E246 HydrophobicContact CB-CG 3.8Å; K217-E246 HydrophobicContact CD-CG 3.73Å; K217-E246 WeakPolarHBondContact CD-OE2 3.34Å; K217-E246 WeakPolarHBondContact CE-OE2 3.17Å; K217-E246 HydrophobicContact CG-CG 4.42Å; K217-E246 IonicContact NZ-OE2 2.73Å; K217-E246 PolarHBondContact NZ-OE2 2.92Å; K217-A247 CarbonylContact C-O 3.52Å; K217-A247 WeakPolarHBondContact CA-O 3.43Å; K217-A247 WeakPolarHBondContact CB-O 3.45Å; K217-D286 CarbonylContact O-C 3.6Å; K217-D286 WeakPolarHBondContact O-CA 3.26Å; K217-D286 WeakPolarHBondContact O-CB 3.38Å; K217-T287 WeakPolarHBondContact CB-OG1 3Å; K217-T287 PolarHBondContact O-N 3.15Å; K217-T288 HydrophobicContact CB-CG2 4.02Å; K217-T288 HydrophobicContact CD-CG2 4.36Å; K217-T288 HydrophobicContact CG-CG2 4.08Å; K217-T288 PolarHBondContact N-OG1 2.94Å
218A98.7Very high98.5Very high1 Ų133.9 Ų33.91%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-131.5141.3178.400000112.6I213 I220 E246 A247 L251 Y283 I285I213-A218 HydrophobicContact CD1-CB 3.68Å; A218-I220 PolarHBondContact O-N 3Å; A218-E246 CarbonylContact O-C 3.58Å; A218-E246 WeakPolarHBondContact O-CA 3.38Å; A218-A247 PolarHBondContact N-O 2.72Å; A218-A247 PolarHBondContact O-N 2.76Å; A218-L251 HydrophobicContact CB-CD2 4.35Å; A218-Y283 HydrophobicContact CB-CD2 3.86Å; A218-Y283 HydrophobicContact CB-CE2 3.92Å; A218-I285 CarbonylContact C-O 3.52Å; A218-I285 WeakPolarHBondContact CA-O 3.43Å
219K98.8Very high98.3Very high82 Ų8238.9 Ų38.936%0.35720%0.201SC..EExtended strand (participates in β ladder)trans-72.1122.3165.7-178.8-177.8174.1-170.20107.5H244 F245 Y284 I285 T287K219-H244 WeakPolarHBondContact CE-CD2 3.36Å; K219-F245 WeakPolarHBondContact CA-O 3.34Å; K219-Y284 HydrophobicContact CD-CD2 4.35Å; K219-Y284 HydrophobicContact CD-CG 4.48Å; K219-Y284 HydrophobicContact CG-CD2 4.1Å; K219-Y284 PolarHBondContact O-N 3.43Å; K219-I285 HydrophobicContact CB-CG2 4.46Å; K219-I285 PolarHBondContact N-O 2.86Å; K219-T287 HydrophobicContact CB-CG2 3.8Å
220I98.8Very high98.2Very high1 Ų142.5 Ų42.51%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-124.7163.3172.465.5165.1000110.9A218 H244 F245 A247 L251 G280 H282A218-I220 PolarHBondContact O-N 3Å; I220-H244 CarbonylContact O-C 3.38Å; I220-H244 WeakPolarHBondContact O-CA 3.36Å; I220-F245 HydrophobicContact CD1-CB 4.31Å; I220-F245 HydrophobicContact CG1-CB 3.84Å; I220-F245 PolarHBondContact N-O 2.89Å; I220-F245 PolarHBondContact O-N 2.92Å; I220-A247 HydrophobicContact CD1-CB 3.83Å; I220-A247 HydrophobicContact CG1-CB 4.13Å; I220-A247 HydrophobicContact CG2-CB 4.22Å; I220-L251 HydrophobicContact CG2-CD2 4.47Å; I220-G280 WeakPolarHBondContact CD1-O 3.46Å; I220-H282 CarbonylContact C-O 3.55Å; I220-H282 WeakPolarHBondContact CA-O 3.14Å; I220-H282 WeakPolarHBondContact CB-O 3.46Å
221H98.7Very high98.2Very high13 Ų1345.4 Ų45.46%0.0625%0.245CC..EExtended strand (participates in β ladder)trans-121.6161160.375.2-107.6000112.5E114 L242 K243 H282 Y284E114-H221 IonicContact OE1-CD2 2.79Å; E114-H221 IonicContact OE1-NE2 2.99Å; H221-L242 HydrophobicContact CB-CB 4.38Å; H221-K243 CarbonylContact C-O 3.56Å; H221-K243 VanDerWaalsContact CA-O 3.23Å; H221-K243 WeakPolarHBondContact CA-O 3.49Å; H221-K243 WeakPolarHBondContact CB-O 3.18Å; H221-H282 WeakPolarHBondContact CE1-CB 3.48Å; H221-H282 AromaticContact CE1-CD2 3.23Å; H221-H282 PolarHBondContact CE1-CD2 2.61Å; H221-H282 AromaticContact CE1-CE1 3.96Å; H221-H282 AromaticContact CE1-CG 3.09Å; H221-H282 AromaticContact CE1-ND1 3.59Å; H221-H282 AromaticContact CE1-NE2 3.81Å; H221-H282 PolarHBondContact N-O 3.14Å; H221-H282 AromaticContact ND1-CD2 3.32Å; H221-H282 PolarHBondContact ND1-CD2 3.27Å; H221-H282 VanDerWaalsContact ND1-CD2 3.32Å; H221-H282 AromaticContact ND1-CG 3.48Å; H221-H282 WeakPolarHBondContact NE2-CB 3.26Å; H221-H282 AromaticContact NE2-CG 3.66Å; H221-H282 PolarHBondContact O-N 3.43Å; H221-Y284 HydrophobicContact CB-CE2 3.83Å; H221-Y284 AromaticContact CG-CE2 3.84Å; H221-Y284 AromaticContact ND1-CE2 3.13Å; H221-Y284 WeakPolarHBondContact ND1-CE2 3.49Å; H221-Y284 AromaticContact ND1-CZ 3.2Å; H221-Y284 PolarHBondContact ND1-OH 3.28Å
222I98.8Very high98.1Very high0 Ų046.1 Ų46.10%025%0.248CC..EExtended strand (participates in β ladder)trans-132.9130.2165.4-55.5171.7000106.6E114 S135 I137 C144 K243 F245E114-I222 HydrophobicContact CG-CB 4.42Å; E114-I222 HydrophobicContact CG-CG2 4.26Å; S135-I222 WeakPolarHBondContact O-CG2 2.98Å; I137-I222 HydrophobicContact CG1-CB 4.26Å; I137-I222 HydrophobicContact CG1-CG2 4.03Å; C144-I222 HydrophobicContact CB-CD1 3.9Å; C144-I222 VanDerWaalsContact SG-CD1 3.58Å; I222-K243 PolarHBondContact N-O 3.19Å; I222-K243 PolarHBondContact O-N 3.5Å; I222-K243 VanDerWaalsContact O-N 3.15Å; I222-F245 HydrophobicContact CB-CE2 3.98Å; I222-F245 HydrophobicContact CD1-CD2 4.07Å; I222-F245 HydrophobicContact CD1-CE2 3.8Å; I222-F245 HydrophobicContact CD1-CZ 4.45Å; I222-F245 HydrophobicContact CG1-CD2 4.12Å; I222-F245 HydrophobicContact CG1-CE2 3.96Å
223M98.5Very high98.1Very high7 Ų750 Ų503%0.03427%0.269CS..  trans-61.6143.2171.3-69.5178.2-75.600111.6L72 A103 N112 E114 W241 L242L72-M223 HydrophobicContact CD1-SD 3.95Å; L72-M223 HydrophobicContact CD2-SD 3.64Å; L72-M223 HydrophobicContact CG-SD 4.46Å; A103-M223 HydrophobicContact CB-CE 4.21Å; N112-M223 WeakPolarHBondContact ND2-CB 3.46Å; N112-M223 PolarHBondContact ND2-SD 2.91Å; N112-M223 VanDerWaalsContact OD1-CE 3.32Å; N112-M223 WeakPolarHBondContact OD1-CE 3.13Å; E114-M223 WeakPolarHBondContact OE1-CE 2.97Å; E114-M223 VanDerWaalsContact OE1-CG 3.22Å; E114-M223 WeakPolarHBondContact OE1-CG 3.34Å; E114-M223 PolarHBondContact OE1-N 3.18Å; E114-M223 WeakPolarHBondContact OE2-CE 3.18Å; M223-W241 HydrophobicContact CB-CH2 3.64Å; M223-W241 HydrophobicContact CB-CZ2 4.3Å; M223-W241 HydrophobicContact CB-CZ3 4.08Å; M223-W241 HydrophobicContact CG-CH2 3.54Å; M223-W241 HydrophobicContact CG-CZ3 3.59Å; M223-W241 HydrophobicContact SD-CH2 3.71Å; M223-W241 HydrophobicContact SD-CZ3 3.99Å; M223-L242 HydrophobicContact CB-CD2 4.32Å; M223-L242 HydrophobicContact CG-CD2 3.59Å
224P98.1Very high98Very high24 Ų2452.9 Ų52.916%0.15629%0.287CS..  trans-51.7147.3168.6-28.636.1000113.1N112 E226 W241N112-P224 WeakPolarHBondContact CB-O 3.47Å; N112-P224 PolarHBondContact ND2-O 2.76Å; P224-E226 PolarHBondContact O-N 2.92Å; P224-W241 HydrophobicContact CB-CZ2 4.37Å; P224-W241 WeakPolarHBondContact CD-O 3.38Å; P224-W241 HydrophobicContact CG-CD2 4.18Å; P224-W241 HydrophobicContact CG-CG 4.26Å; P224-W241 HydrophobicContact CG-CZ2 4.22Å; P224-W241 WeakPolarHBondContact CG-O 3.27Å
225R97.6Very high97.9Very high86 Ų8652.3 Ų52.333%0.32529%0.286SS..SBendtrans-60.4-32.9-177.3-63.2-176.479.4-169.31.5112.2M111 N112 I137M111-R225 HydrophobicContact CB-CB 4.26Å; M111-R225 HydrophobicContact SD-CG 4.41Å; M111-R225 PolarHBondContact SD-NE 3.49Å; M111-R225 PolarHBondContact SD-NH2 2.92Å; N112-R225 WeakPolarHBondContact CB-O 3.06Å; N112-R225 PolarHBondContact N-O 2.94Å; I137-R225 WeakPolarHBondContact O-CD 3.23Å
226E97.3Very high97.9Very high139 Ų13952.5 Ų52.565%0.6529%0.293SS*.SBendtrans-99135.7171.5-56.975.6-16300110.3P224P224-E226 PolarHBondContact O-N 2.92Å
227F97.9Very high97.9Very high45 Ų4555.2 Ų55.220%0.19730%0.3CS..PPolyproline II helixtrans-65.2155170.2-62.2-74.2000111.3L72 P76 T78 N112 L160 A229L72-F227 HydrophobicContact CD1-CD1 3.81Å; L72-F227 HydrophobicContact CD1-CE1 3.64Å; P76-F227 HydrophobicContact CB-CB 4.16Å; P76-F227 HydrophobicContact CB-CD1 3.83Å; P76-F227 HydrophobicContact CB-CD2 4.22Å; P76-F227 HydrophobicContact CB-CE1 4.25Å; P76-F227 HydrophobicContact CB-CG 3.81Å; P76-F227 HydrophobicContact CG-CB 3.61Å; P76-F227 HydrophobicContact CG-CD1 4.25Å; P76-F227 HydrophobicContact CG-CD2 4.21Å; P76-F227 HydrophobicContact CG-CG 3.78Å; T78-F227 HydrophobicContact CG2-CD2 3.98Å; T78-F227 HydrophobicContact CG2-CE2 3.63Å; T78-F227 HydrophobicContact CG2-CZ 4.3Å; N112-F227 HydrophobicContact CB-CD1 4.21Å; N112-F227 HydrophobicContact CB-CE1 3.78Å; N112-F227 HydrophobicContact CB-CE2 4.15Å; N112-F227 HydrophobicContact CB-CZ 3.75Å; N112-F227 WeakPolarHBondContact ND2-CE1 3.32Å; N112-F227 WeakPolarHBondContact OD1-CE1 3.48Å; L160-F227 HydrophobicContact CD1-CE1 3.69Å; L160-F227 HydrophobicContact CD1-CZ 3.9Å; F227-A229 PolarHBondContact O-N 2.95Å
228S96.8Very high97.8Very high20 Ų2052.2 Ų52.214%0.1429%0.288CS..PPolyproline II helixtrans-57.9131.4173.1-173.50000111.2C230S228-C230 VanDerWaalsContact C-N 3.32Å; S228-C230 WeakPolarHBondContact CB-O 3.38Å; S228-C230 PolarHBondContact OG-N 3.18Å; S228-C230 PolarHBondContact OG-O 3.21Å; S228-C230 PolarHBondContact OG-SG 3.2Å
229A95.6Very high97.7Very high106 Ų10654.6 Ų54.688%0.87630%0.301SS*.SBendtrans-78.8-18.9172.700000112.4F227F227-A229 PolarHBondContact O-N 2.95Å
