A0A087X700_POEFO Loading...

Protein misato homolog 1

Involved in the regulation of mitochondrial distribution and morphology. Required for mitochondrial fusion and mitochondrial network formation.

AlphaFold DB , UniProt , Accession A0A087X700, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 596 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
1M41.6Very low76.9Confident192 Ų19257.3 Ų57.395%0.94633%0.328SS*.  0119.50-65.5-170.9-176.900107
2T39.8Very low78.7Confident152 Ų15252.6 Ų52.693%0.93330%0.301SS*.  trans-132.973.5-175.152.30000109.6
3G52.8Low80.1Confident54 Ų5448.5 Ų48.556%0.55728%0.278SS*.SBendtrans-122.4142.7164.400000107.8S5G3-S5 PolarHBondContact O-N 2.93Å
4V63.7Low81.2Confident103 Ų10345.1 Ų45.162%0.62426%0.258SS*.  trans-62.3102.9175.5177.50000108.1Y233V4-Y233 HydrophobicContact CG1-CD2 3.53Å; V4-Y233 HydrophobicContact CG1-CE2 3.62Å; V4-Y233 HydrophobicContact CG1-CG 4.2Å
5S74.5Confident82.1Confident18 Ų1842.6 Ų42.613%0.12624%0.243CC..  trans-74.2141.5168.635.50000109.4G3 E7 Q44G3-S5 PolarHBondContact O-N 2.93Å; S5-E7 VanDerWaalsContact CB-OE1 3.31Å; S5-E7 WeakPolarHBondContact CB-OE1 3.24Å; S5-E7 PolarHBondContact OG-OE1 3.13Å; S5-Q44 VanDerWaalsContact CA-NE2 3.27Å; S5-Q44 VanDerWaalsContact CB-NE2 3.32Å
6R89.1Confident83Confident108 Ų10840.2 Ų40.241%0.40823%0.229SC..  trans-10699.9167.6-70.2-176.3-175.6163.40.8106.8S47 Q235R6-S47 WeakPolarHBondContact O-CB 3.46Å; R6-Q235 HydrophobicContact CB-CB 4.15Å
7E94.4Very high83.8Confident3 Ų337.8 Ų37.81%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-76.6144.1-172.2-61.379.2-17000111.8S5 S47 C231 Y233 Q235S5-E7 VanDerWaalsContact CB-OE1 3.31Å; S5-E7 WeakPolarHBondContact CB-OE1 3.24Å; S5-E7 PolarHBondContact OG-OE1 3.13Å; E7-S47 CarbonylContact C-O 3.59Å; E7-S47 VanDerWaalsContact CA-O 3.32Å; E7-S47 WeakPolarHBondContact CA-O 3.46Å; E7-C231 HydrophobicContact CB-CB 3.91Å; E7-C231 WeakPolarHBondContact CB-SG 3.3Å; E7-C231 HydrophobicContact CG-CB 4.15Å; E7-Y233 PolarHBondContact N-O 3.48Å; E7-Y233 VanDerWaalsContact N-O 3.07Å; E7-Y233 WeakPolarHBondContact OE2-CA 3.33Å; E7-Y233 PolarHBondContact OE2-N 3.32Å; E7-Y233 VanDerWaalsContact OE2-O 3.06Å; E7-Q235 WeakPolarHBondContact O-CB 3.44Å; E7-Q235 PolarHBondContact O-N 3.32Å
8V96.1Very high84.6Confident0 Ų035.7 Ų35.70%020%0.204CC..EExtended strand (participates in β ladder)trans-124.3130.1176.2-178.50000108.4S47 V48 Q235 Q238 Y353 M362V8-S47 PolarHBondContact N-O 2.96Å; V8-V48 HydrophobicContact CB-CG1 4.43Å; V8-Q235 HydrophobicContact CG2-CB 4.38Å; V8-Q238 HydrophobicContact CG1-CB 3.94Å; V8-Y353 HydrophobicContact CG2-CD2 4.1Å; V8-Y353 HydrophobicContact CG2-CE2 4.13Å; V8-M362 HydrophobicContact CB-SD 4.37Å; V8-M362 HydrophobicContact CG1-CE 4.02Å; V8-M362 HydrophobicContact CG1-SD 3.83Å; V8-M362 HydrophobicContact CG2-SD 3.6Å; V8-M362 VanDerWaalsContact CG2-SD 3.6Å
9I97.4Very high85.2Confident0 Ų033.8 Ų33.80%019%0.193CC..EExtended strand (participates in β ladder)trans-97.4128.7173.9-61.2171.5000108L11 F227 V228 L234 G236 F237 Q238I9-L11 HydrophobicContact CG2-CD1 4.16Å; I9-F227 HydrophobicContact CD1-CB 3.79Å; I9-F227 HydrophobicContact CG1-CB 4.18Å; I9-V228 HydrophobicContact CD1-CB 4.26Å; I9-V228 HydrophobicContact CD1-CG2 3.37Å; I9-L234 HydrophobicContact CD1-CD1 3.77Å; I9-L234 HydrophobicContact CG1-CD1 3.97Å; I9-G236 PolarHBondContact N-O 2.71Å; I9-F237 HydrophobicContact CB-CD1 3.88Å; I9-F237 HydrophobicContact CB-CE1 4.04Å; I9-F237 HydrophobicContact CD1-CE1 4Å; I9-F237 HydrophobicContact CG2-CD1 4.25Å; I9-F237 HydrophobicContact CG2-CE1 4.37Å; I9-F237 WeakPolarHBondContact O-CA 3.4Å; I9-Q238 PolarHBondContact O-N 3.49Å
10T98.1Very high85.8Confident0 Ų032.2 Ų32.20%018%0.183CC..EExtended strand (participates in β ladder)trans-103.2128.3-179.8-55.20000110.4Q12 W25 R64 L65 I66 Q238 L240T10-Q12 HydrophobicContact CG2-CG 4.22Å; T10-W25 HydrophobicContact CG2-CZ2 4.24Å; T10-R64 PolarHBondContact N-O 3.21Å; T10-L65 HydrophobicContact CG2-CD1 4.2Å; T10-L65 CarbonylContact O-C 3.44Å; T10-L65 WeakPolarHBondContact O-CA 3.29Å; T10-I66 PolarHBondContact O-N 3.27Å; T10-Q238 CarbonylContact C-O 3.34Å; T10-Q238 VanDerWaalsContact CA-O 3.23Å; T10-Q238 WeakPolarHBondContact CA-O 3.42Å; T10-Q238 HydrophobicContact CG2-CB 4.43Å; T10-Q238 HydrophobicContact CG2-CG 4.36Å; T10-L240 HydrophobicContact CG2-CD1 3.69Å
11L98.4Very high86.4Confident0 Ų030.6 Ų30.60%017%0.174CC..EExtended strand (participates in β ladder)trans-108.9130.1171.4-69.685.1000109I9 I66 L220 L224 F237 Q238 V239 L240 V254 L258I9-L11 HydrophobicContact CG2-CD1 4.16Å; L11-I66 CarbonylContact C-O 2.91Å; L11-I66 VanDerWaalsContact CA-O 3.3Å; L11-I66 WeakPolarHBondContact CA-O 3.16Å; L11-I66 HydrophobicContact CG-CB 4.46Å; L11-L220 HydrophobicContact CD2-CD1 4.46Å; L11-L224 HydrophobicContact CD1-CD2 4.29Å; L11-L224 HydrophobicContact CD2-CD2 4.35Å; L11-F237 HydrophobicContact CD1-CB 4.44Å; L11-F237 HydrophobicContact CD1-CD1 3.86Å; L11-Q238 PolarHBondContact N-O 3.16Å; L11-V239 HydrophobicContact CB-CG2 4.47Å; L11-V239 CarbonylContact O-C 3.55Å; L11-V239 WeakPolarHBondContact O-CA 3.19Å; L11-L240 PolarHBondContact O-N 2.75Å; L11-V254 HydrophobicContact CD2-CG1 3.51Å; L11-L258 HydrophobicContact CD1-CD1 4.23Å; L11-L258 HydrophobicContact CD2-CD1 4.32Å
12Q98.1Very high89Confident1 Ų121.6 Ų21.61%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-118.8116.3175.7-64.8173.3-10.600108.4T10 N18 L65 I66 A67 M68 L240T10-Q12 HydrophobicContact CG2-CG 4.22Å; Q12-N18 WeakPolarHBondContact CB-OD1 3.48Å; Q12-L65 HydrophobicContact CB-CD1 4.26Å; Q12-L65 VanDerWaalsContact CD-CD1 3.43Å; Q12-L65 HydrophobicContact CG-CD1 3.67Å; Q12-I66 PolarHBondContact N-O 3.33Å; Q12-A67 HydrophobicContact CB-CB 4.26Å; Q12-A67 CarbonylContact O-C 3.59Å; Q12-A67 WeakPolarHBondContact O-CA 3.43Å; Q12-M68 PolarHBondContact O-N 3.46Å; Q12-L240 CarbonylContact C-O 3.49Å; Q12-L240 WeakPolarHBondContact CA-O 3.4Å; Q12-L240 HydrophobicContact CG-CB 4.35Å; Q12-L240 HydrophobicContact CG-CD1 4.14Å
13L97.6Very high91.7Very high0 Ų014.4 Ų14.40%09%0.086CC..EExtended strand (participates in β ladder)trans-121102.7-170.4-51.4177.2000108.2S17 M68 V239 L240 C241 D242 V254L13-S17 PolarHBondContact N-OG 2.74Å; L13-S17 PolarHBondContact O-OG 3.24Å; L13-M68 HydrophobicContact CD2-CB 3.99Å; L13-M68 HydrophobicContact CD2-CG 3.68Å; L13-M68 HydrophobicContact CD2-SD 3.74Å; L13-V239 HydrophobicContact CD1-CG1 4.01Å; L13-L240 PolarHBondContact N-O 3.45Å; L13-C241 HydrophobicContact CB-CB 4.32Å; L13-C241 WeakPolarHBondContact O-CA 3.44Å; L13-D242 PolarHBondContact O-N 2.94Å; L13-V254 HydrophobicContact CD1-CB 3.85Å; L13-V254 HydrophobicContact CD1-CG1 3.92Å; L13-V254 HydrophobicContact CD1-CG2 4.01Å; L13-V254 HydrophobicContact CD2-CG2 4.44Å
14G95.4Very high93.8Very high0 Ų011.9 Ų11.90%06%0.06CC..SBendtrans111.5168-18000000114.4S17 N18 M68 D242 F247G14-S17 PolarHBondContact N-OG 3.43Å; G14-S17 PolarHBondContact O-OG 2.69Å; G14-N18 WeakPolarHBondContact O-CB 3.41Å; G14-N18 PolarHBondContact O-N 3.46Å; G14-N18 VanDerWaalsContact O-N 3.1Å; G14-N18 PolarHBondContact O-ND2 3.37Å; G14-M68 PolarHBondContact N-O 3.43Å; G14-M68 VanDerWaalsContact N-O 3.16Å; G14-D242 VanDerWaalsContact C-OD2 3.29Å; G14-D242 WeakPolarHBondContact CA-OD2 3.13Å; G14-F247 VanDerWaalsContact CA-CD1 3.46Å; G14-F247 VanDerWaalsContact CA-CD2 3.48Å; G14-F247 VanDerWaalsContact CA-CG 3.42Å; G14-F247 VanDerWaalsContact N-CD1 3.32Å
15H95.1Very high95.4Very high8 Ų87 Ų74%0.0373%0.03CC..Hα-helixtrans-78.1-43.1-169.1-164.474.3000112.3N18 F19 D69 W174 H195 D242 W335H15-N18 PolarHBondContact O-N 3.26Å; H15-F19 AromaticContact CD2-CD2 3.87Å; H15-F19 AromaticContact CD2-CE2 3.73Å; H15-F19 AromaticContact NE2-CD2 3.87Å; H15-F19 AromaticContact NE2-CE2 3.33Å; H15-F19 VanDerWaalsContact NE2-CE2 3.33Å; H15-F19 WeakPolarHBondContact NE2-CE2 3.42Å; H15-F19 WeakPolarHBondContact O-CD2 3.44Å; H15-F19 PolarHBondContact O-N 2.85Å; H15-F19 VanDerWaalsContact O-N 3.07Å; H15-D69 IonicContact CE1-OD2 2.54Å; H15-D69 IonicContact CG-OD2 3.9Å; H15-D69 IonicContact ND1-OD1 3.72Å; H15-D69 IonicContact ND1-OD2 3.94Å; H15-D69 PolarHBondContact ND1-OD2 3.5Å; H15-W174 AromaticContact CE1-CD1 3.62Å; H15-W174 AromaticContact ND1-CD1 3.6Å; H15-H195 AromaticContact CD2-CE1 3.28Å; H15-H195 PolarHBondContact CD2-CE1 3.1Å; H15-H195 AromaticContact CD2-NE2 3.85Å; H15-H195 AromaticContact CE1-CE1 3.26Å; H15-H195 PolarHBondContact CE1-CE1 3.16Å; H15-H195 AromaticContact CE1-ND1 3.89Å; H15-H195 AromaticContact CE1-NE2 3.41Å; H15-H195 PolarHBondContact CE1-NE2 2.91Å; H15-H195 AromaticContact CG-CE1 3.23Å; H15-H195 AromaticContact CG-ND1 3.78Å; H15-H195 AromaticContact ND1-CE1 3.27Å; H15-H195 PolarHBondContact ND1-CE1 3.23Å; H15-H195 VanDerWaalsContact ND1-CE1 3.27Å; H15-H195 AromaticContact ND1-ND1 3.6Å; H15-H195 AromaticContact ND1-NE2 3.89Å; H15-H195 AromaticContact NE2-CE1 3.27Å; H15-H195 PolarHBondContact NE2-CE1 2.9Å; H15-H195 VanDerWaalsContact NE2-CE1 3.27Å; H15-H195 AromaticContact NE2-NE2 3.37Å; H15-H195 PolarHBondContact NE2-NE2 3.36Å; H15-D242 PolarHBondContact N-OD2 3.45Å; H15-W335 AromaticContact CD2-CZ3 3.69Å
16Y96Very high96.3Very high4 Ų46.7 Ų6.72%0.0163%0.027CC..Hα-helixtrans-72.5-34.4179.9-175.5-109.2000111.4F19 V20 D242 V272 A273 P274 W335 S338 L342Y16-F19 VanDerWaalsContact O-CB 3.25Å; Y16-F19 WeakPolarHBondContact O-CB 3.4Å; Y16-F19 PolarHBondContact O-N 2.81Å; Y16-F19 VanDerWaalsContact O-N 3.13Å; Y16-V20 HydrophobicContact CD1-CG2 4.44Å; Y16-V20 HydrophobicContact CE1-CG2 4.09Å; Y16-V20 WeakPolarHBondContact O-CG2 3.19Å; Y16-V20 PolarHBondContact O-N 3.14Å; Y16-D242 WeakPolarHBondContact CB-OD1 3.44Å; Y16-D242 PolarHBondContact N-OD1 3.48Å; Y16-D242 PolarHBondContact N-OD2 3Å; Y16-V272 HydrophobicContact CD1-CB 3.92Å; Y16-V272 HydrophobicContact CD1-CG2 3.87Å; Y16-V272 HydrophobicContact CE1-CB 4.1Å; Y16-A273 VanDerWaalsContact CE1-C 3.43Å; Y16-A273 WeakPolarHBondContact CE1-O 3.44Å; Y16-P274 HydrophobicContact CD1-CB 4.25Å; Y16-P274 HydrophobicContact CD2-CB 3.84Å; Y16-P274 HydrophobicContact CE1-CB 4.29Å; Y16-P274 HydrophobicContact CE2-CB 3.88Å; Y16-P274 HydrophobicContact CG-CB 4.03Å; Y16-P274 HydrophobicContact CG-CG 4.4Å; Y16-W335 HydrophobicContact CD2-CB 4.16Å; Y16-W335 HydrophobicContact CD2-CD2 4.17Å; Y16-W335 AromaticContact CD2-CG 3.97Å; Y16-W335 HydrophobicContact CD2-CG 3.97Å; Y16-W335 HydrophobicContact CE2-CB 4.09Å; Y16-W335 HydrophobicContact CE2-CG 4.09Å; Y16-S338 WeakPolarHBondContact OH-CB 3.48Å; Y16-S338 PolarHBondContact OH-OG 2.91Å; Y16-L342 HydrophobicContact CE1-CD1 4.05Å
17S96.9Very high96.5Very high0 Ų01.8 Ų1.80%01%0.009CC..Hα-helixtrans-63.8-38.9171.970.60000111.9L13 G14 F19 V20 G21 D242L13-S17 PolarHBondContact N-OG 2.74Å; L13-S17 PolarHBondContact O-OG 3.24Å; G14-S17 PolarHBondContact N-OG 3.43Å; G14-S17 PolarHBondContact O-OG 2.69Å; S17-F19 VanDerWaalsContact C-N 3.34Å; S17-F19 PolarHBondContact O-N 3.27Å; S17-V20 PolarHBondContact O-N 3.14Å; S17-G21 WeakPolarHBondContact O-CA 3.43Å; S17-G21 PolarHBondContact O-N 2.83Å; S17-D242 VanDerWaalsContact CB-OD1 3.31Å; S17-D242 WeakPolarHBondContact CB-OD1 3.27Å; S17-D242 PolarHBondContact N-OD1 2.96Å
18N97.1Very high96.4Very high0 Ų01.7 Ų1.70%01%0.008CC..Hα-helixtrans-65.9-32.9170.9-70.7-28.8000112.6Q12 G14 H15 T22 M68 D69 W174Q12-N18 WeakPolarHBondContact CB-OD1 3.48Å; G14-N18 WeakPolarHBondContact O-CB 3.41Å; G14-N18 PolarHBondContact O-N 3.46Å; G14-N18 VanDerWaalsContact O-N 3.1Å; G14-N18 PolarHBondContact O-ND2 3.37Å; H15-N18 PolarHBondContact O-N 3.26Å; N18-T22 VanDerWaalsContact O-CB 3.31Å; N18-T22 WeakPolarHBondContact O-CB 3.18Å; N18-T22 PolarHBondContact O-N 3.07Å; N18-T22 PolarHBondContact O-OG1 2.73Å; N18-M68 PolarHBondContact ND2-O 3.09Å; N18-D69 WeakPolarHBondContact ND2-CB 3.31Å; N18-D69 PolarHBondContact ND2-OD2 3.28Å; N18-D69 VanDerWaalsContact ND2-OD2 3.14Å; N18-W174 HydrophobicContact CB-CB 4.03Å; N18-W174 HydrophobicContact CB-CD2 3.74Å; N18-W174 HydrophobicContact CB-CG 3.48Å; N18-W174 VanDerWaalsContact CB-CG 3.48Å; N18-W174 PolarHBondContact ND2-NE1 3.45Å
19F96.8Very high96.1Very high0 Ų02.2 Ų2.20%01%0.011CC..Hα-helixtrans-62.7-52.3171.7-101.4-97.2000111.8H15 Y16 S17 G21 T22 H23 V171 V173 W174 F177 W335H15-F19 AromaticContact CD2-CD2 3.87Å; H15-F19 AromaticContact CD2-CE2 3.73Å; H15-F19 AromaticContact NE2-CD2 3.87Å; H15-F19 AromaticContact NE2-CE2 3.33Å; H15-F19 VanDerWaalsContact NE2-CE2 3.33Å; H15-F19 WeakPolarHBondContact NE2-CE2 3.42Å; H15-F19 WeakPolarHBondContact O-CD2 3.44Å; H15-F19 PolarHBondContact O-N 2.85Å; H15-F19 VanDerWaalsContact O-N 3.07Å; Y16-F19 VanDerWaalsContact O-CB 3.25Å; Y16-F19 WeakPolarHBondContact O-CB 3.4Å; Y16-F19 PolarHBondContact O-N 2.81Å; Y16-F19 VanDerWaalsContact O-N 3.13Å; S17-F19 VanDerWaalsContact C-N 3.34Å; S17-F19 PolarHBondContact O-N 3.27Å; F19-G21 VanDerWaalsContact C-N 3.28Å; F19-G21 PolarHBondContact O-N 2.67Å; F19-T22 PolarHBondContact O-N 2.64Å; F19-H23 PolarHBondContact O-CD2 3.38Å; F19-H23 PolarHBondContact O-N 2.54Å; F19-V171 HydrophobicContact CE1-CG1 3.57Å; F19-V171 HydrophobicContact CZ-CG1 3.77Å; F19-V173 VanDerWaalsContact CE2-C 3.45Å; F19-V173 VanDerWaalsContact CZ-C 3.47Å; F19-W174 HydrophobicContact CB-CB 4.5Å; F19-W174 HydrophobicContact CD2-CB 3.69Å; F19-W174 HydrophobicContact CE2-CB 4.1Å; F19-W174 HydrophobicContact CG-CB 4.09Å; F19-F177 AromaticContact CD1-CE1 3.62Å; F19-F177 HydrophobicContact CD1-CE1 3.62Å; F19-F177 AromaticContact CD1-CZ 3.72Å; F19-F177 HydrophobicContact CD1-CZ 3.72Å; F19-F177 AromaticContact CE1-CE1 3.56Å; F19-F177 HydrophobicContact CE1-CE1 3.56Å; F19-F177 HydrophobicContact CE1-CZ 4.16Å; F19-F177 HydrophobicContact CG-CE1 4.39Å; F19-F177 HydrophobicContact CG-CZ 4.33Å; F19-F177 HydrophobicContact CZ-CE1 4.28Å; F19-W335 HydrophobicContact CD1-CB 4.19Å; F19-W335 HydrophobicContact CE1-CB 4.2Å; F19-W335 HydrophobicContact CE2-CE3 4.29Å
20V97.7Very high95.6Very high0 Ų02.5 Ų2.50%01%0.014CC..Hα-helixtrans-59.4-45176177.60000110Y16 S17 T22 H23 W24 L240 V272 L342 A343 L346Y16-V20 HydrophobicContact CD1-CG2 4.44Å; Y16-V20 HydrophobicContact CE1-CG2 4.09Å; Y16-V20 WeakPolarHBondContact O-CG2 3.19Å; Y16-V20 PolarHBondContact O-N 3.14Å; S17-V20 PolarHBondContact O-N 3.14Å; V20-T22 PolarHBondContact O-N 2.79Å; V20-H23 PolarHBondContact O-N 2.74Å; V20-W24 WeakPolarHBondContact O-CB 3.42Å; V20-W24 PolarHBondContact O-N 3.24Å; V20-L240 HydrophobicContact CB-CD2 4.35Å; V20-L240 HydrophobicContact CG1-CD2 4.01Å; V20-V272 HydrophobicContact CG2-CG1 4.32Å; V20-L342 HydrophobicContact CG1-CB 4.13Å; V20-L342 HydrophobicContact CG2-CB 4.24Å; V20-L342 HydrophobicContact CG2-CD1 4.17Å; V20-A343 HydrophobicContact CG1-CB 4.37Å; V20-A343 WeakPolarHBondContact O-CB 3.34Å; V20-L346 HydrophobicContact CG1-CD2 4.44Å
21G97.3Very high95Very high0 Ų03.3 Ų3.30%02%0.019CC..Hα-helixtrans-57.5-46.5177.400000113.7S17 F19 W24 W25S17-G21 WeakPolarHBondContact O-CA 3.43Å; S17-G21 PolarHBondContact O-N 2.83Å; F19-G21 VanDerWaalsContact C-N 3.28Å; F19-G21 PolarHBondContact O-N 2.67Å; G21-W24 PolarHBondContact O-N 2.87Å; G21-W25 WeakPolarHBondContact O-CB 3.42Å; G21-W25 PolarHBondContact O-N 3.11Å
22T96.8Very high94.3Very high2 Ų24.1 Ų4.11%0.0122%0.023CC..Hα-helixtrans-63.4-43.8179.5-61.70000111.3N18 F19 V20 W24 W25 N26 F177 L178N18-T22 VanDerWaalsContact O-CB 3.31Å; N18-T22 WeakPolarHBondContact O-CB 3.18Å; N18-T22 PolarHBondContact O-N 3.07Å; N18-T22 PolarHBondContact O-OG1 2.73Å; F19-T22 PolarHBondContact O-N 2.64Å; V20-T22 PolarHBondContact O-N 2.79Å; T22-W24 VanDerWaalsContact C-N 3.34Å; T22-W24 PolarHBondContact O-N 2.81Å; T22-W25 PolarHBondContact O-N 3.01Å; T22-N26 WeakPolarHBondContact O-CB 3.18Å; T22-N26 PolarHBondContact O-N 3.07Å; T22-N26 PolarHBondContact O-ND2 2.8Å; T22-F177 HydrophobicContact CG2-CD2 3.56Å; T22-F177 HydrophobicContact CG2-CE2 3.3Å; T22-F177 HydrophobicContact CG2-CG 4.36Å; T22-F177 HydrophobicContact CG2-CZ 3.92Å; T22-L178 HydrophobicContact CG2-CB 3.82Å; T22-L178 HydrophobicContact CG2-CD1 3.82Å; T22-L178 HydrophobicContact CG2-CG 4.45Å
23H97.1Very high92.9Very high1 Ų16.6 Ų6.61%0.0054%0.04CC..Hα-helixtrans-61.1-45.1173.3-80.6-69000111.6F19 V20 W25 N26 L27 F177 Y336 S339 A343F19-H23 PolarHBondContact O-CD2 3.38Å; F19-H23 PolarHBondContact O-N 2.54Å; V20-H23 PolarHBondContact O-N 2.74Å; H23-W25 PolarHBondContact O-N 3.01Å; H23-N26 PolarHBondContact O-N 2.73Å; H23-L27 VanDerWaalsContact O-CG 3.31Å; H23-L27 WeakPolarHBondContact O-CG 3.45Å; H23-L27 PolarHBondContact O-N 3.35Å; H23-F177 AromaticContact CD2-CE2 3.43Å; H23-F177 VanDerWaalsContact CD2-CE2 3.43Å; H23-F177 WeakPolarHBondContact CD2-CE2 3.41Å; H23-F177 AromaticContact CD2-CZ 3.68Å; H23-F177 AromaticContact CE1-CD2 3.95Å; H23-F177 AromaticContact CE1-CE2 3.59Å; H23-F177 AromaticContact CG-CE2 3.75Å; H23-F177 AromaticContact ND1-CE2 3.85Å; H23-F177 AromaticContact NE2-CE2 3.33Å; H23-F177 VanDerWaalsContact NE2-CE2 3.33Å; H23-F177 WeakPolarHBondContact NE2-CE2 3.18Å; H23-F177 AromaticContact NE2-CZ 3.54Å; H23-Y336 AromaticContact CE1-CD2 3.62Å; H23-Y336 AromaticContact CE1-CE2 3.31Å; H23-Y336 WeakPolarHBondContact CE1-CE2 3.37Å; H23-Y336 AromaticContact NE2-CD2 3.33Å; H23-Y336 VanDerWaalsContact NE2-CD2 3.33Å; H23-Y336 WeakPolarHBondContact NE2-CD2 3.37Å; H23-Y336 AromaticContact NE2-CE2 3.52Å; H23-Y336 PolarHBondContact NE2-O 3.19Å; H23-Y336 VanDerWaalsContact NE2-O 3.17Å; H23-S339 PolarHBondContact CD2-OG 3.2Å; H23-A343 HydrophobicContact CB-CB 3.34Å
24W96.7Very high91.4Very high1 Ų110.8 Ų10.80%0.0046%0.057CC..Hα-helixtrans-62.3-44.5-179.6-177.484.3000111.8V20 G21 T22 L27 Q28 V48 A343 L346V20-W24 WeakPolarHBondContact O-CB 3.42Å; V20-W24 PolarHBondContact O-N 3.24Å; G21-W24 PolarHBondContact O-N 2.87Å; T22-W24 VanDerWaalsContact C-N 3.34Å; T22-W24 PolarHBondContact O-N 2.81Å; W24-L27 WeakPolarHBondContact O-CB 3.28Å; W24-L27 PolarHBondContact O-N 3.46Å; W24-Q28 HydrophobicContact CD2-CG 4.05Å; W24-Q28 HydrophobicContact CE3-CG 4.04Å; W24-Q28 HydrophobicContact CH2-CG 3.99Å; W24-Q28 HydrophobicContact CZ2-CG 3.96Å; W24-Q28 HydrophobicContact CZ3-CG 4.02Å; W24-Q28 WeakPolarHBondContact O-CG 3.35Å; W24-Q28 PolarHBondContact O-N 3.28Å; W24-V48 HydrophobicContact CH2-CB 4.33Å; W24-V48 HydrophobicContact CH2-CG1 4Å; W24-V48 HydrophobicContact CH2-CG2 4.45Å; W24-A343 HydrophobicContact CB-CB 4.13Å; W24-L346 HydrophobicContact CG-CD2 4.2Å
25W96Very high89.8Confident2 Ų215 Ų151%0.0088%0.079CC..Hα-helixtrans-64.6-40.5176.2-76.7125.4000112.6T10 G21 T22 H23 L27 Q28 D29 V48 F49 P63 L65 L180T10-W25 HydrophobicContact CG2-CZ2 4.24Å; G21-W25 WeakPolarHBondContact O-CB 3.42Å; G21-W25 PolarHBondContact O-N 3.11Å; T22-W25 PolarHBondContact O-N 3.01Å; H23-W25 PolarHBondContact O-N 3.01Å; W25-L27 VanDerWaalsContact C-N 3.27Å; W25-L27 PolarHBondContact O-N 3.22Å; W25-Q28 HydrophobicContact CE3-CB 4.43Å; W25-Q28 HydrophobicContact CE3-CG 4.41Å; W25-Q28 PolarHBondContact O-N 2.94Å; W25-Q28 VanDerWaalsContact O-N 3.12Å; W25-D29 PolarHBondContact O-N 3.37Å; W25-V48 HydrophobicContact CH2-CB 3.97Å; W25-V48 HydrophobicContact CZ3-CB 3.93Å; W25-V48 HydrophobicContact CZ3-CG2 3.97Å; W25-F49 HydrophobicContact CE3-CE1 4.38Å; W25-F49 HydrophobicContact CE3-CZ 4.12Å; W25-F49 HydrophobicContact CZ3-CE1 4.42Å; W25-F49 HydrophobicContact CZ3-CZ 4.29Å; W25-P63 HydrophobicContact CD2-CB 3.9Å; W25-P63 HydrophobicContact CE3-CB 3.66Å; W25-P63 HydrophobicContact CH2-CB 3.42Å; W25-P63 VanDerWaalsContact CH2-CB 3.42Å; W25-P63 HydrophobicContact CZ2-CB 3.66Å; W25-P63 HydrophobicContact CZ3-CB 3.42Å; W25-P63 VanDerWaalsContact CZ3-CB 3.42Å; W25-L65 HydrophobicContact CZ2-CB 3.87Å; W25-L65 HydrophobicContact CZ2-CD1 4.26Å; W25-L65 HydrophobicContact CZ2-CG 4.49Å; W25-L180 HydrophobicContact CB-CD1 3.55Å; W25-L180 HydrophobicContact CG-CD1 4.41Å; W25-L180 WeakPolarHBondContact O-CD1 3.45Å
26N94.4Very high88Confident11 Ų1121.2 Ų21.26%0.05912%0.12CC..Hα-helixtrans-61.4-35.1173.2-72.3-12.1000112T22 H23 A30 F177 R179T22-N26 WeakPolarHBondContact O-CB 3.18Å; T22-N26 PolarHBondContact O-N 3.07Å; T22-N26 PolarHBondContact O-ND2 2.8Å; H23-N26 PolarHBondContact O-N 2.73Å; N26-A30 WeakPolarHBondContact O-CB 3.29Å; N26-A30 PolarHBondContact O-N 3.26Å; N26-F177 PolarHBondContact ND2-O 3.12Å; N26-R179 WeakPolarHBondContact OD1-CB 3.45Å; N26-R179 PolarHBondContact OD1-N 3.17Å; N26-R179 VanDerWaalsContact OD1-N 3.11Å
27L93.6Very high86.1Confident5 Ų524.8 Ų24.83%0.02616%0.158CC..Hα-helixtrans-67.6-40.7172.6-66.2169.3000111.5H23 W24 W25 A30 S31 A343 L344 D347 K482 L483 F487H23-L27 VanDerWaalsContact O-CG 3.31Å; H23-L27 WeakPolarHBondContact O-CG 3.45Å; H23-L27 PolarHBondContact O-N 3.35Å; W24-L27 WeakPolarHBondContact O-CB 3.28Å; W24-L27 PolarHBondContact O-N 3.46Å; W25-L27 VanDerWaalsContact C-N 3.27Å; W25-L27 PolarHBondContact O-N 3.22Å; L27-A30 PolarHBondContact O-N 3.27Å; L27-S31 PolarHBondContact O-N 3.38Å; L27-A343 HydrophobicContact CD1-CB 4.39Å; L27-L344 HydrophobicContact CD1-CD2 3.74Å; L27-L344 HydrophobicContact CD1-CG 4.3Å; L27-L344 HydrophobicContact CD2-CD2 3.91Å; L27-D347 HydrophobicContact CD1-CB 4.17Å; L27-K482 WeakPolarHBondContact CD2-O 3.39Å; L27-L483 HydrophobicContact CD2-CD2 3.64Å; L27-F487 HydrophobicContact CD2-CD2 4.04Å; L27-F487 HydrophobicContact CD2-CE2 4.13Å
28Q92.6Very high84.7Confident1 Ų127.4 Ų27.41%0.00518%0.177CC..Hα-helixtrans-65.4-41.6176.1-57.7-42.1-60.400111.4W24 W25 A30 S31 L32 F49 D347W24-Q28 HydrophobicContact CD2-CG 4.05Å; W24-Q28 HydrophobicContact CE3-CG 4.04Å; W24-Q28 HydrophobicContact CH2-CG 3.99Å; W24-Q28 HydrophobicContact CZ2-CG 3.96Å; W24-Q28 HydrophobicContact CZ3-CG 4.02Å; W24-Q28 WeakPolarHBondContact O-CG 3.35Å; W24-Q28 PolarHBondContact O-N 3.28Å; W25-Q28 HydrophobicContact CE3-CB 4.43Å; W25-Q28 HydrophobicContact CE3-CG 4.41Å; W25-Q28 PolarHBondContact O-N 2.94Å; W25-Q28 VanDerWaalsContact O-N 3.12Å; Q28-A30 PolarHBondContact O-N 3.28Å; Q28-S31 WeakPolarHBondContact O-CB 3.35Å; Q28-S31 PolarHBondContact O-N 2.95Å; Q28-S31 VanDerWaalsContact O-N 3.07Å; Q28-S31 PolarHBondContact O-OG 3.29Å; Q28-L32 PolarHBondContact O-N 3.19Å; Q28-F49 HydrophobicContact CB-CE2 3.67Å; Q28-F49 HydrophobicContact CB-CZ 3.95Å; Q28-D347 PolarHBondContact NE2-OD1 3.4Å
29D89.3Confident83.5Confident10 Ų1031.5 Ų31.55%0.05321%0.211CC..Hα-helixtrans-60.8-42.8175.2-174.158.5000112.1W25 S31 L32 N155 R179 L180W25-D29 PolarHBondContact O-N 3.37Å; D29-S31 PolarHBondContact O-N 3.41Å; D29-L32 WeakPolarHBondContact O-CB 3.21Å; D29-L32 PolarHBondContact O-N 3.27Å; D29-L32 VanDerWaalsContact O-N 3.11Å; D29-N155 PolarHBondContact O-ND2 3Å; D29-R179 IonicContact OD2-CZ 3.03Å; D29-R179 IonicContact OD2-NE 2.87Å; D29-R179 PolarHBondContact OD2-NE 3.36Å; D29-R179 IonicContact OD2-NH2 2.97Å; D29-R179 PolarHBondContact OD2-NH2 2.73Å; D29-L180 HydrophobicContact CB-CD1 4.07Å; D29-L180 HydrophobicContact CB-CD2 3.77Å; D29-L180 HydrophobicContact CB-CG 3.9Å; D29-L180 VanDerWaalsContact OD1-CD2 3.29Å; D29-L180 WeakPolarHBondContact OD1-CD2 3.3Å
30A87.6Confident82.5Confident7 Ų736.4 Ų36.46%0.05824%0.242CC..Hα-helixtrans-61.8-25.6175.100000113.1N26 L27 Q28 K482 T484N26-A30 WeakPolarHBondContact O-CB 3.29Å; N26-A30 PolarHBondContact O-N 3.26Å; L27-A30 PolarHBondContact O-N 3.27Å; Q28-A30 PolarHBondContact O-N 3.28Å; A30-K482 HydrophobicContact CB-CB 4.08Å; A30-K482 WeakPolarHBondContact O-CD 3.44Å; A30-T484 HydrophobicContact CB-CG2 3.71Å; A30-T484 WeakPolarHBondContact CB-OG1 3.34Å