230C96.8Very high97.6Very high76 Ų7657.3 Ų57.351%0.51432%0.319SS..SBendtrans-110.6150.9176.456.20000111.7S228 L232S228-C230 VanDerWaalsContact C-N 3.32Å; S228-C230 WeakPolarHBondContact CB-O 3.38Å; S228-C230 PolarHBondContact OG-N 3.18Å; S228-C230 PolarHBondContact OG-O 3.21Å; S228-C230 PolarHBondContact OG-SG 3.2Å; C230-L232 PolarHBondContact O-N 2.96Å
231P97.7Very high97.6Very high61 Ų6159.3 Ų59.340%0.39633%0.327SS..  trans-55129.3176.1-28.637.2000113.1P74 L75 N233P74-P231 HydrophobicContact CB-CB 4.04Å; P74-P231 VanDerWaalsContact O-CA 3.32Å; P74-P231 WeakPolarHBondContact O-CA 3.27Å; L75-P231 HydrophobicContact CD1-CG 4.23Å; L75-P231 HydrophobicContact CD2-CG 4.4Å; L75-P231 HydrophobicContact CG-CG 4.19Å; P231-N233 PolarHBondContact O-ND2 2.87Å
232L97.9Very high97.5Very high14 Ų1459.6 Ų59.67%0.07333%0.328CS..  trans-99101.6168.6-55.8177.2000109.1I73 P74 C230 E237 V238 W241I73-L232 HydrophobicContact CG2-CB 4.01Å; I73-L232 HydrophobicContact CG2-CD1 3.96Å; I73-L232 HydrophobicContact CG2-CG 4.48Å; P74-L232 WeakPolarHBondContact CA-O 3.25Å; P74-L232 WeakPolarHBondContact CB-O 3.3Å; P74-L232 PolarHBondContact O-N 3.38Å; C230-L232 PolarHBondContact O-N 2.96Å; L232-E237 HydrophobicContact CB-CB 4.44Å; L232-E237 HydrophobicContact CD2-CB 4.09Å; L232-V238 HydrophobicContact CB-CG2 4.02Å; L232-V238 HydrophobicContact CD1-CG2 4.44Å; L232-W241 HydrophobicContact CD1-CB 3.91Å; L232-W241 HydrophobicContact CD1-CD2 3.79Å; L232-W241 HydrophobicContact CD1-CE3 3.86Å; L232-W241 HydrophobicContact CD1-CG 3.82Å; L232-W241 HydrophobicContact CD2-CB 4.3Å
233N97.7Very high97.5Very high91 Ų9164.8 Ų64.849%0.48735%0.351SS..  trans-102.8-9.7-170.3-53.7-70.5000113.9P231 E237P231-N233 PolarHBondContact O-ND2 2.87Å; N233-E237 WeakPolarHBondContact CA-OE2 3.47Å; N233-E237 PolarHBondContact N-OE2 2.91Å
234T97.8Very high97.5Very high62 Ų6267.2 Ų67.238%0.3836%0.362SS..SBendtrans-135.2157-176.863.10000111.8D236 E237 V238T234-D236 PolarHBondContact O-N 3.24Å; T234-E237 PolarHBondContact N-OE2 3.4Å; T234-E237 VanDerWaalsContact N-OE2 3.11Å; T234-E237 PolarHBondContact O-N 2.93Å; T234-E237 VanDerWaalsContact O-N 3.16Å; T234-E237 WeakPolarHBondContact OG1-CB 3.32Å; T234-E237 VanDerWaalsContact OG1-CG 3.25Å; T234-E237 WeakPolarHBondContact OG1-CG 3.42Å; T234-E237 PolarHBondContact OG1-N 2.82Å; T234-E237 PolarHBondContact OG1-OE2 3.38Å; T234-V238 WeakPolarHBondContact O-CG2 3.5Å; T234-V238 PolarHBondContact O-N 2.85Å
235D97.3Very high97.5Very high64 Ų6467.5 Ų67.534%0.34236%0.361SS..Hα-helixtrans-61-34.2177.2-67.2-41.9000111.5V238 N239 V316 G317D235-V238 PolarHBondContact O-N 3.27Å; D235-N239 VanDerWaalsContact O-CB 3.23Å; D235-N239 WeakPolarHBondContact O-CB 3.39Å; D235-N239 PolarHBondContact O-N 2.92Å; D235-N239 PolarHBondContact O-ND2 3.04Å; D235-V316 VanDerWaalsContact OD1-CA 3.26Å; D235-V316 WeakPolarHBondContact OD1-CA 3.22Å; D235-G317 PolarHBondContact OD1-N 3.23Å
236D97.5Very high97.5Very high117 Ų11767.7 Ų67.763%0.62637%0.366SS*.Hα-helixtrans-65.2-42.9175.1-72.6-18.4000112T234 V238 N239 N240T234-D236 PolarHBondContact O-N 3.24Å; D236-V238 VanDerWaalsContact C-N 3.35Å; D236-N239 PolarHBondContact O-N 2.92Å; D236-N240 VanDerWaalsContact O-CB 3.29Å; D236-N240 WeakPolarHBondContact O-CB 3.29Å; D236-N240 PolarHBondContact O-N 3.36Å; D236-N240 PolarHBondContact O-ND2 2.9Å
237E98Very high97.6Very high76 Ų7661.1 Ų61.136%0.35534%0.335SS..Hα-helixtrans-62.9-41.9175.3-75.1168.6163.100111.5L232 N233 T234 N240 W241L232-E237 HydrophobicContact CB-CB 4.44Å; L232-E237 HydrophobicContact CD2-CB 4.09Å; N233-E237 WeakPolarHBondContact CA-OE2 3.47Å; N233-E237 PolarHBondContact N-OE2 2.91Å; T234-E237 PolarHBondContact N-OE2 3.4Å; T234-E237 VanDerWaalsContact N-OE2 3.11Å; T234-E237 PolarHBondContact O-N 2.93Å; T234-E237 VanDerWaalsContact O-N 3.16Å; T234-E237 WeakPolarHBondContact OG1-CB 3.32Å; T234-E237 VanDerWaalsContact OG1-CG 3.25Å; T234-E237 WeakPolarHBondContact OG1-CG 3.42Å; T234-E237 PolarHBondContact OG1-N 2.82Å; T234-E237 PolarHBondContact OG1-OE2 3.38Å; E237-N240 PolarHBondContact O-N 3Å; E237-W241 WeakPolarHBondContact O-CB 3.28Å; E237-W241 PolarHBondContact O-N 3.04Å; E237-W241 VanDerWaalsContact O-N 3.08Å
238V97.4Very high97.6Very high11 Ų1161 Ų617%0.06734%0.34CS..Hα-helixtrans-62.9-50.2174.7175.90000110.7I73 L232 T234 D235 D236 N240 W241 L242 V316I73-V238 HydrophobicContact CD1-CG2 3.69Å; I73-V238 HydrophobicContact CG2-CG2 4.42Å; L232-V238 HydrophobicContact CB-CG2 4.02Å; L232-V238 HydrophobicContact CD1-CG2 4.44Å; T234-V238 WeakPolarHBondContact O-CG2 3.5Å; T234-V238 PolarHBondContact O-N 2.85Å; D235-V238 PolarHBondContact O-N 3.27Å; D236-V238 VanDerWaalsContact C-N 3.35Å; V238-N240 VanDerWaalsContact C-N 3.27Å; V238-N240 PolarHBondContact O-N 2.67Å; V238-W241 WeakPolarHBondContact O-CB 3.22Å; V238-W241 PolarHBondContact O-N 3.08Å; V238-L242 HydrophobicContact CG1-CD1 3.89Å; V238-L242 HydrophobicContact CG1-CG 4.17Å; V238-L242 WeakPolarHBondContact O-CG 3.27Å; V238-L242 PolarHBondContact O-N 3.3Å; V238-V316 HydrophobicContact CG2-CG1 3.9Å
239N96.4Very high97.7Very high52 Ų5261.2 Ų61.228%0.27834%0.343SS..Hα-helixtrans-62.2-33.4-179.1-78-38000113D235 D236D235-N239 VanDerWaalsContact O-CB 3.23Å; D235-N239 WeakPolarHBondContact O-CB 3.39Å; D235-N239 PolarHBondContact O-N 2.92Å; D235-N239 PolarHBondContact O-ND2 3.04Å; D236-N239 PolarHBondContact O-N 2.92Å
240N97.1Very high97.8Very high139 Ų13959.3 Ų59.374%0.74332%0.322SS*.Hα-helixtrans-73.5-29.9174.6-74.1-37.4000112.7D236 E237 V238D236-N240 VanDerWaalsContact O-CB 3.29Å; D236-N240 WeakPolarHBondContact O-CB 3.29Å; D236-N240 PolarHBondContact O-N 3.36Å; D236-N240 PolarHBondContact O-ND2 2.9Å; E237-N240 PolarHBondContact O-N 3Å; V238-N240 VanDerWaalsContact C-N 3.27Å; V238-N240 PolarHBondContact O-N 2.67Å
241W97.9Very high97.9Very high42 Ų4255.7 Ų55.716%0.15930%0.297CS..Hα-helixtrans-76.1-40.1174.7174.273000111.8L72 M223 P224 L232 E237 V238L72-W241 HydrophobicContact CD1-CH2 4.39Å; M223-W241 HydrophobicContact CB-CH2 3.64Å; M223-W241 HydrophobicContact CB-CZ2 4.3Å; M223-W241 HydrophobicContact CB-CZ3 4.08Å; M223-W241 HydrophobicContact CG-CH2 3.54Å; M223-W241 HydrophobicContact CG-CZ3 3.59Å; M223-W241 HydrophobicContact SD-CH2 3.71Å; M223-W241 HydrophobicContact SD-CZ3 3.99Å; P224-W241 HydrophobicContact CB-CZ2 4.37Å; P224-W241 WeakPolarHBondContact CD-O 3.38Å; P224-W241 HydrophobicContact CG-CD2 4.18Å; P224-W241 HydrophobicContact CG-CG 4.26Å; P224-W241 HydrophobicContact CG-CZ2 4.22Å; P224-W241 WeakPolarHBondContact CG-O 3.27Å; L232-W241 HydrophobicContact CD1-CB 3.91Å; L232-W241 HydrophobicContact CD1-CD2 3.79Å; L232-W241 HydrophobicContact CD1-CE3 3.86Å; L232-W241 HydrophobicContact CD1-CG 3.82Å; L232-W241 HydrophobicContact CD2-CB 4.3Å; E237-W241 WeakPolarHBondContact O-CB 3.28Å; E237-W241 PolarHBondContact O-N 3.04Å; E237-W241 VanDerWaalsContact O-N 3.08Å; V238-W241 WeakPolarHBondContact O-CB 3.22Å; V238-W241 PolarHBondContact O-N 3.08Å
242L97.8Very high98Very high19 Ų1953 Ų5310%0.09928%0.28CS..SBendtrans-65.5138.8179-67.7177.1000112.6H221 M223 V238H221-L242 HydrophobicContact CB-CB 4.38Å; M223-L242 HydrophobicContact CB-CD2 4.32Å; M223-L242 HydrophobicContact CG-CD2 3.59Å; V238-L242 HydrophobicContact CG1-CD1 3.89Å; V238-L242 HydrophobicContact CG1-CG 4.17Å; V238-L242 WeakPolarHBondContact O-CG 3.27Å; V238-L242 PolarHBondContact O-N 3.3Å
243K98.2Very high98Very high109 Ų10952.3 Ų52.347%0.47428%0.276SS..EExtended strand (participates in β ladder)trans-95.9118.8173.1-170.766.6177.9-179.20110.7I137 H221 I222 F245I137-K243 HydrophobicContact CD1-CB 3.44Å; I137-K243 VanDerWaalsContact CD1-CB 3.44Å; I137-K243 HydrophobicContact CD1-CG 3.95Å; I137-K243 HydrophobicContact CG1-CB 4.34Å; H221-K243 CarbonylContact C-O 3.56Å; H221-K243 VanDerWaalsContact CA-O 3.23Å; H221-K243 WeakPolarHBondContact CA-O 3.49Å; H221-K243 WeakPolarHBondContact CB-O 3.18Å; I222-K243 PolarHBondContact N-O 3.19Å; I222-K243 PolarHBondContact O-N 3.5Å; I222-K243 VanDerWaalsContact O-N 3.15Å; K243-F245 HydrophobicContact CB-CE2 3.87Å; K243-F245 HydrophobicContact CB-CZ 4.19Å; K243-F245 HydrophobicContact CG-CD2 4.38Å; K243-F245 HydrophobicContact CG-CE1 4.2Å; K243-F245 HydrophobicContact CG-CE2 3.47Å; K243-F245 VanDerWaalsContact CG-CE2 3.47Å; K243-F245 HydrophobicContact CG-CZ 3.37Å; K243-F245 WeakPolarHBondContact O-CD2 3.15Å; K243-F245 WeakPolarHBondContact O-CE2 3.48Å
244H98.1Very high98.1Very high59 Ų5948 Ų4827%0.27325%0.253SS..EExtended strand (participates in β ladder)trans-93.5143.8179.6-69.588.2000112.5K219 I220 Y284K219-H244 WeakPolarHBondContact CE-CD2 3.36Å; I220-H244 CarbonylContact O-C 3.38Å; I220-H244 WeakPolarHBondContact O-CA 3.36Å; H244-Y284 AromaticContact CD2-CE2 3.67Å; H244-Y284 AromaticContact NE2-CE2 3.49Å; H244-Y284 WeakPolarHBondContact NE2-CE2 3.25Å; H244-Y284 AromaticContact NE2-CZ 3.52Å; H244-Y284 PolarHBondContact NE2-OH 2.63Å