31S85.2Confident81.8Confident16 Ų1638.5 Ų38.511%0.11226%0.256CS..Hα-helixtrans-83.4-14.8178.281.30000113.9L27 Q28 D29 C33L27-S31 PolarHBondContact O-N 3.38Å; Q28-S31 WeakPolarHBondContact O-CB 3.35Å; Q28-S31 PolarHBondContact O-N 2.95Å; Q28-S31 VanDerWaalsContact O-N 3.07Å; Q28-S31 PolarHBondContact O-OG 3.29Å; D29-S31 PolarHBondContact O-N 3.41Å; S31-C33 PolarHBondContact O-N 2.9Å
32L82.4Confident81.3Confident17 Ų1742 Ų429%0.08927%0.272CS..  trans-61.4128.8179.8-69.2171.6000110.7Q28 D29 Y34 F49Q28-L32 PolarHBondContact O-N 3.19Å; D29-L32 WeakPolarHBondContact O-CB 3.21Å; D29-L32 PolarHBondContact O-N 3.27Å; D29-L32 VanDerWaalsContact O-N 3.11Å; L32-Y34 HydrophobicContact CB-CD2 4.33Å; L32-Y34 HydrophobicContact CB-CE2 3.57Å; L32-Y34 WeakPolarHBondContact CD1-OH 3.32Å; L32-F49 HydrophobicContact CD1-CE1 4.4Å; L32-F49 HydrophobicContact CD1-CE2 4.12Å; L32-F49 HydrophobicContact CD1-CZ 4.08Å; L32-F49 HydrophobicContact CD2-CD2 4.02Å; L32-F49 HydrophobicContact CD2-CE2 4.1Å; L32-F49 HydrophobicContact CG-CE2 4.24Å
33C69Low80.9Confident53 Ų5342.2 Ų42.236%0.35827%0.273SS..  trans-110.2115177.1-170.10000109.1S31 S38S31-C33 PolarHBondContact O-N 2.9Å; C33-S38 PolarHBondContact SG-OG 3.31Å
34Y66.4Low80.5Confident89 Ų8943 Ų4335%0.34928%0.277SS..  trans-100.5-3-177.3-62.2-82.9000112.9L32 P36 Y61 S153L32-Y34 HydrophobicContact CB-CD2 4.33Å; L32-Y34 HydrophobicContact CB-CE2 3.57Å; L32-Y34 WeakPolarHBondContact CD1-OH 3.32Å; Y34-P36 VanDerWaalsContact O-CD 3.32Å; Y34-P36 WeakPolarHBondContact O-CD 3.28Å; Y34-Y61 HydrophobicContact CD1-CE2 4.35Å; Y34-Y61 AromaticContact CE1-CD2 3.69Å; Y34-Y61 HydrophobicContact CE1-CD2 3.69Å; Y34-Y61 AromaticContact CE1-CE2 3.82Å; Y34-Y61 HydrophobicContact CE1-CE2 3.82Å; Y34-S153 WeakPolarHBondContact CD2-OG 3.33Å
35D62.6Low80Confident87 Ų8743.3 Ų43.347%0.46528%0.279SS..  trans-83.7114.1-176.4-69-27.3000109.9G37 S38D35-G37 PolarHBondContact O-N 3.46Å; D35-S38 PolarHBondContact O-N 3.49Å; D35-S38 PolarHBondContact O-OG 3.26Å
36P56.9Low79.7Confident139 Ų13945 Ų4590%0.90329%0.289SS*.THydrogen-bonded Turntrans-69.2-8.5-175.927.9-34.8000113.6Y34Y34-P36 VanDerWaalsContact O-CD 3.32Å; Y34-P36 WeakPolarHBondContact O-CD 3.28Å
37G56.5Low79.5Confident79 Ų7944.6 Ų44.681%0.81429%0.287SS*.THydrogen-bonded Turntrans-100.1-7.1-17900000115.5D35D35-G37 PolarHBondContact O-N 3.46Å
38S67.3Low79.4Confident56 Ų5644.4 Ų44.439%0.39229%0.286SS..SBendtrans-85.2152.8178.254.90000112.1C33 D35C33-S38 PolarHBondContact SG-OG 3.31Å; D35-S38 PolarHBondContact O-N 3.49Å; D35-S38 PolarHBondContact O-OG 3.26Å
39A70.8Confident79.5Confident86 Ų8644.5 Ų44.571%0.71129%0.286SS*.PPolyproline II helixtrans-56.4142.8170.400000110.4
40P76.1Confident79.5Confident103 Ų10345.1 Ų45.167%0.66929%0.288SS*.PPolyproline II helixtrans-61134.8179.825.5-33.3000109.7
41P83.3Confident79.5Confident43 Ų4349.9 Ų49.928%0.27931%0.309SS..PPolyproline II helixtrans-63.7148.4179.726.3-33.9000110.9V43 R356P41-V43 PolarHBondContact O-N 2.59Å; P41-R356 WeakPolarHBondContact O-CD 3.45Å; P41-R356 PolarHBondContact O-NE 3.24Å
42E87.3Confident79.5Confident73 Ų7349.5 Ų49.534%0.34131%0.307SS..SBendtrans-58.5-35.8178.7-66-175.717900112.4L355 R356 V477 S478E42-L355 HydrophobicContact CB-CD2 4.37Å; E42-L355 WeakPolarHBondContact O-CD2 3.48Å; E42-R356 PolarHBondContact O-N 3.18Å; E42-V477 HydrophobicContact CB-CG1 4.41Å; E42-V477 WeakPolarHBondContact OE2-CA 3.38Å; E42-V477 VanDerWaalsContact OE2-CG1 3.24Å; E42-V477 WeakPolarHBondContact OE2-CG1 3.45Å; E42-S478 PolarHBondContact OE1-OG 3.26Å; E42-S478 PolarHBondContact OE2-N 3.35Å
43V87.8Confident79.5Confident7 Ų755 Ų554%0.04233%0.332CS..BIsolated β-bridgetrans-89131.3176.6-178.50000109.9P41 S45 V351 R354 L355 V477P41-V43 PolarHBondContact O-N 2.59Å; V43-S45 PolarHBondContact O-N 2.84Å; V43-V351 HydrophobicContact CG2-CG1 4.22Å; V43-R354 HydrophobicContact CG1-CB 4.22Å; V43-R354 VanDerWaalsContact CG1-NH1 3.32Å; V43-L355 HydrophobicContact CG2-CD2 4.21Å; V43-V477 HydrophobicContact CG2-CG1 4.41Å
44Q88.6Confident79.9Confident18 Ų1853.5 Ų53.58%0.08432%0.322CS..  trans-87.898.5177.7-170.8162.6-8.600110.9S5 D46 S47 R354 R356S5-Q44 VanDerWaalsContact CA-NE2 3.27Å; S5-Q44 VanDerWaalsContact CB-NE2 3.32Å; Q44-D46 VanDerWaalsContact C-N 3.25Å; Q44-D46 HydrophobicContact CG-CB 4.24Å; Q44-D46 PolarHBondContact O-N 2.9Å; Q44-S47 WeakPolarHBondContact O-CB 3.49Å; Q44-S47 PolarHBondContact O-N 2.92Å; Q44-S47 PolarHBondContact O-OG 3.26Å; Q44-R354 WeakPolarHBondContact CB-O 3.48Å; Q44-R354 PolarHBondContact N-O 2.86Å; Q44-R356 HydrophobicContact CB-CG 3.66Å; Q44-R356 HydrophobicContact CG-CG 4.25Å
45S86.9Confident80.3Confident7 Ų754.1 Ų54.15%0.04934%0.337CS..G310 helixtrans-62.9-31.1177.9-49.60000113.2V43 S47 V48 F49V43-S45 PolarHBondContact O-N 2.84Å; S45-S47 PolarHBondContact O-N 3.1Å; S45-V48 WeakPolarHBondContact O-CG2 3.28Å; S45-V48 PolarHBondContact O-N 3.18Å; S45-V48 VanDerWaalsContact O-N 3.07Å; S45-F49 WeakPolarHBondContact O-CD2 3.21Å; S45-F49 PolarHBondContact O-N 3.3Å
46D88.1Confident80.6Confident39 Ų3953.6 Ų53.621%0.20935%0.352CS..G310 helixtrans-63.1-14.3178.6-46.1-37.9000113.5Q44 V48 F49 R356Q44-D46 VanDerWaalsContact C-N 3.25Å; Q44-D46 HydrophobicContact CG-CB 4.24Å; Q44-D46 PolarHBondContact O-N 2.9Å; D46-V48 PolarHBondContact O-N 2.72Å; D46-F49 VanDerWaalsContact O-O 3.06Å; D46-R356 IonicContact OD2-NH2 3.7Å
47S90.4Very high81.5Confident2 Ų249.4 Ų49.41%0.01433%0.334CS..G310 helixtrans-65.4-29.1173.661.30000112.6R6 E7 V8 Q44 S45R6-S47 WeakPolarHBondContact O-CB 3.46Å; E7-S47 CarbonylContact C-O 3.59Å; E7-S47 VanDerWaalsContact CA-O 3.32Å; E7-S47 WeakPolarHBondContact CA-O 3.46Å; V8-S47 PolarHBondContact N-O 2.96Å; Q44-S47 WeakPolarHBondContact O-CB 3.49Å; Q44-S47 PolarHBondContact O-N 2.92Å; Q44-S47 PolarHBondContact O-OG 3.26Å; S45-S47 PolarHBondContact O-N 3.1Å
48V93.4Very high82.4Confident0 Ų048.8 Ų48.80%032%0.317CS..THydrogen-bonded Turntrans-122.4-18.8-174.4-63.30000112.7V8 W24 W25 S45 D46 R64V8-V48 HydrophobicContact CB-CG1 4.43Å; W24-V48 HydrophobicContact CH2-CB 4.33Å; W24-V48 HydrophobicContact CH2-CG1 4Å; W24-V48 HydrophobicContact CH2-CG2 4.45Å; W25-V48 HydrophobicContact CH2-CB 3.97Å; W25-V48 HydrophobicContact CZ3-CB 3.93Å; W25-V48 HydrophobicContact CZ3-CG2 3.97Å; S45-V48 WeakPolarHBondContact O-CG2 3.28Å; S45-V48 PolarHBondContact O-N 3.18Å; S45-V48 VanDerWaalsContact O-N 3.07Å; D46-V48 PolarHBondContact O-N 2.72Å; V48-R64 WeakPolarHBondContact O-CB 3.49Å; V48-R64 PolarHBondContact O-N 2.84Å
49F92.9Very high83Confident3 Ų349.6 Ų49.61%0.01332%0.32CS..EExtended strand (participates in β ladder)trans-98.1158.6171.8-71.9-80.5000111.6W25 Q28 L32 S45 D46 T62 P63 R64 L180W25-F49 HydrophobicContact CE3-CE1 4.38Å; W25-F49 HydrophobicContact CE3-CZ 4.12Å; W25-F49 HydrophobicContact CZ3-CE1 4.42Å; W25-F49 HydrophobicContact CZ3-CZ 4.29Å; Q28-F49 HydrophobicContact CB-CE2 3.67Å; Q28-F49 HydrophobicContact CB-CZ 3.95Å; L32-F49 HydrophobicContact CD1-CE1 4.4Å; L32-F49 HydrophobicContact CD1-CE2 4.12Å; L32-F49 HydrophobicContact CD1-CZ 4.08Å; L32-F49 HydrophobicContact CD2-CD2 4.02Å; L32-F49 HydrophobicContact CD2-CE2 4.1Å; L32-F49 HydrophobicContact CG-CE2 4.24Å; S45-F49 WeakPolarHBondContact O-CD2 3.21Å; S45-F49 PolarHBondContact O-N 3.3Å; D46-F49 VanDerWaalsContact O-O 3.06Å; F49-T62 CarbonylContact C-O 3.48Å; F49-T62 WeakPolarHBondContact CA-O 3.45Å; F49-P63 HydrophobicContact CD1-CB 4.41Å; F49-P63 HydrophobicContact CE1-CB 4.29Å; F49-R64 PolarHBondContact O-NE 3.35Å; F49-L180 HydrophobicContact CE1-CD1 4.36Å; F49-L180 HydrophobicContact CE1-CD2 3.85Å; F49-L180 HydrophobicContact CZ-CD1 4.44Å; F49-L180 HydrophobicContact CZ-CD2 4.29Å
50R90.3Very high83.6Confident24 Ų2446.3 Ų46.39%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-121.9144.3168.156.6170.9-60.6-148.713.6109.6Y61 T62 R64 H183 E230R50-Y61 WeakPolarHBondContact O-CA 3.26Å; R50-T62 WeakPolarHBondContact CD-OG1 3.33Å; R50-T62 WeakPolarHBondContact CG-O 3.49Å; R50-T62 VanDerWaalsContact CG-OG1 3.28Å; R50-T62 WeakPolarHBondContact CG-OG1 3.29Å; R50-T62 PolarHBondContact N-O 2.91Å; R50-T62 PolarHBondContact O-N 3.39Å; R50-R64 HydrophobicContact CB-CG 4.25Å; R50-R64 HydrophobicContact CG-CG 4.45Å; R50-H183 PolarHBondContact NH1-CD2 2.83Å; R50-H183 PolarHBondContact NH1-NE2 3.4Å; R50-E230 WeakPolarHBondContact CD-OE2 3.39Å; R50-E230 IonicContact CZ-OE1 2.64Å; R50-E230 IonicContact CZ-OE2 3.48Å; R50-E230 IonicContact NE-OE1 3.13Å; R50-E230 PolarHBondContact NE-OE1 3.31Å; R50-E230 IonicContact NE-OE2 3.29Å; R50-E230 PolarHBondContact NE-OE2 3.22Å; R50-E230 IonicContact NH1-OE2 3.07Å; R50-E230 VanDerWaalsContact NH2-CD 3.32Å; R50-E230 IonicContact NH2-OE1 3.87Å; R50-E230 PolarHBondContact NH2-OE1 2.94Å; R50-E230 IonicContact NH2-OE2 3.96Å; R50-E230 PolarHBondContact NH2-OE2 2.89Å
51E88.1Confident84.1Confident106 Ų10644.2 Ų44.250%0.49527%0.27SS..EExtended strand (participates in β ladder)trans-89.1124.3172-168.9176.5139.400108.8V59 Y61E51-V59 HydrophobicContact CG-CG1 3.42Å; E51-V59 VanDerWaalsContact CG-CG1 3.42Å; E51-Y61 HydrophobicContact CB-CD1 4.4Å; E51-Y61 HydrophobicContact CB-CE1 3.98Å; E51-Y61 HydrophobicContact CG-CE1 3.99Å; E51-Y61 PolarHBondContact OE2-OH 3.28Å; E51-Y61 VanDerWaalsContact OE2-OH 3.14Å
52G84.6Confident84.5Confident8 Ų842.2 Ų42.28%0.08226%0.257CS..EExtended strand (participates in β ladder)trans-124.4173.2174.300000110.9V59 T60G52-V59 CarbonylContact O-C 3.46Å; G52-V59 WeakPolarHBondContact O-CA 3.36Å; G52-T60 PolarHBondContact N-O 3.38Å; G52-T60 PolarHBondContact O-N 2.88Å; G52-T60 PolarHBondContact O-OG1 2.87Å
53Q81.6Confident84.8Confident132 Ų13238.7 Ų38.762%0.61724%0.241SC*.EExtended strand (participates in β ladder)trans-126.2130.8173.8-66.6179.6500109.5S58 Y84Q53-S58 CarbonylContact C-O 3.55Å; Q53-S58 WeakPolarHBondContact CA-O 3.15Å; Q53-Y84 WeakPolarHBondContact O-CE1 3.36Å
54T78.1Confident85.2Confident22 Ų2239.2 Ų39.214%0.13524%0.242CC..  trans-67.8163.7171.865.60000110.5G56 G57 S58 T60T54-G56 PolarHBondContact O-N 3.42Å; T54-G56 VanDerWaalsContact O-N 3.07Å; T54-G56 PolarHBondContact OG1-N 3.2Å; T54-G57 PolarHBondContact O-N 3.36Å; T54-S58 VanDerWaalsContact CG2-OG 3.28Å; T54-S58 WeakPolarHBondContact CG2-OG 3.44Å; T54-S58 PolarHBondContact N-O 3.21Å; T54-S58 PolarHBondContact OG1-N 3.38Å; T54-S58 VanDerWaalsContact OG1-N 3.17Å; T54-S58 PolarHBondContact OG1-O 3.26Å; T54-S58 PolarHBondContact OG1-OG 3.36Å; T54-T60 HydrophobicContact CG2-CG2 3.38Å
55P74.1Confident85.6Confident102 Ų10238.5 Ų38.566%0.66224%0.238SC*.THydrogen-bonded Turntrans-56.4-23.7170.8-2535.4000113.6G57P55-G57 VanDerWaalsContact C-N 3.27Å; P55-G57 PolarHBondContact O-N 2.93Å
56G70.4Confident86.1Confident76 Ų7638.1 Ų38.178%0.78424%0.236SC*.THydrogen-bonded Turntrans-81.72.4174.400000114.7T54 S58T54-G56 PolarHBondContact O-N 3.42Å; T54-G56 VanDerWaalsContact O-N 3.07Å; T54-G56 PolarHBondContact OG1-N 3.2Å; G56-S58 VanDerWaalsContact C-N 3.3Å; G56-S58 PolarHBondContact O-N 3Å
57G74.6Confident86.5Confident52 Ų5236.3 Ų36.354%0.53623%0.226SC..SBendtrans787.3-179.800000114.9T54 P55T54-G57 PolarHBondContact O-N 3.36Å; P55-G57 VanDerWaalsContact C-N 3.27Å; P55-G57 PolarHBondContact O-N 2.93Å
58S75.3Confident86.8Confident65 Ų6536.2 Ų36.246%0.45523%0.226SC..  trans-79.2136.7174.864.10000111Q53 T54 G56Q53-S58 CarbonylContact C-O 3.55Å; Q53-S58 WeakPolarHBondContact CA-O 3.15Å; T54-S58 VanDerWaalsContact CG2-OG 3.28Å; T54-S58 WeakPolarHBondContact CG2-OG 3.44Å; T54-S58 PolarHBondContact N-O 3.21Å; T54-S58 PolarHBondContact OG1-N 3.38Å; T54-S58 VanDerWaalsContact OG1-N 3.17Å; T54-S58 PolarHBondContact OG1-O 3.26Å; T54-S58 PolarHBondContact OG1-OG 3.36Å; G56-S58 VanDerWaalsContact C-N 3.3Å; G56-S58 PolarHBondContact O-N 3Å
59V80.6Confident86.9Confident74 Ų7436.3 Ų36.345%0.44823%0.226SC..EExtended strand (participates in β ladder)trans-72.2132.2175.7-179.20000109.5E51 G52 Y61E51-V59 HydrophobicContact CG-CG1 3.42Å; E51-V59 VanDerWaalsContact CG-CG1 3.42Å; G52-V59 CarbonylContact O-C 3.46Å; G52-V59 WeakPolarHBondContact O-CA 3.36Å; V59-Y61 HydrophobicContact CG1-CE2 3.97Å
60T82.6Confident86.9Confident17 Ų1736.7 Ų36.710%0.10423%0.228CC..EExtended strand (participates in β ladder)trans-124.3139.4178.451.10000110.2G52 T54 L83G52-T60 PolarHBondContact N-O 3.38Å; G52-T60 PolarHBondContact O-N 2.88Å; G52-T60 PolarHBondContact O-OG1 2.87Å; T54-T60 HydrophobicContact CG2-CG2 3.38Å; T60-L83 HydrophobicContact CG2-CD1 4.42Å; T60-L83 HydrophobicContact CG2-CD2 4.04Å
61Y87Confident86.8Confident59 Ų5940.7 Ų40.723%0.23125%0.246CC..EExtended strand (participates in β ladder)trans-104.3115.3170.3-67.4-85.2000108.6Y34 R50 E51 V59Y34-Y61 HydrophobicContact CD1-CE2 4.35Å; Y34-Y61 AromaticContact CE1-CD2 3.69Å; Y34-Y61 HydrophobicContact CE1-CD2 3.69Å; Y34-Y61 AromaticContact CE1-CE2 3.82Å; Y34-Y61 HydrophobicContact CE1-CE2 3.82Å; R50-Y61 WeakPolarHBondContact O-CA 3.26Å; E51-Y61 HydrophobicContact CB-CD1 4.4Å; E51-Y61 HydrophobicContact CB-CE1 3.98Å; E51-Y61 HydrophobicContact CG-CE1 3.99Å; E51-Y61 PolarHBondContact OE2-OH 3.28Å; E51-Y61 VanDerWaalsContact OE2-OH 3.14Å; V59-Y61 HydrophobicContact CG1-CE2 3.97Å
62T91.7Very high86.7Confident0 Ų038 Ų380%025%0.246CC..EExtended strand (participates in β ladder)trans-116.9147.617757.90000110.1F49 R50 L83F49-T62 CarbonylContact C-O 3.48Å; F49-T62 WeakPolarHBondContact CA-O 3.45Å; R50-T62 WeakPolarHBondContact CD-OG1 3.33Å; R50-T62 WeakPolarHBondContact CG-O 3.49Å; R50-T62 VanDerWaalsContact CG-OG1 3.28Å; R50-T62 WeakPolarHBondContact CG-OG1 3.29Å; R50-T62 PolarHBondContact N-O 2.91Å; R50-T62 PolarHBondContact O-N 3.39Å; T62-L83 HydrophobicContact CG2-CD1 3.38Å
63P94.4Very high86.8Confident0 Ų037.6 Ų37.60%024%0.243CC..EExtended strand (participates in β ladder)trans-71.9146.3179.728.5-34.6000111.6W25 F49 L65 L182W25-P63 HydrophobicContact CD2-CB 3.9Å; W25-P63 HydrophobicContact CE3-CB 3.66Å; W25-P63 HydrophobicContact CH2-CB 3.42Å; W25-P63 VanDerWaalsContact CH2-CB 3.42Å; W25-P63 HydrophobicContact CZ2-CB 3.66Å; W25-P63 HydrophobicContact CZ3-CB 3.42Å; W25-P63 VanDerWaalsContact CZ3-CB 3.42Å; F49-P63 HydrophobicContact CD1-CB 4.41Å; F49-P63 HydrophobicContact CE1-CB 4.29Å; P63-L65 HydrophobicContact CB-CB 3.99Å; P63-L65 HydrophobicContact CG-CB 4.09Å; P63-L65 HydrophobicContact CG-CD2 4.46Å; P63-L65 PolarHBondContact O-N 3.06Å; P63-L182 HydrophobicContact CG-CD2 3.6Å
64R95.6Very high86.9Confident17 Ų1732.1 Ų32.16%0.06422%0.218CC..  trans-76.867.3167.9-62.6179.1-172.4-92.51.3109.6T10 V48 F49 R50 C231T10-R64 PolarHBondContact N-O 3.21Å; V48-R64 WeakPolarHBondContact O-CB 3.49Å; V48-R64 PolarHBondContact O-N 2.84Å; F49-R64 PolarHBondContact O-NE 3.35Å; R50-R64 HydrophobicContact CB-CG 4.25Å; R50-R64 HydrophobicContact CG-CG 4.45Å; R64-C231 PolarHBondContact NH1-SG 2.77Å
65L96.8Very high87.2Confident3 Ų336 Ų362%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-120.6137.9-169.4173.465.4000111.3T10 Q12 W25 P63 A67 L182 S186 F227T10-L65 HydrophobicContact CG2-CD1 4.2Å; T10-L65 CarbonylContact O-C 3.44Å; T10-L65 WeakPolarHBondContact O-CA 3.29Å; Q12-L65 HydrophobicContact CB-CD1 4.26Å; Q12-L65 VanDerWaalsContact CD-CD1 3.43Å; Q12-L65 HydrophobicContact CG-CD1 3.67Å; W25-L65 HydrophobicContact CZ2-CB 3.87Å; W25-L65 HydrophobicContact CZ2-CD1 4.26Å; W25-L65 HydrophobicContact CZ2-CG 4.49Å; P63-L65 HydrophobicContact CB-CB 3.99Å; P63-L65 HydrophobicContact CG-CB 4.09Å; P63-L65 HydrophobicContact CG-CD2 4.46Å; P63-L65 PolarHBondContact O-N 3.06Å; L65-A67 HydrophobicContact CD1-CB 4.33Å; L65-A67 HydrophobicContact CD2-CB 4.19Å; L65-A67 HydrophobicContact CG-CB 4.23Å; L65-L182 HydrophobicContact CD2-CD2 4.16Å; L65-S186 WeakPolarHBondContact O-CA 3.48Å; L65-S186 WeakPolarHBondContact O-CB 3.47Å; L65-S186 PolarHBondContact O-OG 3.44Å; L65-F227 WeakPolarHBondContact O-CE2 3.5Å
66I97.6Very high87.5Confident0 Ų032.6 Ų32.60%021%0.207CC..EExtended strand (participates in β ladder)trans-121.2106.9159.9-57174.2000107.9T10 L11 Q12 M68 S186 V188 L220 R223 L224 F227T10-I66 PolarHBondContact O-N 3.27Å; L11-I66 CarbonylContact C-O 2.91Å; L11-I66 VanDerWaalsContact CA-O 3.3Å; L11-I66 WeakPolarHBondContact CA-O 3.16Å; L11-I66 HydrophobicContact CG-CB 4.46Å; Q12-I66 PolarHBondContact N-O 3.33Å; I66-M68 HydrophobicContact CG2-CE 4.4Å; I66-S186 CarbonylContact C-O 3.59Å; I66-S186 WeakPolarHBondContact CA-O 3.28Å; I66-V188 HydrophobicContact CG2-CG2 3.77Å; I66-L220 HydrophobicContact CD1-CD1 4.16Å; I66-L220 HydrophobicContact CG2-CD1 4.04Å; I66-R223 HydrophobicContact CD1-CB 3.87Å; I66-R223 HydrophobicContact CG1-CB 4.39Å; I66-L224 HydrophobicContact CD1-CB 4.5Å; I66-L224 HydrophobicContact CD1-CD2 3.65Å; I66-L224 HydrophobicContact CD1-CG 3.78Å; I66-F227 HydrophobicContact CD1-CD2 4.07Å; I66-F227 HydrophobicContact CD1-CE2 4.43Å; I66-F227 HydrophobicContact CG1-CD2 3.84Å; I66-F227 HydrophobicContact CG1-CE2 3.77Å
67A97.3Very high88.1Confident1 Ų131 Ų311%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-103.3124.5176.400000109.8Q12 L65 S186 V188Q12-A67 HydrophobicContact CB-CB 4.26Å; Q12-A67 CarbonylContact O-C 3.59Å; Q12-A67 WeakPolarHBondContact O-CA 3.43Å; L65-A67 HydrophobicContact CD1-CB 4.33Å; L65-A67 HydrophobicContact CD2-CB 4.19Å; L65-A67 HydrophobicContact CG-CB 4.23Å; A67-S186 PolarHBondContact N-O 2.9Å; A67-V188 PolarHBondContact O-N 3.3Å
68M96.2Very high88.4Confident0 Ų035.9 Ų35.90%018%0.182CC..EExtended strand (participates in β ladder)trans-109.6131.5176.1-57.1-160.9172.500110.3Q12 L13 G14 N18 I66 V188 L220 L250Q12-M68 PolarHBondContact O-N 3.46Å; L13-M68 HydrophobicContact CD2-CB 3.99Å; L13-M68 HydrophobicContact CD2-CG 3.68Å; L13-M68 HydrophobicContact CD2-SD 3.74Å; G14-M68 PolarHBondContact N-O 3.43Å; G14-M68 VanDerWaalsContact N-O 3.16Å; N18-M68 PolarHBondContact ND2-O 3.09Å; I66-M68 HydrophobicContact CG2-CE 4.4Å; M68-V188 WeakPolarHBondContact CA-O 3.05Å; M68-V188 HydrophobicContact CE-CG2 4.36Å; M68-V188 HydrophobicContact CG-CB 4.01Å; M68-V188 HydrophobicContact CG-CG2 4.21Å; M68-L220 HydrophobicContact CE-CB 3.88Å; M68-L220 HydrophobicContact CE-CD1 3.29Å; M68-L220 HydrophobicContact CE-CD2 3.66Å; M68-L220 HydrophobicContact CE-CG 3.76Å; M68-L250 HydrophobicContact SD-CD2 4.08Å
69D95.3Very high88.6Confident2 Ų235.8 Ų35.81%0.01118%0.175CC..EExtended strand (participates in β ladder)trans-152.1170.8174.7-150.9-28.6000111H15 N18 S73 W174 V188 V189 I190H15-D69 IonicContact CE1-OD2 2.54Å; H15-D69 IonicContact CG-OD2 3.9Å; H15-D69 IonicContact ND1-OD1 3.72Å; H15-D69 IonicContact ND1-OD2 3.94Å; H15-D69 PolarHBondContact ND1-OD2 3.5Å; N18-D69 WeakPolarHBondContact ND2-CB 3.31Å; N18-D69 PolarHBondContact ND2-OD2 3.28Å; N18-D69 VanDerWaalsContact ND2-OD2 3.14Å; D69-S73 VanDerWaalsContact CB-OG 3.29Å; D69-S73 WeakPolarHBondContact CB-OG 3.36Å; D69-S73 VanDerWaalsContact CG-OG 3.32Å; D69-S73 WeakPolarHBondContact OD1-CB 3.33Å; D69-S73 WeakPolarHBondContact OD2-CB 3.43Å; D69-W174 VanDerWaalsContact OD2-CD1 3.3Å; D69-W174 PolarHBondContact OD2-NE1 2.91Å; D69-V188 PolarHBondContact N-O 3.35Å; D69-V188 VanDerWaalsContact N-O 3.14Å; D69-V189 CarbonylContact O-C 3.58Å; D69-V189 WeakPolarHBondContact O-CA 3.26Å; D69-I190 PolarHBondContact O-N 3.42Å
70L93.2Very high88.5Confident11 Ų1139.5 Ų39.56%0.05819%0.187CC..EExtended strand (participates in β ladder)trans-79.5162.1-178.6-53.5-172.1000111.9G72 S73 I190 F193 H195 L202 F247L70-G72 PolarHBondContact O-N 3.32Å; L70-S73 VanDerWaalsContact O-CB 3.31Å; L70-S73 WeakPolarHBondContact O-CB 3.42Å; L70-S73 PolarHBondContact O-N 3.38Å; L70-S73 PolarHBondContact O-OG 3.26Å; L70-I190 HydrophobicContact CD2-CB 4.07Å; L70-I190 HydrophobicContact CD2-CD1 4.37Å; L70-I190 HydrophobicContact CD2-CG2 4.41Å; L70-F193 HydrophobicContact CD1-CB 4.03Å; L70-F193 HydrophobicContact CD2-CB 3.96Å; L70-F193 HydrophobicContact CG-CB 4.49Å; L70-H195 HydrophobicContact CB-CB 4.26Å; L70-L202 HydrophobicContact CD1-CB 3.95Å; L70-L202 HydrophobicContact CD2-CB 4.24Å; L70-L202 HydrophobicContact CD2-CD2 3.99Å; L70-F247 HydrophobicContact CD1-CE2 4.32Å; L70-F247 HydrophobicContact CD2-CE1 4.35Å; L70-F247 HydrophobicContact CD2-CE2 4.06Å; L70-F247 HydrophobicContact CD2-CZ 3.52Å; L70-F247 HydrophobicContact CG-CE2 3.95Å; L70-F247 HydrophobicContact CG-CZ 3.69Å
71K88.9Confident88.1Confident108 Ų10839.1 Ų39.147%0.4719%0.187SC..EExtended strand (participates in β ladder)trans-57.7127.8172.1-174.6-178.6176-1760111V189 I190 F193 H195K71-V189 HydrophobicContact CB-CG1 4.29Å; K71-I190 PolarHBondContact N-O 3.13Å; K71-F193 WeakPolarHBondContact CB-O 3.4Å; K71-F193 PolarHBondContact N-O 3.07Å; K71-H195 PolarHBondContact O-N 3.38Å
72G84.2Confident87.3Confident48 Ų4839.3 Ų39.350%0.49520%0.197SC..THydrogen-bonded Turntrans103.8-17.7-179.700000114.4L70 L74L70-G72 PolarHBondContact O-N 3.32Å; G72-L74 PolarHBondContact O-N 2.69Å
73S86.8Confident86.1Confident0 Ų040.8 Ų40.80%021%0.205CC..THydrogen-bonded Turntrans-66.5-28.1-178.458.10000115.1D69 L70 V173D69-S73 VanDerWaalsContact CB-OG 3.29Å; D69-S73 WeakPolarHBondContact CB-OG 3.36Å; D69-S73 VanDerWaalsContact CG-OG 3.32Å; D69-S73 WeakPolarHBondContact OD1-CB 3.33Å; D69-S73 WeakPolarHBondContact OD2-CB 3.43Å; L70-S73 VanDerWaalsContact O-CB 3.31Å; L70-S73 WeakPolarHBondContact O-CB 3.42Å; L70-S73 PolarHBondContact O-N 3.38Å; L70-S73 PolarHBondContact O-OG 3.26Å; S73-V173 WeakPolarHBondContact O-CB 3.25Å; S73-V173 WeakPolarHBondContact O-CG1 3.37Å; S73-V173 WeakPolarHBondContact O-CG2 3.48Å
74L83.8Confident84.7Confident18 Ų1843.7 Ų43.79%0.09422%0.216CC..THydrogen-bonded Turntrans-78.6-24.1-174.8-58.9-176.8000113.7G72 T76 L77 Q79 W174 S175 V187 V189G72-L74 PolarHBondContact O-N 2.69Å; L74-T76 PolarHBondContact O-N 3.42Å; L74-L77 HydrophobicContact CB-CB 4.33Å; L74-L77 HydrophobicContact CD2-CD2 4.32Å; L74-L77 WeakPolarHBondContact O-CB 3.36Å; L74-L77 PolarHBondContact O-N 2.97Å; L74-Q79 HydrophobicContact CD1-CB 4.01Å; L74-W174 HydrophobicContact CD2-CH2 3.72Å; L74-W174 HydrophobicContact CD2-CZ2 3.3Å; L74-S175 WeakPolarHBondContact O-CB 3.05Å; L74-S175 PolarHBondContact O-OG 3.47Å; L74-V187 HydrophobicContact CD1-CG1 3.77Å; L74-V187 HydrophobicContact CD2-CG1 3.72Å; L74-V187 HydrophobicContact CG-CG1 4.35Å; L74-V189 HydrophobicContact CD1-CG2 3.61Å; L74-V189 HydrophobicContact CG-CG2 4.23Å
75R84.2Confident83.1Confident104 Ų10446 Ų4639%0.39223%0.23SC..THydrogen-bonded Turntrans44.1-92.3-175.4-165.1-178178.7-176.6-4.1113.5P108 E109 T172 V173 D176R75-P108 HydrophobicContact CG-CB 3.96Å; R75-P108 HydrophobicContact CG-CG 4.45Å; R75-P108 WeakPolarHBondContact O-CG 3.43Å; R75-E109 PolarHBondContact NH2-O 2.89Å; R75-T172 PolarHBondContact NH1-OG1 3.15Å; R75-V173 HydrophobicContact CB-CG2 3.79Å; R75-D176 IonicContact NH1-OD1 3.95Å; R75-D176 IonicContact NH1-OD2 2.81Å
76T81.4Confident80.7Confident29 Ų2951.5 Ų51.518%0.17827%0.266CS..THydrogen-bonded Turntrans-86.8-19.7-177.749.80000114.4L74 P108 K110 L114L74-T76 PolarHBondContact O-N 3.42Å; T76-P108 HydrophobicContact CG2-CB 4.18Å; T76-P108 HydrophobicContact CG2-CG 3.92Å; T76-K110 HydrophobicContact CG2-CG 3.66Å; T76-L114 HydrophobicContact CG2-CD1 4.28Å; T76-L114 WeakPolarHBondContact OG1-CD1 3.18Å
77L83.8Confident78.3Confident44 Ų4454.9 Ų54.923%0.2330%0.3CS..SBendtrans-79134.4-177.9-176.966.4000110.9L74 W174 L178 L182L74-L77 HydrophobicContact CB-CB 4.33Å; L74-L77 HydrophobicContact CD2-CD2 4.32Å; L74-L77 WeakPolarHBondContact O-CB 3.36Å; L74-L77 PolarHBondContact O-N 2.97Å; L77-W174 HydrophobicContact CD2-CH2 3.82Å; L77-W174 HydrophobicContact CD2-CZ3 3.87Å; L77-L178 HydrophobicContact CD1-CD2 4.33Å; L77-L178 HydrophobicContact CD2-CD2 3.84Å; L77-L182 HydrophobicContact CD2-CD1 4.13Å
78R80.5Confident75.7Confident153 Ų15356.9 Ų56.958%0.57732%0.321SS*.  trans-79.5134.6173.5-64-174.4-178.6-174.42.3109.9E80 G81 D85R78-E80 VanDerWaalsContact C-N 3.31Å; R78-E80 PolarHBondContact O-N 3.45Å; R78-G81 PolarHBondContact O-N 2.86Å; R78-D85 IonicContact NH1-OD2 2.83Å; R78-D85 PolarHBondContact NH1-OD2 2.9Å
79Q79.6Confident72.9Confident64 Ų6461.1 Ų61.130%0.29936%0.357SS..THydrogen-bonded Turntrans-58.9-41.6178.6-177.7176-7.800112.5L74 G81 V187 V189L74-Q79 HydrophobicContact CD1-CB 4.01Å; Q79-G81 PolarHBondContact O-N 3.05Å; Q79-V187 HydrophobicContact CG-CG1 4.41Å; Q79-V189 HydrophobicContact CG-CG2 4.12Å
80E76.8Confident70.1Confident151 Ų15165.7 Ų65.771%0.70639%0.394SS*.THydrogen-bonded Turntrans-78.90.4178.7-64.8164.8-173.500113R78 P184R78-E80 VanDerWaalsContact C-N 3.31Å; R78-E80 PolarHBondContact O-N 3.45Å; E80-P184 VanDerWaalsContact O-CA 3.3Å; E80-P184 WeakPolarHBondContact O-CA 3.35Å; E80-P184 VanDerWaalsContact O-CB 3.25Å; E80-P184 WeakPolarHBondContact O-CB 3.43Å; E80-P184 VanDerWaalsContact O-CG 3.23Å; E80-P184 WeakPolarHBondContact O-CG 3.45Å
81G75.3Confident67.5Low10 Ų1069.4 Ų69.410%0.10343%0.426CS..  trans68.2-170.4-169.400000112.7R78 Q79R78-G81 PolarHBondContact O-N 2.86Å; Q79-G81 PolarHBondContact O-N 3.05Å
82S70.3Confident65.2Low62 Ų6268.1 Ų68.143%0.43444%0.436SS..SBendtrans-120.7-11.5-179.154.10000114.1H181S82-H181 PolarHBondContact OG-CD2 2.81Å
83L66.8Low63.1Low32 Ų3269.7 Ų69.717%0.16845%0.445CS..THydrogen-bonded Turntrans-71.5-34.2-169.3-69.5174.3000114.7T60 T62 H181T60-L83 HydrophobicContact CG2-CD1 4.42Å; T60-L83 HydrophobicContact CG2-CD2 4.04Å; T62-L83 HydrophobicContact CG2-CD1 3.38Å; L83-H181 HydrophobicContact CD1-CB 3.58Å; L83-H181 HydrophobicContact CD2-CB 3.64Å; L83-H181 HydrophobicContact CG-CB 3.56Å
84Y64.7Low61.1Low60 Ų6074.9 Ų74.924%0.23548%0.476CS..THydrogen-bonded Turntrans-113.510.6-172.1-53.6-83.5000112.7Q53 P86 H183 P184Q53-Y84 WeakPolarHBondContact O-CE1 3.36Å; Y84-P86 WeakPolarHBondContact O-CD 3.38Å; Y84-H183 AromaticContact CE2-CD2 3.59Å; Y84-P184 VanDerWaalsContact CD2-CD 3.44Å; Y84-P184 HydrophobicContact CD2-CG 3.63Å; Y84-P184 HydrophobicContact CE2-CG 4.37Å; Y84-P184 HydrophobicContact CG-CG 4.4Å
85D61.5Low59.4Low66 Ų6679.8 Ų79.835%0.35351%0.507SS..  trans-72118.1174.7-174.9-3.9000108.6R78 G87R78-D85 IonicContact NH1-OD2 2.83Å; R78-D85 PolarHBondContact NH1-OD2 2.9Å; D85-G87 PolarHBondContact O-N 3.47Å; D85-G87 PolarHBondContact OD1-N 3.45Å
86P46.6Very low57.9Low118 Ų11884.5 Ų84.577%0.76653%0.525SS*.  trans-69.914.3-178.828.1-33.3000114Y84 G88Y84-P86 WeakPolarHBondContact O-CD 3.38Å; P86-G88 PolarHBondContact O-N 3.49Å; P86-G88 VanDerWaalsContact O-N 3.16Å
87G48.1Very low56.3Low71 Ų7188.7 Ų88.773%0.73256%0.562SS**SBendtrans71.95.9178.700000113.6D85D85-G87 PolarHBondContact O-N 3.47Å; D85-G87 PolarHBondContact OD1-N 3.45Å
88G41Very low55.3Low43 Ų4389.3 Ų89.344%0.44358%0.58SS.*  trans-95.1104.3164.800000106.8P86 A90P86-G88 PolarHBondContact O-N 3.49Å; P86-G88 VanDerWaalsContact O-N 3.16Å; G88-A90 VanDerWaalsContact C-N 3.34Å; G88-A90 PolarHBondContact O-N 3.09Å
89A37.9Very low53.6Low90 Ų9088 Ų8874%0.74459%0.594SS**  trans-44.3114153.600000105.3A91A89-A91 PolarHBondContact O-N 3.03Å
90A37Very low52.4Low97 Ų9788.9 Ų88.980%0.80260%0.604SS**  trans-56.794.7166.300000103.5G88 A92G88-A90 VanDerWaalsContact C-N 3.34Å; G88-A90 PolarHBondContact O-N 3.09Å; A90-A92 PolarHBondContact O-N 2.87Å
91A37.6Very low51.2Low89 Ų8986.7 Ų86.774%0.73660%0.601SS**  trans-55.8100.5165.500000101.3A89 A93A89-A91 PolarHBondContact O-N 3.03Å; A91-A93 PolarHBondContact O-N 3.03Å
92A41.3Very low50.5Low81 Ų8191.9 Ų91.967%0.66963%0.63SS**  trans-41.4110.7-174.300000105.2A90 V94A90-A92 PolarHBondContact O-N 2.87Å; A92-V94 VanDerWaalsContact C-N 3.25Å; A92-V94 VanDerWaalsContact O-CG2 3.3Å; A92-V94 WeakPolarHBondContact O-CG2 3.3Å; A92-V94 PolarHBondContact O-N 3.38Å
93A40.9Very low49.6Very low82 Ų8297 Ų9768%0.67865%0.647SS**  trans-59.7102.9-175.500000104.2A91 T95A91-A93 PolarHBondContact O-N 3.03Å; A93-T95 PolarHBondContact O-N 2.76Å; A93-T95 PolarHBondContact O-OG1 3.46Å
94V44.9Very low48.8Very low109 Ų109104.8 Ų104.866%0.66168%0.679SS**  trans-69.888.8-174.2178.80000105.2A92 W96A92-V94 VanDerWaalsContact C-N 3.25Å; A92-V94 VanDerWaalsContact O-CG2 3.3Å; A92-V94 WeakPolarHBondContact O-CG2 3.3Å; A92-V94 PolarHBondContact O-N 3.38Å; V94-W96 PolarHBondContact O-N 3.14Å
95T47.5Very low48.1Very low121 Ų121109.7 Ų109.774%0.74270%0.704SS**  trans-79.3-3.6179.534.30000112A93A93-T95 PolarHBondContact O-N 2.76Å; A93-T95 PolarHBondContact O-OG1 3.46Å
96W51.5Low48.2Very low202 Ų202110.5 Ų110.577%0.76572%0.715SS**  trans-101.1112.1-178.1-63.985.8000111V94 G98 V100V94-W96 PolarHBondContact O-N 3.14Å; W96-G98 PolarHBondContact O-N 3.19Å; W96-G98 VanDerWaalsContact O-N 3.13Å; W96-V100 HydrophobicContact CB-CG2 4.28Å
97A49.2Very low49.4Very low117 Ų117110.2 Ų110.297%0.96771%0.713SS**  trans-76.394.6170.300000109.8
98G62Low50.8Low58 Ų58109.7 Ų109.760%0.59870%0.697SS**SBendtrans177.4168.817700000112.2W96 V100W96-G98 PolarHBondContact O-N 3.19Å; W96-G98 VanDerWaalsContact O-N 3.13Å; G98-V100 VanDerWaalsContact C-N 3.34Å; G98-V100 PolarHBondContact O-N 3.29Å
99S45Very low52.8Low124 Ų124115.4 Ų115.487%0.86771%0.712SS**  trans-72.485.3175.4176.70000110.5
100V54.4Low55.1Low84 Ų84114.4 Ų114.451%0.50969%0.691SS.*  trans-89.1117.9175-178.70000109.4W96 G98 V102W96-V100 HydrophobicContact CB-CG2 4.28Å; G98-V100 VanDerWaalsContact C-N 3.34Å; G98-V100 PolarHBondContact O-N 3.29Å; V100-V102 HydrophobicContact CG1-CG2 4.11Å
101T52.3Low57.5Low105 Ų105110.6 Ų110.664%0.64466%0.657SS**  trans-88.1106.2167.948.20000109.3H103T101-H103 PolarHBondContact O-CD2 3.4Å; T101-H103 PolarHBondContact O-N 2.66Å
102V60.3Low59.8Low119 Ų119108.9 Ų108.972%0.72164%0.639SS**  trans-80.5107.5175.5-1790000108.7V100V100-V102 HydrophobicContact CG1-CG2 4.11Å
103H50.8Low61.9Low168 Ų168105 Ų10578%0.77861%0.607SS**  trans-88.9110.7171-70.5-91.6000109.2T101T101-H103 PolarHBondContact O-CD2 3.4Å; T101-H103 PolarHBondContact O-N 2.66Å
104K51.2Low64.1Low196 Ų196102 Ų10285%0.85258%0.579SS**  trans-92.3115.6174.4-168.8176.9-177.7178.50109.2
105H49.9Very low66Low164 Ų164101.1 Ų101.176%0.75957%0.568SS**PPolyproline II helixtrans-66.5150.3172.6-166.8-86000110.3
106S62.3Low67.8Low82 Ų8296 Ų9657%0.57354%0.536SS*.PPolyproline II helixtrans-61.1143.117351.90000110.2
107P72.4Confident69.3Low113 Ų11387.1 Ų87.173%0.73450%0.503SS*.PPolyproline II helixtrans-59.8144.3176.226.3-33.2000109.7
108P77.9Confident70.9Confident60 Ų6084.9 Ų84.939%0.3947%0.473SS..PPolyproline II helixtrans-61.2141.8175.623.8-30.7000110.3R75 T76 K110R75-P108 HydrophobicContact CG-CB 3.96Å; R75-P108 HydrophobicContact CG-CG 4.45Å; R75-P108 WeakPolarHBondContact O-CG 3.43Å; T76-P108 HydrophobicContact CG2-CB 4.18Å; T76-P108 HydrophobicContact CG2-CG 3.92Å; P108-K110 PolarHBondContact O-N 3.31Å
109E82.2Confident71.9Confident162 Ų16285.9 Ų85.976%0.75746%0.461SS*.PPolyproline II helixtrans-63.9131.1175.4-67.1-177.5171.400110.3R75R75-E109 PolarHBondContact NH2-O 2.89Å
110K85.4Confident73.4Confident69 Ų6980.8 Ų80.830%0.342%0.424SS..PPolyproline II helixtrans-89.2149175.6-76.2169.2-178.6148.10109.5T76 P108 L114 E115 E118T76-K110 HydrophobicContact CG2-CG 3.66Å; P108-K110 PolarHBondContact O-N 3.31Å; K110-L114 HydrophobicContact CB-CB 4.01Å; K110-L114 HydrophobicContact CD-CB 4.38Å; K110-L114 HydrophobicContact CG-CB 4.14Å; K110-L114 HydrophobicContact CG-CD1 4.32Å; K110-E115 HydrophobicContact CB-CG 3.91Å; K110-E118 VanDerWaalsContact CE-OE1 3.28Å; K110-E118 WeakPolarHBondContact CE-OE1 3.1Å; K110-E118 IonicContact NZ-OE1 2.85Å; K110-E118 PolarHBondContact NZ-OE1 3.44Å; K110-E118 IonicContact NZ-OE2 3.17Å; K110-E118 PolarHBondContact NZ-OE2 3.21Å
111N88.2Confident74.3Confident17 Ų1780.4 Ų80.49%0.09142%0.419CS..PPolyproline II helixtrans-76.3168.2167.666.636.2000110.3F113 L114 E115 L167 D176N111-F113 PolarHBondContact O-N 2.74Å; N111-F113 WeakPolarHBondContact OD1-CB 3.21Å; N111-F113 PolarHBondContact OD1-N 3.35Å; N111-F113 VanDerWaalsContact OD1-N 3.09Å; N111-L114 PolarHBondContact O-N 2.67Å; N111-L114 WeakPolarHBondContact OD1-CG 3.42Å; N111-L114 PolarHBondContact OD1-N 3.22Å; N111-E115 WeakPolarHBondContact O-CG 3.24Å; N111-E115 PolarHBondContact O-N 3.24Å; N111-L167 HydrophobicContact CB-CD2 4.39Å; N111-D176 PolarHBondContact ND2-O 3.34Å
112C86Confident75.4Confident53 Ų5381.8 Ų81.836%0.35842%0.416SS..Hα-helixtrans-60.1-29.1-178.355.40000113.8D116C112-D116 WeakPolarHBondContact O-CB 3.44Å; C112-D116 VanDerWaalsContact O-CG 3.29Å; C112-D116 PolarHBondContact O-N 3.11Å; C112-D116 VanDerWaalsContact O-N 3.15Å
113F86.1Confident75.6Confident1 Ų177.9 Ų77.90%0.00440%0.4CS..Hα-helixtrans-67.7-49.5175.9167.1-103.9000111.4N111 E115 D116 L117 Y165 L167 R179 P486N111-F113 PolarHBondContact O-N 2.74Å; N111-F113 WeakPolarHBondContact OD1-CB 3.21Å; N111-F113 PolarHBondContact OD1-N 3.35Å; N111-F113 VanDerWaalsContact OD1-N 3.09Å; F113-E115 VanDerWaalsContact C-N 3.33Å; F113-E115 PolarHBondContact O-N 3.17Å; F113-D116 PolarHBondContact O-N 2.92Å; F113-L117 HydrophobicContact CE1-CD2 4.34Å; F113-L117 HydrophobicContact CZ-CD2 4.33Å; F113-L117 WeakPolarHBondContact O-CB 3.25Å; F113-L117 PolarHBondContact O-N 2.84Å; F113-Y165 HydrophobicContact CB-CD1 3.8Å; F113-Y165 HydrophobicContact CB-CD2 4.36Å; F113-Y165 HydrophobicContact CB-CE1 3.98Å; F113-Y165 HydrophobicContact CB-CG 4.01Å; F113-Y165 AromaticContact CD2-CD2 3.9Å; F113-Y165 HydrophobicContact CD2-CD2 3.9Å; F113-Y165 HydrophobicContact CD2-CE1 4.43Å; F113-Y165 AromaticContact CD2-CE2 3.67Å; F113-Y165 HydrophobicContact CD2-CE2 3.67Å; F113-Y165 HydrophobicContact CD2-CG 4.4Å; F113-Y165 AromaticContact CD2-CZ 3.95Å; F113-Y165 HydrophobicContact CE2-CE2 4.47Å; F113-L167 HydrophobicContact CB-CD1 4.13Å; F113-L167 HydrophobicContact CB-CD2 4.17Å; F113-L167 HydrophobicContact CG-CD1 4.49Å; F113-R179 HydrophobicContact CZ-CB 4.22Å; F113-P486 HydrophobicContact CD1-CB 4.4Å; F113-P486 HydrophobicContact CD1-CG 4.11Å; F113-P486 HydrophobicContact CD2-CB 3.93Å; F113-P486 HydrophobicContact CD2-CG 4.14Å; F113-P486 HydrophobicContact CE1-CG 3.9Å; F113-P486 HydrophobicContact CE2-CB 4.15Å; F113-P486 HydrophobicContact CE2-CG 3.94Å; F113-P486 HydrophobicContact CG-CB 4.07Å; F113-P486 HydrophobicContact CG-CG 4.23Å; F113-P486 HydrophobicContact CZ-CB 4.49Å; F113-P486 HydrophobicContact CZ-CG 3.82Å
114L86.4Confident75.9Confident17 Ų1774.7 Ų74.79%0.08939%0.385CS..Hα-helixtrans-65.8-35.3179.3-67.9-179.6000112.2T76 K110 N111 L117 E118T76-L114 HydrophobicContact CG2-CD1 4.28Å; T76-L114 WeakPolarHBondContact OG1-CD1 3.18Å; K110-L114 HydrophobicContact CB-CB 4.01Å; K110-L114 HydrophobicContact CD-CB 4.38Å; K110-L114 HydrophobicContact CG-CB 4.14Å; K110-L114 HydrophobicContact CG-CD1 4.32Å; N111-L114 PolarHBondContact O-N 2.67Å; N111-L114 WeakPolarHBondContact OD1-CG 3.42Å; N111-L114 PolarHBondContact OD1-N 3.22Å; L114-L117 HydrophobicContact CD2-CD2 4.46Å; L114-L117 PolarHBondContact O-N 3.14Å; L114-E118 WeakPolarHBondContact O-CG 3.43Å; L114-E118 PolarHBondContact O-N 2.85Å
115E85.8Confident76.1Confident92 Ų9266.7 Ų66.743%0.4335%0.352SS..Hα-helixtrans-63-44.8173.4-71179.9170.200112.1K110 N111 F113 E118 K119K110-E115 HydrophobicContact CB-CG 3.91Å; N111-E115 WeakPolarHBondContact O-CG 3.24Å; N111-E115 PolarHBondContact O-N 3.24Å; F113-E115 VanDerWaalsContact C-N 3.33Å; F113-E115 PolarHBondContact O-N 3.17Å; E115-E118 PolarHBondContact O-N 2.83Å; E115-K119 WeakPolarHBondContact O-CG 3.08Å; E115-K119 PolarHBondContact O-N 3.18Å; E115-K119 VanDerWaalsContact O-N 3.09Å
116D84.4Confident75.9Confident13 Ų1363.1 Ų63.17%0.0734%0.338CS..Hα-helixtrans-69.5-35.8178.1-70.6-18.2000111C112 F113 K119 L120 I125 K163 Y165C112-D116 WeakPolarHBondContact O-CB 3.44Å; C112-D116 VanDerWaalsContact O-CG 3.29Å; C112-D116 PolarHBondContact O-N 3.11Å; C112-D116 VanDerWaalsContact O-N 3.15Å; F113-D116 PolarHBondContact O-N 2.92Å; D116-K119 PolarHBondContact O-N 2.76Å; D116-K119 IonicContact OD1-NZ 3.22Å; D116-K119 PolarHBondContact OD1-NZ 3.42Å; D116-K119 VanDerWaalsContact OD1-NZ 3.14Å; D116-L120 WeakPolarHBondContact O-CG 3.38Å; D116-L120 PolarHBondContact O-N 3.03Å; D116-I125 WeakPolarHBondContact O-CD1 3.48Å; D116-K163 IonicContact OD1-NZ 2.73Å; D116-K163 WeakPolarHBondContact OD2-CD 3.31Å; D116-K163 IonicContact OD2-NZ 3.14Å; D116-K163 PolarHBondContact OD2-NZ 3.21Å; D116-Y165 WeakPolarHBondContact CB-OH 3.43Å; D116-Y165 PolarHBondContact OD2-OH 2.75Å
117L83.4Confident74.8Confident15 Ų1563.5 Ų63.58%0.07934%0.337CS..Hα-helixtrans-60.8-44.9172.9-168.269.2000111.6F113 L114 K119 L120 D121 F154 R179F113-L117 HydrophobicContact CE1-CD2 4.34Å; F113-L117 HydrophobicContact CZ-CD2 4.33Å; F113-L117 WeakPolarHBondContact O-CB 3.25Å; F113-L117 PolarHBondContact O-N 2.84Å; L114-L117 HydrophobicContact CD2-CD2 4.46Å; L114-L117 PolarHBondContact O-N 3.14Å; L117-K119 VanDerWaalsContact C-N 3.33Å; L117-K119 PolarHBondContact O-N 2.61Å; L117-L120 WeakPolarHBondContact O-CB 3.27Å; L117-L120 PolarHBondContact O-N 2.97Å; L117-D121 PolarHBondContact O-N 2.98Å; L117-F154 HydrophobicContact CD1-CE1 4.13Å; L117-F154 HydrophobicContact CD1-CZ 3.68Å; L117-R179 HydrophobicContact CD1-CG 4.49Å
118E83.3Confident73.2Confident71 Ų7164.8 Ų64.833%0.33233%0.333SS..Hα-helixtrans-66.9-32.8176.5-76.2-163.615200113.7K110 L114 E115 L120 K122K110-E118 VanDerWaalsContact CE-OE1 3.28Å; K110-E118 WeakPolarHBondContact CE-OE1 3.1Å; K110-E118 IonicContact NZ-OE1 2.85Å; K110-E118 PolarHBondContact NZ-OE1 3.44Å; K110-E118 IonicContact NZ-OE2 3.17Å; K110-E118 PolarHBondContact NZ-OE2 3.21Å; L114-E118 WeakPolarHBondContact O-CG 3.43Å; L114-E118 PolarHBondContact O-N 2.85Å; E115-E118 PolarHBondContact O-N 2.83Å; E118-L120 VanDerWaalsContact C-N 3.32Å; E118-K122 WeakPolarHBondContact O-CB 3.28Å; E118-K122 VanDerWaalsContact O-CG 3.28Å; E118-K122 WeakPolarHBondContact O-CG 3.26Å; E118-K122 PolarHBondContact O-N 3.02Å; E118-K122 VanDerWaalsContact O-N 3.13Å
119K82.4Confident71.4Confident78 Ų7864.7 Ų64.734%0.33934%0.337SS..Hα-helixtrans-68.2-35.5173.5-70.2169.8-165161.70111.1E115 D116 L117 K122 G123 Q124 I125E115-K119 WeakPolarHBondContact O-CG 3.08Å; E115-K119 PolarHBondContact O-N 3.18Å; E115-K119 VanDerWaalsContact O-N 3.09Å; D116-K119 PolarHBondContact O-N 2.76Å; D116-K119 IonicContact OD1-NZ 3.22Å; D116-K119 PolarHBondContact OD1-NZ 3.42Å; D116-K119 VanDerWaalsContact OD1-NZ 3.14Å; L117-K119 VanDerWaalsContact C-N 3.33Å; L117-K119 PolarHBondContact O-N 2.61Å; K119-K122 PolarHBondContact O-N 2.88Å; K119-G123 PolarHBondContact O-N 3.46Å; K119-Q124 HydrophobicContact CB-CB 4.43Å; K119-Q124 PolarHBondContact O-N 3.46Å; K119-I125 HydrophobicContact CB-CD1 3.62Å; K119-I125 HydrophobicContact CB-CG1 3.89Å
120L75.3Confident69.3Low18 Ų1863.7 Ų63.79%0.09433%0.332CS..Hα-helixtrans-65.3-47.8174-73.2170.4000111D116 L117 E118 K122 G123 I125 F154 L158D116-L120 WeakPolarHBondContact O-CG 3.38Å; D116-L120 PolarHBondContact O-N 3.03Å; L117-L120 WeakPolarHBondContact O-CB 3.27Å; L117-L120 PolarHBondContact O-N 2.97Å; E118-L120 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 3.21Å; L120-G123 WeakPolarHBondContact O-CA 3.44Å; L120-G123 PolarHBondContact O-N 3.13Å; L120-I125 HydrophobicContact CB-CD1 4.42Å; L120-I125 HydrophobicContact CD1-CD1 4.46Å; L120-I125 HydrophobicContact CD2-CB 3.9Å; L120-I125 HydrophobicContact CD2-CD1 3.6Å; L120-I125 HydrophobicContact CD2-CG1 4.35Å; L120-I125 HydrophobicContact CD2-CG2 3.98Å; L120-I125 HydrophobicContact CG-CD1 3.48Å; L120-I125 VanDerWaalsContact CG-CD1 3.48Å; L120-F154 HydrophobicContact CB-CE2 3.93Å; L120-F154 HydrophobicContact CB-CZ 4.39Å; L120-F154 HydrophobicContact CD1-CZ 4.44Å; L120-L158 HydrophobicContact CD1-CD1 3.21Å; L120-L158 HydrophobicContact CD1-CG 4.5Å
121D74.5Confident66.9Low76 Ų7668.4 Ų68.441%0.40635%0.353SS..Hα-helixtrans-58.8-33177.9-74.8-5.4000112.1L117 G123 H181L117-D121 PolarHBondContact O-N 2.98Å; D121-G123 VanDerWaalsContact C-N 3.33Å; D121-H181 IonicContact OD1-CE1 3.42Å; D121-H181 PolarHBondContact OD1-CE1 3.03Å; D121-H181 IonicContact OD1-NE2 3.82Å; D121-H181 IonicContact OD2-CE1 2.78Å; D121-H181 IonicContact OD2-NE2 3.95Å; D121-H181 PolarHBondContact OD2-NE2 3.14Å
122K74.4Confident64.3Low133 Ų13371.8 Ų71.858%0.57838%0.377SS*.THydrogen-bonded Turntrans-84.6-0.8175.5-67.6171.8-172.6166.20114E118 K119 L120 Q124E118-K122 WeakPolarHBondContact O-CB 3.28Å; E118-K122 VanDerWaalsContact O-CG 3.28Å; E118-K122 WeakPolarHBondContact O-CG 3.26Å; E118-K122 PolarHBondContact O-N 3.02Å; E118-K122 VanDerWaalsContact O-N 3.13Å; K119-K122 PolarHBondContact O-N 2.88Å; L120-K122 PolarHBondContact O-N 3.21Å; K122-Q124 VanDerWaalsContact C-N 3.25Å; K122-Q124 HydrophobicContact CB-CG 3.89Å; K122-Q124 PolarHBondContact O-N 3.42Å
123G65Low61.8Low37 Ų3773.2 Ų73.238%0.38139%0.388SS..THydrogen-bonded Turntrans68.515.5-177.700000115.1K119 L120 D121K119-G123 PolarHBondContact O-N 3.46Å; L120-G123 WeakPolarHBondContact O-CA 3.44Å; L120-G123 PolarHBondContact O-N 3.13Å; D121-G123 VanDerWaalsContact C-N 3.33Å
124Q56.7Low59.1Low102 Ų10277 Ų7748%0.47742%0.419SS..  trans-78.8-28.5-170.7-67.3178.2-0.100113.4K119 K122 L126 T127K119-Q124 HydrophobicContact CB-CB 4.43Å; K119-Q124 PolarHBondContact O-N 3.46Å; K122-Q124 VanDerWaalsContact C-N 3.25Å; K122-Q124 HydrophobicContact CB-CG 3.89Å; K122-Q124 PolarHBondContact O-N 3.42Å; Q124-L126 VanDerWaalsContact C-N 3.28Å; Q124-L126 PolarHBondContact O-N 3.27Å; Q124-T127 PolarHBondContact O-N 3.05Å; Q124-T127 PolarHBondContact O-OG1 3.39Å
125I55.1Low56.6Low28 Ų2880.7 Ų80.714%0.14445%0.447CS..Hα-helixtrans-68.3-24.5-178.5-78.7157.1000113.2D116 K119 L120 T127 E128 A129 V161D116-I125 WeakPolarHBondContact O-CD1 3.48Å; K119-I125 HydrophobicContact CB-CD1 3.62Å; K119-I125 HydrophobicContact CB-CG1 3.89Å; L120-I125 HydrophobicContact CB-CD1 4.42Å; L120-I125 HydrophobicContact CD1-CD1 4.46Å; L120-I125 HydrophobicContact CD2-CB 3.9Å; L120-I125 HydrophobicContact CD2-CD1 3.6Å; L120-I125 HydrophobicContact CD2-CG1 4.35Å; L120-I125 HydrophobicContact CD2-CG2 3.98Å; L120-I125 HydrophobicContact CG-CD1 3.48Å; L120-I125 VanDerWaalsContact CG-CD1 3.48Å; I125-T127 PolarHBondContact O-N 3.18Å; I125-E128 PolarHBondContact O-N 2.96Å; I125-A129 PolarHBondContact O-N 3.04Å; I125-V161 HydrophobicContact CG2-CG2 4.09Å
126L46.8Very low54.2Low89 Ų8984.4 Ų84.447%0.46646%0.464SS..Hα-helixtrans-62.6-29.7176.7-66.8170.6000112.2Q124 E130Q124-L126 VanDerWaalsContact C-N 3.28Å; Q124-L126 PolarHBondContact O-N 3.27Å; L126-E130 WeakPolarHBondContact O-CG 3.44Å; L126-E130 PolarHBondContact O-N 3.2Å
127T40Very low51.7Low90 Ų9090.9 Ų90.955%0.55250%0.498SS*.Hα-helixtrans-75.1-26.2-17861.90000114Q124 I125 F131Q124-T127 PolarHBondContact O-N 3.05Å; Q124-T127 PolarHBondContact O-OG1 3.39Å; I125-T127 PolarHBondContact O-N 3.18Å; T127-F131 WeakPolarHBondContact O-CD2 3.41Å
128E38.5Very low49.2Very low140 Ų140100.1 Ų100.165%0.65454%0.541SS*.Hα-helixtrans-87.6-35.5-179.3-70.7-178.5166.200112.5I125 F131 C132I125-E128 PolarHBondContact O-N 2.96Å; E128-F131 PolarHBondContact O-N 3.28Å; E128-C132 PolarHBondContact O-N 2.94Å
129A40Very low46.5Very low58 Ų5899.8 Ų99.848%0.47956%0.556SS.*Hα-helixtrans-70.2-33178.500000113.1I125 F131 S133I125-A129 PolarHBondContact O-N 3.04Å; A129-F131 VanDerWaalsContact C-N 3.35Å; A129-S133 PolarHBondContact O-N 3.38Å; A129-S133 PolarHBondContact O-OG 2.83Å
130E38.3Very low44Very low141 Ų141102.4 Ų102.466%0.65958%0.584SS**Hα-helixtrans-68-33.5173-73.1-177.3165.100112L126 A134L126-E130 WeakPolarHBondContact O-CG 3.44Å; L126-E130 PolarHBondContact O-N 3.2Å; E130-A134 PolarHBondContact O-N 2.7Å
131F33.9Very low41.7Very low167 Ų167104.9 Ų104.973%0.73261%0.614SS**Hα-helixtrans-71.9-36176.7-102.9-90.9000113.4T127 E128 A129T127-F131 WeakPolarHBondContact O-CD2 3.41Å; E128-F131 PolarHBondContact O-N 3.28Å; A129-F131 VanDerWaalsContact C-N 3.35Å
132C34.8Very low39.3Very low89 Ų89107.4 Ų107.460%0.60164%0.636SS**Hα-helixtrans-67.4-38.1174.9-76.70000112E128 S135E128-C132 PolarHBondContact O-N 2.94Å; C132-S135 PolarHBondContact O-N 2.93Å; C132-S135 PolarHBondContact O-OG 2.89Å
133S32.8Very low37.2Very low82 Ų82107.1 Ų107.157%0.57365%0.648SS**Hα-helixtrans-73.8-28.6-178.1-51.40000113.2A129 S135A129-S133 PolarHBondContact O-N 3.38Å; A129-S133 PolarHBondContact O-OG 2.83Å; S133-S135 VanDerWaalsContact C-N 3.3Å; S133-S135 PolarHBondContact O-N 3.5Å
134A30.3Very low35.3Very low81 Ų81109.4 Ų109.467%0.66966%0.664SS**Hα-helixtrans-73.5-19176.500000113.7E130E130-A134 PolarHBondContact O-N 2.7Å
135S33.3Very low33.9Very low95 Ų95110.2 Ų110.266%0.66468%0.678SS**THydrogen-bonded Turntrans-83.7-5.3-176.870.90000114.9C132 S133C132-S135 PolarHBondContact O-N 2.93Å; C132-S135 PolarHBondContact O-OG 2.89Å; S133-S135 VanDerWaalsContact C-N 3.3Å; S133-S135 PolarHBondContact O-N 3.5Å
136Q34.8Very low32.7Very low170 Ų170115 Ų11579%0.79471%0.711SS**SBendtrans-119.88-174.3-73.4-166.6-1100116.5
137L32.3Very low31.8Very low149 Ų149113.4 Ų113.478%0.7872%0.716SS**  trans-125.673177.3-70.8168.6000112.4
138Q30.5Very low31.1Very low209 Ų209115.7 Ų115.798%0.97773%0.732SS**  trans-90.694.1147.4-83.9-173.812.400108.2
139G26.4Very low30.7Very low63 Ų63117.5 Ų117.565%0.64975%0.745SS**SBendtrans178.484.6177.200000113.2
140S31Very low30.2Very low133 Ų133117.8 Ų117.893%0.9375%0.753SS**  trans29.5106.6152.71790000119
141G25.8Very low30.1Very low71 Ų71117.6 Ų117.673%0.73276%0.761SS**  trans170.6124.9157.800000112.2
142C25.6Very low30.3Very low129 Ų129112.9 Ų112.987%0.87274%0.744SS**PPolyproline II helixtrans-55.7138.6-178.4-58.90000112.3A144C142-A144 PolarHBondContact O-N 3.15Å
143P28.5Very low31.2Very low126 Ų126109.2 Ų109.282%0.81872%0.719SS**PPolyproline II helixtrans-74.2124.3175.624.6-22.2000110.1
144A26.8Very low32.1Very low86 Ų86108.2 Ų108.271%0.71171%0.705SS**PPolyproline II helixtrans-64148.9163.900000109.6C142C142-A144 PolarHBondContact O-N 3.15Å
145P26.8Very low33.4Very low119 Ų119104.9 Ų104.977%0.77368%0.676SS**PPolyproline II helixtrans-64.5145.6-176.626-32.5000111.2G147P145-G147 PolarHBondContact O-N 2.96Å
146P30.2Very low34.5Very low129 Ų129103.5 Ų103.584%0.83866%0.661SS**PPolyproline II helixtrans-65.3120.8179.426.3-31.3000109.4
147G27.3Very low35.5Very low55 Ų5597.7 Ų97.757%0.56763%0.634SS**PPolyproline II helixtrans-62.8165.9162.600000110.7P145 L149P145-G147 PolarHBondContact O-N 2.96Å; G147-L149 PolarHBondContact O-N 2.79Å
148P26.2Very low36.5Very low137 Ų13790.8 Ų90.889%0.8960%0.597SS**PPolyproline II helixtrans-57.7132.5-175.8-15.227.9000110.1G150P148-G150 VanDerWaalsContact C-N 3.31Å; P148-G150 PolarHBondContact O-N 2.82Å
149L29.4Very low37.7Very low179 Ų17983.5 Ų83.594%0.93757%0.568SS**  trans-55.590.1174.7-72.2154.5000109.9G147G147-L149 PolarHBondContact O-N 2.79Å
150G30Very low38.8Very low63 Ų6388.8 Ų88.865%0.64957%0.568SS**  trans-66.9127161.400000107.5P148 D152P148-G150 VanDerWaalsContact C-N 3.31Å; P148-G150 PolarHBondContact O-N 2.82Å; G150-D152 PolarHBondContact O-N 3.17Å
151V35.8Very low39.8Very low137 Ų13785.1 Ų85.183%0.8354%0.54SS*.  trans-62.299.8173.7-178.60000106.9S153V151-S153 PolarHBondContact O-N 3.06Å
152D37.7Very low41.3Very low69 Ų6987.9 Ų87.937%0.36953%0.534SS..  trans-54.4111.9171.5-92.6-25.8000107.3G150 F154 Q157 R160G150-D152 PolarHBondContact O-N 3.17Å; D152-F154 PolarHBondContact O-N 3.39Å; D152-Q157 HydrophobicContact CB-CG 4.26Å; D152-Q157 PolarHBondContact O-NE2 3.29Å; D152-R160 IonicContact OD1-NH2 3.06Å; D152-R160 PolarHBondContact OD1-NH2 3.41Å; D152-R160 IonicContact OD2-CZ 2.8Å; D152-R160 VanDerWaalsContact OD2-CZ 3.31Å; D152-R160 IonicContact OD2-NH1 3.58Å; D152-R160 PolarHBondContact OD2-NH1 2.88Å; D152-R160 IonicContact OD2-NH2 2.82Å; D152-R160 PolarHBondContact OD2-NH2 3.08Å