245F98.5Very high98.1Very high30 Ų3045.1 Ų45.113%0.13224%0.235CC..EExtended strand (participates in β ladder)trans-136.3165.3178.7-56.8-92.5000110.9I137 G142 K219 I220 I222 K243I137-F245 HydrophobicContact CG1-CE2 4.48Å; I137-F245 HydrophobicContact CG1-CZ 4.29Å; G142-F245 VanDerWaalsContact O-CE1 3.26Å; G142-F245 WeakPolarHBondContact O-CE1 3.39Å; K219-F245 WeakPolarHBondContact CA-O 3.34Å; I220-F245 HydrophobicContact CD1-CB 4.31Å; I220-F245 HydrophobicContact CG1-CB 3.84Å; I220-F245 PolarHBondContact N-O 2.89Å; I220-F245 PolarHBondContact O-N 2.92Å; I222-F245 HydrophobicContact CB-CE2 3.98Å; I222-F245 HydrophobicContact CD1-CD2 4.07Å; I222-F245 HydrophobicContact CD1-CE2 3.8Å; I222-F245 HydrophobicContact CD1-CZ 4.45Å; I222-F245 HydrophobicContact CG1-CD2 4.12Å; I222-F245 HydrophobicContact CG1-CE2 3.96Å; K243-F245 HydrophobicContact CB-CE2 3.87Å; K243-F245 HydrophobicContact CB-CZ 4.19Å; K243-F245 HydrophobicContact CG-CD2 4.38Å; K243-F245 HydrophobicContact CG-CE1 4.2Å; K243-F245 HydrophobicContact CG-CE2 3.47Å; K243-F245 VanDerWaalsContact CG-CE2 3.47Å; K243-F245 HydrophobicContact CG-CZ 3.37Å; K243-F245 WeakPolarHBondContact O-CD2 3.15Å; K243-F245 WeakPolarHBondContact O-CE2 3.48Å
246E98.3Very high98.2Very high89 Ų8942.2 Ų42.242%0.41622%0.22SC..EExtended strand (participates in β ladder)trans-113.6106.6168.8-172.4179.3-108.600108.8K217 A218 T287K217-E246 HydrophobicContact CB-CG 3.8Å; K217-E246 HydrophobicContact CD-CG 3.73Å; K217-E246 WeakPolarHBondContact CD-OE2 3.34Å; K217-E246 WeakPolarHBondContact CE-OE2 3.17Å; K217-E246 HydrophobicContact CG-CG 4.42Å; K217-E246 IonicContact NZ-OE2 2.73Å; K217-E246 PolarHBondContact NZ-OE2 2.92Å; A218-E246 CarbonylContact O-C 3.58Å; A218-E246 WeakPolarHBondContact O-CA 3.38Å; E246-T287 WeakPolarHBondContact CG-OG1 3.44Å; E246-T287 VanDerWaalsContact OE1-CB 3.26Å; E246-T287 WeakPolarHBondContact OE1-CB 3.44Å; E246-T287 PolarHBondContact OE1-OG1 2.67Å
247A98.5Very high98.3Very high2 Ų236.7 Ų36.72%0.01719%0.19CC..EExtended strand (participates in β ladder)trans-91.6140.5-18000000111.5K217 A218 I220 L251 E279K217-A247 CarbonylContact C-O 3.52Å; K217-A247 WeakPolarHBondContact CA-O 3.43Å; K217-A247 WeakPolarHBondContact CB-O 3.45Å; A218-A247 PolarHBondContact N-O 2.72Å; A218-A247 PolarHBondContact O-N 2.76Å; I220-A247 HydrophobicContact CD1-CB 3.83Å; I220-A247 HydrophobicContact CG1-CB 4.13Å; I220-A247 HydrophobicContact CG2-CB 4.22Å; A247-L251 HydrophobicContact CB-CD2 4.37Å; A247-E279 VanDerWaalsContact CA-OE2 3.32Å; A247-E279 WeakPolarHBondContact CA-OE2 3.49Å; A247-E279 HydrophobicContact CB-CB 4.09Å
248S98.6Very high98.3Very high41 Ų4133.1 Ų33.129%0.28717%0.174SC..EExtended strand (participates in β ladder)trans-91.9145.6-178.6-59.50000112.4H277 E279S248-H277 PolarHBondContact O-CE1 3.5Å; S248-H277 PolarHBondContact O-NE2 3.13Å; S248-E279 PolarHBondContact N-OE2 2.99Å
249A98.4Very high98.3Very high26 Ų2632.7 Ų32.722%0.21517%0.171CC..SBendtrans-61.8149.9165.500000111.5I213 G216I213-A249 HydrophobicContact CG2-CB 4.2Å; I213-A249 VanDerWaalsContact O-CB 3.28Å; I213-A249 WeakPolarHBondContact O-CB 3.46Å; G216-A249 VanDerWaalsContact O-CB 3.27Å; G216-A249 WeakPolarHBondContact O-CB 3.48Å; G216-A249 PolarHBondContact O-N 3.15Å
250P98.6Very high98.3Very high65 Ų6536.2 Ų36.242%0.42218%0.18SC..SBendcis-75.6131.4-2.428.4-32.8000113.1I212 I213 S275 H277I212-P250 HydrophobicContact CD1-CB 3.91Å; I212-P250 HydrophobicContact CG1-CB 4.42Å; I213-P250 VanDerWaalsContact O-CA 3.29Å; I213-P250 WeakPolarHBondContact O-CA 3.29Å; P250-S275 WeakPolarHBondContact O-CB 3.47Å; P250-H277 PolarHBondContact O-NE2 2.61Å; P250-H277 VanDerWaalsContact O-NE2 3.12Å
251L98.9Very high98.3Very high1 Ų131.9 Ų31.91%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-125.2120175.7-174.371.5000109.9I212 I213 A218 I220 A247I212-L251 CarbonylContact C-O 3.6Å; I212-L251 WeakPolarHBondContact CA-O 3.3Å; I213-L251 HydrophobicContact CB-CB 4.26Å; I213-L251 HydrophobicContact CD1-CB 4.41Å; I213-L251 HydrophobicContact CD1-CD2 4.06Å; I213-L251 HydrophobicContact CG1-CB 4.32Å; I213-L251 PolarHBondContact N-O 3.02Å; I213-L251 PolarHBondContact O-N 2.84Å; A218-L251 HydrophobicContact CB-CD2 4.35Å; I220-L251 HydrophobicContact CG2-CD2 4.47Å; A247-L251 HydrophobicContact CB-CD2 4.37Å
252I98.9Very high98.2Very high4 Ų432.2 Ų32.22%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-94.2114-178.9-57.2156.4000108.1P49 F50 F52 I212 G273 F274P49-I252 HydrophobicContact CB-CD1 4.42Å; P49-I252 WeakPolarHBondContact O-CD1 3.45Å; F50-I252 HydrophobicContact CD1-CG2 3.91Å; F50-I252 HydrophobicContact CE1-CG2 4.33Å; F52-I252 HydrophobicContact CE1-CG2 4.35Å; F52-I252 HydrophobicContact CZ-CG2 4.45Å; I212-I252 HydrophobicContact CD1-CG1 4.32Å; I212-I252 HydrophobicContact CG1-CG1 4.49Å; I252-G273 CarbonylContact O-C 3.5Å; I252-G273 VanDerWaalsContact O-CA 3.25Å; I252-G273 WeakPolarHBondContact O-CA 3.38Å; I252-F274 HydrophobicContact CB-CD1 4.37Å; I252-F274 HydrophobicContact CB-CE1 3.93Å; I252-F274 HydrophobicContact CB-CE2 4.16Å; I252-F274 HydrophobicContact CB-CZ 3.83Å; I252-F274 HydrophobicContact CD1-CD2 4.47Å; I252-F274 HydrophobicContact CD1-CE2 3.76Å; I252-F274 HydrophobicContact CD1-CZ 4Å; I252-F274 HydrophobicContact CG2-CD1 4.5Å; I252-F274 HydrophobicContact CG2-CE1 3.65Å; I252-F274 HydrophobicContact CG2-CE2 4.39Å; I252-F274 HydrophobicContact CG2-CZ 3.6Å; I252-F274 PolarHBondContact N-O 2.85Å; I252-F274 WeakPolarHBondContact O-CD1 3.29Å; I252-F274 PolarHBondContact O-N 2.87Å
253C98.9Very high98.2Very high0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-108.7139.3-173.4-58.60000111T210 F211 T271 H272T210-C253 CarbonylContact C-O 3.47Å; T210-C253 VanDerWaalsContact CA-O 3.23Å; T210-C253 WeakPolarHBondContact CA-O 3.2Å; T210-C253 PolarHBondContact OG1-O 2.82Å; F211-C253 HydrophobicContact CD1-CB 3.83Å; F211-C253 HydrophobicContact CD2-CB 3.88Å; F211-C253 HydrophobicContact CE1-CB 3.45Å; F211-C253 VanDerWaalsContact CE1-CB 3.45Å; F211-C253 HydrophobicContact CE2-CB 3.49Å; F211-C253 VanDerWaalsContact CE2-CB 3.49Å; F211-C253 VanDerWaalsContact CE2-SG 3.6Å; F211-C253 HydrophobicContact CG-CB 4.05Å; F211-C253 HydrophobicContact CZ-CB 3.26Å; F211-C253 PolarHBondContact N-O 3.44Å; F211-C253 WeakPolarHBondContact O-CA 3.39Å; F211-C253 PolarHBondContact O-N 2.83Å; C253-T271 HydrophobicContact CB-CG2 3.8Å; C253-H272 CarbonylContact C-O 3.53Å; C253-H272 WeakPolarHBondContact CA-O 3.01Å
254Q98.7Very high98.1Very high0 Ų029.1 Ų29.10%017%0.166CC..EExtended strand (participates in β ladder)trans-111.8123.7175.1-65.4166.712.100107.7L99 G100 P117 L118 T271 H272L99-Q254 HydrophobicContact CB-CG 4.2Å; L99-Q254 HydrophobicContact CD1-CB 4.05Å; L99-Q254 HydrophobicContact CD1-CG 4.41Å; G100-Q254 WeakPolarHBondContact O-CB 3.23Å; G100-Q254 PolarHBondContact O-OE1 3.1Å; P117-Q254 VanDerWaalsContact O-CD 3.27Å; P117-Q254 PolarHBondContact O-NE2 3.13Å; P117-Q254 PolarHBondContact O-OE1 2.83Å; L118-Q254 VanDerWaalsContact CD2-NE2 3.29Å; Q254-T271 VanDerWaalsContact O-CA 3.28Å; Q254-T271 WeakPolarHBondContact O-CA 3.39Å; Q254-T271 WeakPolarHBondContact O-CG2 3.32Å; Q254-H272 PolarHBondContact N-O 2.94Å; Q254-H272 PolarHBondContact O-N 2.77Å
255S98.6Very high98Very high1 Ų127.8 Ų27.81%0.00716%0.161CC..EExtended strand (participates in β ladder)trans-126.3138.3-170.5-1620000111.5G208 G209 T271G208-S255 WeakPolarHBondContact CA-O 3.48Å; G209-S255 PolarHBondContact N-O 3.18Å; G209-S255 VanDerWaalsContact N-O 3.15Å; G209-S255 PolarHBondContact O-N 2.8Å; S255-T271 PolarHBondContact OG-OG1 2.93Å
256V98.8Very high98Very high3 Ų326.6 Ų26.62%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-124.5129.8164.9-178.20000107.3I63 N163 H270I63-V256 HydrophobicContact CB-CG1 4.08Å; I63-V256 HydrophobicContact CD1-CG1 4.38Å; I63-V256 HydrophobicContact CG2-CG1 3.75Å; N163-V256 HydrophobicContact CB-CB 4.33Å; V256-H270 PolarHBondContact N-O 2.83Å; V256-H270 PolarHBondContact O-N 2.77Å
257L98.6Very high97.9Very high1 Ų123.4 Ų23.41%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-138.7149.6174.966.687.5000110.8V189 L192 R193 L196 A206 L207 V268V189-L257 HydrophobicContact CG1-CB 4.22Å; V189-L257 HydrophobicContact CG1-CD2 3.92Å; L192-L257 HydrophobicContact CB-CD2 3.86Å; L192-L257 HydrophobicContact CD1-CD2 4.35Å; R193-L257 HydrophobicContact CB-CB 4.46Å; R193-L257 HydrophobicContact CB-CD1 4.08Å; R193-L257 HydrophobicContact CG-CD1 4.31Å; L196-L257 HydrophobicContact CD1-CD1 4.05Å; A206-L257 CarbonylContact C-O 3.51Å; A206-L257 WeakPolarHBondContact CA-O 3.44Å; A206-L257 VanDerWaalsContact CB-O 3.22Å; A206-L257 WeakPolarHBondContact CB-O 3.19Å; L207-L257 HydrophobicContact CB-CD1 3.93Å; L207-L257 HydrophobicContact CB-CD2 4.3Å; L207-L257 HydrophobicContact CB-CG 3.95Å; L207-L257 HydrophobicContact CD1-CD1 4.45Å; L207-L257 HydrophobicContact CG-CD1 4.14Å; L207-L257 PolarHBondContact N-O 3.37Å; L207-L257 PolarHBondContact O-N 2.96Å; L257-V268 CarbonylContact C-O 3.54Å; L257-V268 VanDerWaalsContact CA-O 3.22Å; L257-V268 WeakPolarHBondContact CA-O 3.22Å
258V98.4Very high97.9Very high2 Ų225.9 Ų25.91%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-128.6124.8175.4-170.40000108.1I63 R193 L205 A206 R260 L266 V268I63-V258 HydrophobicContact CD1-CG2 3.39Å; R193-V258 WeakPolarHBondContact CD-O 3.47Å; R193-V258 VanDerWaalsContact CG-O 3.32Å; R193-V258 WeakPolarHBondContact CG-O 3.14Å; L205-V258 CarbonylContact O-C 3.55Å; L205-V258 WeakPolarHBondContact O-CA 3.26Å; L205-V258 WeakPolarHBondContact O-CG1 3.46Å; A206-V258 HydrophobicContact CB-CB 4.46Å; A206-V258 HydrophobicContact CB-CG1 4.46Å; A206-V258 HydrophobicContact CB-CG2 3.98Å; V258-R260 VanDerWaalsContact C-N 3.31Å; V258-R260 WeakPolarHBondContact CG1-O 3.49Å; V258-R260 PolarHBondContact O-N 3.5Å; V258-L266 HydrophobicContact CB-CD1 4.45Å; V258-L266 HydrophobicContact CG1-CD1 4.1Å; V258-L266 HydrophobicContact CG2-CD1 4.1Å; V258-V268 PolarHBondContact N-O 2.86Å
259S98.3Very high97.8Very high1 Ų125.7 Ų25.71%0.00715%0.15CC..SBendtrans-56.9-46.7-177.861.90000111.7R193 L205R193-S259 PolarHBondContact NH1-O 2.95Å; L205-S259 PolarHBondContact N-OG 3.31Å; L205-S259 PolarHBondContact O-N 3.28Å; L205-S259 PolarHBondContact O-OG 3.25Å
260R96.3Very high97.9Very high126 Ų12624.7 Ų24.748%0.47514%0.141SC..SBendtrans-145.8130.1-178.4171.9-174.6-91.8-79.31.4109.5P201 S204 V258 P262P201-R260 PolarHBondContact O-NE 2.8Å; P201-R260 VanDerWaalsContact O-NE 3.1Å; S204-R260 WeakPolarHBondContact CB-O 3.39Å; S204-R260 PolarHBondContact OG-O 2.82Å; V258-R260 VanDerWaalsContact C-N 3.31Å; V258-R260 WeakPolarHBondContact CG1-O 3.49Å; V258-R260 PolarHBondContact O-N 3.5Å; R260-P262 WeakPolarHBondContact O-CD 3.31Å
261D96.9Very high97.9Very high48 Ų4821.9 Ų21.926%0.25712%0.122SC..  trans-64.4122.6171.4-176.8-5.5000110.8G263 L264 D265 L266 V268D261-G263 PolarHBondContact O-N 3.06Å; D261-G263 PolarHBondContact OD1-N 2.83Å; D261-L264 PolarHBondContact OD1-N 2.75Å; D261-D265 WeakPolarHBondContact OD2-CA 3.42Å; D261-D265 PolarHBondContact OD2-N 2.81Å; D261-L266 HydrophobicContact CB-CB 4.37Å; D261-L266 PolarHBondContact OD2-N 2.89Å; D261-V268 HydrophobicContact CB-CG1 4.48Å
262P96.5Very high97.9Very high50 Ų5021.8 Ų21.833%0.32512%0.122SC..  trans-76.914.6175.732.8-34.4000114.3V10 R260 L264 L266 V304V10-P262 HydrophobicContact CG1-CB 4.2Å; V10-P262 HydrophobicContact CG1-CG 4.2Å; R260-P262 WeakPolarHBondContact O-CD 3.31Å; P262-L264 HydrophobicContact CG-CD1 3.9Å; P262-L264 HydrophobicContact CG-CG 4.08Å; P262-L266 HydrophobicContact CG-CD1 4.4Å; P262-V304 HydrophobicContact CG-CG1 4.45Å
263G96.4Very high97.9Very high54 Ų5421.6 Ų21.656%0.55712%0.121SC*.SBendtrans99.325.8-18000000113.9D261 R309D261-G263 PolarHBondContact O-N 3.06Å; D261-G263 PolarHBondContact OD1-N 2.83Å; G263-R309 PolarHBondContact O-NH1 2.81Å; G263-R309 VanDerWaalsContact O-NH1 3.14Å
264L96.6Very high97.9Very high8 Ų821.6 Ų21.64%0.04212%0.121CC..SBendtrans-106.76.7-176.7-63178.4000113.3E8 V10 D261 P262 L266 V304 R306 R309E8-L264 HydrophobicContact CB-CD2 4.14Å; V10-L264 HydrophobicContact CB-CD1 4.22Å; V10-L264 HydrophobicContact CG2-CD1 3.81Å; V10-L264 HydrophobicContact CG2-CD2 4.41Å; V10-L264 HydrophobicContact CG2-CG 4.4Å; D261-L264 PolarHBondContact OD1-N 2.75Å; P262-L264 HydrophobicContact CG-CD1 3.9Å; P262-L264 HydrophobicContact CG-CG 4.08Å; L264-L266 HydrophobicContact CB-CD1 4.47Å; L264-L266 HydrophobicContact CB-CD2 3.66Å; L264-L266 HydrophobicContact CB-CG 3.86Å; L264-L266 HydrophobicContact CD1-CD2 4.47Å; L264-V304 HydrophobicContact CD1-CG1 3.82Å; L264-R306 HydrophobicContact CB-CB 4.34Å; L264-R306 HydrophobicContact CB-CG 4.3Å; L264-R306 HydrophobicContact CD1-CB 4.22Å; L264-R306 HydrophobicContact CD2-CB 4.46Å; L264-R306 WeakPolarHBondContact O-CD 3.42Å; L264-R306 PolarHBondContact O-NE 3.25Å; L264-R309 WeakPolarHBondContact O-CD 3.23Å
265D97.1Very high97.9Very high31 Ų3121.7 Ų21.717%0.16612%0.122CC..  trans56.553.2-176.9-171.436.3000111.5D261 T313 R318D261-D265 WeakPolarHBondContact OD2-CA 3.42Å; D261-D265 PolarHBondContact OD2-N 2.81Å; D265-T313 WeakPolarHBondContact OD2-CB 3.33Å; D265-T313 PolarHBondContact OD2-OG1 3.37Å; D265-R318 VanDerWaalsContact CG-NH2 3.34Å; D265-R318 IonicContact OD1-CZ 2.94Å; D265-R318 IonicContact OD1-NH1 2.89Å; D265-R318 PolarHBondContact OD1-NH1 2.99Å; D265-R318 IonicContact OD1-NH2 2.69Å; D265-R318 PolarHBondContact OD1-NH2 3.19Å; D265-R318 IonicContact OD2-NH2 2.77Å; D265-R318 PolarHBondContact OD2-NH2 3.35Å
266L97.3Very high97.8Very high6 Ų626.7 Ų26.73%0.03114%0.14CC..  trans-82.7148.5-174.8-59.1-175.9000111.7D65 V258 D261 P262 L264 V268 V304D65-L266 HydrophobicContact CB-CD2 3.74Å; D65-L266 WeakPolarHBondContact OD2-CA 3.38Å; V258-L266 HydrophobicContact CB-CD1 4.45Å; V258-L266 HydrophobicContact CG1-CD1 4.1Å; V258-L266 HydrophobicContact CG2-CD1 4.1Å; D261-L266 HydrophobicContact CB-CB 4.37Å; D261-L266 PolarHBondContact OD2-N 2.89Å; P262-L266 HydrophobicContact CG-CD1 4.4Å; L264-L266 HydrophobicContact CB-CD1 4.47Å; L264-L266 HydrophobicContact CB-CD2 3.66Å; L264-L266 HydrophobicContact CB-CG 3.86Å; L264-L266 HydrophobicContact CD1-CD2 4.47Å; L266-V268 PolarHBondContact O-N 2.88Å; L266-V304 HydrophobicContact CD1-CG2 4.15Å; L266-V304 HydrophobicContact CD2-CG2 4.25Å
267R97.7Very high97.7Very high22 Ų2230.6 Ų30.68%0.08316%0.158CC..  trans-78110157.6-170.871.9-176.4-94.6-4.7108.5D65 E269 H270 H282 R318 D319D65-R267 PolarHBondContact OD2-N 3.19Å; R267-E269 WeakPolarHBondContact CG-O 3.2Å; R267-E269 PolarHBondContact NE-O 2.88Å; R267-E269 PolarHBondContact O-N 2.84Å; R267-H270 HydrophobicContact CG-CB 4.06Å; R267-H282 PolarHBondContact NH2-CE1 2.71Å; R267-R318 PolarHBondContact NE-O 3.2Å; R267-R318 PolarHBondContact NH2-O 2.93Å; R267-D319 PolarHBondContact NH2-O 2.67Å; R267-D319 PolarHBondContact NH2-OXT 2.95Å
268V97.4Very high97.7Very high54 Ų5431.8 Ų31.833%0.32717%0.171SC..SBendtrans-76-21.8-170.2-64.70000114.4L257 V258 D261 L266L257-V268 CarbonylContact C-O 3.54Å; L257-V268 VanDerWaalsContact CA-O 3.22Å; L257-V268 WeakPolarHBondContact CA-O 3.22Å; V258-V268 PolarHBondContact N-O 2.86Å; D261-V268 HydrophobicContact CB-CG1 4.48Å; L266-V268 PolarHBondContact O-N 2.88Å
269E97.8Very high97.6Very high36 Ų3634.2 Ų34.217%0.16818%0.182CC..EExtended strand (participates in β ladder)trans-141.5128.2173-61179.8-153.900107.8V189 T190 R193 R267V189-E269 HydrophobicContact CG1-CB 4.24Å; V189-E269 HydrophobicContact CG1-CG 4.23Å; T190-E269 WeakPolarHBondContact CA-OE1 3.33Å; T190-E269 VanDerWaalsContact CA-OE2 3.29Å; T190-E269 WeakPolarHBondContact CA-OE2 3.23Å; T190-E269 WeakPolarHBondContact CB-OE2 3.34Å; T190-E269 PolarHBondContact N-OE2 3.21Å; T190-E269 PolarHBondContact OG1-OE2 2.8Å; R193-E269 HydrophobicContact CB-CG 4.33Å; R193-E269 WeakPolarHBondContact CD-OE1 3.44Å; R193-E269 HydrophobicContact CG-CG 4.45Å; R193-E269 IonicContact CZ-OE1 3.07Å; R193-E269 IonicContact NE-OE1 3.76Å; R193-E269 PolarHBondContact NE-OE1 2.9Å; R193-E269 IonicContact NH2-OE1 3.95Å; R267-E269 WeakPolarHBondContact CG-O 3.2Å; R267-E269 PolarHBondContact NE-O 2.88Å; R267-E269 PolarHBondContact O-N 2.84Å
270H98.8Very high97.7Very high6 Ų634.2 Ų34.23%0.02818%0.182CC..EExtended strand (participates in β ladder)trans-150.6123.9170.4-157.1177.6000110A101 N163 V256 R267 H272 H282A101-H270 HydrophobicContact CB-CB 4.25Å; N163-H270 HydrophobicContact CB-CB 3.86Å; N163-H270 PolarHBondContact OD1-ND1 2.88Å; V256-H270 PolarHBondContact N-O 2.83Å; V256-H270 PolarHBondContact O-N 2.77Å; R267-H270 HydrophobicContact CG-CB 4.06Å; H270-H272 AromaticContact CD2-CD2 3.93Å; H270-H272 AromaticContact CD2-NE2 3.91Å; H270-H272 AromaticContact CE1-NE2 4Å; H270-H272 AromaticContact NE2-CD2 3.64Å; H270-H272 AromaticContact NE2-NE2 3.15Å; H270-H272 PolarHBondContact NE2-NE2 2.81Å; H270-H272 VanDerWaalsContact NE2-NE2 3.15Å; H270-H282 AromaticContact CD2-CE1 3.35Å; H270-H282 PolarHBondContact CD2-CE1 2.97Å; H270-H282 AromaticContact CD2-ND1 3.43Å; H270-H282 PolarHBondContact CD2-ND1 3.04Å; H270-H282 AromaticContact NE2-CE1 3.48Å; H270-H282 PolarHBondContact NE2-CE1 2.97Å; H270-H282 AromaticContact NE2-ND1 3.19Å; H270-H282 PolarHBondContact NE2-ND1 3.16Å; H270-H282 VanDerWaalsContact NE2-ND1 3.19Å