153S53.3Low43.2Very low12 Ų1286.2 Ų86.28%0.08451%0.512CS..  trans-51.9139.1-177.7175.30000111.1Y34 V151 N155 N156 Q157Y34-S153 WeakPolarHBondContact CD2-OG 3.33Å; V151-S153 PolarHBondContact O-N 3.06Å; S153-N155 PolarHBondContact O-N 3.19Å; S153-N156 WeakPolarHBondContact O-CA 3.41Å; S153-N156 WeakPolarHBondContact O-CB 3.32Å; S153-N156 PolarHBondContact O-N 3.31Å; S153-Q157 PolarHBondContact O-N 2.81Å; S153-Q157 VanDerWaalsContact O-N 3.07Å
154F52.2Low45.1Very low60 Ų6085.5 Ų85.526%0.26350%0.501SS..Hα-helixtrans-47.4-36.9176.1-175-97.3000112.4L117 L120 D152 Q157 L158L117-F154 HydrophobicContact CD1-CE1 4.13Å; L117-F154 HydrophobicContact CD1-CZ 3.68Å; L120-F154 HydrophobicContact CB-CE2 3.93Å; L120-F154 HydrophobicContact CB-CZ 4.39Å; L120-F154 HydrophobicContact CD1-CZ 4.44Å; D152-F154 PolarHBondContact O-N 3.39Å; F154-Q157 PolarHBondContact O-N 3.23Å; F154-L158 PolarHBondContact O-N 3.31Å
155N56.7Low47.6Very low11 Ų1182.6 Ų82.66%0.05947%0.472CS..Hα-helixtrans-61.9-44.1175.3-64.77.6000111.4D29 S153 Q157 T159 R179D29-N155 PolarHBondContact O-ND2 3Å; S153-N155 PolarHBondContact O-N 3.19Å; N155-Q157 VanDerWaalsContact C-N 3.34Å; N155-T159 WeakPolarHBondContact O-CB 3.41Å; N155-T159 PolarHBondContact O-N 3.48Å; N155-T159 PolarHBondContact O-OG1 3.46Å; N155-R179 PolarHBondContact OD1-NH2 3.26Å
156N57.2Low50.2Low66 Ų6687.3 Ų87.335%0.35347%0.474SS..Hα-helixtrans-68.1-34.6178-67.2-19.2000111.6S153 T159 R160S153-N156 WeakPolarHBondContact O-CA 3.41Å; S153-N156 WeakPolarHBondContact O-CB 3.32Å; S153-N156 PolarHBondContact O-N 3.31Å; N156-T159 PolarHBondContact O-N 2.86Å; N156-R160 WeakPolarHBondContact O-CB 3.23Å; N156-R160 WeakPolarHBondContact O-CG 3.25Å; N156-R160 PolarHBondContact O-N 3.28Å
157Q55.3Low52.9Low48 Ų4881.1 Ų81.122%0.22443%0.434CS..Hα-helixtrans-67.7-45.4176.5-64.4-179.8-1400111.9D152 S153 F154 N155 T159 R160 V161D152-Q157 HydrophobicContact CB-CG 4.26Å; D152-Q157 PolarHBondContact O-NE2 3.29Å; S153-Q157 PolarHBondContact O-N 2.81Å; S153-Q157 VanDerWaalsContact O-N 3.07Å; F154-Q157 PolarHBondContact O-N 3.23Å; N155-Q157 VanDerWaalsContact C-N 3.34Å; Q157-T159 VanDerWaalsContact C-N 3.34Å; Q157-T159 PolarHBondContact O-N 3.46Å; Q157-R160 PolarHBondContact O-N 3.41Å; Q157-V161 WeakPolarHBondContact O-CG2 3.3Å; Q157-V161 PolarHBondContact O-N 3.19Å; Q157-V161 VanDerWaalsContact O-N 3.16Å
158L54.7Low55.6Low4 Ų481.8 Ų81.82%0.02142%0.422CS..Hα-helixtrans-65.7-37.5175.1-16080.4000111.7L120 F154 R160 V161 Q162L120-L158 HydrophobicContact CD1-CD1 3.21Å; L120-L158 HydrophobicContact CD1-CG 4.5Å; F154-L158 PolarHBondContact O-N 3.31Å; L158-R160 VanDerWaalsContact C-N 3.33Å; L158-R160 PolarHBondContact O-N 3.33Å; L158-V161 PolarHBondContact O-N 2.87Å; L158-Q162 PolarHBondContact O-N 3.21Å
159T54.6Low58.3Low57 Ų5779.1 Ų79.135%0.3542%0.42SS..Hα-helixtrans-67-33.4176.5-480000111.8N155 N156 Q157 V161 Q162N155-T159 WeakPolarHBondContact O-CB 3.41Å; N155-T159 PolarHBondContact O-N 3.48Å; N155-T159 PolarHBondContact O-OG1 3.46Å; N156-T159 PolarHBondContact O-N 2.86Å; Q157-T159 VanDerWaalsContact C-N 3.34Å; Q157-T159 PolarHBondContact O-N 3.46Å; T159-V161 VanDerWaalsContact C-N 3.34Å; T159-Q162 WeakPolarHBondContact O-CB 3.42Å; T159-Q162 VanDerWaalsContact O-CG 3.29Å; T159-Q162 WeakPolarHBondContact O-CG 3.41Å; T159-Q162 PolarHBondContact O-N 3.16Å
160R50.7Low61Low174 Ų17472.6 Ų72.666%0.65739%0.389SS*.Hα-helixtrans-67.8-31.9171.7-78.9-179.6-171.9161.311.3112.6D152 N156 Q157 L158 Q162D152-R160 IonicContact OD1-NH2 3.06Å; D152-R160 PolarHBondContact OD1-NH2 3.41Å; D152-R160 IonicContact OD2-CZ 2.8Å; D152-R160 VanDerWaalsContact OD2-CZ 3.31Å; D152-R160 IonicContact OD2-NH1 3.58Å; D152-R160 PolarHBondContact OD2-NH1 2.88Å; D152-R160 IonicContact OD2-NH2 2.82Å; D152-R160 PolarHBondContact OD2-NH2 3.08Å; N156-R160 WeakPolarHBondContact O-CB 3.23Å; N156-R160 WeakPolarHBondContact O-CG 3.25Å; N156-R160 PolarHBondContact O-N 3.28Å; Q157-R160 PolarHBondContact O-N 3.41Å; L158-R160 VanDerWaalsContact C-N 3.33Å; L158-R160 PolarHBondContact O-N 3.33Å; R160-Q162 VanDerWaalsContact C-N 3.3Å
161V52.3Low63.9Low56 Ų5670 Ų7034%0.33936%0.361SS..Hα-helixtrans-73.9-23.6176.9174.70000111.7I125 Q157 L158 T159 K163I125-V161 HydrophobicContact CG2-CG2 4.09Å; Q157-V161 WeakPolarHBondContact O-CG2 3.3Å; Q157-V161 PolarHBondContact O-N 3.19Å; Q157-V161 VanDerWaalsContact O-N 3.16Å; L158-V161 PolarHBondContact O-N 2.87Å; T159-V161 VanDerWaalsContact C-N 3.34Å; V161-K163 HydrophobicContact CG1-CB 4.16Å; V161-K163 PolarHBondContact O-N 2.96Å
162Q55.3Low66.3Low129 Ų12966.1 Ų66.160%0.60334%0.337SS*.  trans3538.5167.7-122.9177.646.900115.2L158 T159 R160 N164L158-Q162 PolarHBondContact O-N 3.21Å; T159-Q162 WeakPolarHBondContact O-CB 3.42Å; T159-Q162 VanDerWaalsContact O-CG 3.29Å; T159-Q162 WeakPolarHBondContact O-CG 3.41Å; T159-Q162 PolarHBondContact O-N 3.16Å; R160-Q162 VanDerWaalsContact C-N 3.3Å; Q162-N164 PolarHBondContact O-N 3.18Å
163K65.8Low68.9Low94 Ų9463 Ų6341%0.40932%0.321SS..  trans-86.3117.8-174.9-166.1172.9176.8-175.10107.7D116 V161 Y165D116-K163 IonicContact OD1-NZ 2.73Å; D116-K163 WeakPolarHBondContact OD2-CD 3.31Å; D116-K163 IonicContact OD2-NZ 3.14Å; D116-K163 PolarHBondContact OD2-NZ 3.21Å; V161-K163 HydrophobicContact CG1-CB 4.16Å; V161-K163 PolarHBondContact O-N 2.96Å; K163-Y165 HydrophobicContact CB-CE1 4.38Å; K163-Y165 HydrophobicContact CB-CE2 4.22Å; K163-Y165 HydrophobicContact CD-CE1 3.9Å; K163-Y165 HydrophobicContact CG-CE1 4.21Å; K163-Y165 WeakPolarHBondContact O-CD2 3.33Å; K163-Y165 WeakPolarHBondContact O-CE2 3.43Å; K163-Y165 PolarHBondContact O-N 2.9Å
164N68.4Low70.8Confident111 Ų11162.6 Ų62.659%0.59432%0.317SS*.  trans-71.897.8174.2-74-24.8000108.9Q162 R166Q162-N164 PolarHBondContact O-N 3.18Å; N164-R166 PolarHBondContact O-N 2.98Å
165Y79.4Confident72.7Confident24 Ų2459.9 Ų59.99%0.09431%0.306CS..  trans-76.6120.9173.3-57.6-78.4000109.5F113 D116 K163 L167 P485 P486F113-Y165 HydrophobicContact CB-CD1 3.8Å; F113-Y165 HydrophobicContact CB-CD2 4.36Å; F113-Y165 HydrophobicContact CB-CE1 3.98Å; F113-Y165 HydrophobicContact CB-CG 4.01Å; F113-Y165 AromaticContact CD2-CD2 3.9Å; F113-Y165 HydrophobicContact CD2-CD2 3.9Å; F113-Y165 HydrophobicContact CD2-CE1 4.43Å; F113-Y165 AromaticContact CD2-CE2 3.67Å; F113-Y165 HydrophobicContact CD2-CE2 3.67Å; F113-Y165 HydrophobicContact CD2-CG 4.4Å; F113-Y165 AromaticContact CD2-CZ 3.95Å; F113-Y165 HydrophobicContact CE2-CE2 4.47Å; D116-Y165 WeakPolarHBondContact CB-OH 3.43Å; D116-Y165 PolarHBondContact OD2-OH 2.75Å; K163-Y165 HydrophobicContact CB-CE1 4.38Å; K163-Y165 HydrophobicContact CB-CE2 4.22Å; K163-Y165 HydrophobicContact CD-CE1 3.9Å; K163-Y165 HydrophobicContact CG-CE1 4.21Å; K163-Y165 WeakPolarHBondContact O-CD2 3.33Å; K163-Y165 WeakPolarHBondContact O-CE2 3.43Å; K163-Y165 PolarHBondContact O-N 2.9Å; Y165-L167 PolarHBondContact O-N 3.36Å; Y165-P485 HydrophobicContact CD2-CB 3.82Å; Y165-P485 HydrophobicContact CE2-CB 3.87Å; Y165-P486 HydrophobicContact CD2-CB 4.42Å
166R82.1Confident74.4Confident218 Ų21859.4 Ų59.482%0.82330%0.304SS*.  trans-94.386.8169.8-70.6-173.3179.5-177.1-0.5108.7N164 E168N164-R166 PolarHBondContact O-N 2.98Å; R166-E168 WeakPolarHBondContact CA-OE2 3.31Å; R166-E168 WeakPolarHBondContact CB-OE2 3.38Å
167L86.2Confident76Confident0 Ų056.3 Ų56.30%029%0.287CS..  trans-92.3-0.2-173.5-64.6-168.7000113.8N111 F113 Y165 G169 S170 V171 F177 Y336 P486N111-L167 HydrophobicContact CB-CD2 4.39Å; F113-L167 HydrophobicContact CB-CD1 4.13Å; F113-L167 HydrophobicContact CB-CD2 4.17Å; F113-L167 HydrophobicContact CG-CD1 4.49Å; Y165-L167 PolarHBondContact O-N 3.36Å; L167-G169 PolarHBondContact O-N 3.2Å; L167-G169 VanDerWaalsContact O-N 3.11Å; L167-S170 WeakPolarHBondContact CA-OG 3.39Å; L167-S170 WeakPolarHBondContact CD2-OG 3.15Å; L167-S170 PolarHBondContact O-N 3.19Å; L167-S170 PolarHBondContact O-OG 2.87Å; L167-V171 HydrophobicContact CB-CG2 3.69Å; L167-V171 HydrophobicContact CD1-CG2 4.22Å; L167-V171 WeakPolarHBondContact O-CG2 3.27Å; L167-V171 PolarHBondContact O-N 3.46Å; L167-F177 HydrophobicContact CD1-CB 4.1Å; L167-Y336 HydrophobicContact CB-CE1 4.09Å; L167-P486 HydrophobicContact CD1-CB 3.54Å; L167-P486 HydrophobicContact CD1-CG 4.25Å
168E85.3Confident77.8Confident68 Ų6854.5 Ų54.532%0.31828%0.279SS..THydrogen-bonded Turntrans-59.4-28.4-172.8-62.386.4171.300113.5R166 L334 H337R166-E168 WeakPolarHBondContact CA-OE2 3.31Å; R166-E168 WeakPolarHBondContact CB-OE2 3.38Å; E168-L334 HydrophobicContact CB-CD1 3.88Å; E168-L334 HydrophobicContact CG-CD1 4.22Å; E168-H337 VanDerWaalsContact CG-NE2 3.29Å; E168-H337 WeakPolarHBondContact CG-NE2 3.3Å; E168-H337 IonicContact OE1-NE2 2.79Å
169G82.9Confident79.3Confident82 Ų8254.5 Ų54.585%0.84528%0.279SS*.THydrogen-bonded Turntrans-99.9-11.2176.600000115L167L167-G169 PolarHBondContact O-N 3.2Å; L167-G169 VanDerWaalsContact O-N 3.11Å
170S86Confident80.9Confident41 Ų4152.4 Ų52.429%0.28727%0.265SS..THydrogen-bonded Turntrans-104.9-21.2-175.660.90000113.8L167 T172L167-S170 WeakPolarHBondContact CA-OG 3.39Å; L167-S170 WeakPolarHBondContact CD2-OG 3.15Å; L167-S170 PolarHBondContact O-N 3.19Å; L167-S170 PolarHBondContact O-OG 2.87Å; S170-T172 PolarHBondContact O-N 3.3Å
171V89.4Confident82.6Confident9 Ų946.7 Ų46.76%0.05525%0.246CC..  trans-79.8113.1-177170.60000110.5F19 L167 D176 F177 R278 Y336F19-V171 HydrophobicContact CE1-CG1 3.57Å; F19-V171 HydrophobicContact CZ-CG1 3.77Å; L167-V171 HydrophobicContact CB-CG2 3.69Å; L167-V171 HydrophobicContact CD1-CG2 4.22Å; L167-V171 WeakPolarHBondContact O-CG2 3.27Å; L167-V171 PolarHBondContact O-N 3.46Å; V171-D176 HydrophobicContact CG1-CB 4.48Å; V171-D176 HydrophobicContact CG2-CB 4.14Å; V171-F177 HydrophobicContact CG1-CD1 3.76Å; V171-F177 HydrophobicContact CG1-CE1 3.91Å; V171-F177 HydrophobicContact CG2-CD1 4.11Å; V171-R278 PolarHBondContact O-NH2 3.48Å; V171-Y336 HydrophobicContact CG1-CD2 4.13Å; V171-Y336 HydrophobicContact CG1-CG 4.36Å; V171-Y336 HydrophobicContact CG2-CD2 4.32Å; V171-Y336 HydrophobicContact CG2-CE2 4.4Å
172T86.7Confident84.4Confident55 Ų5544.3 Ų44.334%0.33723%0.231SC..  trans-105.9-43.517749.70000111.2R75 S170 D176 R278R75-T172 PolarHBondContact NH1-OG1 3.15Å; S170-T172 PolarHBondContact O-N 3.3Å; T172-D176 PolarHBondContact N-OD2 2.64Å; T172-D176 PolarHBondContact OG1-OD2 2.82Å; T172-R278 PolarHBondContact O-NH1 3.13Å
173V91.8Very high86.1Confident4 Ų439 Ų392%0.02421%0.206CC..SBendtrans-126.6162.9-175.4-63.10000111.1F19 S73 R75 S175 D176F19-V173 VanDerWaalsContact CE2-C 3.45Å; F19-V173 VanDerWaalsContact CZ-C 3.47Å; S73-V173 WeakPolarHBondContact O-CB 3.25Å; S73-V173 WeakPolarHBondContact O-CG1 3.37Å; S73-V173 WeakPolarHBondContact O-CG2 3.48Å; R75-V173 HydrophobicContact CB-CG2 3.79Å; V173-S175 VanDerWaalsContact C-N 3.26Å; V173-S175 VanDerWaalsContact CG2-OG 3.26Å; V173-S175 WeakPolarHBondContact CG2-OG 3.39Å; V173-S175 PolarHBondContact O-N 3.26Å; V173-D176 HydrophobicContact CG2-CB 4.49Å; V173-D176 PolarHBondContact N-OD2 2.99Å; V173-D176 VanDerWaalsContact N-OD2 3.07Å; V173-D176 WeakPolarHBondContact O-CB 3.43Å; V173-D176 PolarHBondContact O-N 3.11Å
174W93.4Very high87.2Confident3 Ų336.5 Ų36.51%0.01120%0.199CC..G310 helixtrans-64.1-29.9-177.159-96.4000113.3H15 N18 F19 D69 L74 L77 D176 F177 L178 L182H15-W174 AromaticContact CE1-CD1 3.62Å; H15-W174 AromaticContact ND1-CD1 3.6Å; N18-W174 HydrophobicContact CB-CB 4.03Å; N18-W174 HydrophobicContact CB-CD2 3.74Å; N18-W174 HydrophobicContact CB-CG 3.48Å; N18-W174 VanDerWaalsContact CB-CG 3.48Å; N18-W174 PolarHBondContact ND2-NE1 3.45Å; F19-W174 HydrophobicContact CB-CB 4.5Å; F19-W174 HydrophobicContact CD2-CB 3.69Å; F19-W174 HydrophobicContact CE2-CB 4.1Å; F19-W174 HydrophobicContact CG-CB 4.09Å; D69-W174 VanDerWaalsContact OD2-CD1 3.3Å; D69-W174 PolarHBondContact OD2-NE1 2.91Å; L74-W174 HydrophobicContact CD2-CH2 3.72Å; L74-W174 HydrophobicContact CD2-CZ2 3.3Å; L77-W174 HydrophobicContact CD2-CH2 3.82Å; L77-W174 HydrophobicContact CD2-CZ3 3.87Å; W174-D176 PolarHBondContact O-N 2.83Å; W174-F177 WeakPolarHBondContact O-CD1 3.49Å; W174-F177 WeakPolarHBondContact O-CE1 3.5Å; W174-L178 HydrophobicContact CZ3-CD2 4.15Å; W174-L182 HydrophobicContact CZ3-CD1 4.48Å
175S92.4Very high88.3Confident4 Ų436.1 Ų36.13%0.02819%0.19CC..G310 helixtrans-70.4-16.3178.661.70000113.8L74 V173 F177 L178L74-S175 WeakPolarHBondContact O-CB 3.05Å; L74-S175 PolarHBondContact O-OG 3.47Å; V173-S175 VanDerWaalsContact C-N 3.26Å; V173-S175 VanDerWaalsContact CG2-OG 3.26Å; V173-S175 WeakPolarHBondContact CG2-OG 3.39Å; V173-S175 PolarHBondContact O-N 3.26Å; S175-F177 PolarHBondContact O-N 2.97Å; S175-F177 VanDerWaalsContact O-N 3.14Å; S175-L178 PolarHBondContact O-N 2.62Å
176D91.5Very high88.9Confident1 Ų135 Ų351%0.00519%0.185CC..G310 helixtrans-65-19-177.4-74.3-29.7000112.7R75 N111 V171 T172 V173 W174R75-D176 IonicContact NH1-OD1 3.95Å; R75-D176 IonicContact NH1-OD2 2.81Å; N111-D176 PolarHBondContact ND2-O 3.34Å; V171-D176 HydrophobicContact CG1-CB 4.48Å; V171-D176 HydrophobicContact CG2-CB 4.14Å; T172-D176 PolarHBondContact N-OD2 2.64Å; T172-D176 PolarHBondContact OG1-OD2 2.82Å; V173-D176 HydrophobicContact CG2-CB 4.49Å; V173-D176 PolarHBondContact N-OD2 2.99Å; V173-D176 VanDerWaalsContact N-OD2 3.07Å; V173-D176 WeakPolarHBondContact O-CB 3.43Å; V173-D176 PolarHBondContact O-N 3.11Å; W174-D176 PolarHBondContact O-N 2.83Å
177F92.1Very high89.5Confident0 Ų024.7 Ų24.70%015%0.147CC..G310 helixtrans-131.914.2-178.364.7-87.6000112.9F19 T22 H23 N26 L167 V171 W174 S175 R179 Y336 P486F19-F177 AromaticContact CD1-CE1 3.62Å; F19-F177 HydrophobicContact CD1-CE1 3.62Å; F19-F177 AromaticContact CD1-CZ 3.72Å; F19-F177 HydrophobicContact CD1-CZ 3.72Å; F19-F177 AromaticContact CE1-CE1 3.56Å; F19-F177 HydrophobicContact CE1-CE1 3.56Å; F19-F177 HydrophobicContact CE1-CZ 4.16Å; F19-F177 HydrophobicContact CG-CE1 4.39Å; F19-F177 HydrophobicContact CG-CZ 4.33Å; F19-F177 HydrophobicContact CZ-CE1 4.28Å; T22-F177 HydrophobicContact CG2-CD2 3.56Å; T22-F177 HydrophobicContact CG2-CE2 3.3Å; T22-F177 HydrophobicContact CG2-CG 4.36Å; T22-F177 HydrophobicContact CG2-CZ 3.92Å; H23-F177 AromaticContact CD2-CE2 3.43Å; H23-F177 VanDerWaalsContact CD2-CE2 3.43Å; H23-F177 WeakPolarHBondContact CD2-CE2 3.41Å; H23-F177 AromaticContact CD2-CZ 3.68Å; H23-F177 AromaticContact CE1-CD2 3.95Å; H23-F177 AromaticContact CE1-CE2 3.59Å; H23-F177 AromaticContact CG-CE2 3.75Å; H23-F177 AromaticContact ND1-CE2 3.85Å; H23-F177 AromaticContact NE2-CE2 3.33Å; H23-F177 VanDerWaalsContact NE2-CE2 3.33Å; H23-F177 WeakPolarHBondContact NE2-CE2 3.18Å; H23-F177 AromaticContact NE2-CZ 3.54Å; N26-F177 PolarHBondContact ND2-O 3.12Å; L167-F177 HydrophobicContact CD1-CB 4.1Å; V171-F177 HydrophobicContact CG1-CD1 3.76Å; V171-F177 HydrophobicContact CG1-CE1 3.91Å; V171-F177 HydrophobicContact CG2-CD1 4.11Å; W174-F177 WeakPolarHBondContact O-CD1 3.49Å; W174-F177 WeakPolarHBondContact O-CE1 3.5Å; S175-F177 PolarHBondContact O-N 2.97Å; S175-F177 VanDerWaalsContact O-N 3.14Å; F177-R179 PolarHBondContact O-N 3.19Å; F177-Y336 HydrophobicContact CB-CE2 4.04Å; F177-Y336 AromaticContact CD1-CD2 3.9Å; F177-Y336 HydrophobicContact CD1-CD2 3.9Å; F177-Y336 AromaticContact CD1-CE2 3.83Å; F177-Y336 HydrophobicContact CD1-CE2 3.83Å; F177-Y336 HydrophobicContact CD2-CD2 4.41Å; F177-Y336 AromaticContact CD2-CE2 3.83Å; F177-Y336 HydrophobicContact CD2-CE2 3.83Å; F177-Y336 AromaticContact CE1-CD2 3.9Å; F177-Y336 HydrophobicContact CE1-CD2 3.9Å; F177-Y336 HydrophobicContact CE1-CE2 4.21Å; F177-Y336 HydrophobicContact CE2-CD2 4.41Å; F177-Y336 HydrophobicContact CE2-CE2 4.2Å; F177-Y336 HydrophobicContact CG-CD2 4.16Å; F177-Y336 AromaticContact CG-CE2 3.62Å; F177-Y336 HydrophobicContact CG-CE2 3.62Å; F177-Y336 HydrophobicContact CZ-CD2 4.17Å; F177-Y336 HydrophobicContact CZ-CE2 4.39Å; F177-P486 HydrophobicContact CB-CG 3.79Å
178L91.9Very high89.8Confident11 Ų1124.7 Ų24.76%0.05815%0.147CC..  trans-70.7126.4173.1178.869.5000109.6T22 L77 W174 S175 L180 L182T22-L178 HydrophobicContact CG2-CB 3.82Å; T22-L178 HydrophobicContact CG2-CD1 3.82Å; T22-L178 HydrophobicContact CG2-CG 4.45Å; L77-L178 HydrophobicContact CD1-CD2 4.33Å; L77-L178 HydrophobicContact CD2-CD2 3.84Å; W174-L178 HydrophobicContact CZ3-CD2 4.15Å; S175-L178 PolarHBondContact O-N 2.62Å; L178-L180 HydrophobicContact CD1-CB 4.24Å; L178-L182 HydrophobicContact CD2-CD1 3.86Å; L178-L182 HydrophobicContact CD2-CD2 4.38Å; L178-L182 HydrophobicContact CD2-CG 3.95Å
179R87.7Confident90.2Very high4 Ų422 Ų222%0.01514%0.135CC..  trans-94.4-32.6177.6178170.7150.4-177.9-14.5113.2N26 D29 F113 L117 N155 F177 T484N26-R179 WeakPolarHBondContact OD1-CB 3.45Å; N26-R179 PolarHBondContact OD1-N 3.17Å; N26-R179 VanDerWaalsContact OD1-N 3.11Å; D29-R179 IonicContact OD2-CZ 3.03Å; D29-R179 IonicContact OD2-NE 2.87Å; D29-R179 PolarHBondContact OD2-NE 3.36Å; D29-R179 IonicContact OD2-NH2 2.97Å; D29-R179 PolarHBondContact OD2-NH2 2.73Å; F113-R179 HydrophobicContact CZ-CB 4.22Å; L117-R179 HydrophobicContact CD1-CG 4.49Å; N155-R179 PolarHBondContact OD1-NH2 3.26Å; F177-R179 PolarHBondContact O-N 3.19Å; R179-T484 VanDerWaalsContact NH1-CB 3.31Å; R179-T484 PolarHBondContact NH1-OG1 3.28Å
180L86.8Confident90.6Very high12 Ų1218.3 Ų18.36%0.06310%0.096CC..SBendtrans-77143.6-173.1-75.9154.2000111.9W25 D29 F49 L178W25-L180 HydrophobicContact CB-CD1 3.55Å; W25-L180 HydrophobicContact CG-CD1 4.41Å; W25-L180 WeakPolarHBondContact O-CD1 3.45Å; D29-L180 HydrophobicContact CB-CD1 4.07Å; D29-L180 HydrophobicContact CB-CD2 3.77Å; D29-L180 HydrophobicContact CB-CG 3.9Å; D29-L180 VanDerWaalsContact OD1-CD2 3.29Å; D29-L180 WeakPolarHBondContact OD1-CD2 3.3Å; F49-L180 HydrophobicContact CE1-CD1 4.36Å; F49-L180 HydrophobicContact CE1-CD2 3.85Å; F49-L180 HydrophobicContact CZ-CD1 4.44Å; F49-L180 HydrophobicContact CZ-CD2 4.29Å; L178-L180 HydrophobicContact CD1-CB 4.24Å
181H86.7Confident90.7Very high54 Ų5421.9 Ų21.925%0.2511%0.108CC..PPolyproline II helixtrans-78.9128.5163.2-56.799.6000109.8S82 L83 D121S82-H181 PolarHBondContact OG-CD2 2.81Å; L83-H181 HydrophobicContact CD1-CB 3.58Å; L83-H181 HydrophobicContact CD2-CB 3.64Å; L83-H181 HydrophobicContact CG-CB 3.56Å; D121-H181 IonicContact OD1-CE1 3.42Å; D121-H181 PolarHBondContact OD1-CE1 3.03Å; D121-H181 IonicContact OD1-NE2 3.82Å; D121-H181 IonicContact OD2-CE1 2.78Å; D121-H181 IonicContact OD2-NE2 3.95Å; D121-H181 PolarHBondContact OD2-NE2 3.14Å
182L90.3Very high90.5Very high6 Ų627.1 Ų27.13%0.03113%0.132CC..PPolyproline II helixtrans-92.5152.6179.6-57.8-177.3000111.3P63 L65 L77 W174 L178 V187P63-L182 HydrophobicContact CG-CD2 3.6Å; L65-L182 HydrophobicContact CD2-CD2 4.16Å; L77-L182 HydrophobicContact CD2-CD1 4.13Å; W174-L182 HydrophobicContact CZ3-CD1 4.48Å; L178-L182 HydrophobicContact CD2-CD1 3.86Å; L178-L182 HydrophobicContact CD2-CD2 4.38Å; L178-L182 HydrophobicContact CD2-CG 3.95Å; L182-V187 HydrophobicContact CD1-CG2 3.55Å
183H91Very high90.6Very high18 Ų1825.4 Ų25.48%0.08312%0.12CC..PPolyproline II helixtrans-70.8149.1170.6-173.6-100000110R50 Y84 R185 S186 F226R50-H183 PolarHBondContact NH1-CD2 2.83Å; R50-H183 PolarHBondContact NH1-NE2 3.4Å; Y84-H183 AromaticContact CE2-CD2 3.59Å; H183-R185 WeakPolarHBondContact ND1-CB 3.31Å; H183-R185 PolarHBondContact ND1-N 2.71Å; H183-R185 VanDerWaalsContact ND1-N 3.17Å; H183-R185 PolarHBondContact O-N 2.78Å; H183-S186 VanDerWaalsContact O-CB 3.27Å; H183-S186 WeakPolarHBondContact O-CB 3.37Å; H183-S186 PolarHBondContact O-N 3.45Å; H183-F226 AromaticContact CE1-CE1 3.38Å; H183-F226 WeakPolarHBondContact CE1-CE1 3.43Å; H183-F226 AromaticContact CE1-CZ 3.35Å; H183-F226 WeakPolarHBondContact CE1-CZ 3.27Å; H183-F226 AromaticContact ND1-CE1 3.82Å; H183-F226 AromaticContact NE2-CE1 3.97Å; H183-F226 AromaticContact NE2-CZ 3.65Å
184P88.8Confident90.3Very high41 Ų4127.9 Ų27.927%0.26613%0.132SC..THydrogen-bonded Turntrans-58.6-24.8179.6-23.430.5000114.1E80 Y84 S186E80-P184 VanDerWaalsContact O-CA 3.3Å; E80-P184 WeakPolarHBondContact O-CA 3.35Å; E80-P184 VanDerWaalsContact O-CB 3.25Å; E80-P184 WeakPolarHBondContact O-CB 3.43Å; E80-P184 VanDerWaalsContact O-CG 3.23Å; E80-P184 WeakPolarHBondContact O-CG 3.45Å; Y84-P184 VanDerWaalsContact CD2-CD 3.44Å; Y84-P184 HydrophobicContact CD2-CG 3.63Å; Y84-P184 HydrophobicContact CE2-CG 4.37Å; Y84-P184 HydrophobicContact CG-CG 4.4Å; P184-S186 VanDerWaalsContact C-N 3.34Å
185R91.5Very high89.8Confident103 Ų10329.2 Ų29.239%0.38914%0.139SC..THydrogen-bonded Turntrans-86.61.3175.5-64.1-174178.7-1383.9114H183 D222 R223 F226 F227H183-R185 WeakPolarHBondContact ND1-CB 3.31Å; H183-R185 PolarHBondContact ND1-N 2.71Å; H183-R185 VanDerWaalsContact ND1-N 3.17Å; H183-R185 PolarHBondContact O-N 2.78Å; R185-D222 PolarHBondContact NH1-O 3.02Å; R185-R223 HydrophobicContact CB-CG 4.13Å; R185-R223 WeakPolarHBondContact O-CD 3.21Å; R185-R223 PolarHBondContact O-NE 3.34Å; R185-F226 HydrophobicContact CB-CD1 4.42Å; R185-F227 HydrophobicContact CB-CE2 4.37Å; R185-F227 HydrophobicContact CB-CZ 4.44Å
186S93.1Very high89Confident0 Ų034.7 Ų34.70%017%0.168CC..SBendtrans-85.6-26.6-176-68.70000114.4L65 I66 A67 H183 P184L65-S186 WeakPolarHBondContact O-CA 3.48Å; L65-S186 WeakPolarHBondContact O-CB 3.47Å; L65-S186 PolarHBondContact O-OG 3.44Å; I66-S186 CarbonylContact C-O 3.59Å; I66-S186 WeakPolarHBondContact CA-O 3.28Å; A67-S186 PolarHBondContact N-O 2.9Å; H183-S186 VanDerWaalsContact O-CB 3.27Å; H183-S186 WeakPolarHBondContact O-CB 3.37Å; H183-S186 PolarHBondContact O-N 3.45Å; P184-S186 VanDerWaalsContact C-N 3.34Å
187V94.1Very high88Confident3 Ų335.6 Ų35.62%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-109.7127.6-174.8-177.70000110.4L74 Q79 L182 V189 R223L74-V187 HydrophobicContact CD1-CG1 3.77Å; L74-V187 HydrophobicContact CD2-CG1 3.72Å; L74-V187 HydrophobicContact CG-CG1 4.35Å; Q79-V187 HydrophobicContact CG-CG1 4.41Å; L182-V187 HydrophobicContact CD1-CG2 3.55Å; V187-V189 HydrophobicContact CG1-CG2 4.25Å; V187-R223 PolarHBondContact O-NH2 3.38Å
188V93.4Very high86.8Confident0 Ų044.6 Ų44.60%022%0.219CC..EExtended strand (participates in β ladder)trans-118124.7174.9-167.40000108.5I66 A67 M68 D69 L216 R223I66-V188 HydrophobicContact CG2-CG2 3.77Å; A67-V188 PolarHBondContact O-N 3.3Å; M68-V188 WeakPolarHBondContact CA-O 3.05Å; M68-V188 HydrophobicContact CE-CG2 4.36Å; M68-V188 HydrophobicContact CG-CB 4.01Å; M68-V188 HydrophobicContact CG-CG2 4.21Å; D69-V188 PolarHBondContact N-O 3.35Å; D69-V188 VanDerWaalsContact N-O 3.14Å; V188-L216 HydrophobicContact CG1-CD1 3.62Å; V188-R223 VanDerWaalsContact CG1-NH1 3.34Å
189V92.1Very high85.6Confident12 Ų1246.9 Ų46.97%0.07324%0.24CC..EExtended strand (participates in β ladder)trans-108.1119.1179.1-178.10000109.6D69 K71 L74 Q79 V187 H191D69-V189 CarbonylContact O-C 3.58Å; D69-V189 WeakPolarHBondContact O-CA 3.26Å; K71-V189 HydrophobicContact CB-CG1 4.29Å; L74-V189 HydrophobicContact CD1-CG2 3.61Å; L74-V189 HydrophobicContact CG-CG2 4.23Å; Q79-V189 HydrophobicContact CG-CG2 4.12Å; V187-V189 HydrophobicContact CG1-CG2 4.25Å; V189-H191 PolarHBondContact O-CD2 2.99Å; V189-H191 PolarHBondContact O-N 2.59Å
190I91.9Very high85.1Confident3 Ų353.2 Ų53.22%0.01527%0.27CS..EExtended strand (participates in β ladder)trans-79.9104.1174.6-55.3174000107.9D69 L70 K71 Q192 F193 T211 L216 F247 L250D69-I190 PolarHBondContact O-N 3.42Å; L70-I190 HydrophobicContact CD2-CB 4.07Å; L70-I190 HydrophobicContact CD2-CD1 4.37Å; L70-I190 HydrophobicContact CD2-CG2 4.41Å; K71-I190 PolarHBondContact N-O 3.13Å; I190-Q192 VanDerWaalsContact C-N 3.32Å; I190-Q192 HydrophobicContact CG2-CB 4.37Å; I190-Q192 PolarHBondContact O-N 3.44Å; I190-F193 HydrophobicContact CG2-CD2 4.06Å; I190-T211 HydrophobicContact CD1-CG2 4.13Å; I190-T211 HydrophobicContact CG2-CG2 3.69Å; I190-L216 HydrophobicContact CD1-CD2 4.36Å; I190-L216 HydrophobicContact CG1-CD2 4.14Å; I190-F247 HydrophobicContact CD1-CE1 4.07Å; I190-L250 HydrophobicContact CD1-CD2 3.64Å