271T98.9Very high97.8Very high5 Ų528.2 Ų28.23%0.03116%0.159CC..EExtended strand (participates in β ladder)trans-138.9121.8-176.2-52.60000110F211 C253 Q254 S255 Y283F211-T271 HydrophobicContact CE1-CG2 3.72Å; F211-T271 HydrophobicContact CZ-CG2 3.9Å; C253-T271 HydrophobicContact CB-CG2 3.8Å; Q254-T271 VanDerWaalsContact O-CA 3.28Å; Q254-T271 WeakPolarHBondContact O-CA 3.39Å; Q254-T271 WeakPolarHBondContact O-CG2 3.32Å; S255-T271 PolarHBondContact OG-OG1 2.93Å; T271-Y283 HydrophobicContact CG2-CD1 4Å; T271-Y283 HydrophobicContact CG2-CG 4.23Å; T271-Y283 PolarHBondContact O-N 2.9Å
272H98.9Very high97.9Very high0 Ų026.1 Ų26.10%015%0.148CC..EExtended strand (participates in β ladder)trans-110.6148.5167.1-72.8-168.5000109.9A101 G102 E114 L115 M116 C253 Q254 H270 G281 H282A101-H272 HydrophobicContact CB-CB 3.92Å; A101-H272 VanDerWaalsContact CB-CD2 3.5Å; A101-H272 WeakPolarHBondContact CB-CD2 3.34Å; A101-H272 VanDerWaalsContact CB-CG 3.49Å; G102-H272 PolarHBondContact O-CE1 3.15Å; E114-H272 IonicContact OE2-CE1 3.06Å; E114-H272 PolarHBondContact OE2-CE1 3.02Å; E114-H272 IonicContact OE2-NE2 2.93Å; E114-H272 PolarHBondContact OE2-NE2 3.43Å; L115-H272 PolarHBondContact O-ND1 3.19Å; M116-H272 HydrophobicContact CG-CB 3.66Å; M116-H272 HydrophobicContact SD-CB 4Å; C253-H272 CarbonylContact C-O 3.53Å; C253-H272 WeakPolarHBondContact CA-O 3.01Å; Q254-H272 PolarHBondContact N-O 2.94Å; Q254-H272 PolarHBondContact O-N 2.77Å; H270-H272 AromaticContact CD2-CD2 3.93Å; H270-H272 AromaticContact CD2-NE2 3.91Å; H270-H272 AromaticContact CE1-NE2 4Å; H270-H272 AromaticContact NE2-CD2 3.64Å; H270-H272 AromaticContact NE2-NE2 3.15Å; H270-H272 PolarHBondContact NE2-NE2 2.81Å; H270-H272 VanDerWaalsContact NE2-NE2 3.15Å; H272-G281 CarbonylContact C-O 3.5Å; H272-G281 VanDerWaalsContact CA-O 3.27Å; H272-G281 WeakPolarHBondContact CA-O 3.36Å; H272-H282 VanDerWaalsContact CD2-CA 3.47Å; H272-H282 WeakPolarHBondContact CD2-CA 3.35Å; H272-H282 AromaticContact CD2-CG 3.91Å; H272-H282 AromaticContact CD2-ND1 3.59Å; H272-H282 AromaticContact NE2-CG 3.82Å; H272-H282 AromaticContact NE2-ND1 3.31Å; H272-H282 PolarHBondContact NE2-ND1 3.14Å
273G98.6Very high98Very high0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-123.6151-179.900000112.8I252 G280 G281I252-G273 CarbonylContact O-C 3.5Å; I252-G273 VanDerWaalsContact O-CA 3.25Å; I252-G273 WeakPolarHBondContact O-CA 3.38Å; G273-G280 CarbonylContact O-C 3.44Å; G273-G280 WeakPolarHBondContact O-CA 3.12Å; G273-G281 PolarHBondContact N-O 2.84Å; G273-G281 PolarHBondContact O-N 2.88Å
274F98.8Very high98.1Very high0 Ų023.3 Ų23.30%012%0.115CC..EExtended strand (participates in β ladder)trans-138.6160.9172.171.1-85.5000111F52 M116 L118 Y133 I252F52-F274 HydrophobicContact CE1-CE1 4.44Å; F52-F274 HydrophobicContact CE1-CZ 4.04Å; M116-F274 HydrophobicContact CB-CD1 4.2Å; M116-F274 HydrophobicContact CE-CB 3.99Å; M116-F274 HydrophobicContact CG-CB 4.19Å; M116-F274 HydrophobicContact CG-CD1 4.37Å; L118-F274 HydrophobicContact CD1-CE1 3.78Å; L118-F274 HydrophobicContact CD1-CE2 4.46Å; L118-F274 HydrophobicContact CD1-CZ 3.69Å; Y133-F274 HydrophobicContact CD1-CD2 4.48Å; Y133-F274 HydrophobicContact CD2-CB 4.06Å; Y133-F274 HydrophobicContact CD2-CD1 4.08Å; Y133-F274 AromaticContact CD2-CD2 3.42Å; Y133-F274 HydrophobicContact CD2-CD2 3.42Å; Y133-F274 VanDerWaalsContact CD2-CD2 3.42Å; Y133-F274 HydrophobicContact CD2-CE1 4.43Å; Y133-F274 AromaticContact CD2-CE2 3.82Å; Y133-F274 HydrophobicContact CD2-CE2 3.82Å; Y133-F274 AromaticContact CD2-CG 3.57Å; Y133-F274 HydrophobicContact CD2-CG 3.57Å; Y133-F274 HydrophobicContact CD2-CZ 4.3Å; Y133-F274 HydrophobicContact CE1-CD2 4.47Å; Y133-F274 AromaticContact CE2-CD2 3.43Å; Y133-F274 HydrophobicContact CE2-CD2 3.43Å; Y133-F274 VanDerWaalsContact CE2-CD2 3.43Å; Y133-F274 AromaticContact CE2-CE2 3.42Å; Y133-F274 HydrophobicContact CE2-CE2 3.42Å; Y133-F274 VanDerWaalsContact CE2-CE2 3.42Å; Y133-F274 HydrophobicContact CE2-CG 4.06Å; Y133-F274 HydrophobicContact CE2-CZ 4.04Å; Y133-F274 HydrophobicContact CG-CB 4.03Å; Y133-F274 HydrophobicContact CG-CD2 4.01Å; Y133-F274 HydrophobicContact CG-CG 4.05Å; I252-F274 HydrophobicContact CB-CD1 4.37Å; I252-F274 HydrophobicContact CB-CE1 3.93Å; I252-F274 HydrophobicContact CB-CE2 4.16Å; I252-F274 HydrophobicContact CB-CZ 3.83Å; I252-F274 HydrophobicContact CD1-CD2 4.47Å; I252-F274 HydrophobicContact CD1-CE2 3.76Å; I252-F274 HydrophobicContact CD1-CZ 4Å; I252-F274 HydrophobicContact CG2-CD1 4.5Å; I252-F274 HydrophobicContact CG2-CE1 3.65Å; I252-F274 HydrophobicContact CG2-CE2 4.39Å; I252-F274 HydrophobicContact CG2-CZ 3.6Å; I252-F274 PolarHBondContact N-O 2.85Å; I252-F274 WeakPolarHBondContact O-CD1 3.29Å; I252-F274 PolarHBondContact O-N 2.87Å
275S98.6Very high98.2Very high2 Ų224.9 Ų24.91%0.01412%0.123CC..  trans-137.4178.7-177.769.80000113.2Q146 P250 H277 G278 E279Q146-S275 PolarHBondContact NE2-O 2.82Å; P250-S275 WeakPolarHBondContact O-CB 3.47Å; S275-H277 VanDerWaalsContact CB-CE1 3.46Å; S275-H277 WeakPolarHBondContact CB-CE1 2.97Å; S275-H277 WeakPolarHBondContact CB-NE2 3.37Å; S275-H277 PolarHBondContact OG-CE1 2.89Å; S275-H277 PolarHBondContact OG-N 2.76Å; S275-H277 PolarHBondContact OG-ND1 2.85Å; S275-G278 PolarHBondContact OG-N 2.76Å; S275-E279 WeakPolarHBondContact CB-O 3.32Å; S275-E279 PolarHBondContact N-O 3.36Å; S275-E279 PolarHBondContact OG-N 3.32Å; S275-E279 PolarHBondContact OG-O 2.98Å
276R97Very high98.2Very high105 Ų10523.5 Ų23.540%0.39612%0.115SC..SBendtrans-93.3-2.6170.6-56.9-60.9176.4-155.4-12.7113.3P49 F50 Y133P49-R276 PolarHBondContact O-NH2 3.02Å; F50-R276 PolarHBondContact O-NH2 3.38Å; Y133-R276 PolarHBondContact OH-NH1 3.35Å
277H97.3Very high98.3Very high85 Ų8525.8 Ų25.839%0.39413%0.129SC..SBendtrans-115.29.2-174.854.667000113.2S248 P250 S275 E279S248-H277 PolarHBondContact O-CE1 3.5Å; S248-H277 PolarHBondContact O-NE2 3.13Å; P250-H277 PolarHBondContact O-NE2 2.61Å; P250-H277 VanDerWaalsContact O-NE2 3.12Å; S275-H277 VanDerWaalsContact CB-CE1 3.46Å; S275-H277 WeakPolarHBondContact CB-CE1 2.97Å; S275-H277 WeakPolarHBondContact CB-NE2 3.37Å; S275-H277 PolarHBondContact OG-CE1 2.89Å; S275-H277 PolarHBondContact OG-N 2.76Å; S275-H277 PolarHBondContact OG-ND1 2.85Å; H277-E279 IonicContact CE1-OE2 3.11Å; H277-E279 PolarHBondContact CE1-OE2 3.03Å; H277-E279 IonicContact ND1-OE2 3.57Å
278G97.3Very high98.4Very high27 Ų2726.4 Ų26.428%0.27814%0.136SC..SBendtrans97.20.9169.200000115C144 Q146 S275C144-G278 PolarHBondContact SG-O 3.03Å; Q146-G278 WeakPolarHBondContact CB-O 3.42Å; Q146-G278 PolarHBondContact N-O 2.81Å; S275-G278 PolarHBondContact OG-N 2.76Å
279E98.3Very high98.4Very high53 Ų5325.6 Ų25.625%0.24813%0.132CC..  trans-99.7133.8177.5-58.5177.315800112.1Q146 A247 S248 S275 H277Q146-E279 PolarHBondContact OE1-O 3.22Å; A247-E279 VanDerWaalsContact CA-OE2 3.32Å; A247-E279 WeakPolarHBondContact CA-OE2 3.49Å; A247-E279 HydrophobicContact CB-CB 4.09Å; S248-E279 PolarHBondContact N-OE2 2.99Å; S275-E279 WeakPolarHBondContact CB-O 3.32Å; S275-E279 PolarHBondContact N-O 3.36Å; S275-E279 PolarHBondContact OG-N 3.32Å; S275-E279 PolarHBondContact OG-O 2.98Å; H277-E279 IonicContact CE1-OE2 3.11Å; H277-E279 PolarHBondContact CE1-OE2 3.03Å; H277-E279 IonicContact ND1-OE2 3.57Å
280G98.4Very high98.5Very high0 Ų029.6 Ų29.60%015%0.154CC..  trans-175165177.600000111.7S135 C144 I220 G273S135-G280 WeakPolarHBondContact CB-O 3.27Å; S135-G280 WeakPolarHBondContact OG-CA 3.37Å; S135-G280 PolarHBondContact OG-O 3.12Å; C144-G280 PolarHBondContact SG-N 2.99Å; C144-G280 PolarHBondContact SG-O 2.99Å; I220-G280 WeakPolarHBondContact CD1-O 3.46Å; G273-G280 CarbonylContact O-C 3.44Å; G273-G280 WeakPolarHBondContact O-CA 3.12Å
281G98.6Very high98.4Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans153-160.9-177.400000112H272 G273H272-G281 CarbonylContact C-O 3.5Å; H272-G281 VanDerWaalsContact CA-O 3.27Å; H272-G281 WeakPolarHBondContact CA-O 3.36Å; G273-G281 PolarHBondContact N-O 2.84Å; G273-G281 PolarHBondContact O-N 2.88Å
282H98.8Very high98.4Very high4 Ų433 Ų332%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-78.4123.7179.2-178.6106.1000111.8I220 H221 R267 H270 H272 D319I220-H282 CarbonylContact C-O 3.55Å; I220-H282 WeakPolarHBondContact CA-O 3.14Å; I220-H282 WeakPolarHBondContact CB-O 3.46Å; H221-H282 WeakPolarHBondContact CE1-CB 3.48Å; H221-H282 AromaticContact CE1-CD2 3.23Å; H221-H282 PolarHBondContact CE1-CD2 2.61Å; H221-H282 AromaticContact CE1-CE1 3.96Å; H221-H282 AromaticContact CE1-CG 3.09Å; H221-H282 AromaticContact CE1-ND1 3.59Å; H221-H282 AromaticContact CE1-NE2 3.81Å; H221-H282 PolarHBondContact N-O 3.14Å; H221-H282 AromaticContact ND1-CD2 3.32Å; H221-H282 PolarHBondContact ND1-CD2 3.27Å; H221-H282 VanDerWaalsContact ND1-CD2 3.32Å; H221-H282 AromaticContact ND1-CG 3.48Å; H221-H282 WeakPolarHBondContact NE2-CB 3.26Å; H221-H282 AromaticContact NE2-CG 3.66Å; H221-H282 PolarHBondContact O-N 3.43Å; R267-H282 PolarHBondContact NH2-CE1 2.71Å; H270-H282 AromaticContact CD2-CE1 3.35Å; H270-H282 PolarHBondContact CD2-CE1 2.97Å; H270-H282 AromaticContact CD2-ND1 3.43Å; H270-H282 PolarHBondContact CD2-ND1 3.04Å; H270-H282 AromaticContact NE2-CE1 3.48Å; H270-H282 PolarHBondContact NE2-CE1 2.97Å; H270-H282 AromaticContact NE2-ND1 3.19Å; H270-H282 PolarHBondContact NE2-ND1 3.16Å; H270-H282 VanDerWaalsContact NE2-ND1 3.19Å; H272-H282 VanDerWaalsContact CD2-CA 3.47Å; H272-H282 WeakPolarHBondContact CD2-CA 3.35Å; H272-H282 AromaticContact CD2-CG 3.91Å; H272-H282 AromaticContact CD2-ND1 3.59Å; H272-H282 AromaticContact NE2-CG 3.82Å; H272-H282 AromaticContact NE2-ND1 3.31Å; H272-H282 PolarHBondContact NE2-ND1 3.14Å; H282-D319 PolarHBondContact NE2-O 2.62Å; H282-D319 PolarHBondContact NE2-OXT 3.23Å