191H87.1Confident85Confident117 Ų11755 Ų5554%0.54228%0.276SS..EExtended strand (participates in β ladder)trans-79-12.2-175-67.4-63.2000114.8V189 F193V189-H191 PolarHBondContact O-CD2 2.99Å; V189-H191 PolarHBondContact O-N 2.59Å; H191-F193 VanDerWaalsContact C-N 3.31Å; H191-F193 PolarHBondContact O-N 3.13Å
192Q86.4Confident85.1Confident119 Ų11952.9 Ų52.956%0.55627%0.266SS*.EExtended strand (participates in β ladder)trans-70.8-27.1-177.6-58.6-178.53000112.8I190I190-Q192 VanDerWaalsContact C-N 3.32Å; I190-Q192 HydrophobicContact CG2-CB 4.37Å; I190-Q192 PolarHBondContact O-N 3.44Å
193F88.4Confident85.1Confident19 Ų1955.1 Ų55.18%0.08328%0.276CS..EExtended strand (participates in β ladder)trans-125.3154.4-177-54.9-85.2000111.3L70 K71 I190 H191 H200 L202 Q207 T211L70-F193 HydrophobicContact CD1-CB 4.03Å; L70-F193 HydrophobicContact CD2-CB 3.96Å; L70-F193 HydrophobicContact CG-CB 4.49Å; K71-F193 WeakPolarHBondContact CB-O 3.4Å; K71-F193 PolarHBondContact N-O 3.07Å; I190-F193 HydrophobicContact CG2-CD2 4.06Å; H191-F193 VanDerWaalsContact C-N 3.31Å; H191-F193 PolarHBondContact O-N 3.13Å; F193-H200 CarbonylContact C-O 3.57Å; F193-H200 WeakPolarHBondContact CA-O 3.24Å; F193-H200 WeakPolarHBondContact CB-O 3.45Å; F193-L202 HydrophobicContact CB-CB 4.18Å; F193-L202 HydrophobicContact CD1-CB 4.2Å; F193-L202 HydrophobicContact CD2-CB 4.25Å; F193-L202 HydrophobicContact CD2-CD1 4.14Å; F193-L202 HydrophobicContact CE1-CD1 4.36Å; F193-L202 HydrophobicContact CE2-CD1 3.9Å; F193-L202 HydrophobicContact CG-CB 3.96Å; F193-L202 HydrophobicContact CZ-CD1 4.01Å; F193-Q207 HydrophobicContact CE1-CG 4.47Å; F193-Q207 HydrophobicContact CZ-CB 4.18Å; F193-Q207 HydrophobicContact CZ-CG 4.42Å; F193-T211 WeakPolarHBondContact CE2-OG1 3.45Å
194N86.4Confident85.1Confident55 Ų5554.5 Ų54.529%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-107141.3178.7-63.1-56.2000110.9H200N194-H200 PolarHBondContact N-O 3.49Å
195H80.9Confident85.3Confident31 Ų3152.7 Ų52.714%0.14426%0.261CS..SBendtrans-66.3-56.1175.5-177.162.7000112.2H15 L70 K71H15-H195 AromaticContact CD2-CE1 3.28Å; H15-H195 PolarHBondContact CD2-CE1 3.1Å; H15-H195 AromaticContact CD2-NE2 3.85Å; H15-H195 AromaticContact CE1-CE1 3.26Å; H15-H195 PolarHBondContact CE1-CE1 3.16Å; H15-H195 AromaticContact CE1-ND1 3.89Å; H15-H195 AromaticContact CE1-NE2 3.41Å; H15-H195 PolarHBondContact CE1-NE2 2.91Å; H15-H195 AromaticContact CG-CE1 3.23Å; H15-H195 AromaticContact CG-ND1 3.78Å; H15-H195 AromaticContact ND1-CE1 3.27Å; H15-H195 PolarHBondContact ND1-CE1 3.23Å; H15-H195 VanDerWaalsContact ND1-CE1 3.27Å; H15-H195 AromaticContact ND1-ND1 3.6Å; H15-H195 AromaticContact ND1-NE2 3.89Å; H15-H195 AromaticContact NE2-CE1 3.27Å; H15-H195 PolarHBondContact NE2-CE1 2.9Å; H15-H195 VanDerWaalsContact NE2-CE1 3.27Å; H15-H195 AromaticContact NE2-NE2 3.37Å; H15-H195 PolarHBondContact NE2-NE2 3.36Å; L70-H195 HydrophobicContact CB-CB 4.26Å; K71-H195 PolarHBondContact O-N 3.38Å
196D76.3Confident85.3Confident119 Ų11948 Ų4864%0.63625%0.245SC*.SBendtrans-101.96.1-176.2-66.1-45.5000114
197G70.1Confident85.2Confident20 Ų2049.2 Ų49.221%0.20625%0.251CS..  trans-74.8138.7-17500000112.4A199 R201G197-A199 PolarHBondContact O-N 3.29Å; G197-R201 VanDerWaalsContact O-CG 3.24Å; G197-R201 WeakPolarHBondContact O-CG 3.47Å; G197-R201 PolarHBondContact O-NE 2.79Å; G197-R201 PolarHBondContact O-NH2 2.76Å
198E67.3Low85.1Confident189 Ų18949.1 Ų49.188%0.88325%0.25SS*.SBendtrans-66-22.2172.5-66.2-174.616700112.9
199A66.5Low85.1Confident60 Ų6051 Ų5150%0.49626%0.259SS..SBendtrans-122.2156.6176.800000111.1G197G197-A199 PolarHBondContact O-N 3.29Å
200H77.3Confident85Confident137 Ų13753.1 Ų53.163%0.63427%0.274SS*.SBendtrans58.950-178.4-54.3-77.9000113.2F193 N194F193-H200 CarbonylContact C-O 3.57Å; F193-H200 WeakPolarHBondContact CA-O 3.24Å; F193-H200 WeakPolarHBondContact CB-O 3.45Å; N194-H200 PolarHBondContact N-O 3.49Å
201R84.9Confident84.9Confident50 Ų5053 Ų5319%0.18927%0.274CS..  trans-88.6149.4169.2-66-175.1-174.9-153-7.7110.1G197 E203 Q207 D279 R284G197-R201 VanDerWaalsContact O-CG 3.24Å; G197-R201 WeakPolarHBondContact O-CG 3.47Å; G197-R201 PolarHBondContact O-NE 2.79Å; G197-R201 PolarHBondContact O-NH2 2.76Å; R201-E203 HydrophobicContact CB-CG 3.72Å; R201-E203 PolarHBondContact O-N 3.09Å; R201-Q207 PolarHBondContact O-OE1 2.98Å; R201-D279 IonicContact CZ-OD2 3.28Å; R201-D279 IonicContact NH1-OD2 3.05Å; R201-D279 PolarHBondContact NH1-OD2 3.09Å; R201-D279 IonicContact NH2-OD2 3.11Å; R201-D279 PolarHBondContact NH2-OD2 2.76Å; R201-R284 VanDerWaalsContact NH1-NH1 3.19Å
202L89.6Confident85Confident8 Ų848 Ų484%0.04225%0.251CS..  trans-85.186.6173.2-177.861.3000109.1L70 F193 Q207 G246 F247L70-L202 HydrophobicContact CD1-CB 3.95Å; L70-L202 HydrophobicContact CD2-CB 4.24Å; L70-L202 HydrophobicContact CD2-CD2 3.99Å; F193-L202 HydrophobicContact CB-CB 4.18Å; F193-L202 HydrophobicContact CD1-CB 4.2Å; F193-L202 HydrophobicContact CD2-CB 4.25Å; F193-L202 HydrophobicContact CD2-CD1 4.14Å; F193-L202 HydrophobicContact CE1-CD1 4.36Å; F193-L202 HydrophobicContact CE2-CD1 3.9Å; F193-L202 HydrophobicContact CG-CB 3.96Å; F193-L202 HydrophobicContact CZ-CD1 4.01Å; L202-Q207 HydrophobicContact CD1-CB 3.61Å; L202-G246 PolarHBondContact O-N 2.89Å; L202-F247 HydrophobicContact CD2-CD1 4.16Å; L202-F247 HydrophobicContact CD2-CD2 3.9Å; L202-F247 HydrophobicContact CD2-CE1 4.16Å; L202-F247 HydrophobicContact CD2-CE2 3.9Å; L202-F247 HydrophobicContact CD2-CG 4.04Å; L202-F247 HydrophobicContact CD2-CZ 4.03Å
203E88.9Confident85.1Confident54 Ų5448.4 Ų48.425%0.25225%0.253SS..  trans-106.9-27.4-170.5-68.1-173155.500113.9R201 R284 Y287 N291R201-E203 HydrophobicContact CB-CG 3.72Å; R201-E203 PolarHBondContact O-N 3.09Å; E203-R284 IonicContact OE1-CZ 2.74Å; E203-R284 VanDerWaalsContact OE1-CZ 3.22Å; E203-R284 IonicContact OE1-NE 3.24Å; E203-R284 PolarHBondContact OE1-NE 3.21Å; E203-R284 IonicContact OE1-NH2 3.46Å; E203-R284 PolarHBondContact OE1-NH2 2.92Å; E203-Y287 HydrophobicContact CB-CD2 4.14Å; E203-N291 PolarHBondContact O-ND2 3.06Å
204T91.6Very high85.2Confident4 Ų449.7 Ų49.73%0.02527%0.271CS..SBendtrans-113.2151.9-170.9690000112.1G206 Q207 G208 G246 Y287 F555T204-G206 PolarHBondContact O-N 3.48Å; T204-Q207 WeakPolarHBondContact O-CB 3.44Å; T204-Q207 PolarHBondContact O-N 3.18Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.43Å; T204-G208 PolarHBondContact O-N 3.29Å; T204-G246 WeakPolarHBondContact O-CA 3.33Å; T204-Y287 HydrophobicContact CG2-CD2 4.4Å; T204-Y287 HydrophobicContact CG2-CE2 4.3Å; T204-F555 HydrophobicContact CG2-CD2 3.87Å; T204-F555 HydrophobicContact CG2-CE2 4.49Å; T204-F555 HydrophobicContact CG2-CG 4.48Å
205F93.1Very high85.4Confident3 Ų350.8 Ų50.81%0.01329%0.288CS..Hα-helixtrans-54.7-53.2-179-171-93.4000112.8Q207 G208 E209 A248 G249 S252 N291 L294 N298 F555F205-Q207 VanDerWaalsContact C-N 3.29Å; F205-Q207 PolarHBondContact O-N 2.69Å; F205-G208 WeakPolarHBondContact O-CA 3.46Å; F205-G208 PolarHBondContact O-N 3.14Å; F205-E209 HydrophobicContact CD1-CG 3.98Å; F205-E209 WeakPolarHBondContact CD1-OE2 3.44Å; F205-E209 HydrophobicContact CE1-CG 3.71Å; F205-E209 WeakPolarHBondContact CE1-OE2 3.19Å; F205-E209 HydrophobicContact CZ-CG 4.42Å; F205-E209 PolarHBondContact O-N 3.08Å; F205-E209 VanDerWaalsContact O-N 3.14Å; F205-A248 HydrophobicContact CD2-CB 4.04Å; F205-A248 HydrophobicContact CE2-CB 4.29Å; F205-A248 WeakPolarHBondContact CE2-O 3.37Å; F205-G249 VanDerWaalsContact CE2-CA 3.41Å; F205-G249 WeakPolarHBondContact O-CA 3.42Å; F205-S252 WeakPolarHBondContact CE2-OG 3.4Å; F205-S252 WeakPolarHBondContact CZ-OG 3.21Å; F205-N291 WeakPolarHBondContact CB-OD1 3.5Å; F205-N291 PolarHBondContact N-OD1 3.3Å; F205-L294 HydrophobicContact CB-CD1 3.92Å; F205-L294 HydrophobicContact CD1-CB 4.3Å; F205-L294 HydrophobicContact CD1-CD1 3.95Å; F205-L294 HydrophobicContact CD2-CB 3.65Å; F205-L294 HydrophobicContact CD2-CD1 4.31Å; F205-L294 HydrophobicContact CE1-CB 4.31Å; F205-L294 HydrophobicContact CE2-CB 3.68Å; F205-L294 HydrophobicContact CG-CB 3.98Å; F205-L294 HydrophobicContact CG-CD1 3.8Å; F205-L294 HydrophobicContact CZ-CB 4.03Å; F205-N298 HydrophobicContact CZ-CB 4.47Å; F205-N298 VanDerWaalsContact CZ-ND2 3.26Å; F205-N298 WeakPolarHBondContact CZ-ND2 3.47Å; F205-F555 HydrophobicContact CB-CZ 3.95Å
206G91.8Very high85.9Confident4 Ų450 Ų504%0.04129%0.285CS..Hα-helixtrans-70.5-19.8-177.300000114.8T204 G208 E209 S210 Q558T204-G206 PolarHBondContact O-N 3.48Å; G206-G208 VanDerWaalsContact C-N 3.29Å; G206-E209 PolarHBondContact O-N 2.91Å; G206-S210 WeakPolarHBondContact O-CB 3.24Å; G206-S210 PolarHBondContact O-N 3.3Å; G206-S210 PolarHBondContact O-OG 2.87Å; G206-Q558 CarbonylContact C-O 3.57Å; G206-Q558 WeakPolarHBondContact CA-O 3.39Å
207Q91.8Very high86.8Confident27 Ų2746.5 Ų46.513%0.12627%0.266CS..Hα-helixtrans-60.9-44.1166.5-78.1169.2-0.900109.9F193 R201 L202 T204 F205 S210 T211 Q558F193-Q207 HydrophobicContact CE1-CG 4.47Å; F193-Q207 HydrophobicContact CZ-CB 4.18Å; F193-Q207 HydrophobicContact CZ-CG 4.42Å; R201-Q207 PolarHBondContact O-OE1 2.98Å; L202-Q207 HydrophobicContact CD1-CB 3.61Å; T204-Q207 WeakPolarHBondContact O-CB 3.44Å; T204-Q207 PolarHBondContact O-N 3.18Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.43Å; F205-Q207 VanDerWaalsContact C-N 3.29Å; F205-Q207 PolarHBondContact O-N 2.69Å; Q207-S210 PolarHBondContact O-OG 2.98Å; Q207-T211 WeakPolarHBondContact O-CB 3.26Å; Q207-T211 PolarHBondContact O-N 3.38Å; Q207-T211 PolarHBondContact O-OG1 2.97Å; Q207-Q558 HydrophobicContact CG-CB 4.09Å; Q207-Q558 VanDerWaalsContact CG-OE1 3.22Å; Q207-Q558 PolarHBondContact N-O 3.48Å
208G91.8Very high87.9Confident0 Ų049.8 Ų49.80%028%0.279CS..Hα-helixtrans-60.1-46.4174.500000113.1T204 F205 G206 S210 T211 G246T204-G208 PolarHBondContact O-N 3.29Å; F205-G208 WeakPolarHBondContact O-CA 3.46Å; F205-G208 PolarHBondContact O-N 3.14Å; G206-G208 VanDerWaalsContact C-N 3.29Å; G208-S210 PolarHBondContact O-N 3Å; G208-T211 WeakPolarHBondContact O-CB 3.34Å; G208-T211 PolarHBondContact O-N 2.92Å; G208-G246 WeakPolarHBondContact CA-O 3.3Å
209E91.8Very high89.2Confident41 Ų4144.3 Ų44.319%0.19225%0.253CS..Hα-helixtrans-63.3-43.1179.9-64.1-172100.800112.6F205 G206 T211 K253F205-E209 HydrophobicContact CD1-CG 3.98Å; F205-E209 WeakPolarHBondContact CD1-OE2 3.44Å; F205-E209 HydrophobicContact CE1-CG 3.71Å; F205-E209 WeakPolarHBondContact CE1-OE2 3.19Å; F205-E209 HydrophobicContact CZ-CG 4.42Å; F205-E209 PolarHBondContact O-N 3.08Å; F205-E209 VanDerWaalsContact O-N 3.14Å; G206-E209 PolarHBondContact O-N 2.91Å; E209-T211 PolarHBondContact O-N 3.07Å; E209-K253 HydrophobicContact CB-CG 4.02Å; E209-K253 HydrophobicContact CG-CG 4.07Å; E209-K253 VanDerWaalsContact OE1-CE 3.29Å; E209-K253 WeakPolarHBondContact OE1-CE 3.45Å; E209-K253 IonicContact OE1-NZ 3.95Å
210S90.8Very high90.6Very high55 Ų5541.4 Ų41.439%0.38523%0.229SC..Hα-helixtrans-71.3-19.3177.656.70000113.3G206 Q207 G208G206-S210 WeakPolarHBondContact O-CB 3.24Å; G206-S210 PolarHBondContact O-N 3.3Å; G206-S210 PolarHBondContact O-OG 2.87Å; Q207-S210 PolarHBondContact O-OG 2.98Å; G208-S210 PolarHBondContact O-N 3Å
211T90.6Very high91.4Very high1 Ų137.8 Ų37.81%0.00621%0.212CC..Hα-helixtrans-70.1-35.8178.5-61.70000111.9I190 F193 Q207 G208 E209 Q213 L216I190-T211 HydrophobicContact CD1-CG2 4.13Å; I190-T211 HydrophobicContact CG2-CG2 3.69Å; F193-T211 WeakPolarHBondContact CE2-OG1 3.45Å; Q207-T211 WeakPolarHBondContact O-CB 3.26Å; Q207-T211 PolarHBondContact O-N 3.38Å; Q207-T211 PolarHBondContact O-OG1 2.97Å; G208-T211 WeakPolarHBondContact O-CB 3.34Å; G208-T211 PolarHBondContact O-N 2.92Å; E209-T211 PolarHBondContact O-N 3.07Å; T211-Q213 PolarHBondContact O-N 3.22Å; T211-L216 HydrophobicContact CG2-CD2 3.58Å; T211-L216 WeakPolarHBondContact O-CD2 3.46Å
212L89.3Confident92Very high13 Ų1340.3 Ų40.37%0.06823%0.23CC..SBendtrans-82.563.6-179.5-163.271000112.3L216 L217 L220 L250 K253 V254L212-L216 HydrophobicContact CD1-CG 4.49Å; L212-L217 HydrophobicContact CD2-CD1 4.42Å; L212-L217 HydrophobicContact CG-CD1 4.2Å; L212-L220 HydrophobicContact CD1-CD2 3.81Å; L212-L250 HydrophobicContact CB-CD1 3.7Å; L212-L250 HydrophobicContact CD1-CD1 3.91Å; L212-L250 HydrophobicContact CG-CD1 4.25Å; L212-K253 HydrophobicContact CB-CB 4.2Å; L212-K253 HydrophobicContact CD2-CB 3.59Å; L212-V254 HydrophobicContact CD1-CG2 4.26Å; L212-V254 HydrophobicContact CD2-CG2 3.84Å
213Q88.7Confident92.2Very high127 Ų12741 Ų4159%0.59323%0.232SC*.SBendtrans-143156.9178.9-60.8-176.78.400111.2T211 A215 L216T211-Q213 PolarHBondContact O-N 3.22Å; Q213-A215 PolarHBondContact O-N 3.24Å; Q213-L216 PolarHBondContact O-N 3.32Å
214G90.3Very high92.6Very high46 Ų4638.6 Ų38.647%0.47422%0.221SC..THydrogen-bonded Turntrans54.6-125.7177.600000111.9L216 L217 D218G214-L216 VanDerWaalsContact C-N 3.3Å; G214-L216 PolarHBondContact O-N 3.29Å; G214-L217 WeakPolarHBondContact O-CB 3.35Å; G214-L217 PolarHBondContact O-N 3.46Å; G214-L217 VanDerWaalsContact O-N 3.09Å; G214-D218 PolarHBondContact O-N 3.26Å; G214-D218 VanDerWaalsContact O-N 3.08Å
215A90.4Very high92.8Very high78 Ų7842.2 Ų42.265%0.64524%0.237SC*.Hα-helixtrans-57.1-36.5-172.400000114.5Q213 E219Q213-A215 PolarHBondContact O-N 3.24Å; A215-E219 VanDerWaalsContact O-CB 3.27Å; A215-E219 WeakPolarHBondContact O-CB 3.4Å; A215-E219 PolarHBondContact O-N 3.18Å
216L91.8Very high92.9Very high15 Ų1544.4 Ų44.48%0.07925%0.247CC..Hα-helixtrans-72-35.7-179.3-177.265.7000112V188 I190 T211 L212 Q213 G214 E219 L220V188-L216 HydrophobicContact CG1-CD1 3.62Å; I190-L216 HydrophobicContact CD1-CD2 4.36Å; I190-L216 HydrophobicContact CG1-CD2 4.14Å; T211-L216 HydrophobicContact CG2-CD2 3.58Å; T211-L216 WeakPolarHBondContact O-CD2 3.46Å; L212-L216 HydrophobicContact CD1-CG 4.49Å; Q213-L216 PolarHBondContact O-N 3.32Å; G214-L216 VanDerWaalsContact C-N 3.3Å; G214-L216 PolarHBondContact O-N 3.29Å; L216-E219 PolarHBondContact O-N 2.72Å; L216-L220 WeakPolarHBondContact O-CB 3.37Å; L216-L220 PolarHBondContact O-N 3.49Å
217L94.3Very high93.1Very high45 Ų4544.2 Ų44.224%0.23625%0.245CC..Hα-helixtrans-64.9-49.8175.5175.661.9000109.7L212 G214 E219 L220 E221 L257L212-L217 HydrophobicContact CD2-CD1 4.42Å; L212-L217 HydrophobicContact CG-CD1 4.2Å; G214-L217 WeakPolarHBondContact O-CB 3.35Å; G214-L217 PolarHBondContact O-N 3.46Å; G214-L217 VanDerWaalsContact O-N 3.09Å; L217-E219 VanDerWaalsContact C-N 3.27Å; L217-E219 PolarHBondContact O-N 3.14Å; L217-L220 WeakPolarHBondContact O-CB 3.5Å; L217-L220 PolarHBondContact O-N 3.23Å; L217-E221 HydrophobicContact CD1-CG 4.16Å; L217-E221 WeakPolarHBondContact O-CG 3.24Å; L217-E221 PolarHBondContact O-N 3.47Å; L217-L257 HydrophobicContact CD1-CD1 4.13Å; L217-L257 HydrophobicContact CD1-CD2 3.75Å
218D94.6Very high93.2Very high89 Ų8944.2 Ų44.248%0.47625%0.247SC..Hα-helixtrans-56-44.3176.5-57.4-22000110.8G214 L220 E221 D222G214-D218 PolarHBondContact O-N 3.26Å; G214-D218 VanDerWaalsContact O-N 3.08Å; D218-L220 VanDerWaalsContact C-N 3.32Å; D218-L220 PolarHBondContact O-N 3.06Å; D218-E221 PolarHBondContact O-N 3.13Å; D218-D222 WeakPolarHBondContact O-CB 3.17Å; D218-D222 PolarHBondContact O-N 3.34Å
219E93.9Very high93.3Very high73 Ų7351.8 Ų51.834%0.34128%0.282SS..Hα-helixtrans-67.6-29.5179.3-148.1-165.1152.100113.2A215 L216 L217 R223A215-E219 VanDerWaalsContact O-CB 3.27Å; A215-E219 WeakPolarHBondContact O-CB 3.4Å; A215-E219 PolarHBondContact O-N 3.18Å; L216-E219 PolarHBondContact O-N 2.72Å; L217-E219 VanDerWaalsContact C-N 3.27Å; L217-E219 PolarHBondContact O-N 3.14Å; E219-R223 WeakPolarHBondContact O-CD 3.25Å; E219-R223 VanDerWaalsContact O-CG 3.24Å; E219-R223 WeakPolarHBondContact O-CG 3.44Å; E219-R223 PolarHBondContact O-NH1 3Å; E219-R223 IonicContact OE1-CZ 3.64Å; E219-R223 IonicContact OE1-NH1 3.71Å; E219-R223 PolarHBondContact OE1-NH1 3.18Å; E219-R223 IonicContact OE1-NH2 2.84Å; E219-R223 PolarHBondContact OE1-NH2 3.03Å; E219-R223 IonicContact OE2-NH1 4Å
220L95.1Very high93.3Very high0 Ų052.6 Ų52.60%029%0.286CS..Hα-helixtrans-74.6-48.6173.6173.356.2000110.7L11 I66 M68 L212 L216 L217 D218 D222 R223 L224 V254 L257L11-L220 HydrophobicContact CD2-CD1 4.46Å; I66-L220 HydrophobicContact CD1-CD1 4.16Å; I66-L220 HydrophobicContact CG2-CD1 4.04Å; M68-L220 HydrophobicContact CE-CB 3.88Å; M68-L220 HydrophobicContact CE-CD1 3.29Å; M68-L220 HydrophobicContact CE-CD2 3.66Å; M68-L220 HydrophobicContact CE-CG 3.76Å; L212-L220 HydrophobicContact CD1-CD2 3.81Å; L216-L220 WeakPolarHBondContact O-CB 3.37Å; L216-L220 PolarHBondContact O-N 3.49Å; L217-L220 WeakPolarHBondContact O-CB 3.5Å; L217-L220 PolarHBondContact O-N 3.23Å; D218-L220 VanDerWaalsContact C-N 3.32Å; D218-L220 PolarHBondContact O-N 3.06Å; L220-D222 PolarHBondContact O-N 3.43Å; L220-R223 PolarHBondContact O-N 2.77Å; L220-L224 HydrophobicContact CD1-CD1 3.88Å; L220-L224 HydrophobicContact CD1-CG 3.94Å; L220-L224 HydrophobicContact CD2-CD1 4.4Å; L220-L224 HydrophobicContact CG-CD1 3.82Å; L220-L224 HydrophobicContact CG-CG 4.35Å; L220-L224 WeakPolarHBondContact O-CB 3.41Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.49Å; L220-V254 HydrophobicContact CD2-CG1 4.49Å; L220-V254 HydrophobicContact CD2-CG2 3.92Å; L220-L257 HydrophobicContact CD2-CD2 3.93Å
221E95.6Very high93.4Very high60 Ų6050.8 Ų50.828%0.2827%0.273SS..Hα-helixtrans-58.7-46.7179-72.1-177162.800111L217 D218 R223 L224 H225 L257L217-E221 HydrophobicContact CD1-CG 4.16Å; L217-E221 WeakPolarHBondContact O-CG 3.24Å; L217-E221 PolarHBondContact O-N 3.47Å; D218-E221 PolarHBondContact O-N 3.13Å; E221-R223 PolarHBondContact O-N 3.35Å; E221-L224 PolarHBondContact O-N 3.5Å; E221-L224 VanDerWaalsContact O-N 3.13Å; E221-H225 WeakPolarHBondContact O-CB 3.38Å; E221-H225 PolarHBondContact O-CD2 2.86Å; E221-H225 PolarHBondContact O-N 3.27Å; E221-L257 HydrophobicContact CG-CD2 4.33Å
222D95.8Very high93.5Very high104 Ų10457 Ų5756%0.55631%0.306SS*.Hα-helixtrans-58.4-35.1177.1-84.1-10.3000113.1R185 D218 L220 F226R185-D222 PolarHBondContact NH1-O 3.02Å; D218-D222 WeakPolarHBondContact O-CB 3.17Å; D218-D222 PolarHBondContact O-N 3.34Å; L220-D222 PolarHBondContact O-N 3.43Å; D222-F226 PolarHBondContact O-N 3.43Å
223R95.4Very high93.5Very high22 Ų2263.1 Ų63.18%0.08333%0.33CS..Hα-helixtrans-77.6-39.7176.1-72.5178.4172.3113.10.4112I66 R185 V187 V188 E219 L220 E221 F226 F227I66-R223 HydrophobicContact CD1-CB 3.87Å; I66-R223 HydrophobicContact CG1-CB 4.39Å; R185-R223 HydrophobicContact CB-CG 4.13Å; R185-R223 WeakPolarHBondContact O-CD 3.21Å; R185-R223 PolarHBondContact O-NE 3.34Å; V187-R223 PolarHBondContact O-NH2 3.38Å; V188-R223 VanDerWaalsContact CG1-NH1 3.34Å; E219-R223 WeakPolarHBondContact O-CD 3.25Å; E219-R223 VanDerWaalsContact O-CG 3.24Å; E219-R223 WeakPolarHBondContact O-CG 3.44Å; E219-R223 PolarHBondContact O-NH1 3Å; E219-R223 IonicContact OE1-CZ 3.64Å; E219-R223 IonicContact OE1-NH1 3.71Å; E219-R223 PolarHBondContact OE1-NH1 3.18Å; E219-R223 IonicContact OE1-NH2 2.84Å; E219-R223 PolarHBondContact OE1-NH2 3.03Å; E219-R223 IonicContact OE2-NH1 4Å; L220-R223 PolarHBondContact O-N 2.77Å; E221-R223 PolarHBondContact O-N 3.35Å; R223-F226 WeakPolarHBondContact O-CB 3.22Å; R223-F226 PolarHBondContact O-N 3.42Å; R223-F227 VanDerWaalsContact O-CD2 3.23Å; R223-F227 WeakPolarHBondContact O-CD2 3.33Å; R223-F227 PolarHBondContact O-N 2.81Å
224L96.2Very high93.8Very high3 Ų357.8 Ų57.82%0.01631%0.305CS..Hα-helixtrans-60.9-51.2174.9-79.4169.4000110.2L11 I66 L220 E221 F226 F227 V228 F237 L257 L258L11-L224 HydrophobicContact CD1-CD2 4.29Å; L11-L224 HydrophobicContact CD2-CD2 4.35Å; I66-L224 HydrophobicContact CD1-CB 4.5Å; I66-L224 HydrophobicContact CD1-CD2 3.65Å; I66-L224 HydrophobicContact CD1-CG 3.78Å; L220-L224 HydrophobicContact CD1-CD1 3.88Å; L220-L224 HydrophobicContact CD1-CG 3.94Å; L220-L224 HydrophobicContact CD2-CD1 4.4Å; L220-L224 HydrophobicContact CG-CD1 3.82Å; L220-L224 HydrophobicContact CG-CG 4.35Å; L220-L224 WeakPolarHBondContact O-CB 3.41Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.49Å; E221-L224 PolarHBondContact O-N 3.5Å; E221-L224 VanDerWaalsContact O-N 3.13Å; L224-F226 VanDerWaalsContact C-N 3.27Å; L224-F226 PolarHBondContact O-N 2.91Å; L224-F227 PolarHBondContact O-N 3.43Å; L224-F227 VanDerWaalsContact O-N 3.13Å; L224-V228 WeakPolarHBondContact O-CB 3.28Å; L224-V228 VanDerWaalsContact O-CG2 3.23Å; L224-V228 WeakPolarHBondContact O-CG2 3.29Å; L224-V228 PolarHBondContact O-N 3.03Å; L224-F237 HydrophobicContact CD2-CE1 4.09Å; L224-L257 HydrophobicContact CD1-CD2 4.37Å; L224-L258 HydrophobicContact CD1-CD2 4.15Å; L224-L258 HydrophobicContact CD2-CD2 4.25Å
225H95.6Very high93.9Very high81 Ų8156.2 Ų56.238%0.37529%0.285SS..Hα-helixtrans-54.9-44.5177.3-73.7-51.2000111.7E221 F227 V228 E229E221-H225 WeakPolarHBondContact O-CB 3.38Å; E221-H225 PolarHBondContact O-CD2 2.86Å; E221-H225 PolarHBondContact O-N 3.27Å; H225-F227 PolarHBondContact O-N 3.34Å; H225-V228 PolarHBondContact O-N 3.43Å; H225-E229 VanDerWaalsContact O-CB 3.27Å; H225-E229 WeakPolarHBondContact O-CB 3.5Å; H225-E229 WeakPolarHBondContact O-CG 3.31Å; H225-E229 PolarHBondContact O-N 3.05Å
226F95.3Very high94.2Very high48 Ų4852.5 Ų52.521%0.21125%0.254CS..Hα-helixtrans-55.7-48.9176174.8-93.2000113.5H183 R185 D222 R223 L224H183-F226 AromaticContact CE1-CE1 3.38Å; H183-F226 WeakPolarHBondContact CE1-CE1 3.43Å; H183-F226 AromaticContact CE1-CZ 3.35Å; H183-F226 WeakPolarHBondContact CE1-CZ 3.27Å; H183-F226 AromaticContact ND1-CE1 3.82Å; H183-F226 AromaticContact NE2-CE1 3.97Å; H183-F226 AromaticContact NE2-CZ 3.65Å; R185-F226 HydrophobicContact CB-CD1 4.42Å; D222-F226 PolarHBondContact O-N 3.43Å; R223-F226 WeakPolarHBondContact O-CB 3.22Å; R223-F226 PolarHBondContact O-N 3.42Å; L224-F226 VanDerWaalsContact C-N 3.27Å; L224-F226 PolarHBondContact O-N 2.91Å
227F95.5Very high94.5Very high0 Ų051.8 Ų51.80%025%0.251CS..Hα-helixtrans-74.4-32.6-179.6-71.7-63000112.5I9 L65 I66 R185 R223 L224 H225 C231I9-F227 HydrophobicContact CD1-CB 3.79Å; I9-F227 HydrophobicContact CG1-CB 4.18Å; L65-F227 WeakPolarHBondContact O-CE2 3.5Å; I66-F227 HydrophobicContact CD1-CD2 4.07Å; I66-F227 HydrophobicContact CD1-CE2 4.43Å; I66-F227 HydrophobicContact CG1-CD2 3.84Å; I66-F227 HydrophobicContact CG1-CE2 3.77Å; R185-F227 HydrophobicContact CB-CE2 4.37Å; R185-F227 HydrophobicContact CB-CZ 4.44Å; R223-F227 VanDerWaalsContact O-CD2 3.23Å; R223-F227 WeakPolarHBondContact O-CD2 3.33Å; R223-F227 PolarHBondContact O-N 2.81Å; L224-F227 PolarHBondContact O-N 3.43Å; L224-F227 VanDerWaalsContact O-N 3.13Å; H225-F227 PolarHBondContact O-N 3.34Å; F227-C231 PolarHBondContact O-SG 3.16Å
228V95.3Very high94.7Very high28 Ų2849.6 Ų49.617%0.1724%0.239CC..Hα-helixtrans-69.9-45.6179.2167.70000111.2I9 L224 H225 E230 C231 L234 F237 Y262I9-V228 HydrophobicContact CD1-CB 4.26Å; I9-V228 HydrophobicContact CD1-CG2 3.37Å; L224-V228 WeakPolarHBondContact O-CB 3.28Å; L224-V228 VanDerWaalsContact O-CG2 3.23Å; L224-V228 WeakPolarHBondContact O-CG2 3.29Å; L224-V228 PolarHBondContact O-N 3.03Å; H225-V228 PolarHBondContact O-N 3.43Å; V228-E230 PolarHBondContact O-N 3.49Å; V228-C231 WeakPolarHBondContact O-CB 3.34Å; V228-C231 PolarHBondContact O-N 3.19Å; V228-L234 HydrophobicContact CG1-CD2 4.06Å; V228-L234 HydrophobicContact CG2-CD2 4.02Å; V228-F237 HydrophobicContact CG2-CE1 4.38Å; V228-F237 HydrophobicContact CG2-CZ 4.26Å; V228-Y262 HydrophobicContact CG1-CE1 4Å; V228-Y262 HydrophobicContact CG2-CE1 4.02Å
229E94.2Very high94.8Very high158 Ų15845.4 Ų45.474%0.73822%0.217SC*.Hα-helixtrans-64.2-25.9179.9-72.2172.9-177.100112.6H225 C231H225-E229 VanDerWaalsContact O-CB 3.27Å; H225-E229 WeakPolarHBondContact O-CB 3.5Å; H225-E229 WeakPolarHBondContact O-CG 3.31Å; H225-E229 PolarHBondContact O-N 3.05Å; E229-C231 VanDerWaalsContact C-N 3.35Å
230E91.6Very high95.1Very high59 Ų5942 Ų4228%0.27620%0.201SC..THydrogen-bonded Turntrans-80.4-13.2174.1-171.8178.1-164.800113.3R50 V228R50-E230 WeakPolarHBondContact CD-OE2 3.39Å; R50-E230 IonicContact CZ-OE1 2.64Å; R50-E230 IonicContact CZ-OE2 3.48Å; R50-E230 IonicContact NE-OE1 3.13Å; R50-E230 PolarHBondContact NE-OE1 3.31Å; R50-E230 IonicContact NE-OE2 3.29Å; R50-E230 PolarHBondContact NE-OE2 3.22Å; R50-E230 IonicContact NH1-OE2 3.07Å; R50-E230 VanDerWaalsContact NH2-CD 3.32Å; R50-E230 IonicContact NH2-OE1 3.87Å; R50-E230 PolarHBondContact NH2-OE1 2.94Å; R50-E230 IonicContact NH2-OE2 3.96Å; R50-E230 PolarHBondContact NH2-OE2 2.89Å; V228-E230 PolarHBondContact O-N 3.49Å
231C92.6Very high95.2Very high17 Ų1742 Ų4212%0.11520%0.201CC..  trans-82.3125.9179-62.30000110.7E7 R64 F227 V228 E229 L234E7-C231 HydrophobicContact CB-CB 3.91Å; E7-C231 WeakPolarHBondContact CB-SG 3.3Å; E7-C231 HydrophobicContact CG-CB 4.15Å; R64-C231 PolarHBondContact NH1-SG 2.77Å; F227-C231 PolarHBondContact O-SG 3.16Å; V228-C231 WeakPolarHBondContact O-CB 3.34Å; V228-C231 PolarHBondContact O-N 3.19Å; E229-C231 VanDerWaalsContact C-N 3.35Å; C231-L234 HydrophobicContact CB-CB 4.09Å
232D91.6Very high95.2Very high131 Ų13139.4 Ų39.470%0.70119%0.189SC*.SBendtrans-68.7-41.4170.6-71.7-35.7000110.8
233Y90.8Very high95.2Very high142 Ų14234.5 Ų34.556%0.55716%0.163SC*.SBendtrans-139.379.6179.6-66.9-83.8000111.7V4 E7 Q235V4-Y233 HydrophobicContact CG1-CD2 3.53Å; V4-Y233 HydrophobicContact CG1-CE2 3.62Å; V4-Y233 HydrophobicContact CG1-CG 4.2Å; E7-Y233 PolarHBondContact N-O 3.48Å; E7-Y233 VanDerWaalsContact N-O 3.07Å; E7-Y233 WeakPolarHBondContact OE2-CA 3.33Å; E7-Y233 PolarHBondContact OE2-N 3.32Å; E7-Y233 VanDerWaalsContact OE2-O 3.06Å; Y233-Q235 PolarHBondContact O-N 2.95Å
234L94.1Very high95Very high15 Ų1533.8 Ų33.88%0.07916%0.161CC..EExtended strand (participates in β ladder)trans-57.8112.1172.4-178.568000111.3I9 V228 C231 F237 Y262 R265I9-L234 HydrophobicContact CD1-CD1 3.77Å; I9-L234 HydrophobicContact CG1-CD1 3.97Å; V228-L234 HydrophobicContact CG1-CD2 4.06Å; V228-L234 HydrophobicContact CG2-CD2 4.02Å; C231-L234 HydrophobicContact CB-CB 4.09Å; L234-F237 HydrophobicContact CD2-CE2 4.13Å; L234-F237 HydrophobicContact CD2-CZ 3.85Å; L234-Y262 HydrophobicContact CD2-CD1 4.27Å; L234-R265 PolarHBondContact O-NH1 3.07Å
235Q93.3Very high94.8Very high12 Ų1235.5 Ų35.56%0.05617%0.17CC..EExtended strand (participates in β ladder)trans-83.8-37.3178.1-173.7175.3-97.200112.2R6 E7 V8 Y233 G266 P361 M362R6-Q235 HydrophobicContact CB-CB 4.15Å; E7-Q235 WeakPolarHBondContact O-CB 3.44Å; E7-Q235 PolarHBondContact O-N 3.32Å; V8-Q235 HydrophobicContact CG2-CB 4.38Å; Y233-Q235 PolarHBondContact O-N 2.95Å; Q235-G266 PolarHBondContact O-N 3.32Å; Q235-P361 HydrophobicContact CG-CB 4.34Å; Q235-M362 HydrophobicContact CG-CB 4.23Å; Q235-M362 HydrophobicContact CG-CG 4.26Å; Q235-M362 HydrophobicContact CG-SD 4.2Å; Q235-M362 VanDerWaalsContact NE2-CG 3.25Å; Q235-M362 PolarHBondContact NE2-SD 3.08Å
236G95.8Very high94.7Very high0 Ų031.7 Ų31.70%015%0.152CC..EExtended strand (participates in β ladder)trans162.2-168.2-172.900000114.3I9 G266I9-G236 PolarHBondContact N-O 2.71Å; G236-G266 CarbonylContact C-O 3.56Å; G236-G266 WeakPolarHBondContact CA-O 3.45Å
237F97.8Very high94.8Very high0 Ų029.5 Ų29.50%014%0.142CC..EExtended strand (participates in β ladder)trans-123.2131.5-173.3-59.6-88000110.2I9 L11 L224 V228 L234 L258 Y262 G266 I267 L268 M362I9-F237 HydrophobicContact CB-CD1 3.88Å; I9-F237 HydrophobicContact CB-CE1 4.04Å; I9-F237 HydrophobicContact CD1-CE1 4Å; I9-F237 HydrophobicContact CG2-CD1 4.25Å; I9-F237 HydrophobicContact CG2-CE1 4.37Å; I9-F237 WeakPolarHBondContact O-CA 3.4Å; L11-F237 HydrophobicContact CD1-CB 4.44Å; L11-F237 HydrophobicContact CD1-CD1 3.86Å; L224-F237 HydrophobicContact CD2-CE1 4.09Å; V228-F237 HydrophobicContact CG2-CE1 4.38Å; V228-F237 HydrophobicContact CG2-CZ 4.26Å; L234-F237 HydrophobicContact CD2-CE2 4.13Å; L234-F237 HydrophobicContact CD2-CZ 3.85Å; F237-L258 HydrophobicContact CB-CD1 4.02Å; F237-L258 HydrophobicContact CD1-CD1 4.33Å; F237-L258 HydrophobicContact CD1-CD2 3.83Å; F237-L258 HydrophobicContact CD2-CD2 4.22Å; F237-L258 HydrophobicContact CE1-CD2 3.79Å; F237-L258 HydrophobicContact CE2-CD2 4.2Å; F237-L258 HydrophobicContact CG-CD1 4.06Å; F237-L258 HydrophobicContact CG-CD2 4.04Å; F237-L258 HydrophobicContact CZ-CD2 3.98Å; F237-Y262 HydrophobicContact CE1-CD2 4.47Å; F237-Y262 VanDerWaalsContact CE2-CB 3.48Å; F237-Y262 HydrophobicContact CE2-CD1 4.21Å; F237-Y262 AromaticContact CE2-CD2 3.71Å; F237-Y262 HydrophobicContact CE2-CD2 3.71Å; F237-Y262 AromaticContact CE2-CG 3.53Å; F237-Y262 HydrophobicContact CE2-CG 3.53Å; F237-Y262 HydrophobicContact CZ-CD1 4.01Å; F237-Y262 AromaticContact CZ-CD2 3.49Å; F237-Y262 HydrophobicContact CZ-CD2 3.49Å; F237-Y262 VanDerWaalsContact CZ-CD2 3.49Å; F237-Y262 HydrophobicContact CZ-CE1 4.34Å; F237-Y262 AromaticContact CZ-CE2 3.87Å; F237-Y262 HydrophobicContact CZ-CE2 3.87Å; F237-Y262 AromaticContact CZ-CG 3.58Å; F237-Y262 HydrophobicContact CZ-CG 3.58Å; F237-G266 PolarHBondContact N-O 3.29Å; F237-I267 HydrophobicContact CD2-CG1 4.34Å; F237-L268 PolarHBondContact O-N 2.84Å; F237-M362 WeakPolarHBondContact O-CE 3.36Å
238Q97.7Very high94.8Very high0 Ų029.5 Ų29.50%014%0.142CC..EExtended strand (participates in β ladder)trans-102110.8170.2178.1175.6-20.200108V8 I9 T10 L11 L240 Y353 M362V8-Q238 HydrophobicContact CG1-CB 3.94Å; I9-Q238 PolarHBondContact O-N 3.49Å; T10-Q238 CarbonylContact C-O 3.34Å; T10-Q238 VanDerWaalsContact CA-O 3.23Å; T10-Q238 WeakPolarHBondContact CA-O 3.42Å; T10-Q238 HydrophobicContact CG2-CB 4.43Å; T10-Q238 HydrophobicContact CG2-CG 4.36Å; L11-Q238 PolarHBondContact N-O 3.16Å; Q238-L240 HydrophobicContact CG-CD1 4.09Å; Q238-Y353 PolarHBondContact OE1-OH 3.41Å; Q238-M362 HydrophobicContact CB-CE 4.44Å
239V98.4Very high94.8Very high0 Ų028.2 Ų28.20%013%0.134CC..EExtended strand (participates in β ladder)trans-104.6125.2-178.9-175.90000108.6L11 L13 C241 T255 L258 I267 L268 T269 W270L11-V239 HydrophobicContact CB-CG2 4.47Å; L11-V239 CarbonylContact O-C 3.55Å; L11-V239 WeakPolarHBondContact O-CA 3.19Å; L13-V239 HydrophobicContact CD1-CG1 4.01Å; V239-C241 HydrophobicContact CG1-CB 4.46Å; V239-T255 HydrophobicContact CG1-CG2 4.39Å; V239-T255 HydrophobicContact CG2-CG2 4.46Å; V239-L258 HydrophobicContact CG2-CD1 3.87Å; V239-I267 HydrophobicContact CG2-CG2 4.47Å; V239-L268 PolarHBondContact N-O 3.36Å; V239-T269 HydrophobicContact CB-CG2 4.14Å; V239-T269 HydrophobicContact CG1-CG2 4.21Å; V239-T269 CarbonylContact O-C 3.59Å; V239-T269 WeakPolarHBondContact O-CA 3.1Å; V239-W270 PolarHBondContact O-N 3.31Å
240L98.5Very high94.9Very high1 Ų120.7 Ų20.71%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-108.2124.8165.8-6585.5000107.4T10 L11 Q12 L13 V20 Q238 W270 L346T10-L240 HydrophobicContact CG2-CD1 3.69Å; L11-L240 PolarHBondContact O-N 2.75Å; Q12-L240 CarbonylContact C-O 3.49Å; Q12-L240 WeakPolarHBondContact CA-O 3.4Å; Q12-L240 HydrophobicContact CG-CB 4.35Å; Q12-L240 HydrophobicContact CG-CD1 4.14Å; L13-L240 PolarHBondContact N-O 3.45Å; V20-L240 HydrophobicContact CB-CD2 4.35Å; V20-L240 HydrophobicContact CG1-CD2 4.01Å; Q238-L240 HydrophobicContact CG-CD1 4.09Å; L240-W270 WeakPolarHBondContact CA-O 3.49Å; L240-W270 HydrophobicContact CG-CB 4.41Å; L240-L346 HydrophobicContact CD2-CD2 3.75Å; L240-L346 HydrophobicContact CG-CD2 4.4Å
241C98Very high95.1Very high0 Ų017.9 Ų17.90%09%0.086CC..EExtended strand (participates in β ladder)trans-137.2136.1-175.6-1730000111.5L13 V239 L243 F247 W270 G271 V272 M299L13-C241 HydrophobicContact CB-CB 4.32Å; L13-C241 WeakPolarHBondContact O-CA 3.44Å; V239-C241 HydrophobicContact CG1-CB 4.46Å; C241-L243 PolarHBondContact O-N 3.07Å; C241-F247 PolarHBondContact SG-O 3.5Å; C241-W270 PolarHBondContact N-O 3.46Å; C241-W270 VanDerWaalsContact N-O 3.09Å; C241-G271 CarbonylContact O-C 3.51Å; C241-G271 WeakPolarHBondContact O-CA 3.22Å; C241-V272 WeakPolarHBondContact O-CG2 3.44Å; C241-V272 PolarHBondContact O-N 3.28Å; C241-M299 HydrophobicContact CB-SD 3.91Å
242D96.8Very high95.3Very high6 Ų617.1 Ų17.13%0.0328%0.081CC..EExtended strand (participates in β ladder)trans-67.1129.9170.1-70.7-5.4000109.8L13 G14 H15 Y16 S17 D245 F247 A248 V272L13-D242 PolarHBondContact O-N 2.94Å; G14-D242 VanDerWaalsContact C-OD2 3.29Å; G14-D242 WeakPolarHBondContact CA-OD2 3.13Å; H15-D242 PolarHBondContact N-OD2 3.45Å; Y16-D242 WeakPolarHBondContact CB-OD1 3.44Å; Y16-D242 PolarHBondContact N-OD1 3.48Å; Y16-D242 PolarHBondContact N-OD2 3Å; S17-D242 VanDerWaalsContact CB-OD1 3.31Å; S17-D242 WeakPolarHBondContact CB-OD1 3.27Å; S17-D242 PolarHBondContact N-OD1 2.96Å; D242-D245 WeakPolarHBondContact CB-OD1 3.43Å; D242-F247 HydrophobicContact CB-CB 4.1Å; D242-A248 WeakPolarHBondContact O-CA 3.5Å; D242-A248 PolarHBondContact O-N 3.39Å; D242-V272 WeakPolarHBondContact CA-O 3.37Å; D242-V272 VanDerWaalsContact OD1-CG2 3.27Å; D242-V272 WeakPolarHBondContact OD1-CG2 3.16Å
243L94.8Very high95.6Very high1 Ų113.9 Ų13.91%0.0056%0.061CC..SBendtrans-92.5-22.4-176.7-68.7-175.7000114.1C241 A248 V272 N291 A292 M299 F306 P308 L315C241-L243 PolarHBondContact O-N 3.07Å; L243-A248 WeakPolarHBondContact O-CB 3.45Å; L243-V272 PolarHBondContact N-O 2.98Å; L243-N291 CarbonylContact O-C 3.54Å; L243-A292 VanDerWaalsContact O-CA 3.24Å; L243-A292 WeakPolarHBondContact O-CA 3.49Å; L243-A292 PolarHBondContact O-N 2.88Å; L243-M299 HydrophobicContact CD2-CE 3.23Å; L243-M299 HydrophobicContact CD2-SD 4.36Å; L243-F306 HydrophobicContact CD1-CZ 3.93Å; L243-F306 HydrophobicContact CD2-CE2 3.99Å; L243-F306 HydrophobicContact CD2-CZ 3.81Å; L243-P308 HydrophobicContact CD1-CB 3.91Å; L243-L315 HydrophobicContact CD1-CD1 3.82Å
244E92.2Very high95.9Very high8 Ų87.1 Ų7.14%0.0373%0.034CC..SBendtrans-100.8-8.4-166.7-73.6178.9142.300112.9A273 P274 H277 H288 N291 A292 L315E244-A273 HydrophobicContact CG-CB 4.04Å; E244-A273 WeakPolarHBondContact OE2-CB 3.12Å; E244-P274 WeakPolarHBondContact OE2-CD 3.49Å; E244-H277 IonicContact OE1-NE2 2.69Å; E244-H277 IonicContact OE2-CE1 2.9Å; E244-H277 PolarHBondContact OE2-CE1 2.8Å; E244-H277 IonicContact OE2-NE2 3.96Å; E244-H277 PolarHBondContact OE2-NE2 2.78Å; E244-H288 HydrophobicContact CB-CB 3.83Å; E244-H288 HydrophobicContact CG-CB 4.07Å; E244-H288 VanDerWaalsContact O-CA 3.24Å; E244-H288 WeakPolarHBondContact O-CA 3.39Å; E244-H288 PolarHBondContact O-ND1 2.98Å; E244-N291 PolarHBondContact O-ND2 3.39Å; E244-A292 HydrophobicContact CG-CB 4.46Å; E244-L315 HydrophobicContact CG-CD2 4.48Å
245D91.7Very high96.1Very high39 Ų396.4 Ų6.421%0.2093%0.031CC..SBendtrans-119.5-170.7178.16218.4000111.6D242 F247 A248 N291D242-D245 WeakPolarHBondContact CB-OD1 3.43Å; D245-F247 PolarHBondContact O-N 2.81Å; D245-F247 VanDerWaalsContact O-N 3.13Å; D245-F247 WeakPolarHBondContact OD1-CB 3.48Å; D245-F247 WeakPolarHBondContact OD1-CD2 3.24Å; D245-F247 PolarHBondContact OD1-N 3.17Å; D245-A248 VanDerWaalsContact O-CB 3.3Å; D245-A248 WeakPolarHBondContact O-CB 3.4Å; D245-A248 PolarHBondContact O-N 2.97Å; D245-N291 WeakPolarHBondContact CA-ND2 3.31Å; D245-N291 PolarHBondContact O-ND2 2.72Å
246G93.3Very high96.2Very high0 Ų08.7 Ų8.70%04%0.041CC..THydrogen-bonded Turntrans-66.3-10.5-179.600000113.5L202 T204 G208 A248 G249 L250L202-G246 PolarHBondContact O-N 2.89Å; T204-G246 WeakPolarHBondContact O-CA 3.33Å; G208-G246 WeakPolarHBondContact CA-O 3.3Å; G246-A248 PolarHBondContact O-N 3.48Å; G246-G249 PolarHBondContact O-N 2.93Å; G246-L250 PolarHBondContact O-N 3.39Å
247F96.2Very high96.3Very high3 Ų39.8 Ų9.81%0.0135%0.047CC..Hα-helixtrans-64.1-21.8169.4-70.6-84.4000112.1G14 L70 I190 L202 C241 D242 D245 G249 L250 G251G14-F247 VanDerWaalsContact CA-CD1 3.46Å; G14-F247 VanDerWaalsContact CA-CD2 3.48Å; G14-F247 VanDerWaalsContact CA-CG 3.42Å; G14-F247 VanDerWaalsContact N-CD1 3.32Å; L70-F247 HydrophobicContact CD1-CE2 4.32Å; L70-F247 HydrophobicContact CD2-CE1 4.35Å; L70-F247 HydrophobicContact CD2-CE2 4.06Å; L70-F247 HydrophobicContact CD2-CZ 3.52Å; L70-F247 HydrophobicContact CG-CE2 3.95Å; L70-F247 HydrophobicContact CG-CZ 3.69Å; I190-F247 HydrophobicContact CD1-CE1 4.07Å; L202-F247 HydrophobicContact CD2-CD1 4.16Å; L202-F247 HydrophobicContact CD2-CD2 3.9Å; L202-F247 HydrophobicContact CD2-CE1 4.16Å; L202-F247 HydrophobicContact CD2-CE2 3.9Å; L202-F247 HydrophobicContact CD2-CG 4.04Å; L202-F247 HydrophobicContact CD2-CZ 4.03Å; C241-F247 PolarHBondContact SG-O 3.5Å; D242-F247 HydrophobicContact CB-CB 4.1Å; D245-F247 PolarHBondContact O-N 2.81Å; D245-F247 VanDerWaalsContact O-N 3.13Å; D245-F247 WeakPolarHBondContact OD1-CB 3.48Å; D245-F247 WeakPolarHBondContact OD1-CD2 3.24Å; D245-F247 PolarHBondContact OD1-N 3.17Å; F247-G249 VanDerWaalsContact C-N 3.27Å; F247-G249 PolarHBondContact O-N 2.92Å; F247-L250 HydrophobicContact CD1-CD2 3.75Å; F247-L250 HydrophobicContact CE1-CD2 4.06Å; F247-L250 PolarHBondContact O-N 2.95Å; F247-G251 PolarHBondContact O-N 3.14Å
248A96.2Very high96.3Very high0 Ų09.8 Ų9.80%05%0.047CC..Hα-helixtrans-59.4-38.1173.400000112.4F205 D242 L243 D245 G246 S252 N291F205-A248 HydrophobicContact CD2-CB 4.04Å; F205-A248 HydrophobicContact CE2-CB 4.29Å; F205-A248 WeakPolarHBondContact CE2-O 3.37Å; D242-A248 WeakPolarHBondContact O-CA 3.5Å; D242-A248 PolarHBondContact O-N 3.39Å; L243-A248 WeakPolarHBondContact O-CB 3.45Å; D245-A248 VanDerWaalsContact O-CB 3.3Å; D245-A248 WeakPolarHBondContact O-CB 3.4Å; D245-A248 PolarHBondContact O-N 2.97Å; G246-A248 PolarHBondContact O-N 3.48Å; A248-S252 WeakPolarHBondContact O-CB 3.26Å; A248-S252 PolarHBondContact O-N 2.84Å; A248-S252 PolarHBondContact O-OG 3.31Å; A248-N291 HydrophobicContact CB-CB 4.15Å
249G95.4Very high96.2Very high0 Ų013.1 Ų13.10%06%0.063CC..Hα-helixtrans-74.4-41.217500000112.7F205 G246 F247 G251 S252 K253F205-G249 VanDerWaalsContact CE2-CA 3.41Å; F205-G249 WeakPolarHBondContact O-CA 3.42Å; G246-G249 PolarHBondContact O-N 2.93Å; F247-G249 VanDerWaalsContact C-N 3.27Å; F247-G249 PolarHBondContact O-N 2.92Å; G249-G251 VanDerWaalsContact C-N 3.33Å; G249-G251 PolarHBondContact O-N 2.85Å; G249-S252 WeakPolarHBondContact O-CB 3.45Å; G249-S252 PolarHBondContact O-N 3.32Å; G249-K253 PolarHBondContact O-N 3.06Å; G249-K253 VanDerWaalsContact O-N 3.13Å
250L96.1Very high96.1Very high0 Ų018.9 Ų18.90%09%0.094CC..Hα-helixtrans-58.5-47.7173178.961.5000110.9M68 I190 L212 G246 F247 S252 K253 V254M68-L250 HydrophobicContact SD-CD2 4.08Å; I190-L250 HydrophobicContact CD1-CD2 3.64Å; L212-L250 HydrophobicContact CB-CD1 3.7Å; L212-L250 HydrophobicContact CD1-CD1 3.91Å; L212-L250 HydrophobicContact CG-CD1 4.25Å; G246-L250 PolarHBondContact O-N 3.39Å; F247-L250 HydrophobicContact CD1-CD2 3.75Å; F247-L250 HydrophobicContact CE1-CD2 4.06Å; F247-L250 PolarHBondContact O-N 2.95Å; L250-S252 VanDerWaalsContact C-N 3.33Å; L250-S252 PolarHBondContact O-N 3.07Å; L250-K253 PolarHBondContact O-N 3.03Å; L250-V254 HydrophobicContact CD1-CG2 4.28Å; L250-V254 HydrophobicContact CG-CG2 4.37Å; L250-V254 VanDerWaalsContact O-CG2 3.32Å; L250-V254 WeakPolarHBondContact O-CG2 3.25Å; L250-V254 PolarHBondContact O-N 3.48Å
251G96.9Very high95.9Very high0 Ų022.2 Ų22.20%012%0.117CC..Hα-helixtrans-62.1-38.8178.500000112.7F247 G249 V254 T255F247-G251 PolarHBondContact O-N 3.14Å; G249-G251 VanDerWaalsContact C-N 3.33Å; G249-G251 PolarHBondContact O-N 2.85Å; G251-V254 PolarHBondContact O-N 3.22Å; G251-T255 WeakPolarHBondContact O-CG2 3.42Å; G251-T255 PolarHBondContact O-N 2.74Å; G251-T255 PolarHBondContact O-OG1 3.47Å
252S96.4Very high95.7Very high2 Ų223.9 Ų23.91%0.01412%0.123CC..Hα-helixtrans-57.9-50.2173-59.80000111.1F205 A248 G249 L250 V254 T255 E256 N298F205-S252 WeakPolarHBondContact CE2-OG 3.4Å; F205-S252 WeakPolarHBondContact CZ-OG 3.21Å; A248-S252 WeakPolarHBondContact O-CB 3.26Å; A248-S252 PolarHBondContact O-N 2.84Å; A248-S252 PolarHBondContact O-OG 3.31Å; G249-S252 WeakPolarHBondContact O-CB 3.45Å; G249-S252 PolarHBondContact O-N 3.32Å; L250-S252 VanDerWaalsContact C-N 3.33Å; L250-S252 PolarHBondContact O-N 3.07Å; S252-V254 PolarHBondContact O-N 3.48Å; S252-T255 PolarHBondContact O-N 2.88Å; S252-T255 PolarHBondContact O-OG1 3.49Å; S252-E256 WeakPolarHBondContact O-CB 3.46Å; S252-E256 PolarHBondContact O-N 2.96Å; S252-N298 WeakPolarHBondContact OG-CB 3.44Å
253K96.7Very high95.3Very high62 Ų6226 Ų2627%0.2715%0.147SC..Hα-helixtrans-65.9-36.4176.6-67.7-53.7-176.4-174.90114E209 L212 G249 L250 E256 L257E209-K253 HydrophobicContact CB-CG 4.02Å; E209-K253 HydrophobicContact CG-CG 4.07Å; E209-K253 VanDerWaalsContact OE1-CE 3.29Å; E209-K253 WeakPolarHBondContact OE1-CE 3.45Å; E209-K253 IonicContact OE1-NZ 3.95Å; L212-K253 HydrophobicContact CB-CB 4.2Å; L212-K253 HydrophobicContact CD2-CB 3.59Å; G249-K253 PolarHBondContact O-N 3.06Å; G249-K253 VanDerWaalsContact O-N 3.13Å; L250-K253 PolarHBondContact O-N 3.03Å; K253-E256 WeakPolarHBondContact CD-OE2 3.47Å; K253-E256 WeakPolarHBondContact CE-OE2 3.47Å; K253-E256 IonicContact NZ-OE1 3.61Å; K253-E256 IonicContact NZ-OE2 3.8Å; K253-E256 PolarHBondContact NZ-OE2 2.84Å; K253-E256 PolarHBondContact O-N 3.2Å; K253-L257 WeakPolarHBondContact O-CB 3.16Å; K253-L257 PolarHBondContact O-N 3.36Å
254V97.6Very high94.8Very high0 Ų029.7 Ų29.70%019%0.185CC..Hα-helixtrans-65.5-42.5173.9171.60000110.7L11 L13 L212 L220 L250 G251 S252 L257 L258L11-V254 HydrophobicContact CD2-CG1 3.51Å; L13-V254 HydrophobicContact CD1-CB 3.85Å; L13-V254 HydrophobicContact CD1-CG1 3.92Å; L13-V254 HydrophobicContact CD1-CG2 4.01Å; L13-V254 HydrophobicContact CD2-CG2 4.44Å; L212-V254 HydrophobicContact CD1-CG2 4.26Å; L212-V254 HydrophobicContact CD2-CG2 3.84Å; L220-V254 HydrophobicContact CD2-CG1 4.49Å; L220-V254 HydrophobicContact CD2-CG2 3.92Å; L250-V254 HydrophobicContact CD1-CG2 4.28Å; L250-V254 HydrophobicContact CG-CG2 4.37Å; L250-V254 VanDerWaalsContact O-CG2 3.32Å; L250-V254 WeakPolarHBondContact O-CG2 3.25Å; L250-V254 PolarHBondContact O-N 3.48Å; G251-V254 PolarHBondContact O-N 3.22Å; S252-V254 PolarHBondContact O-N 3.48Å; V254-L257 PolarHBondContact O-N 3.35Å; V254-L258 HydrophobicContact CG1-CD1 4.25Å; V254-L258 HydrophobicContact CG1-CG 4.5Å; V254-L258 VanDerWaalsContact O-CG 3.27Å; V254-L258 WeakPolarHBondContact O-CG 3.35Å; V254-L258 PolarHBondContact O-N 3.06Å
255T97.3Very high94.8Very high0 Ų035.3 Ų35.30%021%0.206CC..Hα-helixtrans-68.1-35.5176.9540000112.7V239 G251 S252 L258 Q259 T269 M299V239-T255 HydrophobicContact CG1-CG2 4.39Å; V239-T255 HydrophobicContact CG2-CG2 4.46Å; G251-T255 WeakPolarHBondContact O-CG2 3.42Å; G251-T255 PolarHBondContact O-N 2.74Å; G251-T255 PolarHBondContact O-OG1 3.47Å; S252-T255 PolarHBondContact O-N 2.88Å; S252-T255 PolarHBondContact O-OG1 3.49Å; T255-L258 PolarHBondContact O-N 2.97Å; T255-Q259 WeakPolarHBondContact O-CB 3.45Å; T255-Q259 PolarHBondContact O-N 3.47Å; T255-T269 HydrophobicContact CG2-CG2 4.42Å; T255-M299 HydrophobicContact CG2-CG 4.26Å
256E96.8Very high94.8Very high61 Ų6133.4 Ų33.429%0.28520%0.196SC..Hα-helixtrans-59.8-51.9171.3-172.8-177.4174.100110.4S252 K253 L258 Q259 D260S252-E256 WeakPolarHBondContact O-CB 3.46Å; S252-E256 PolarHBondContact O-N 2.96Å; K253-E256 WeakPolarHBondContact CD-OE2 3.47Å; K253-E256 WeakPolarHBondContact CE-OE2 3.47Å; K253-E256 IonicContact NZ-OE1 3.61Å; K253-E256 IonicContact NZ-OE2 3.8Å; K253-E256 PolarHBondContact NZ-OE2 2.84Å; K253-E256 PolarHBondContact O-N 3.2Å; E256-L258 VanDerWaalsContact C-N 3.3Å; E256-L258 PolarHBondContact O-N 3.31Å; E256-Q259 WeakPolarHBondContact O-CB 3.45Å; E256-Q259 PolarHBondContact O-N 2.97Å; E256-D260 PolarHBondContact O-N 2.91Å
257L97.2Very high95Very high23 Ų2333.6 Ų33.612%0.1220%0.197CC..Hα-helixtrans-55.3-44.2176.5178.670.4000112.4L217 L220 E221 L224 K253 V254 D260 S261L217-L257 HydrophobicContact CD1-CD1 4.13Å; L217-L257 HydrophobicContact CD1-CD2 3.75Å; L220-L257 HydrophobicContact CD2-CD2 3.93Å; E221-L257 HydrophobicContact CG-CD2 4.33Å; L224-L257 HydrophobicContact CD1-CD2 4.37Å; K253-L257 WeakPolarHBondContact O-CB 3.16Å; K253-L257 PolarHBondContact O-N 3.36Å; V254-L257 PolarHBondContact O-N 3.35Å; L257-D260 PolarHBondContact O-N 3.17Å; L257-S261 VanDerWaalsContact O-CB 3.3Å; L257-S261 WeakPolarHBondContact O-CB 3.48Å; L257-S261 PolarHBondContact O-N 3.47Å; L257-S261 PolarHBondContact O-OG 3.41Å; L257-S261 VanDerWaalsContact O-OG 3.05Å
258L97.1Very high95.1Very high0 Ų033.5 Ų33.50%020%0.196CC..Hα-helixtrans-67.2-38.1178.1-69.6176.3000111.9L11 L224 F237 V239 V254 T255 E256 Y262 I267L11-L258 HydrophobicContact CD1-CD1 4.23Å; L11-L258 HydrophobicContact CD2-CD1 4.32Å; L224-L258 HydrophobicContact CD1-CD2 4.15Å; L224-L258 HydrophobicContact CD2-CD2 4.25Å; F237-L258 HydrophobicContact CB-CD1 4.02Å; F237-L258 HydrophobicContact CD1-CD1 4.33Å; F237-L258 HydrophobicContact CD1-CD2 3.83Å; F237-L258 HydrophobicContact CD2-CD2 4.22Å; F237-L258 HydrophobicContact CE1-CD2 3.79Å; F237-L258 HydrophobicContact CE2-CD2 4.2Å; F237-L258 HydrophobicContact CG-CD1 4.06Å; F237-L258 HydrophobicContact CG-CD2 4.04Å; F237-L258 HydrophobicContact CZ-CD2 3.98Å; V239-L258 HydrophobicContact CG2-CD1 3.87Å; V254-L258 HydrophobicContact CG1-CD1 4.25Å; V254-L258 HydrophobicContact CG1-CG 4.5Å; V254-L258 VanDerWaalsContact O-CG 3.27Å; V254-L258 WeakPolarHBondContact O-CG 3.35Å; V254-L258 PolarHBondContact O-N 3.06Å; T255-L258 PolarHBondContact O-N 2.97Å; E256-L258 VanDerWaalsContact C-N 3.3Å; E256-L258 PolarHBondContact O-N 3.31Å; L258-Y262 HydrophobicContact CD2-CD2 3.9Å; L258-Y262 HydrophobicContact CD2-CE2 4.19Å; L258-Y262 CarbonylContact O-C 3.59Å; L258-Y262 VanDerWaalsContact O-CA 3.31Å; L258-Y262 WeakPolarHBondContact O-CA 3.38Å; L258-Y262 WeakPolarHBondContact O-CB 3.32Å; L258-Y262 PolarHBondContact O-N 3.39Å; L258-I267 HydrophobicContact CB-CD1 4.04Å
259Q96.3Very high95.1Very high69 Ų6933.5 Ų33.532%0.32220%0.196SC..Hα-helixtrans-65.3-42.4176.3-174.4-179.524.300111.4T255 E256 G263 I267 H302T255-Q259 WeakPolarHBondContact O-CB 3.45Å; T255-Q259 PolarHBondContact O-N 3.47Å; E256-Q259 WeakPolarHBondContact O-CB 3.45Å; E256-Q259 PolarHBondContact O-N 2.97Å; Q259-G263 WeakPolarHBondContact O-CA 3.42Å; Q259-G263 PolarHBondContact O-N 2.76Å; Q259-I267 HydrophobicContact CB-CD1 4.34Å; Q259-H302 HydrophobicContact CB-CB 4.32Å; Q259-H302 PolarHBondContact OE1-ND1 2.94Å
260D96.3Very high95.3Very high122 Ų12233.6 Ų33.665%0.65220%0.197SC*.Hα-helixtrans-69.7-44.6-179.3-73.2-13.8000112E256 L257E256-D260 PolarHBondContact O-N 2.91Å; L257-D260 PolarHBondContact O-N 3.17Å
261S94.9Very high95.3Very high71 Ų7133.6 Ų33.650%0.49720%0.197SC..Hα-helixtrans-83-34.3-175.3-58.20000113.1L257L257-S261 VanDerWaalsContact O-CB 3.3Å; L257-S261 WeakPolarHBondContact O-CB 3.48Å; L257-S261 PolarHBondContact O-N 3.47Å; L257-S261 PolarHBondContact O-OG 3.41Å; L257-S261 VanDerWaalsContact O-OG 3.05Å