283Y98.8Very high98.4Very high8 Ų834.5 Ų34.53%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-88.2134.8-177.4164.9-90.2000112.9V189 F211 I213 A218 T271 Y294V189-Y283 HydrophobicContact CG2-CE1 4.18Å; F211-Y283 HydrophobicContact CZ-CE1 4.37Å; I213-Y283 HydrophobicContact CD1-CD2 4.3Å; I213-Y283 HydrophobicContact CD1-CE2 3.99Å; A218-Y283 HydrophobicContact CB-CD2 3.86Å; A218-Y283 HydrophobicContact CB-CE2 3.92Å; T271-Y283 HydrophobicContact CG2-CD1 4Å; T271-Y283 HydrophobicContact CG2-CG 4.23Å; T271-Y283 PolarHBondContact O-N 2.9Å; Y283-Y294 PolarHBondContact OH-OH 3.18Å; Y283-Y294 VanDerWaalsContact OH-OH 3.11Å
284Y98.4Very high98.5Very high38 Ų3834.6 Ų34.615%0.14918%0.183CC..EExtended strand (participates in β ladder)trans-105-61.8169.7-69.3-89.3000112.4S187 K219 H221 H244 D319S187-Y284 WeakPolarHBondContact CB-O 3.35Å; K219-Y284 HydrophobicContact CD-CD2 4.35Å; K219-Y284 HydrophobicContact CD-CG 4.48Å; K219-Y284 HydrophobicContact CG-CD2 4.1Å; K219-Y284 PolarHBondContact O-N 3.43Å; H221-Y284 HydrophobicContact CB-CE2 3.83Å; H221-Y284 AromaticContact CG-CE2 3.84Å; H221-Y284 AromaticContact ND1-CE2 3.13Å; H221-Y284 WeakPolarHBondContact ND1-CE2 3.49Å; H221-Y284 AromaticContact ND1-CZ 3.2Å; H221-Y284 PolarHBondContact ND1-OH 3.28Å; H244-Y284 AromaticContact CD2-CE2 3.67Å; H244-Y284 AromaticContact NE2-CE2 3.49Å; H244-Y284 WeakPolarHBondContact NE2-CE2 3.25Å; H244-Y284 AromaticContact NE2-CZ 3.52Å; H244-Y284 PolarHBondContact NE2-OH 2.63Å; Y284-D319 HydrophobicContact CE1-CB 4.16Å
285I98.7Very high98.5Very high41 Ų4135.4 Ų35.421%0.2119%0.187CC..EExtended strand (participates in β ladder)trans-165159.4-170-167.3161.3000110.1A218 K219A218-I285 CarbonylContact C-O 3.52Å; A218-I285 WeakPolarHBondContact CA-O 3.43Å; K219-I285 HydrophobicContact CB-CG2 4.46Å; K219-I285 PolarHBondContact N-O 2.86Å
286D98.8Very high98.5Very high2 Ų235.3 Ų35.31%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-66.2149164.560.3-81.8000112.9R182 K217 P289 V292 Y294R182-D286 WeakPolarHBondContact CD-OD1 3.29Å; R182-D286 IonicContact CZ-OD1 3.53Å; R182-D286 IonicContact CZ-OD2 3.71Å; R182-D286 VanDerWaalsContact CZ-OD2 3.28Å; R182-D286 IonicContact NE-OD1 2.68Å; R182-D286 PolarHBondContact NE-OD1 3.16Å; R182-D286 IonicContact NE-OD2 3.5Å; R182-D286 PolarHBondContact NE-OD2 3.34Å; R182-D286 PolarHBondContact NH2-O 2.73Å; R182-D286 VanDerWaalsContact NH2-O 3.09Å; R182-D286 IonicContact NH2-OD1 3.86Å; R182-D286 IonicContact NH2-OD2 3.52Å; R182-D286 PolarHBondContact NH2-OD2 2.9Å; K217-D286 CarbonylContact O-C 3.6Å; K217-D286 WeakPolarHBondContact O-CA 3.26Å; K217-D286 WeakPolarHBondContact O-CB 3.38Å; D286-P289 VanDerWaalsContact OD2-CA 3.25Å; D286-P289 WeakPolarHBondContact OD2-CA 3.14Å; D286-V292 HydrophobicContact CB-CB 4.11Å; D286-V292 HydrophobicContact CB-CG1 4.39Å; D286-V292 HydrophobicContact CB-CG2 3.79Å; D286-Y294 VanDerWaalsContact CB-OH 3.27Å; D286-Y294 WeakPolarHBondContact CB-OH 3.46Å; D286-Y294 PolarHBondContact OD1-OH 2.74Å
287T98.8Very high98.6Very high54 Ų5431 Ų3133%0.33117%0.17SC..SBendtrans-107-1.7173.856.40000113K217 K219 E246 P289K217-T287 WeakPolarHBondContact CB-OG1 3Å; K217-T287 PolarHBondContact O-N 3.15Å; K219-T287 HydrophobicContact CB-CG2 3.8Å; E246-T287 WeakPolarHBondContact CG-OG1 3.44Å; E246-T287 VanDerWaalsContact OE1-CB 3.26Å; E246-T287 WeakPolarHBondContact OE1-CB 3.44Å; E246-T287 PolarHBondContact OE1-OG1 2.67Å; T287-P289 WeakPolarHBondContact O-CD 3.37Å
288T98.7Very high98.6Very high35 Ų3527 Ų2722%0.21515%0.152CC..  trans-122.365177.859.60000110.7G216 K217 D290 T291 V292G216-T288 WeakPolarHBondContact CA-OG1 3.2Å; K217-T288 HydrophobicContact CB-CG2 4.02Å; K217-T288 HydrophobicContact CD-CG2 4.36Å; K217-T288 HydrophobicContact CG-CG2 4.08Å; K217-T288 PolarHBondContact N-OG1 2.94Å; T288-D290 VanDerWaalsContact C-N 3.25Å; T288-D290 PolarHBondContact O-N 2.85Å; T288-T291 PolarHBondContact O-N 2.92Å; T288-T291 VanDerWaalsContact O-N 3.13Å; T288-T291 PolarHBondContact O-OG1 3.33Å; T288-V292 PolarHBondContact O-N 3.26Å
289P98.6Very high98.7Very high37 Ų3726.3 Ų26.324%0.2414%0.142CC..THydrogen-bonded Turntrans-55.2-38.7-171.418-31.1000113.2R181 R182 D286 T287 T291R181-P289 CarbonylContact C-O 3.37Å; R181-P289 WeakPolarHBondContact CA-O 3.45Å; R182-P289 HydrophobicContact CB-CB 4.04Å; R182-P289 PolarHBondContact N-O 2.89Å; R182-P289 WeakPolarHBondContact O-CB 3.46Å; D286-P289 VanDerWaalsContact OD2-CA 3.25Å; D286-P289 WeakPolarHBondContact OD2-CA 3.14Å; T287-P289 WeakPolarHBondContact O-CD 3.37Å; P289-T291 PolarHBondContact O-N 3.32Å
290D98.6Very high98.7Very high119 Ų11924.3 Ų24.364%0.63613%0.133SC*.THydrogen-bonded Turntrans-72.1-14.9-175.2-61.2-44.7000114.6R181 T288R181-D290 WeakPolarHBondContact CG-O 3.34Å; T288-D290 VanDerWaalsContact C-N 3.25Å; T288-D290 PolarHBondContact O-N 2.85Å
291T98.6Very high98.7Very high83 Ų8324.3 Ų24.351%0.50913%0.133SC..THydrogen-bonded Turntrans-129-4.6-173.762.20000114T288 P289T288-T291 PolarHBondContact O-N 2.92Å; T288-T291 VanDerWaalsContact O-N 3.13Å; T288-T291 PolarHBondContact O-OG1 3.33Å; P289-T291 PolarHBondContact O-N 3.32Å
292V98.8Very high98.7Very high0 Ų028.1 Ų28.10%015%0.151CC..  trans-63.9137-178.971.80000111.2K180 R181 R182 I213 K215 D286 T288 Y294K180-V292 WeakPolarHBondContact CA-O 3.33Å; R181-V292 PolarHBondContact N-O 3.3Å; R182-V292 HydrophobicContact CB-CG1 4.19Å; I213-V292 HydrophobicContact CG2-CG2 3.96Å; K215-V292 WeakPolarHBondContact O-CA 3.44Å; D286-V292 HydrophobicContact CB-CB 4.11Å; D286-V292 HydrophobicContact CB-CG1 4.39Å; D286-V292 HydrophobicContact CB-CG2 3.79Å; T288-V292 PolarHBondContact O-N 3.26Å; V292-Y294 HydrophobicContact CB-CE2 4.23Å; V292-Y294 HydrophobicContact CG1-CD2 4.32Å; V292-Y294 HydrophobicContact CG1-CE2 3.76Å; V292-Y294 HydrophobicContact CG2-CD2 3.97Å; V292-Y294 HydrophobicContact CG2-CE1 4.2Å; V292-Y294 HydrophobicContact CG2-CE2 3.39Å
293E98.9Very high98.7Very high32 Ų3230.1 Ų30.115%0.1516%0.16CC..EExtended strand (participates in β ladder)trans-128.7123.5172.6-63.2-168.2-148.300109.6K180 I213 Q214 K215K180-E293 HydrophobicContact CB-CG 4.24Å; K180-E293 HydrophobicContact CD-CG 3.87Å; K180-E293 VanDerWaalsContact CE-OE2 3.24Å; K180-E293 WeakPolarHBondContact CE-OE2 3.24Å; K180-E293 HydrophobicContact CG-CB 4.28Å; K180-E293 HydrophobicContact CG-CG 3.91Å; K180-E293 IonicContact NZ-OE1 2.67Å; K180-E293 IonicContact NZ-OE2 3.73Å; K180-E293 PolarHBondContact NZ-OE2 2.68Å; I213-E293 CarbonylContact C-O 3.54Å; Q214-E293 HydrophobicContact CB-CB 4.22Å; Q214-E293 PolarHBondContact N-O 2.91Å; K215-E293 HydrophobicContact CB-CB 4.14Å; K215-E293 HydrophobicContact CB-CG 4.14Å; K215-E293 HydrophobicContact CD-CG 4.22Å; K215-E293 VanDerWaalsContact CD-OE1 3.25Å; K215-E293 WeakPolarHBondContact CD-OE1 3.41Å; K215-E293 WeakPolarHBondContact CE-OE1 3.48Å; K215-E293 HydrophobicContact CG-CB 4.43Å; K215-E293 HydrophobicContact CG-CG 4.33Å; K215-E293 IonicContact NZ-OE1 2.71Å; K215-E293 PolarHBondContact NZ-OE1 2.67Å; K215-E293 PolarHBondContact O-N 3.17Å