262Y93.7Very high95.3Very high34 Ų3433.6 Ų33.613%0.13320%0.197CC..Hα-helixtrans-12727.8-172-53.5-77.7000112.9V228 L234 F237 L258 G264 R265V228-Y262 HydrophobicContact CG1-CE1 4Å; V228-Y262 HydrophobicContact CG2-CE1 4.02Å; L234-Y262 HydrophobicContact CD2-CD1 4.27Å; F237-Y262 HydrophobicContact CE1-CD2 4.47Å; F237-Y262 VanDerWaalsContact CE2-CB 3.48Å; F237-Y262 HydrophobicContact CE2-CD1 4.21Å; F237-Y262 AromaticContact CE2-CD2 3.71Å; F237-Y262 HydrophobicContact CE2-CD2 3.71Å; F237-Y262 AromaticContact CE2-CG 3.53Å; F237-Y262 HydrophobicContact CE2-CG 3.53Å; F237-Y262 HydrophobicContact CZ-CD1 4.01Å; F237-Y262 AromaticContact CZ-CD2 3.49Å; F237-Y262 HydrophobicContact CZ-CD2 3.49Å; F237-Y262 VanDerWaalsContact CZ-CD2 3.49Å; F237-Y262 HydrophobicContact CZ-CE1 4.34Å; F237-Y262 AromaticContact CZ-CE2 3.87Å; F237-Y262 HydrophobicContact CZ-CE2 3.87Å; F237-Y262 AromaticContact CZ-CG 3.58Å; F237-Y262 HydrophobicContact CZ-CG 3.58Å; L258-Y262 HydrophobicContact CD2-CD2 3.9Å; L258-Y262 HydrophobicContact CD2-CE2 4.19Å; L258-Y262 CarbonylContact O-C 3.59Å; L258-Y262 VanDerWaalsContact O-CA 3.31Å; L258-Y262 WeakPolarHBondContact O-CA 3.38Å; L258-Y262 WeakPolarHBondContact O-CB 3.32Å; L258-Y262 PolarHBondContact O-N 3.39Å; Y262-G264 PolarHBondContact O-N 3.29Å; Y262-R265 WeakPolarHBondContact O-CB 3.34Å; Y262-R265 WeakPolarHBondContact O-CG 3.29Å; Y262-R265 PolarHBondContact O-N 2.96Å; Y262-R265 VanDerWaalsContact O-N 3.08Å
263G87.6Confident95.2Very high52 Ų5233.5 Ų33.554%0.53620%0.196SC..THydrogen-bonded Turntrans-48.4135.3175.900000112.7Q259Q259-G263 WeakPolarHBondContact O-CA 3.42Å; Q259-G263 PolarHBondContact O-N 2.76Å
264G85.1Confident95Very high77 Ų7730.9 Ų30.979%0.79419%0.186SC*.THydrogen-bonded Turntrans89.1-8.7-176.200000115Y262Y262-G264 PolarHBondContact O-N 3.29Å
265R91.3Very high94.6Very high126 Ų12631.1 Ų31.148%0.47519%0.187SC..SBendtrans-82.9156.6164.1-55.8-63.2177.8167.8-5.6110.1L234 Y262 I267L234-R265 PolarHBondContact O-NH1 3.07Å; Y262-R265 WeakPolarHBondContact O-CB 3.34Å; Y262-R265 WeakPolarHBondContact O-CG 3.29Å; Y262-R265 PolarHBondContact O-N 2.96Å; Y262-R265 VanDerWaalsContact O-N 3.08Å; R265-I267 PolarHBondContact O-N 3.42Å
266G92.8Very high94Very high0 Ų034.1 Ų34.10%021%0.205CC..EExtended strand (participates in β ladder)trans-73.3112.117900000111.2Q235 G236 F237Q235-G266 PolarHBondContact O-N 3.32Å; G236-G266 CarbonylContact C-O 3.56Å; G236-G266 WeakPolarHBondContact CA-O 3.45Å; F237-G266 PolarHBondContact N-O 3.29Å
267I97.1Very high93.4Very high4 Ų432.5 Ų32.52%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-104.5102.7174.4-57.2167.7000107.4F237 V239 L258 Q259 R265 S304 L305F237-I267 HydrophobicContact CD2-CG1 4.34Å; V239-I267 HydrophobicContact CG2-CG2 4.47Å; L258-I267 HydrophobicContact CB-CD1 4.04Å; Q259-I267 HydrophobicContact CB-CD1 4.34Å; R265-I267 PolarHBondContact O-N 3.42Å; I267-S304 PolarHBondContact N-OG 3.43Å; I267-S304 WeakPolarHBondContact O-CB 3.01Å; I267-S304 PolarHBondContact O-N 3.17Å; I267-L305 PolarHBondContact O-N 2.58Å
268L97.4Very high92.2Very high1 Ų137 Ų371%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-103.2113178.1-54.1-173.2000108.9F237 V239 L305 Y353 M362 A366F237-L268 PolarHBondContact O-N 2.84Å; V239-L268 PolarHBondContact N-O 3.36Å; L268-L305 HydrophobicContact CD2-CB 3.77Å; L268-L305 HydrophobicContact CD2-CD2 4.22Å; L268-Y353 HydrophobicContact CD1-CD1 4.14Å; L268-Y353 HydrophobicContact CD1-CE1 3.64Å; L268-M362 HydrophobicContact CB-CE 3.99Å; L268-M362 HydrophobicContact CD1-CB 4.09Å; L268-M362 HydrophobicContact CD1-CE 3.8Å; L268-M362 HydrophobicContact CD1-CG 3.81Å; L268-M362 HydrophobicContact CG-CB 4.23Å; L268-M362 HydrophobicContact CG-CE 3.6Å; L268-M362 HydrophobicContact CG-CG 4.27Å; L268-A366 HydrophobicContact CD2-CB 3.93Å
269T98Very high91.1Very high0 Ų041 Ų410%023%0.234CC..EExtended strand (participates in β ladder)trans-108123.2-176.4-58.80000110.9V239 T255 M299 S303 L305 F306 C307V239-T269 HydrophobicContact CB-CG2 4.14Å; V239-T269 HydrophobicContact CG1-CG2 4.21Å; V239-T269 CarbonylContact O-C 3.59Å; V239-T269 WeakPolarHBondContact O-CA 3.1Å; T255-T269 HydrophobicContact CG2-CG2 4.42Å; T269-M299 HydrophobicContact CG2-CB 4.26Å; T269-M299 HydrophobicContact CG2-CG 4.43Å; T269-M299 HydrophobicContact CG2-SD 3.88Å; T269-S303 VanDerWaalsContact CB-OG 3.3Å; T269-S303 WeakPolarHBondContact CB-OG 3.16Å; T269-S303 PolarHBondContact OG1-OG 3.48Å; T269-L305 PolarHBondContact N-O 3.04Å; T269-F306 HydrophobicContact CG2-CD2 3.86Å; T269-F306 HydrophobicContact CG2-CE2 4.25Å; T269-F306 CarbonylContact O-C 3.5Å; T269-F306 WeakPolarHBondContact O-CA 3.31Å; T269-C307 PolarHBondContact O-N 3.24Å
270W97.9Very high90.3Very high1 Ų140.4 Ų40.40%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-106.793.7177.4-51.199.2000108V239 L240 C241 V272 L305 C307 L309 L346 L349 L526V239-W270 PolarHBondContact O-N 3.31Å; L240-W270 WeakPolarHBondContact CA-O 3.49Å; L240-W270 HydrophobicContact CG-CB 4.41Å; C241-W270 PolarHBondContact N-O 3.46Å; C241-W270 VanDerWaalsContact N-O 3.09Å; W270-V272 PolarHBondContact O-N 3.45Å; W270-L305 HydrophobicContact CH2-CD2 4.38Å; W270-C307 CarbonylContact C-O 3.46Å; W270-C307 WeakPolarHBondContact CA-O 3.21Å; W270-C307 HydrophobicContact CE3-CB 3.53Å; W270-C307 HydrophobicContact CZ3-CB 3.55Å; W270-L309 HydrophobicContact CB-CD1 4.01Å; W270-L309 HydrophobicContact CD2-CD1 4.35Å; W270-L309 HydrophobicContact CE3-CD1 3.87Å; W270-L309 HydrophobicContact CE3-CD2 4.36Å; W270-L309 HydrophobicContact CE3-CG 4.14Å; W270-L309 HydrophobicContact CG-CD1 4.43Å; W270-L346 HydrophobicContact CD2-CD1 3.68Å; W270-L346 HydrophobicContact CE3-CD1 4.2Å; W270-L346 HydrophobicContact CG-CD1 3.87Å; W270-L346 HydrophobicContact CZ2-CD1 4.27Å; W270-L349 HydrophobicContact CH2-CB 4.36Å; W270-L349 HydrophobicContact CH2-CD1 4.5Å; W270-L349 HydrophobicContact CZ3-CD1 4.18Å; W270-L526 HydrophobicContact CH2-CD1 4.01Å; W270-L526 HydrophobicContact CH2-CD2 4.07Å; W270-L526 HydrophobicContact CZ3-CD2 3.93Å
271G96.9Very high89.7Confident0 Ų037.4 Ų37.40%022%0.224CC..EExtended strand (participates in β ladder)trans-73.9119.5174.100000109.4C241 C307 P308 L309C241-G271 CarbonylContact O-C 3.51Å; C241-G271 WeakPolarHBondContact O-CA 3.22Å; G271-C307 PolarHBondContact N-O 2.77Å; G271-P308 CarbonylContact O-C 3.51Å; G271-P308 VanDerWaalsContact O-CA 3.31Å; G271-P308 WeakPolarHBondContact O-CA 3.38Å; G271-L309 PolarHBondContact O-N 3.11Å
272V96.9Very high89.1Confident0 Ų038.5 Ų38.50%023%0.23CC..EExtended strand (participates in β ladder)trans-107.7146.1-178.2-650000111.6Y16 V20 C241 D242 L243 W270 L309Y16-V272 HydrophobicContact CD1-CB 3.92Å; Y16-V272 HydrophobicContact CD1-CG2 3.87Å; Y16-V272 HydrophobicContact CE1-CB 4.1Å; V20-V272 HydrophobicContact CG2-CG1 4.32Å; C241-V272 WeakPolarHBondContact O-CG2 3.44Å; C241-V272 PolarHBondContact O-N 3.28Å; D242-V272 WeakPolarHBondContact CA-O 3.37Å; D242-V272 VanDerWaalsContact OD1-CG2 3.27Å; D242-V272 WeakPolarHBondContact OD1-CG2 3.16Å; L243-V272 PolarHBondContact N-O 2.98Å; W270-V272 PolarHBondContact O-N 3.45Å; V272-L309 VanDerWaalsContact CA-O 3.29Å; V272-L309 WeakPolarHBondContact CA-O 3.3Å; V272-L309 HydrophobicContact CG1-CB 4.11Å
273A94.6Very high88.6Confident0 Ų039.4 Ų39.40%024%0.244CC..EExtended strand (participates in β ladder)trans-140131.3174.300000110.8Y16 E244 L309 T310 L315Y16-A273 VanDerWaalsContact CE1-C 3.43Å; Y16-A273 WeakPolarHBondContact CE1-O 3.44Å; E244-A273 HydrophobicContact CG-CB 4.04Å; E244-A273 WeakPolarHBondContact OE2-CB 3.12Å; A273-L309 PolarHBondContact N-O 3.36Å; A273-L309 VanDerWaalsContact N-O 3.07Å; A273-T310 WeakPolarHBondContact O-CB 3.47Å; A273-T310 PolarHBondContact O-OG1 2.81Å; A273-L315 HydrophobicContact CB-CD2 3.57Å
274P92.4Very high88.6Confident8 Ų839.3 Ų39.35%0.05223%0.227CC..  trans-67158.6177.129.3-35.5000111.8Y16 E244 W335Y16-P274 HydrophobicContact CD1-CB 4.25Å; Y16-P274 HydrophobicContact CD2-CB 3.84Å; Y16-P274 HydrophobicContact CE1-CB 4.29Å; Y16-P274 HydrophobicContact CE2-CB 3.88Å; Y16-P274 HydrophobicContact CG-CB 4.03Å; Y16-P274 HydrophobicContact CG-CG 4.4Å; E244-P274 WeakPolarHBondContact OE2-CD 3.49Å; P274-W335 HydrophobicContact CB-CZ2 4.39Å; P274-W335 HydrophobicContact CG-CZ2 4.39Å
275V88.1Confident88.6Confident5 Ų538.2 Ų38.23%0.0320%0.203CC..SBendtrans-71.9-42.3176.6-173.20000111.3L311 R312 P322 P332V275-L311 HydrophobicContact CG2-CB 3.59Å; V275-R312 PolarHBondContact O-NH1 2.77Å; V275-P322 HydrophobicContact CG1-CB 4.34Å; V275-P322 HydrophobicContact CG1-CG 3.52Å; V275-P332 HydrophobicContact CB-CB 4.28Å; V275-P332 HydrophobicContact CG1-CB 3.82Å
276V85.9Confident88.5Confident63 Ų6336.6 Ų36.638%0.38220%0.197SC..SBendtrans-132.6131.9-177.3-177.40000108.2W335V276-W335 PolarHBondContact O-NE1 2.84Å
277H83.9Confident88.3Confident26 Ų2638 Ų3812%0.1220%0.202CC..  trans-88.4134.3168.2-53-87.6000109.8E244 D279 S280 H288E244-H277 IonicContact OE1-NE2 2.69Å; E244-H277 IonicContact OE2-CE1 2.9Å; E244-H277 PolarHBondContact OE2-CE1 2.8Å; E244-H277 IonicContact OE2-NE2 3.96Å; E244-H277 PolarHBondContact OE2-NE2 2.78Å; H277-D279 PolarHBondContact O-N 3.29Å; H277-S280 PolarHBondContact O-N 3.47Å; H277-H288 AromaticContact CD2-CD2 3.54Å; H277-H288 AromaticContact CD2-NE2 3.64Å; H277-H288 AromaticContact CE1-CD2 3.84Å; H277-H288 AromaticContact CE1-CE1 3.8Å; H277-H288 AromaticContact CE1-ND1 3.97Å; H277-H288 AromaticContact CE1-NE2 3.75Å; H277-H288 AromaticContact CG-NE2 3.63Å; H277-H288 AromaticContact ND1-CE1 3.87Å; H277-H288 AromaticContact ND1-NE2 3.7Å; H277-H288 AromaticContact NE2-CD2 3.42Å; H277-H288 PolarHBondContact NE2-CD2 2.88Å; H277-H288 AromaticContact NE2-CG 3.78Å; H277-H288 AromaticContact NE2-NE2 3.73Å
278R73Confident88.1Confident118 Ų11839 Ų3945%0.44521%0.207SC..THydrogen-bonded Turntrans-59-33.5-179.2-69.1179.6172.5168.2-1.9112.8V171 T172 W335V171-R278 PolarHBondContact O-NH2 3.48Å; T172-R278 PolarHBondContact O-NH1 3.13Å; R278-W335 HydrophobicContact CG-CZ2 4.37Å
279D73.6Confident87.8Confident83 Ų8339.8 Ų39.844%0.44421%0.211SC..THydrogen-bonded Turntrans-120.737.9-177.4-57.6-21.9000113.3R201 H277 T281 R284R201-D279 IonicContact CZ-OD2 3.28Å; R201-D279 IonicContact NH1-OD2 3.05Å; R201-D279 PolarHBondContact NH1-OD2 3.09Å; R201-D279 IonicContact NH2-OD2 3.11Å; R201-D279 PolarHBondContact NH2-OD2 2.76Å; H277-D279 PolarHBondContact O-N 3.29Å; D279-T281 PolarHBondContact O-N 3.4Å; D279-R284 WeakPolarHBondContact O-CD 3.21Å; D279-R284 PolarHBondContact O-NH1 2.67Å
280S78.3Confident87.6Confident58 Ų5839.8 Ų39.841%0.40621%0.211SC..  trans-61.5128.5179.1164.60000111.1H277 D285H277-S280 PolarHBondContact O-N 3.47Å; S280-D285 VanDerWaalsContact OG-CG 3.24Å; S280-D285 PolarHBondContact OG-OD1 3.03Å; S280-D285 PolarHBondContact OG-OD2 2.73Å
281T84.9Confident87.4Confident58 Ų5839.8 Ų39.836%0.35621%0.211SC..  trans-128.5155.3168.565.30000108.1D279 A283 R284 D285D279-T281 PolarHBondContact O-N 3.4Å; T281-A283 PolarHBondContact O-N 3.25Å; T281-R284 PolarHBondContact O-N 2.85Å; T281-R284 WeakPolarHBondContact OG1-CG 3.03Å; T281-R284 PolarHBondContact OG1-N 3.45Å; T281-D285 VanDerWaalsContact O-CG 3.29Å; T281-D285 PolarHBondContact O-N 3.06Å
282P82.6Confident87.3Confident95 Ų9539.8 Ų39.862%0.61721%0.211SC*.THydrogen-bonded Turntrans-58.6-20.2179.3-25.734.3000114.5R286P282-R286 WeakPolarHBondContact O-CD 3.49Å; P282-R286 VanDerWaalsContact O-CG 3.28Å; P282-R286 WeakPolarHBondContact O-CG 3.37Å; P282-R286 PolarHBondContact O-NE 3.23Å
283A83.1Confident87.2Confident52 Ų5239.8 Ų39.843%0.4321%0.212SC..THydrogen-bonded Turntrans-77.2-46.5172.500000111.4T281 R286 Y287T281-A283 PolarHBondContact O-N 3.25Å; A283-R286 WeakPolarHBondContact O-CB 3.49Å; A283-R286 PolarHBondContact O-N 2.71Å; A283-Y287 PolarHBondContact O-N 2.93Å
284R85.9Confident87.3Confident51 Ų5140 Ų4019%0.19221%0.212CC..Hα-helixtrans-66.6-38.3177.4-74.2179.3171.6163.2-2.6113R201 E203 D279 T281 R286 Y287 H288R201-R284 VanDerWaalsContact NH1-NH1 3.19Å; E203-R284 IonicContact OE1-CZ 2.74Å; E203-R284 VanDerWaalsContact OE1-CZ 3.22Å; E203-R284 IonicContact OE1-NE 3.24Å; E203-R284 PolarHBondContact OE1-NE 3.21Å; E203-R284 IonicContact OE1-NH2 3.46Å; E203-R284 PolarHBondContact OE1-NH2 2.92Å; D279-R284 WeakPolarHBondContact O-CD 3.21Å; D279-R284 PolarHBondContact O-NH1 2.67Å; T281-R284 PolarHBondContact O-N 2.85Å; T281-R284 WeakPolarHBondContact OG1-CG 3.03Å; T281-R284 PolarHBondContact OG1-N 3.45Å; R284-R286 PolarHBondContact O-N 3.49Å; R284-R286 VanDerWaalsContact O-N 3.1Å; R284-Y287 CarbonylContact O-C 3.53Å; R284-Y287 WeakPolarHBondContact O-CA 3.29Å; R284-Y287 WeakPolarHBondContact O-CB 3.47Å; R284-Y287 PolarHBondContact O-N 3.32Å; R284-H288 PolarHBondContact O-CD2 2.83Å; R284-H288 VanDerWaalsContact O-CD2 3.26Å; R284-H288 VanDerWaalsContact O-CG 3.27Å; R284-H288 PolarHBondContact O-N 3.46Å
285D86.8Confident87.4Confident54 Ų5439.6 Ų39.629%0.28921%0.21SC..Hα-helixtrans-57.7-28.5174.7-63.6-20.2000112S280 T281 H288 L289S280-D285 VanDerWaalsContact OG-CG 3.24Å; S280-D285 PolarHBondContact OG-OD1 3.03Å; S280-D285 PolarHBondContact OG-OD2 2.73Å; T281-D285 VanDerWaalsContact O-CG 3.29Å; T281-D285 PolarHBondContact O-N 3.06Å; D285-H288 IonicContact OD1-CD2 3.24Å; D285-L289 PolarHBondContact O-N 3.35Å
286R87.4Confident87.8Confident92 Ų9239.3 Ų39.335%0.34721%0.208SC..Hα-helixtrans-74.6-40.9173.3-60.4156.5-173.8-164.66.1111.4P282 A283 R284 H288 L289 L290 F546P282-R286 WeakPolarHBondContact O-CD 3.49Å; P282-R286 VanDerWaalsContact O-CG 3.28Å; P282-R286 WeakPolarHBondContact O-CG 3.37Å; P282-R286 PolarHBondContact O-NE 3.23Å; A283-R286 WeakPolarHBondContact O-CB 3.49Å; A283-R286 PolarHBondContact O-N 2.71Å; R284-R286 PolarHBondContact O-N 3.49Å; R284-R286 VanDerWaalsContact O-N 3.1Å; R286-H288 VanDerWaalsContact C-N 3.29Å; R286-H288 PolarHBondContact O-N 3.06Å; R286-L289 PolarHBondContact O-N 3.49Å; R286-L290 VanDerWaalsContact O-CG 3.27Å; R286-L290 WeakPolarHBondContact O-CG 3.16Å; R286-L290 PolarHBondContact O-N 3.48Å; R286-F546 HydrophobicContact CB-CE1 4.48Å; R286-F546 HydrophobicContact CB-CE2 4.2Å; R286-F546 HydrophobicContact CB-CZ 3.99Å; R286-F546 VanDerWaalsContact CD-CE2 3.47Å; R286-F546 HydrophobicContact CG-CD2 4.49Å; R286-F546 HydrophobicContact CG-CE2 3.83Å; R286-F546 HydrophobicContact CG-CZ 4.09Å
287Y90.3Very high88.3Confident28 Ų2836.7 Ų36.711%0.1119%0.192CC..Hα-helixtrans-62.2-40.9173.6-63.5-10.1000110.9E203 T204 A283 R284 L289 L290 N291 A552 S554 F555E203-Y287 HydrophobicContact CB-CD2 4.14Å; T204-Y287 HydrophobicContact CG2-CD2 4.4Å; T204-Y287 HydrophobicContact CG2-CE2 4.3Å; A283-Y287 PolarHBondContact O-N 2.93Å; R284-Y287 CarbonylContact O-C 3.53Å; R284-Y287 WeakPolarHBondContact O-CA 3.29Å; R284-Y287 WeakPolarHBondContact O-CB 3.47Å; R284-Y287 PolarHBondContact O-N 3.32Å; Y287-L289 VanDerWaalsContact C-N 3.33Å; Y287-L289 PolarHBondContact O-N 3.44Å; Y287-L290 PolarHBondContact O-N 2.91Å; Y287-L290 VanDerWaalsContact O-N 3.17Å; Y287-N291 VanDerWaalsContact O-CB 3.28Å; Y287-N291 WeakPolarHBondContact O-CB 3.41Å; Y287-N291 PolarHBondContact O-N 2.81Å; Y287-N291 PolarHBondContact O-ND2 3.23Å; Y287-N291 VanDerWaalsContact O-ND2 3.15Å; Y287-A552 HydrophobicContact CE1-CB 3.88Å; Y287-S554 PolarHBondContact OH-OG 3.36Å; Y287-F555 HydrophobicContact CD1-CB 4.35Å; Y287-F555 AromaticContact CD1-CD2 3.66Å; Y287-F555 HydrophobicContact CD1-CD2 3.66Å; Y287-F555 HydrophobicContact CD1-CE2 4.47Å; Y287-F555 HydrophobicContact CD1-CG 4.42Å; Y287-F555 HydrophobicContact CE1-CB 3.96Å; Y287-F555 HydrophobicContact CE1-CD2 4.1Å; Y287-F555 HydrophobicContact CG-CD2 4.1Å
288H91.8Very high88.9Confident26 Ų2637 Ų3712%0.1220%0.195CC..Hα-helixtrans-54.4-48.1173.9-61.7-36.1000112E244 H277 R284 D285 R286 A292E244-H288 HydrophobicContact CB-CB 3.83Å; E244-H288 HydrophobicContact CG-CB 4.07Å; E244-H288 VanDerWaalsContact O-CA 3.24Å; E244-H288 WeakPolarHBondContact O-CA 3.39Å; E244-H288 PolarHBondContact O-ND1 2.98Å; H277-H288 AromaticContact CD2-CD2 3.54Å; H277-H288 AromaticContact CD2-NE2 3.64Å; H277-H288 AromaticContact CE1-CD2 3.84Å; H277-H288 AromaticContact CE1-CE1 3.8Å; H277-H288 AromaticContact CE1-ND1 3.97Å; H277-H288 AromaticContact CE1-NE2 3.75Å; H277-H288 AromaticContact CG-NE2 3.63Å; H277-H288 AromaticContact ND1-CE1 3.87Å; H277-H288 AromaticContact ND1-NE2 3.7Å; H277-H288 AromaticContact NE2-CD2 3.42Å; H277-H288 PolarHBondContact NE2-CD2 2.88Å; H277-H288 AromaticContact NE2-CG 3.78Å; H277-H288 AromaticContact NE2-NE2 3.73Å; R284-H288 PolarHBondContact O-CD2 2.83Å; R284-H288 VanDerWaalsContact O-CD2 3.26Å; R284-H288 VanDerWaalsContact O-CG 3.27Å; R284-H288 PolarHBondContact O-N 3.46Å; D285-H288 IonicContact OD1-CD2 3.24Å; R286-H288 VanDerWaalsContact C-N 3.29Å; R286-H288 PolarHBondContact O-N 3.06Å; H288-A292 WeakPolarHBondContact O-CB 3.24Å; H288-A292 PolarHBondContact O-N 2.68Å
289L92.1Very high90Very high18 Ų1831.4 Ų31.49%0.09417%0.174CC..Hα-helixtrans-61.4-46.4175.3177.967.5000113D285 R286 Y287 A292 A293 L315 L539 A542D285-L289 PolarHBondContact O-N 3.35Å; R286-L289 PolarHBondContact O-N 3.49Å; Y287-L289 VanDerWaalsContact C-N 3.33Å; Y287-L289 PolarHBondContact O-N 3.44Å; L289-A292 PolarHBondContact O-N 2.97Å; L289-A293 WeakPolarHBondContact O-CB 3.34Å; L289-A293 PolarHBondContact O-N 2.94Å; L289-L315 WeakPolarHBondContact CD1-O 3.48Å; L289-L539 HydrophobicContact CD1-CD1 3.78Å; L289-A542 HydrophobicContact CD1-CB 3.94Å; L289-A542 HydrophobicContact CD2-CB 3.83Å; L289-A542 HydrophobicContact CG-CB 4.45Å
290L92.8Very high91Very high0 Ų027.6 Ų27.60%015%0.154CC..Hα-helixtrans-67.2-44.5-178.1-65.9175.6000111.9R286 Y287 A292 A293 L294 A543 F546 V548 F555 Y565R286-L290 VanDerWaalsContact O-CG 3.27Å; R286-L290 WeakPolarHBondContact O-CG 3.16Å; R286-L290 PolarHBondContact O-N 3.48Å; Y287-L290 PolarHBondContact O-N 2.91Å; Y287-L290 VanDerWaalsContact O-N 3.17Å; L290-A292 VanDerWaalsContact C-N 3.33Å; L290-A293 PolarHBondContact O-N 2.92Å; L290-L294 WeakPolarHBondContact O-CG 3.33Å; L290-L294 PolarHBondContact O-N 3.4Å; L290-A543 HydrophobicContact CD2-CB 4.33Å; L290-F546 HydrophobicContact CD1-CD1 4Å; L290-F546 HydrophobicContact CD1-CE1 3.89Å; L290-F546 HydrophobicContact CD2-CD1 4.09Å; L290-F546 HydrophobicContact CG-CD1 4.39Å; L290-V548 HydrophobicContact CD1-CG1 4.39Å; L290-V548 HydrophobicContact CD1-CG2 4.18Å; L290-V548 HydrophobicContact CD2-CG2 4.14Å; L290-F555 HydrophobicContact CB-CD2 4.48Å; L290-F555 HydrophobicContact CB-CE1 4.13Å; L290-F555 HydrophobicContact CB-CE2 3.75Å; L290-F555 HydrophobicContact CB-CZ 3.54Å; L290-F555 HydrophobicContact CD1-CD1 4.05Å; L290-F555 HydrophobicContact CD1-CD2 4Å; L290-F555 HydrophobicContact CD1-CE1 4.15Å; L290-F555 HydrophobicContact CD1-CE2 4.09Å; L290-F555 HydrophobicContact CD1-CG 3.97Å; L290-F555 HydrophobicContact CD1-CZ 4.17Å; L290-Y565 HydrophobicContact CD2-CE2 3.99Å; L290-Y565 WeakPolarHBondContact CD2-OH 3.48Å
291N94.5Very high91.8Very high0 Ų026.8 Ų26.80%015%0.151CC..Hα-helixtrans-61.2-43.1175-68.3-25.8000110.6E203 F205 L243 E244 D245 A248 Y287 A293 L294 G295 F555E203-N291 PolarHBondContact O-ND2 3.06Å; F205-N291 WeakPolarHBondContact CB-OD1 3.5Å; F205-N291 PolarHBondContact N-OD1 3.3Å; L243-N291 CarbonylContact O-C 3.54Å; E244-N291 PolarHBondContact O-ND2 3.39Å; D245-N291 WeakPolarHBondContact CA-ND2 3.31Å; D245-N291 PolarHBondContact O-ND2 2.72Å; A248-N291 HydrophobicContact CB-CB 4.15Å; Y287-N291 VanDerWaalsContact O-CB 3.28Å; Y287-N291 WeakPolarHBondContact O-CB 3.41Å; Y287-N291 PolarHBondContact O-N 2.81Å; Y287-N291 PolarHBondContact O-ND2 3.23Å; Y287-N291 VanDerWaalsContact O-ND2 3.15Å; N291-A293 PolarHBondContact O-N 2.97Å; N291-L294 PolarHBondContact O-N 3.5Å; N291-G295 WeakPolarHBondContact O-CA 3.36Å; N291-G295 PolarHBondContact O-N 2.94Å; N291-F555 VanDerWaalsContact OD1-CE2 3.25Å; N291-F555 WeakPolarHBondContact OD1-CE2 3.5Å
292A95Very high92.3Very high0 Ų025.7 Ų25.70%014%0.142CC..Hα-helixtrans-64.2-40.3178.700000112.1L243 E244 H288 L289 L290 T296 L315 L539L243-A292 VanDerWaalsContact O-CA 3.24Å; L243-A292 WeakPolarHBondContact O-CA 3.49Å; L243-A292 PolarHBondContact O-N 2.88Å; E244-A292 HydrophobicContact CG-CB 4.46Å; H288-A292 WeakPolarHBondContact O-CB 3.24Å; H288-A292 PolarHBondContact O-N 2.68Å; L289-A292 PolarHBondContact O-N 2.97Å; L290-A292 VanDerWaalsContact C-N 3.33Å; A292-T296 WeakPolarHBondContact O-CB 3.39Å; A292-T296 PolarHBondContact O-N 3.49Å; A292-T296 PolarHBondContact O-OG1 2.85Å; A292-L315 HydrophobicContact CB-CB 4.17Å; A292-L315 HydrophobicContact CB-CD1 4.14Å; A292-L539 HydrophobicContact CB-CD1 4.45Å
293A95Very high93Very high1 Ų121.3 Ų21.31%0.00811%0.113CC..Hα-helixtrans-63.5-55.117600000111.4L289 L290 N291 G295 T296 V297 L539 A543 L572L289-A293 WeakPolarHBondContact O-CB 3.34Å; L289-A293 PolarHBondContact O-N 2.94Å; L290-A293 PolarHBondContact O-N 2.92Å; N291-A293 PolarHBondContact O-N 2.97Å; A293-G295 PolarHBondContact O-N 3.07Å; A293-T296 PolarHBondContact O-N 2.91Å; A293-V297 WeakPolarHBondContact O-CG2 3.37Å; A293-V297 PolarHBondContact O-N 3.39Å; A293-L539 HydrophobicContact CB-CD1 4.16Å; A293-L539 HydrophobicContact CB-CG 4.07Å; A293-A543 HydrophobicContact CB-CB 3.88Å; A293-L572 HydrophobicContact CB-CD2 4.13Å
294L95.4Very high93.6Very high3 Ų320.5 Ų20.52%0.01610%0.104CC..Hα-helixtrans-64.4-42.3-179.2-65.3176.7000112.3F205 L290 N291 T296 V297 N298 F555 P560 Y565 A568F205-L294 HydrophobicContact CB-CD1 3.92Å; F205-L294 HydrophobicContact CD1-CB 4.3Å; F205-L294 HydrophobicContact CD1-CD1 3.95Å; F205-L294 HydrophobicContact CD2-CB 3.65Å; F205-L294 HydrophobicContact CD2-CD1 4.31Å; F205-L294 HydrophobicContact CE1-CB 4.31Å; F205-L294 HydrophobicContact CE2-CB 3.68Å; F205-L294 HydrophobicContact CG-CB 3.98Å; F205-L294 HydrophobicContact CG-CD1 3.8Å; F205-L294 HydrophobicContact CZ-CB 4.03Å; L290-L294 WeakPolarHBondContact O-CG 3.33Å; L290-L294 PolarHBondContact O-N 3.4Å; N291-L294 PolarHBondContact O-N 3.5Å; L294-T296 PolarHBondContact O-N 2.9Å; L294-V297 PolarHBondContact O-N 3.05Å; L294-N298 WeakPolarHBondContact O-CB 3.09Å; L294-N298 PolarHBondContact O-N 2.99Å; L294-N298 PolarHBondContact O-ND2 3.28Å; L294-F555 HydrophobicContact CD1-CE1 4.07Å; L294-F555 HydrophobicContact CD1-CZ 4.09Å; L294-P560 HydrophobicContact CD1-CG 4.08Å; L294-Y565 HydrophobicContact CD1-CD2 4.16Å; L294-Y565 HydrophobicContact CD1-CE2 4.47Å; L294-Y565 HydrophobicContact CD2-CD2 3.95Å; L294-Y565 HydrophobicContact CD2-CE2 4.3Å; L294-Y565 HydrophobicContact CG-CD2 4.41Å; L294-Y565 HydrophobicContact CG-CE2 4.49Å; L294-A568 HydrophobicContact CD2-CB 3.55Å
295G95.8Very high94.1Very high0 Ų018.1 Ų18.10%010%0.095CC..Hα-helixtrans-63-41.3177.100000112.3N291 A293 V297 M299N291-G295 WeakPolarHBondContact O-CA 3.36Å; N291-G295 PolarHBondContact O-N 2.94Å; A293-G295 PolarHBondContact O-N 3.07Å; G295-V297 PolarHBondContact O-N 3.24Å; G295-M299 VanDerWaalsContact O-CB 3.22Å; G295-M299 WeakPolarHBondContact O-CB 3.13Å; G295-M299 WeakPolarHBondContact O-CE 3.29Å; G295-M299 PolarHBondContact O-N 3.34Å
296T95.7Very high94.6Very high0 Ų015.5 Ų15.50%08%0.082CC..Hα-helixtrans-61.1-45177.3-64.30000111.6A292 A293 L294 A300 F306 L536 L539 L572A292-T296 WeakPolarHBondContact O-CB 3.39Å; A292-T296 PolarHBondContact O-N 3.49Å; A292-T296 PolarHBondContact O-OG1 2.85Å; A293-T296 PolarHBondContact O-N 2.91Å; L294-T296 PolarHBondContact O-N 2.9Å; T296-A300 WeakPolarHBondContact O-CB 3.38Å; T296-A300 PolarHBondContact O-N 3.49Å; T296-A300 VanDerWaalsContact O-N 3.08Å; T296-F306 HydrophobicContact CG2-CD1 4.34Å; T296-F306 HydrophobicContact CG2-CE1 3.77Å; T296-L536 HydrophobicContact CG2-CD2 4.12Å; T296-L539 HydrophobicContact CG2-CD2 4.43Å; T296-L572 HydrophobicContact CG2-CD1 4.34Å