294Y98.9Very high98.7Very high2 Ų229.8 Ų29.81%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-110141177.7-65.5-78.4000111.3F32 R178 A179 L188 F211 I212 I213 Y283 D286 V292F32-Y294 AromaticContact CE1-CD2 3.86Å; F32-Y294 HydrophobicContact CE1-CD2 3.86Å; F32-Y294 AromaticContact CE1-CE2 3.72Å; F32-Y294 HydrophobicContact CE1-CE2 3.72Å; F32-Y294 HydrophobicContact CZ-CD2 4.32Å; F32-Y294 HydrophobicContact CZ-CE2 4.09Å; R178-Y294 WeakPolarHBondContact CA-O 3.44Å; A179-Y294 HydrophobicContact CB-CD2 4.49Å; A179-Y294 PolarHBondContact N-O 3.39Å; A179-Y294 VanDerWaalsContact N-O 3.17Å; A179-Y294 WeakPolarHBondContact O-CB 3.4Å; A179-Y294 PolarHBondContact O-N 3.02Å; L188-Y294 HydrophobicContact CB-CD1 4.38Å; L188-Y294 HydrophobicContact CB-CD2 4.42Å; L188-Y294 HydrophobicContact CB-CE1 4.26Å; L188-Y294 HydrophobicContact CB-CE2 4.31Å; L188-Y294 HydrophobicContact CB-CG 4.44Å; L188-Y294 HydrophobicContact CD2-CD1 3.73Å; L188-Y294 HydrophobicContact CD2-CE1 4.33Å; L188-Y294 HydrophobicContact CD2-CG 3.83Å; F211-Y294 AromaticContact CD2-CD1 3.86Å; F211-Y294 HydrophobicContact CD2-CD1 3.86Å; F211-Y294 HydrophobicContact CD2-CE1 4.29Å; F211-Y294 AromaticContact CE2-CD1 3.93Å; F211-Y294 HydrophobicContact CE2-CD1 3.93Å; F211-Y294 AromaticContact CE2-CE1 3.88Å; F211-Y294 HydrophobicContact CE2-CE1 3.88Å; I212-Y294 WeakPolarHBondContact O-CA 3.08Å; I213-Y294 HydrophobicContact CB-CE1 4.48Å; I213-Y294 HydrophobicContact CD1-CE1 3.95Å; I213-Y294 HydrophobicContact CG1-CD1 4.04Å; I213-Y294 HydrophobicContact CG1-CE1 3.68Å; I213-Y294 HydrophobicContact CG2-CE1 4.44Å; Y283-Y294 PolarHBondContact OH-OH 3.18Å; Y283-Y294 VanDerWaalsContact OH-OH 3.11Å; D286-Y294 VanDerWaalsContact CB-OH 3.27Å; D286-Y294 WeakPolarHBondContact CB-OH 3.46Å; D286-Y294 PolarHBondContact OD1-OH 2.74Å; V292-Y294 HydrophobicContact CB-CE2 4.23Å; V292-Y294 HydrophobicContact CG1-CD2 4.32Å; V292-Y294 HydrophobicContact CG1-CE2 3.76Å; V292-Y294 HydrophobicContact CG2-CD2 3.97Å; V292-Y294 HydrophobicContact CG2-CE1 4.2Å; V292-Y294 HydrophobicContact CG2-CE2 3.39Å
295L98.9Very high98.7Very high16 Ų1628.1 Ų28.18%0.08415%0.152CC..EExtended strand (participates in β ladder)trans-133.4117.3165.3170.663.3000109.2E176 V177 R178 F211 I212 Q214 Y297E176-L295 HydrophobicContact CG-CD1 3.7Å; V177-L295 CarbonylContact O-C 3.56Å; V177-L295 WeakPolarHBondContact O-CA 3.37Å; R178-L295 HydrophobicContact CG-CD1 3.76Å; F211-L295 CarbonylContact C-O 3.55Å; F211-L295 VanDerWaalsContact CA-O 3.25Å; F211-L295 WeakPolarHBondContact CA-O 3.41Å; F211-L295 WeakPolarHBondContact CB-O 3.49Å; I212-L295 HydrophobicContact CG2-CB 3.84Å; I212-L295 HydrophobicContact CG2-CD2 4.42Å; I212-L295 HydrophobicContact CG2-CG 4.35Å; I212-L295 WeakPolarHBondContact CG2-O 3.27Å; I212-L295 PolarHBondContact N-O 2.84Å; I212-L295 PolarHBondContact O-N 2.88Å; Q214-L295 HydrophobicContact CG-CB 4.18Å; L295-Y297 HydrophobicContact CD1-CE2 4.41Å; L295-Y297 HydrophobicContact CD2-CE2 4.4Å; L295-Y297 HydrophobicContact CG-CE2 4.18Å
296G98.8Very high98.7Very high0 Ų026.3 Ų26.30%014%0.142CC..EExtended strand (participates in β ladder)trans-129.2154.1-177.600000114.3E176 V177 T210 F211E176-G296 CarbonylContact C-O 3.53Å; E176-G296 VanDerWaalsContact CA-O 3.28Å; E176-G296 WeakPolarHBondContact CA-O 3.47Å; V177-G296 PolarHBondContact N-O 2.85Å; V177-G296 PolarHBondContact O-N 3Å; T210-G296 CarbonylContact O-C 3.55Å; T210-G296 WeakPolarHBondContact O-CA 3.45Å; F211-G296 VanDerWaalsContact CB-CA 3.44Å
297Y98.9Very high98.7Very high15 Ų1526.3 Ų26.36%0.05914%0.142CC..EExtended strand (participates in β ladder)trans-128.1118.8175.2-59.8-71.9000109.1V40 P43 F50 L57 V174 I175 E176 G209 T210 L295V40-Y297 HydrophobicContact CG2-CE1 4.22Å; P43-Y297 HydrophobicContact CG-CD1 4.38Å; P43-Y297 HydrophobicContact CG-CD2 4.01Å; P43-Y297 HydrophobicContact CG-CE1 3.94Å; P43-Y297 HydrophobicContact CG-CE2 3.54Å; P43-Y297 HydrophobicContact CG-CG 4.41Å; F50-Y297 HydrophobicContact CE2-CD2 4.26Å; F50-Y297 AromaticContact CE2-CE2 3.98Å; F50-Y297 HydrophobicContact CE2-CE2 3.98Å; F50-Y297 AromaticContact CZ-CD2 3.94Å; F50-Y297 HydrophobicContact CZ-CD2 3.94Å; F50-Y297 AromaticContact CZ-CE2 3.88Å; F50-Y297 HydrophobicContact CZ-CE2 3.88Å; L57-Y297 WeakPolarHBondContact CD1-O 3.27Å; V174-Y297 HydrophobicContact CG2-CD1 3.78Å; V174-Y297 HydrophobicContact CG2-CG 4.43Å; I175-Y297 VanDerWaalsContact O-CA 3.31Å; I175-Y297 WeakPolarHBondContact O-CA 3.46Å; E176-Y297 HydrophobicContact CB-CD1 4.05Å; E176-Y297 HydrophobicContact CB-CE1 3.8Å; E176-Y297 HydrophobicContact CG-CD1 4.22Å; E176-Y297 HydrophobicContact CG-CE1 3.62Å; E176-Y297 WeakPolarHBondContact OE2-CE1 3.39Å; E176-Y297 PolarHBondContact OE2-OH 2.79Å; G209-Y297 WeakPolarHBondContact CA-O 3.37Å; T210-Y297 PolarHBondContact N-O 2.95Å; T210-Y297 VanDerWaalsContact N-O 3.1Å; T210-Y297 PolarHBondContact O-N 3.04Å; L295-Y297 HydrophobicContact CD1-CE2 4.41Å; L295-Y297 HydrophobicContact CD2-CE2 4.4Å; L295-Y297 HydrophobicContact CG-CE2 4.18Å
298F98.9Very high98.6Very high1 Ų125.3 Ų25.30%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-132.7154-172.8-58.2-82000112.3I175 V177 L192 G208 F211I175-F298 PolarHBondContact N-O 2.84Å; I175-F298 PolarHBondContact O-N 2.96Å; V177-F298 HydrophobicContact CB-CD2 4.46Å; V177-F298 HydrophobicContact CB-CE2 4.27Å; V177-F298 HydrophobicContact CG2-CD2 3.98Å; V177-F298 HydrophobicContact CG2-CE2 4.2Å; L192-F298 HydrophobicContact CD1-CD2 4.46Å; L192-F298 HydrophobicContact CD1-CE1 4.4Å; L192-F298 HydrophobicContact CD1-CE2 3.95Å; L192-F298 HydrophobicContact CD1-CZ 3.91Å; G208-F298 WeakPolarHBondContact O-CA 3.33Å; F211-F298 HydrophobicContact CB-CZ 4Å; F211-F298 HydrophobicContact CD1-CE1 4.35Å; F211-F298 AromaticContact CD1-CZ 3.9Å; F211-F298 HydrophobicContact CD1-CZ 3.9Å; F211-F298 HydrophobicContact CG-CZ 4.34Å
299L98.8Very high98.5Very high13 Ų1327.7 Ų27.77%0.06814%0.14CC..EExtended strand (participates in β ladder)trans-133.7145.3169.6-80.7170.8000111.1L17 L57 C58 Y165 V174 L207 G208L17-L299 HydrophobicContact CD1-CD2 4.15Å; L17-L299 HydrophobicContact CD2-CD2 3.86Å; L57-L299 HydrophobicContact CB-CD1 4.13Å; L57-L299 VanDerWaalsContact O-CD1 3.28Å; L57-L299 WeakPolarHBondContact O-CD1 3.1Å; C58-L299 HydrophobicContact CB-CD1 4.38Å; Y165-L299 WeakPolarHBondContact OH-CD1 3.05Å; V174-L299 HydrophobicContact CG1-CD1 4.04Å; V174-L299 HydrophobicContact CG1-CD2 4.32Å; V174-L299 HydrophobicContact CG1-CG 3.99Å; L207-L299 WeakPolarHBondContact CA-O 3.35Å; G208-L299 PolarHBondContact N-O 3.31Å; G208-L299 VanDerWaalsContact N-O 3.12Å; G208-L299 PolarHBondContact O-N 2.79Å
300P98.7Very high98.4Very high11 Ų1126.3 Ų26.37%0.07113%0.131CC..EExtended strand (participates in β ladder)trans-68.2137.216730.8-33.8000110.5A14 L17 L20 P61 A206 L207A14-P300 HydrophobicContact CB-CB 4.15Å; A14-P300 HydrophobicContact CB-CG 4.47Å; L17-P300 HydrophobicContact CD2-CG 3.95Å; L20-P300 HydrophobicContact CD1-CB 3.87Å; L20-P300 HydrophobicContact CD1-CG 3.75Å; P61-P300 WeakPolarHBondContact CG-O 3.21Å; A206-P300 VanDerWaalsContact O-CA 3.32Å; A206-P300 WeakPolarHBondContact O-CA 3.5Å; L207-P300 HydrophobicContact CD2-CB 4.17Å
301A98.6Very high98.2Very high0 Ų029.8 Ų29.80%014%0.141CC..  trans-83.2141.817200000111L12 I63 A206L12-A301 HydrophobicContact CD1-CB 3.94Å; I63-A301 HydrophobicContact CB-CB 4.48Å; I63-A301 HydrophobicContact CG1-CB 4.23Å; I63-A301 HydrophobicContact CG2-CB 3.87Å; A206-A301 HydrophobicContact CB-CB 4.21Å; A206-A301 PolarHBondContact O-N 3.07Å
302E98.4Very high98Very high79 Ų7932.8 Ų32.837%0.36915%0.153SC..SBendtrans-82.7-28.9176.8-66169.3-174.800111.8L12 P61L12-E302 PolarHBondContact N-O 2.99Å; P61-E302 HydrophobicContact CG-CG 4.21Å; P61-E302 PolarHBondContact O-N 3.21Å
303F98.6Very high97.8Very high47 Ų4736.3 Ų36.321%0.20618%0.175CC..EExtended strand (participates in β ladder)trans-140.5149.9-175.9-60.5-82.2000111.3K9 V10 Q11 R62 I63 Y305K9-F303 HydrophobicContact CD-CD1 4.47Å; K9-F303 VanDerWaalsContact CE-CD1 3.49Å; K9-F303 HydrophobicContact CG-CD1 4.24Å; V10-F303 WeakPolarHBondContact O-CA 3.2Å; Q11-F303 HydrophobicContact CB-CD1 4.16Å; Q11-F303 HydrophobicContact CB-CE1 4Å; Q11-F303 HydrophobicContact CG-CD1 4.43Å; Q11-F303 HydrophobicContact CG-CE1 4.04Å; R62-F303 WeakPolarHBondContact CA-O 3.11Å; R62-F303 HydrophobicContact CB-CB 4.24Å; I63-F303 PolarHBondContact N-O 3.26Å; F303-Y305 HydrophobicContact CB-CD2 4.2Å; F303-Y305 HydrophobicContact CB-CE2 3.65Å; F303-Y305 HydrophobicContact CG-CE2 4.39Å
304V98.5Very high97.7Very high0 Ų037.1 Ų37.10%018%0.179CC..EExtended strand (participates in β ladder)trans-110.4135159.859.70000109.6K9 V10 L12 I63 P262 L264 L266K9-V304 WeakPolarHBondContact CA-O 3.48Å; V10-V304 HydrophobicContact CB-CG1 3.73Å; V10-V304 HydrophobicContact CG1-CG1 4.34Å; V10-V304 PolarHBondContact N-O 2.84Å; V10-V304 PolarHBondContact O-N 2.72Å; L12-V304 HydrophobicContact CD1-CB 4.14Å; L12-V304 HydrophobicContact CD2-CB 4.33Å; L12-V304 HydrophobicContact CD2-CG1 3.88Å; L12-V304 HydrophobicContact CG-CB 4.34Å; L12-V304 HydrophobicContact CG-CG1 4.22Å; I63-V304 HydrophobicContact CD1-CB 3.94Å; I63-V304 HydrophobicContact CD1-CG2 3.74Å; I63-V304 HydrophobicContact CG1-CB 3.8Å; I63-V304 HydrophobicContact CG1-CG2 3.89Å; I63-V304 WeakPolarHBondContact O-CA 3.34Å; P262-V304 HydrophobicContact CG-CG1 4.45Å; L264-V304 HydrophobicContact CD1-CG1 3.82Å; L266-V304 HydrophobicContact CD1-CG2 4.15Å; L266-V304 HydrophobicContact CD2-CG2 4.25Å
305Y98.6Very high97.5Very high3 Ų342.5 Ų42.51%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-111127.7170.9-68.2-101.7000108.8T7 E8 K9 R62 I63 T64 D65 L91 E92 F303T7-Y305 HydrophobicContact CG2-CD1 3.88Å; E8-Y305 CarbonylContact O-C 3.59Å; E8-Y305 WeakPolarHBondContact O-CA 3.44Å; K9-Y305 HydrophobicContact CB-CD1 4.26Å; K9-Y305 HydrophobicContact CB-CE1 4.16Å; K9-Y305 HydrophobicContact CD-CE1 3.72Å; K9-Y305 WeakPolarHBondContact CE-OH 3.26Å; K9-Y305 HydrophobicContact CG-CD1 4.3Å; K9-Y305 HydrophobicContact CG-CE1 3.85Å; K9-Y305 PolarHBondContact NZ-OH 2.83Å; R62-Y305 HydrophobicContact CB-CD2 4.32Å; R62-Y305 HydrophobicContact CB-CE2 4.11Å; R62-Y305 HydrophobicContact CG-CD2 4.48Å; R62-Y305 HydrophobicContact CG-CE2 4.3Å; I63-Y305 PolarHBondContact O-N 2.98Å; T64-Y305 CarbonylContact C-O 3.52Å; T64-Y305 WeakPolarHBondContact CA-O 3.47Å; T64-Y305 PolarHBondContact OG1-O 3.41Å; T64-Y305 VanDerWaalsContact OG1-O 3.1Å; D65-Y305 PolarHBondContact N-O 2.83Å; L91-Y305 VanDerWaalsContact CD2-CB 3.41Å; L91-Y305 HydrophobicContact CD2-CD1 4.1Å; L91-Y305 HydrophobicContact CD2-CD2 3.77Å; L91-Y305 HydrophobicContact CD2-CG 3.5Å; L91-Y305 VanDerWaalsContact CD2-CG 3.5Å; L91-Y305 PolarHBondContact O-OH 2.84Å; E92-Y305 PolarHBondContact OE2-OH 2.9Å; F303-Y305 HydrophobicContact CB-CD2 4.2Å; F303-Y305 HydrophobicContact CB-CE2 3.65Å; F303-Y305 HydrophobicContact CG-CE2 4.39Å
306R98.3Very high97.3Very high3 Ų342.8 Ų42.81%0.01121%0.214CC..EExtended strand (participates in β ladder)trans-108.6115.5174.6-176.172.9178101-9.1108.3T7 E8 D65 G67 L264 R309T7-R306 WeakPolarHBondContact CA-O 3.18Å; E8-R306 HydrophobicContact CB-CB 4.2Å; E8-R306 PolarHBondContact N-O 2.98Å; E8-R306 PolarHBondContact O-N 3.27Å; D65-R306 WeakPolarHBondContact O-CA 3.41Å; D65-R306 WeakPolarHBondContact O-CD 3.47Å; D65-R306 PolarHBondContact O-NH1 3.11Å; D65-R306 IonicContact OD1-CZ 3.62Å; D65-R306 IonicContact OD1-NH1 3.26Å; D65-R306 PolarHBondContact OD1-NH1 3.12Å; D65-R306 IonicContact OD1-NH2 3.73Å; G67-R306 PolarHBondContact O-NH1 3.34Å; G67-R306 PolarHBondContact O-NH2 3.21Å; L264-R306 HydrophobicContact CB-CB 4.34Å; L264-R306 HydrophobicContact CB-CG 4.3Å; L264-R306 HydrophobicContact CD1-CB 4.22Å; L264-R306 HydrophobicContact CD2-CB 4.46Å; L264-R306 WeakPolarHBondContact O-CD 3.42Å; L264-R306 PolarHBondContact O-NE 3.25Å; R306-R309 HydrophobicContact CG-CB 3.87Å; R306-R309 HydrophobicContact CG-CG 4.45Å
307I98.2Very high97Very high2 Ų243.5 Ų43.51%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-116.5132-174.3-59.4171.7000108.8T7 D65 V66 G67 I87 E90 L91 R309T7-I307 HydrophobicContact CG2-CD1 4.38Å; T7-I307 HydrophobicContact CG2-CG1 3.69Å; D65-I307 PolarHBondContact O-N 3.36Å; V66-I307 WeakPolarHBondContact CA-O 3.46Å; V66-I307 HydrophobicContact CB-CB 4.44Å; V66-I307 HydrophobicContact CG1-CB 4.13Å; V66-I307 HydrophobicContact CG1-CG2 4.09Å; V66-I307 HydrophobicContact CG2-CB 4.13Å; V66-I307 HydrophobicContact CG2-CD1 4.2Å; G67-I307 PolarHBondContact N-O 3.39Å; I87-I307 HydrophobicContact CD1-CD1 3.71Å; I87-I307 HydrophobicContact CD1-CG2 4.15Å; I87-I307 HydrophobicContact CG2-CD1 4.11Å; E90-I307 HydrophobicContact CB-CD1 4.17Å; E90-I307 WeakPolarHBondContact OE2-CD1 3.41Å; E90-I307 WeakPolarHBondContact OE2-CG2 3.27Å; L91-I307 HydrophobicContact CD2-CD1 4.1Å; I307-R309 VanDerWaalsContact C-N 3.29Å; I307-R309 PolarHBondContact O-N 2.94Å
308D97.1Very high96.6Very high33 Ų3345.4 Ų45.418%0.17623%0.229CC..SBendtrans49.346.2178.9-168.127000113.9S5 Y71 K80 Y82S5-D308 WeakPolarHBondContact OG-CA 3.36Å; S5-D308 PolarHBondContact OG-N 2.94Å; Y71-D308 VanDerWaalsContact CE2-O 3.26Å; Y71-D308 WeakPolarHBondContact CE2-O 3.34Å; Y71-D308 WeakPolarHBondContact CE2-OD2 3.22Å; Y71-D308 PolarHBondContact OH-O 2.66Å; Y71-D308 VanDerWaalsContact OH-O 3.06Å; Y71-D308 PolarHBondContact OH-OD1 3.45Å; Y71-D308 VanDerWaalsContact OH-OD1 3.08Å; K80-D308 WeakPolarHBondContact CD-OD2 3.13Å; K80-D308 VanDerWaalsContact NZ-CG 3.3Å; K80-D308 IonicContact NZ-OD1 3.74Å; K80-D308 PolarHBondContact NZ-OD1 3.21Å; K80-D308 IonicContact NZ-OD2 2.74Å; K80-D308 PolarHBondContact NZ-OD2 3.44Å; Y82-D308 HydrophobicContact CE1-CB 3.89Å; Y82-D308 WeakPolarHBondContact CE1-OD2 3.47Å; Y82-D308 PolarHBondContact OH-OD2 3.2Å
309R96.6Very high95.8Very high85 Ų8551.2 Ų51.232%0.32126%0.26SS..  trans-53.2129.6176.1178.6165.661.7162-8.3110.9E8 G263 L264 R306 I307 K311E8-R309 IonicContact OE1-CZ 3.67Å; E8-R309 IonicContact OE1-NH2 3.18Å; E8-R309 PolarHBondContact OE1-NH2 3.33Å; E8-R309 IonicContact OE2-CZ 2.72Å; E8-R309 IonicContact OE2-NE 3.82Å; E8-R309 PolarHBondContact OE2-NE 3.27Å; E8-R309 VanDerWaalsContact OE2-NE 3.07Å; E8-R309 IonicContact OE2-NH2 3.78Å; E8-R309 PolarHBondContact OE2-NH2 3.34Å; G263-R309 PolarHBondContact O-NH1 2.81Å; G263-R309 VanDerWaalsContact O-NH1 3.14Å; L264-R309 WeakPolarHBondContact O-CD 3.23Å; R306-R309 HydrophobicContact CG-CB 3.87Å; R306-R309 HydrophobicContact CG-CG 4.45Å; I307-R309 VanDerWaalsContact C-N 3.29Å; I307-R309 PolarHBondContact O-N 2.94Å; R309-K311 PolarHBondContact O-N 3.23Å
310P96.3Very high95.6Very high9 Ų953.1 Ų53.16%0.05827%0.269CS..  trans-54.6132.1174-26.435.2000111.7G67 P70 Y71 D312G67-P310 WeakPolarHBondContact O-CD 3.46Å; P70-P310 HydrophobicContact CB-CB 3.77Å; P70-P310 HydrophobicContact CB-CG 3.9Å; P70-P310 HydrophobicContact CG-CB 4.13Å; P70-P310 HydrophobicContact CG-CG 4.02Å; Y71-P310 HydrophobicContact CD1-CB 4.27Å; Y71-P310 HydrophobicContact CD1-CG 4.07Å; Y71-P310 HydrophobicContact CD2-CG 4.42Å; Y71-P310 HydrophobicContact CE1-CB 3.78Å; Y71-P310 HydrophobicContact CE1-CG 3.83Å; Y71-P310 HydrophobicContact CE2-CG 4.17Å; Y71-P310 HydrophobicContact CG-CG 4.37Å; P310-D312 WeakPolarHBondContact CB-O 3.16Å
311K94Very high95.4Very high192 Ų19255.3 Ų55.384%0.83528%0.28SS*.SBendtrans-71-40.5174.8-68.6-179.4-179.8175.10111.2R309R309-K311 PolarHBondContact O-N 3.23Å
312D94.3Very high95.3Very high145 Ų14558.4 Ų58.478%0.77530%0.295SS*.SBendtrans-102.6123.3173.1-56.2-55.6000108P70 P310P70-D312 WeakPolarHBondContact CB-O 3.32Å; P310-D312 WeakPolarHBondContact CB-O 3.16Å
313T95.9Very high95.1Very high74 Ų7457.2 Ų57.245%0.45429%0.291SS..  trans-131.4163-175.1-165.70000112.1P70 D265 R318P70-T313 WeakPolarHBondContact CG-OG1 3.48Å; D265-T313 WeakPolarHBondContact OD2-CB 3.33Å; D265-T313 PolarHBondContact OD2-OG1 3.37Å; T313-R318 PolarHBondContact OG1-NH2 2.93Å
314H96.1Very high94.9Very high50 Ų5057.8 Ų57.823%0.23130%0.296CS..  trans-153.5168.5176.559.469.5000110.2I73 V316 R318I73-H314 PolarHBondContact O-NE2 2.9Å; I73-H314 VanDerWaalsContact O-NE2 3.16Å; H314-V316 PolarHBondContact CE1-O 3.27Å; H314-V316 VanDerWaalsContact CE1-O 3.22Å; H314-V316 PolarHBondContact ND1-N 3.48Å; H314-V316 PolarHBondContact ND1-O 3.48Å; H314-R318 VanDerWaalsContact O-CZ 3.28Å; H314-R318 PolarHBondContact O-NE 3.1Å; H314-R318 PolarHBondContact O-NH2 3.12Å
315T94.4Very high94.6Very high115 Ų11561.7 Ų61.771%0.70632%0.316SS*.SBendtrans-93.2-9179.355.40000114.4R318T315-R318 WeakPolarHBondContact O-CG 3.44Å
316V95.8Very high94.3Very high22 Ų2265.9 Ų65.913%0.13334%0.338CS..THydrogen-bonded Turntrans-64.6142.3-178.5-178.10000112V69 I73 D235 V238 H314V69-V316 WeakPolarHBondContact CG1-O 3.3Å; I73-V316 HydrophobicContact CD1-CB 4.23Å; I73-V316 HydrophobicContact CD1-CG1 3.84Å; D235-V316 VanDerWaalsContact OD1-CA 3.26Å; D235-V316 WeakPolarHBondContact OD1-CA 3.22Å; V238-V316 HydrophobicContact CG2-CG1 3.9Å; H314-V316 PolarHBondContact CE1-O 3.27Å; H314-V316 VanDerWaalsContact CE1-O 3.22Å; H314-V316 PolarHBondContact ND1-N 3.48Å; H314-V316 PolarHBondContact ND1-O 3.48Å
317G92Very high94Very high15 Ų1570.7 Ų70.716%0.15536%0.363CS..THydrogen-bonded Turntrans72.727.3171.100000114.8V69 D235V69-G317 WeakPolarHBondContact CG1-O 3Å; D235-G317 PolarHBondContact OD1-N 3.23Å
318R91.4Very high93.7Very high55 Ų5576.4 Ų76.421%0.20839%0.392CS..  trans-102.311.2-178.5-62.5-169.7-175.9-152.92.3114.2V69 D265 R267 T313 H314 T315V69-R318 HydrophobicContact CG2-CG 4.4Å; D265-R318 VanDerWaalsContact CG-NH2 3.34Å; D265-R318 IonicContact OD1-CZ 2.94Å; D265-R318 IonicContact OD1-NH1 2.89Å; D265-R318 PolarHBondContact OD1-NH1 2.99Å; D265-R318 IonicContact OD1-NH2 2.69Å; D265-R318 PolarHBondContact OD1-NH2 3.19Å; D265-R318 IonicContact OD2-NH2 2.77Å; D265-R318 PolarHBondContact OD2-NH2 3.35Å; R267-R318 PolarHBondContact NE-O 3.2Å; R267-R318 PolarHBondContact NH2-O 2.93Å; T313-R318 PolarHBondContact OG1-NH2 2.93Å; H314-R318 VanDerWaalsContact O-CZ 3.28Å; H314-R318 PolarHBondContact O-NE 3.1Å; H314-R318 PolarHBondContact O-NH2 3.12Å; T315-R318 WeakPolarHBondContact O-CG 3.44Å
319D80.5Confident93.4Very high122 Ų12280.4 Ų80.465%0.65241%0.412SS*.  trans-78.50172.4-73-4.8000111.5R267 H282 Y284R267-D319 PolarHBondContact NH2-O 2.67Å; R267-D319 PolarHBondContact NH2-OXT 2.95Å; H282-D319 PolarHBondContact NE2-O 2.62Å; H282-D319 PolarHBondContact NE2-OXT 3.23Å; Y284-D319 HydrophobicContact CE1-CB 4.16Å

Retrieved 319 of 319 residues in 362.3 ms (Link to these results)

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