297V95.9Very high95Very high7 Ų711.1 Ų11.14%0.0427%0.065CC..Hα-helixtrans-65.2-56.1-179.71790000111.1A293 L294 G295 A300 A301 E571 L572A293-V297 WeakPolarHBondContact O-CG2 3.37Å; A293-V297 PolarHBondContact O-N 3.39Å; L294-V297 PolarHBondContact O-N 3.05Å; G295-V297 PolarHBondContact O-N 3.24Å; V297-A300 PolarHBondContact O-N 2.87Å; V297-A301 WeakPolarHBondContact O-CB 3.37Å; V297-A301 PolarHBondContact O-N 2.98Å; V297-E571 HydrophobicContact CG1-CB 3.77Å; V297-E571 WeakPolarHBondContact CG1-OE2 3.21Å; V297-L572 HydrophobicContact CG2-CB 3.38Å; V297-L572 HydrophobicContact CG2-CD1 3.64Å; V297-L572 HydrophobicContact CG2-CD2 4.19Å; V297-L572 HydrophobicContact CG2-CG 3.88Å
298N96.1Very high95.3Very high33 Ų339.9 Ų9.918%0.1766%0.06CC..Hα-helixtrans-67.1-45.4-172.7-70.1-52.5000111.7F205 S252 L294 A300 A301 H302F205-N298 HydrophobicContact CZ-CB 4.47Å; F205-N298 VanDerWaalsContact CZ-ND2 3.26Å; F205-N298 WeakPolarHBondContact CZ-ND2 3.47Å; S252-N298 WeakPolarHBondContact OG-CB 3.44Å; L294-N298 WeakPolarHBondContact O-CB 3.09Å; L294-N298 PolarHBondContact O-N 2.99Å; L294-N298 PolarHBondContact O-ND2 3.28Å; N298-A300 VanDerWaalsContact C-N 3.35Å; N298-A300 PolarHBondContact O-N 2.79Å; N298-A301 WeakPolarHBondContact O-CB 3.28Å; N298-A301 PolarHBondContact O-N 3.47Å; N298-H302 PolarHBondContact O-CD2 3.05Å; N298-H302 PolarHBondContact O-N 2.72Å; N298-H302 VanDerWaalsContact O-N 3.08Å
299M96.3Very high95.5Very high0 Ų08.8 Ų8.80%06%0.055CC..Hα-helixtrans-67.3-35.4176.8-72.4-178.9-89.100112.1C241 L243 T255 T269 G295 A301 H302 S303 F306C241-M299 HydrophobicContact CB-SD 3.91Å; L243-M299 HydrophobicContact CD2-CE 3.23Å; L243-M299 HydrophobicContact CD2-SD 4.36Å; T255-M299 HydrophobicContact CG2-CG 4.26Å; T269-M299 HydrophobicContact CG2-CB 4.26Å; T269-M299 HydrophobicContact CG2-CG 4.43Å; T269-M299 HydrophobicContact CG2-SD 3.88Å; G295-M299 VanDerWaalsContact O-CB 3.22Å; G295-M299 WeakPolarHBondContact O-CB 3.13Å; G295-M299 WeakPolarHBondContact O-CE 3.29Å; G295-M299 PolarHBondContact O-N 3.34Å; M299-A301 VanDerWaalsContact C-N 3.34Å; M299-H302 PolarHBondContact O-N 2.9Å; M299-S303 WeakPolarHBondContact O-CB 3.34Å; M299-S303 PolarHBondContact O-N 3.46Å; M299-S303 PolarHBondContact O-OG 2.88Å; M299-F306 HydrophobicContact CB-CD2 3.77Å; M299-F306 HydrophobicContact CB-CE2 3.88Å; M299-F306 HydrophobicContact CE-CE2 4.3Å; M299-F306 HydrophobicContact SD-CE2 4.24Å
300A96.1Very high95.6Very high3 Ų38 Ų83%0.0255%0.051CC..Hα-helixtrans-65.6-37.917300000111.7T296 V297 N298 H302 F306 K375 V376 L575T296-A300 WeakPolarHBondContact O-CB 3.38Å; T296-A300 PolarHBondContact O-N 3.49Å; T296-A300 VanDerWaalsContact O-N 3.08Å; V297-A300 PolarHBondContact O-N 2.87Å; N298-A300 VanDerWaalsContact C-N 3.35Å; N298-A300 PolarHBondContact O-N 2.79Å; A300-H302 PolarHBondContact O-N 3.05Å; A300-F306 HydrophobicContact CB-CB 4.03Å; A300-F306 HydrophobicContact CB-CD1 4.42Å; A300-F306 HydrophobicContact CB-CG 4.32Å; A300-K375 WeakPolarHBondContact O-CD 3.38Å; A300-V376 HydrophobicContact CB-CG2 3.91Å; A300-L575 HydrophobicContact CB-CD2 4.19Å
301A95.3Very high95.5Very high42 Ų428 Ų835%0.3475%0.051SC..Hα-helixtrans-61.2-4417700000111.7V297 N298 M299 K375V297-A301 WeakPolarHBondContact O-CB 3.37Å; V297-A301 PolarHBondContact O-N 2.98Å; N298-A301 WeakPolarHBondContact O-CB 3.28Å; N298-A301 PolarHBondContact O-N 3.47Å; M299-A301 VanDerWaalsContact C-N 3.34Å; A301-K375 PolarHBondContact O-NZ 3.1Å
302H95.5Very high95.1Very high35 Ų3510.4 Ų10.416%0.1626%0.06CC..Hα-helixtrans-90.7-17-173.2-51.4-33.6000115.3Q259 N298 M299 A300Q259-H302 HydrophobicContact CB-CB 4.32Å; Q259-H302 PolarHBondContact OE1-ND1 2.94Å; N298-H302 PolarHBondContact O-CD2 3.05Å; N298-H302 PolarHBondContact O-N 2.72Å; N298-H302 VanDerWaalsContact O-N 3.08Å; M299-H302 PolarHBondContact O-N 2.9Å; A300-H302 PolarHBondContact O-N 3.05Å
303S96.5Very high94.2Very high2 Ų211 Ų111%0.0147%0.066CC..SBendtrans-87.8161.3178.4-53.90000112.1T269 M299 L305 K375T269-S303 VanDerWaalsContact CB-OG 3.3Å; T269-S303 WeakPolarHBondContact CB-OG 3.16Å; T269-S303 PolarHBondContact OG1-OG 3.48Å; M299-S303 WeakPolarHBondContact O-CB 3.34Å; M299-S303 PolarHBondContact O-N 3.46Å; M299-S303 PolarHBondContact O-OG 2.88Å; S303-L305 VanDerWaalsContact C-N 3.35Å; S303-L305 WeakPolarHBondContact CB-O 3.38Å; S303-K375 WeakPolarHBondContact O-CD 3.48Å; S303-K375 PolarHBondContact O-NZ 2.69Å
304S95.6Very high93.7Very high35 Ų3511.3 Ų11.325%0.2457%0.07CC..SBendtrans-74.1-33.5164.8-48.20000110.8I267I267-S304 PolarHBondContact N-OG 3.43Å; I267-S304 WeakPolarHBondContact O-CB 3.01Å; I267-S304 PolarHBondContact O-N 3.17Å
305L95.4Very high93Very high1 Ų111.3 Ų11.31%0.0057%0.07CC..EExtended strand (participates in β ladder)trans-152.5137.1178.2175.2136.6000109.6I267 L268 T269 W270 S303 A366 L369 K375 V377I267-L305 PolarHBondContact O-N 2.58Å; L268-L305 HydrophobicContact CD2-CB 3.77Å; L268-L305 HydrophobicContact CD2-CD2 4.22Å; T269-L305 PolarHBondContact N-O 3.04Å; W270-L305 HydrophobicContact CH2-CD2 4.38Å; S303-L305 VanDerWaalsContact C-N 3.35Å; S303-L305 WeakPolarHBondContact CB-O 3.38Å; L305-A366 HydrophobicContact CB-CB 4.06Å; L305-L369 HydrophobicContact CD1-CB 3.81Å; L305-L369 HydrophobicContact CD1-CD1 3.6Å; L305-L369 HydrophobicContact CD1-CG 4.34Å; L305-K375 WeakPolarHBondContact CA-O 3.45Å; L305-V377 HydrophobicContact CD1-CB 4.35Å; L305-V377 HydrophobicContact CD1-CG1 3.55Å; L305-V377 HydrophobicContact CD1-CG2 3.86Å; L305-V377 HydrophobicContact CD2-CG2 3.76Å; L305-V377 HydrophobicContact CG-CG1 4.04Å; L305-V377 HydrophobicContact CG-CG2 3.79Å
306F97.3Very high92Very high0 Ų011.8 Ų11.80%07%0.074CC..EExtended strand (participates in β ladder)trans-123.9130177.4174.4-97.7000110.5L243 T269 T296 M299 A300 P308 K375 V376 V377L243-F306 HydrophobicContact CD1-CZ 3.93Å; L243-F306 HydrophobicContact CD2-CE2 3.99Å; L243-F306 HydrophobicContact CD2-CZ 3.81Å; T269-F306 HydrophobicContact CG2-CD2 3.86Å; T269-F306 HydrophobicContact CG2-CE2 4.25Å; T269-F306 CarbonylContact O-C 3.5Å; T269-F306 WeakPolarHBondContact O-CA 3.31Å; T296-F306 HydrophobicContact CG2-CD1 4.34Å; T296-F306 HydrophobicContact CG2-CE1 3.77Å; M299-F306 HydrophobicContact CB-CD2 3.77Å; M299-F306 HydrophobicContact CB-CE2 3.88Å; M299-F306 HydrophobicContact CE-CE2 4.3Å; M299-F306 HydrophobicContact SD-CE2 4.24Å; A300-F306 HydrophobicContact CB-CB 4.03Å; A300-F306 HydrophobicContact CB-CD1 4.42Å; A300-F306 HydrophobicContact CB-CG 4.32Å; F306-P308 HydrophobicContact CE1-CB 4.02Å; F306-P308 HydrophobicContact CE1-CG 4.22Å; F306-P308 HydrophobicContact CZ-CB 4.3Å; F306-K375 PolarHBondContact N-O 2.62Å; F306-V376 HydrophobicContact CD1-CG1 4.28Å; F306-V376 HydrophobicContact CD1-CG2 4.26Å; F306-V376 CarbonylContact O-C 3.58Å; F306-V376 VanDerWaalsContact O-CA 3.31Å; F306-V376 WeakPolarHBondContact O-CA 3.43Å; F306-V377 PolarHBondContact O-N 3.49Å
307C97.1Very high90.6Very high0 Ų014.4 Ų14.40%010%0.101CC..EExtended strand (participates in β ladder)trans-130117.3177.3-172.20000111.1T269 W270 G271 L309 V377T269-C307 PolarHBondContact O-N 3.24Å; W270-C307 CarbonylContact C-O 3.46Å; W270-C307 WeakPolarHBondContact CA-O 3.21Å; W270-C307 HydrophobicContact CE3-CB 3.53Å; W270-C307 HydrophobicContact CZ3-CB 3.55Å; G271-C307 PolarHBondContact N-O 2.77Å; C307-L309 PolarHBondContact O-N 3.2Å; C307-V377 HydrophobicContact CB-CG2 3.65Å; C307-V377 PolarHBondContact SG-O 2.82Å
308P95.9Very high89.4Confident1 Ų125 Ų251%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-83.291.9177.931.8-32.2000110.9L243 G271 F306 L315 V377 S410 A411 F535L243-P308 HydrophobicContact CD1-CB 3.91Å; G271-P308 CarbonylContact O-C 3.51Å; G271-P308 VanDerWaalsContact O-CA 3.31Å; G271-P308 WeakPolarHBondContact O-CA 3.38Å; F306-P308 HydrophobicContact CE1-CB 4.02Å; F306-P308 HydrophobicContact CE1-CG 4.22Å; F306-P308 HydrophobicContact CZ-CB 4.3Å; P308-L315 HydrophobicContact CB-CD1 4.14Å; P308-V377 WeakPolarHBondContact CD-O 3.25Å; P308-S410 CarbonylContact O-C 3.55Å; P308-S410 WeakPolarHBondContact O-CA 3.35Å; P308-S410 WeakPolarHBondContact O-CB 3.36Å; P308-A411 HydrophobicContact CB-CB 4.27Å; P308-A411 HydrophobicContact CG-CB 4.31Å; P308-A411 PolarHBondContact O-N 3.01Å; P308-F535 HydrophobicContact CG-CE1 4.06Å; P308-F535 HydrophobicContact CG-CZ 4.17Å
309L96.1Very high88.3Confident4 Ų425.3 Ų25.32%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-77.7120.3177.6-62.7-176000112.5W270 G271 V272 A273 C307 L342 L346 A379 L409W270-L309 HydrophobicContact CB-CD1 4.01Å; W270-L309 HydrophobicContact CD2-CD1 4.35Å; W270-L309 HydrophobicContact CE3-CD1 3.87Å; W270-L309 HydrophobicContact CE3-CD2 4.36Å; W270-L309 HydrophobicContact CE3-CG 4.14Å; W270-L309 HydrophobicContact CG-CD1 4.43Å; G271-L309 PolarHBondContact O-N 3.11Å; V272-L309 VanDerWaalsContact CA-O 3.29Å; V272-L309 WeakPolarHBondContact CA-O 3.3Å; V272-L309 HydrophobicContact CG1-CB 4.11Å; A273-L309 PolarHBondContact N-O 3.36Å; A273-L309 VanDerWaalsContact N-O 3.07Å; C307-L309 PolarHBondContact O-N 3.2Å; L309-L342 HydrophobicContact CB-CD2 4.37Å; L309-L346 HydrophobicContact CD1-CD1 4.37Å; L309-A379 HydrophobicContact CD2-CB 3.6Å; L309-L409 CarbonylContact C-O 3.17Å; L309-L409 WeakPolarHBondContact CA-O 3.12Å
310T94.2Very high87.6Confident1 Ų128.6 Ų28.61%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-161.3149173.2-175.80000111.1A273 R312 L315 L409 A411A273-T310 WeakPolarHBondContact O-CB 3.47Å; A273-T310 PolarHBondContact O-OG1 2.81Å; T310-R312 VanDerWaalsContact C-N 3.35Å; T310-R312 HydrophobicContact CG2-CB 4.39Å; T310-R312 VanDerWaalsContact OG1-CB 3.24Å; T310-R312 WeakPolarHBondContact OG1-CB 3.39Å; T310-R312 PolarHBondContact OG1-N 2.96Å; T310-L315 HydrophobicContact CG2-CD2 4.32Å; T310-L409 PolarHBondContact N-O 2.95Å; T310-L409 CarbonylContact O-C 3.49Å; T310-L409 VanDerWaalsContact O-O 3.08Å; T310-A411 HydrophobicContact CG2-CB 3.72Å
311L91.6Very high86.9Confident0 Ų033.9 Ų33.90%020%0.2CC..SBendtrans-945.4168.6-51.8178.9000111.8V275 G313 P322 P323 F325 Y330 I341 L342 L409V275-L311 HydrophobicContact CG2-CB 3.59Å; L311-G313 PolarHBondContact O-N 3Å; L311-P322 VanDerWaalsContact O-CA 3.26Å; L311-P322 WeakPolarHBondContact O-CA 3.36Å; L311-P322 VanDerWaalsContact O-CB 3.28Å; L311-P322 WeakPolarHBondContact O-CB 3.43Å; L311-P323 WeakPolarHBondContact O-CD 3.41Å; L311-F325 HydrophobicContact CD2-CE2 4.08Å; L311-F325 HydrophobicContact CD2-CZ 4.13Å; L311-Y330 HydrophobicContact CD1-CE2 4.1Å; L311-I341 HydrophobicContact CD1-CB 4.08Å; L311-I341 HydrophobicContact CD1-CD1 3.96Å; L311-I341 HydrophobicContact CD1-CG2 4.21Å; L311-I341 HydrophobicContact CD2-CG2 4.31Å; L311-L342 HydrophobicContact CD2-CD2 3.82Å; L311-L342 HydrophobicContact CG-CD2 4.07Å; L311-L342 HydrophobicContact CG-CG 4.3Å; L311-L409 HydrophobicContact CD2-CD2 3.85Å
312R85.4Confident86.4Confident50 Ų5033.8 Ų33.819%0.18920%0.196CC..SBendtrans-74.9-10.2178-166.3170.1163.595.4-2.8112.6V275 T310 G314 P319 P320V275-R312 PolarHBondContact O-NH1 2.77Å; T310-R312 VanDerWaalsContact C-N 3.35Å; T310-R312 HydrophobicContact CG2-CB 4.39Å; T310-R312 VanDerWaalsContact OG1-CB 3.24Å; T310-R312 WeakPolarHBondContact OG1-CB 3.39Å; T310-R312 PolarHBondContact OG1-N 2.96Å; R312-G314 PolarHBondContact O-N 2.91Å; R312-P319 HydrophobicContact CG-CB 3.8Å; R312-P319 HydrophobicContact CG-CG 3.63Å; R312-P319 WeakPolarHBondContact O-CB 3.43Å; R312-P320 VanDerWaalsContact O-O 3.06Å
313G76.5Confident85.9Confident12 Ų1232.9 Ų32.912%0.12419%0.193CC..SBendtrans73.11.2-179.500000114.8L311 P320L311-G313 PolarHBondContact O-N 3Å; G313-P320 WeakPolarHBondContact O-CD 3.34Å; G313-P320 VanDerWaalsContact O-CG 3.24Å; G313-P320 WeakPolarHBondContact O-CG 3.48Å
314G83.3Confident85.4Confident8 Ų839.8 Ų39.88%0.08223%0.229CC..  trans172.9160.6175.700000112R312 A411R312-G314 PolarHBondContact O-N 2.91Å; G314-A411 WeakPolarHBondContact CA-O 3.23Å
315L81.1Confident85.1Confident4 Ų438.6 Ų38.62%0.02122%0.219CC..SBendtrans-102.73.2173.5-60.6175.2000112.5L243 E244 A273 L289 A292 P308 T310 A411 F535 L539L243-L315 HydrophobicContact CD1-CD1 3.82Å; E244-L315 HydrophobicContact CG-CD2 4.48Å; A273-L315 HydrophobicContact CB-CD2 3.57Å; L289-L315 WeakPolarHBondContact CD1-O 3.48Å; A292-L315 HydrophobicContact CB-CB 4.17Å; A292-L315 HydrophobicContact CB-CD1 4.14Å; P308-L315 HydrophobicContact CB-CD1 4.14Å; T310-L315 HydrophobicContact CG2-CD2 4.32Å; L315-A411 HydrophobicContact CD1-CB 4.13Å; L315-A411 HydrophobicContact CG-CB 3.72Å; L315-F535 HydrophobicContact CB-CE2 4.31Å; L315-F535 HydrophobicContact CD1-CE2 4.44Å; L315-F535 HydrophobicContact CD1-CZ 4.11Å; L315-F535 HydrophobicContact CG-CE2 4.39Å; L315-L539 HydrophobicContact CB-CD1 4.32Å
316G74.8Confident84.6Confident9 Ų943.9 Ų43.99%0.09325%0.253CS..SBendtrans-73.5167.6178.700000113.1R318G316-R318 PolarHBondContact O-N 2.88Å
317G66.9Low84.3Confident55 Ų5544.6 Ų44.657%0.56726%0.257SS*.SBendtrans-64.1-14.4-176.600000115.5
318R71.1Confident84.1Confident230 Ų23045.5 Ų45.587%0.86826%0.262SS*.SBendtrans-140.881.9174-69.1-173.9-179.3179.50.3110.2G316G316-R318 PolarHBondContact O-N 2.88Å
319P73.4Confident83.9Confident39 Ų3949.9 Ų49.925%0.25329%0.293SS..PPolyproline II helixtrans-67.7152.2-178.518.8000111.6R312R312-P319 HydrophobicContact CG-CB 3.8Å; R312-P319 HydrophobicContact CG-CG 3.63Å; R312-P319 WeakPolarHBondContact O-CB 3.43Å
320P79.6Confident83.6Confident70 Ų7051.3 Ų51.346%0.45530%0.298SS..PPolyproline II helixtrans-62.7165166.329.2-33.6000110.9R312 G313R312-P320 VanDerWaalsContact O-O 3.06Å; G313-P320 WeakPolarHBondContact O-CD 3.34Å; G313-P320 VanDerWaalsContact O-CG 3.24Å; G313-P320 WeakPolarHBondContact O-CG 3.48Å
321P82.3Confident83.5Confident113 Ų11354.8 Ų54.873%0.73432%0.317SS*.PPolyproline II helixtrans-60.1150.7175.626-34.8000111.4
322P84.4Confident83.3Confident41 Ų4156.9 Ų56.927%0.26633%0.33SS..PPolyproline II helixtrans-53.4145.6176.4-27.936.1000112.6V275 L311 L324 P332V275-P322 HydrophobicContact CG1-CB 4.34Å; V275-P322 HydrophobicContact CG1-CG 3.52Å; L311-P322 VanDerWaalsContact O-CA 3.26Å; L311-P322 WeakPolarHBondContact O-CA 3.36Å; L311-P322 VanDerWaalsContact O-CB 3.28Å; L311-P322 WeakPolarHBondContact O-CB 3.43Å; P322-L324 PolarHBondContact O-N 3.2Å; P322-P332 HydrophobicContact CG-CB 4.33Å
323P84.4Confident83.5Confident16 Ų1656.9 Ų56.910%0.10434%0.341CS..PPolyproline II helixtrans-64138177.726.5-29.6000110.2L311 F325 Y330 K407 P408L311-P323 WeakPolarHBondContact O-CD 3.41Å; P323-F325 HydrophobicContact CB-CE2 4.45Å; P323-F325 HydrophobicContact CG-CE2 4.04Å; P323-F325 HydrophobicContact CG-CZ 4.31Å; P323-Y330 PolarHBondContact O-OH 3.26Å; P323-Y330 VanDerWaalsContact O-OH 3.14Å; P323-K407 HydrophobicContact CB-CB 4.24Å; P323-P408 HydrophobicContact CB-CG 4.14Å; P323-P408 HydrophobicContact CG-CG 4.46Å; P323-P408 WeakPolarHBondContact CG-O 3.25Å
324L86.1Confident84.2Confident146 Ų14658.2 Ų58.276%0.76435%0.345SS*.PPolyproline II helixtrans-91.5117.3174.8-63.6175.6000109.2P322P322-L324 PolarHBondContact O-N 3.2Å
325F89.4Confident84.7Confident11 Ų1159.2 Ų59.25%0.04835%0.346CS..PPolyproline II helixtrans-89.1121.8173.4-66.3-87.6000108.8L311 P323 L327 L328 Y330 I341 K407 L409L311-F325 HydrophobicContact CD2-CE2 4.08Å; L311-F325 HydrophobicContact CD2-CZ 4.13Å; P323-F325 HydrophobicContact CB-CE2 4.45Å; P323-F325 HydrophobicContact CG-CE2 4.04Å; P323-F325 HydrophobicContact CG-CZ 4.31Å; F325-L327 PolarHBondContact O-N 3.33Å; F325-L327 VanDerWaalsContact O-N 3.13Å; F325-L328 HydrophobicContact CB-CB 3.9Å; F325-L328 HydrophobicContact CB-CD1 3.83Å; F325-L328 HydrophobicContact CB-CG 3.92Å; F325-L328 HydrophobicContact CD1-CD1 4.46Å; F325-L328 HydrophobicContact CD2-CD1 4.24Å; F325-L328 HydrophobicContact CG-CD1 3.93Å; F325-L328 PolarHBondContact O-N 2.72Å; F325-Y330 AromaticContact CD2-CE1 3.87Å; F325-Y330 HydrophobicContact CD2-CE1 3.87Å; F325-Y330 HydrophobicContact CE2-CE1 4.43Å; F325-I341 HydrophobicContact CE2-CG2 4.18Å; F325-I341 HydrophobicContact CZ-CG2 4.13Å; F325-K407 HydrophobicContact CD1-CB 4.11Å; F325-K407 HydrophobicContact CD1-CG 4.19Å; F325-K407 HydrophobicContact CE1-CB 3.67Å; F325-K407 HydrophobicContact CE1-CG 4.27Å; F325-K407 HydrophobicContact CZ-CB 4.1Å; F325-L409 HydrophobicContact CE1-CD2 4.14Å; F325-L409 HydrophobicContact CZ-CD2 3.69Å
326P86.3Confident85.4Confident111 Ų11159.4 Ų59.472%0.72135%0.347SS*.THydrogen-bonded Turntrans-59.4-29-174-26.434.4000114.7
327L90.6Very high86.3Confident16 Ų1659.6 Ų59.68%0.08435%0.345CS..THydrogen-bonded Turntrans-1076.1-172.5-64.1175.4000113.5F325 P384 P386 S492 L495 M501F325-L327 PolarHBondContact O-N 3.33Å; F325-L327 VanDerWaalsContact O-N 3.13Å; L327-P384 HydrophobicContact CB-CG 3.8Å; L327-P384 HydrophobicContact CD1-CG 3.96Å; L327-P386 HydrophobicContact CD1-CB 3.95Å; L327-S492 WeakPolarHBondContact O-CB 3.49Å; L327-S492 PolarHBondContact O-N 3.3Å; L327-L495 HydrophobicContact CB-CD1 4.25Å; L327-L495 HydrophobicContact CD1-CD2 4.22Å; L327-L495 HydrophobicContact CD2-CD2 4.19Å; L327-M501 HydrophobicContact CD1-CG 4.26Å; L327-M501 HydrophobicContact CD1-SD 4.28Å; L327-M501 HydrophobicContact CD2-CG 4.19Å; L327-M501 HydrophobicContact CD2-SD 4.1Å
328L92.4Very high87.6Confident18 Ų1857 Ų579%0.09432%0.318CS..BIsolated β-bridgetrans-119.2140.3178.1-58.1179000111.9F325 Y330 I341 V383 I490 F491F325-L328 HydrophobicContact CB-CB 3.9Å; F325-L328 HydrophobicContact CB-CD1 3.83Å; F325-L328 HydrophobicContact CB-CG 3.92Å; F325-L328 HydrophobicContact CD1-CD1 4.46Å; F325-L328 HydrophobicContact CD2-CD1 4.24Å; F325-L328 HydrophobicContact CG-CD1 3.93Å; F325-L328 PolarHBondContact O-N 2.72Å; L328-Y330 HydrophobicContact CB-CD1 4.43Å; L328-I341 HydrophobicContact CD1-CD1 3.74Å; L328-I341 HydrophobicContact CD1-CG1 3.84Å; L328-I341 HydrophobicContact CD1-CG2 4.4Å; L328-V383 WeakPolarHBondContact CD1-O 3.47Å; L328-V383 VanDerWaalsContact CG-O 3.25Å; L328-V383 WeakPolarHBondContact CG-O 3.18Å; L328-I490 CarbonylContact C-O 3.01Å; L328-I490 VanDerWaalsContact CA-O 3.3Å; L328-I490 WeakPolarHBondContact CA-O 3.35Å; L328-I490 HydrophobicContact CD2-CD1 4.47Å; L328-I490 HydrophobicContact CD2-CG1 4.37Å; L328-F491 HydrophobicContact CD2-CD1 3.51Å; L328-F491 HydrophobicContact CD2-CE1 3.61Å; L328-F491 HydrophobicContact CD2-CG 4.48Å
329S91.3Very high88.8Confident94 Ų9446 Ų4666%0.65728%0.277SS*.  trans-116.184.6168.2-167.10000108.4I490S329-I490 PolarHBondContact N-O 2.8Å
330Y91.4Very high89.9Confident34 Ų3444.1 Ų44.113%0.13327%0.265CS..  trans-112.5159.5-177.783.6-82.8000111.5L311 P323 F325 L328 P332 H337 I341L311-Y330 HydrophobicContact CD1-CE2 4.1Å; P323-Y330 PolarHBondContact O-OH 3.26Å; P323-Y330 VanDerWaalsContact O-OH 3.14Å; F325-Y330 AromaticContact CD2-CE1 3.87Å; F325-Y330 HydrophobicContact CD2-CE1 3.87Å; F325-Y330 HydrophobicContact CE2-CE1 4.43Å; L328-Y330 HydrophobicContact CB-CD1 4.43Å; Y330-P332 HydrophobicContact CE2-CB 4.02Å; Y330-H337 HydrophobicContact CD2-CB 4.49Å; Y330-I341 HydrophobicContact CD1-CD1 3.63Å; Y330-I341 HydrophobicContact CD2-CD1 3.74Å; Y330-I341 HydrophobicContact CE1-CD1 4Å; Y330-I341 HydrophobicContact CE2-CD1 4.09Å; Y330-I341 HydrophobicContact CG-CD1 3.49Å; Y330-I341 VanDerWaalsContact CG-CD1 3.49Å
331N91.3Very high90.6Very high73 Ų7340.8 Ų40.839%0.3924%0.243SC..  trans-108.1112.8177-179.4-6.5000108A333 L334 H337N331-A333 PolarHBondContact O-N 2.77Å; N331-A333 WeakPolarHBondContact OD1-CB 3.49Å; N331-A333 PolarHBondContact OD1-N 3.35Å; N331-L334 HydrophobicContact CB-CD1 4.13Å; N331-L334 HydrophobicContact CB-CG 4.26Å; N331-L334 PolarHBondContact O-N 2.81Å; N331-H337 PolarHBondContact N-ND1 3.17Å
332P87.4Confident91.3Very high45 Ų4535.5 Ų35.529%0.29221%0.208SC..THydrogen-bonded Turntrans-65.4-19.5-177.625.3-33.4000113.8V275 P322 Y330 L334V275-P332 HydrophobicContact CB-CB 4.28Å; V275-P332 HydrophobicContact CG1-CB 3.82Å; P322-P332 HydrophobicContact CG-CB 4.33Å; Y330-P332 HydrophobicContact CE2-CB 4.02Å; P332-L334 VanDerWaalsContact C-N 3.3Å
333A89Confident91.9Very high49 Ų4933.5 Ų33.541%0.40520%0.196SC..THydrogen-bonded Turntrans-76-18.4177.700000113.3N331N331-A333 PolarHBondContact O-N 2.77Å; N331-A333 WeakPolarHBondContact OD1-CB 3.49Å; N331-A333 PolarHBondContact OD1-N 3.35Å
334L92.1Very high92.5Very high41 Ų4132.8 Ų32.822%0.21519%0.191CC..  trans-95.1112.9179-64.6177.3000109.7E168 N331 P332 Y336 H337 S338E168-L334 HydrophobicContact CB-CD1 3.88Å; E168-L334 HydrophobicContact CG-CD1 4.22Å; N331-L334 HydrophobicContact CB-CD1 4.13Å; N331-L334 HydrophobicContact CB-CG 4.26Å; N331-L334 PolarHBondContact O-N 2.81Å; P332-L334 VanDerWaalsContact C-N 3.3Å; L334-Y336 PolarHBondContact O-N 3.12Å; L334-H337 HydrophobicContact CB-CB 4.28Å; L334-H337 PolarHBondContact O-N 3.41Å; L334-S338 PolarHBondContact O-N 3.04Å; L334-S338 VanDerWaalsContact O-N 3.11Å
335W93.6Very high93Very high29 Ų2925.9 Ų25.911%0.1116%0.155CC..Hα-helixtrans-55.8-33.6174-67.8-7.4000112.2H15 Y16 F19 P274 V276 R278 H337 S338 S339H15-W335 AromaticContact CD2-CZ3 3.69Å; Y16-W335 HydrophobicContact CD2-CB 4.16Å; Y16-W335 HydrophobicContact CD2-CD2 4.17Å; Y16-W335 AromaticContact CD2-CG 3.97Å; Y16-W335 HydrophobicContact CD2-CG 3.97Å; Y16-W335 HydrophobicContact CE2-CB 4.09Å; Y16-W335 HydrophobicContact CE2-CG 4.09Å; F19-W335 HydrophobicContact CD1-CB 4.19Å; F19-W335 HydrophobicContact CE1-CB 4.2Å; F19-W335 HydrophobicContact CE2-CE3 4.29Å; P274-W335 HydrophobicContact CB-CZ2 4.39Å; P274-W335 HydrophobicContact CG-CZ2 4.39Å; V276-W335 PolarHBondContact O-NE1 2.84Å; R278-W335 HydrophobicContact CG-CZ2 4.37Å; W335-H337 VanDerWaalsContact C-N 3.26Å; W335-H337 PolarHBondContact O-N 2.97Å; W335-S338 PolarHBondContact O-N 2.99Å; W335-S338 PolarHBondContact O-OG 3.48Å; W335-S339 WeakPolarHBondContact O-CB 3.47Å; W335-S339 PolarHBondContact O-N 3.3Å; W335-S339 PolarHBondContact O-OG 3.2Å
336Y94.8Very high93.3Very high7 Ų725.4 Ų25.43%0.02715%0.153CC..Hα-helixtrans-57.1-35.7173.7-173.5-122.9000113.6H23 L167 V171 F177 L334 A340 P486 P488H23-Y336 AromaticContact CE1-CD2 3.62Å; H23-Y336 AromaticContact CE1-CE2 3.31Å; H23-Y336 WeakPolarHBondContact CE1-CE2 3.37Å; H23-Y336 AromaticContact NE2-CD2 3.33Å; H23-Y336 VanDerWaalsContact NE2-CD2 3.33Å; H23-Y336 WeakPolarHBondContact NE2-CD2 3.37Å; H23-Y336 AromaticContact NE2-CE2 3.52Å; H23-Y336 PolarHBondContact NE2-O 3.19Å; H23-Y336 VanDerWaalsContact NE2-O 3.17Å; L167-Y336 HydrophobicContact CB-CE1 4.09Å; V171-Y336 HydrophobicContact CG1-CD2 4.13Å; V171-Y336 HydrophobicContact CG1-CG 4.36Å; V171-Y336 HydrophobicContact CG2-CD2 4.32Å; V171-Y336 HydrophobicContact CG2-CE2 4.4Å; F177-Y336 HydrophobicContact CB-CE2 4.04Å; F177-Y336 AromaticContact CD1-CD2 3.9Å; F177-Y336 HydrophobicContact CD1-CD2 3.9Å; F177-Y336 AromaticContact CD1-CE2 3.83Å; F177-Y336 HydrophobicContact CD1-CE2 3.83Å; F177-Y336 HydrophobicContact CD2-CD2 4.41Å; F177-Y336 AromaticContact CD2-CE2 3.83Å; F177-Y336 HydrophobicContact CD2-CE2 3.83Å; F177-Y336 AromaticContact CE1-CD2 3.9Å; F177-Y336 HydrophobicContact CE1-CD2 3.9Å; F177-Y336 HydrophobicContact CE1-CE2 4.21Å; F177-Y336 HydrophobicContact CE2-CD2 4.41Å; F177-Y336 HydrophobicContact CE2-CE2 4.2Å; F177-Y336 HydrophobicContact CG-CD2 4.16Å; F177-Y336 AromaticContact CG-CE2 3.62Å; F177-Y336 HydrophobicContact CG-CE2 3.62Å; F177-Y336 HydrophobicContact CZ-CD2 4.17Å; F177-Y336 HydrophobicContact CZ-CE2 4.39Å; L334-Y336 PolarHBondContact O-N 3.12Å; Y336-A340 WeakPolarHBondContact O-CB 3.45Å; Y336-P486 PolarHBondContact OH-O 3.23Å; Y336-P488 HydrophobicContact CD1-CB 4.16Å; Y336-P488 HydrophobicContact CD1-CG 4.48Å; Y336-P488 HydrophobicContact CE1-CB 3.66Å; Y336-P488 HydrophobicContact CE1-CG 4.12Å
337H94.4Very high93.7Very high13 Ų1320.2 Ų20.26%0.0612%0.119CC..Hα-helixtrans-83-47.2177.8-73.2-169.3000111.7E168 Y330 N331 L334 W335 S339 A340 I341 I490E168-H337 VanDerWaalsContact CG-NE2 3.29Å; E168-H337 WeakPolarHBondContact CG-NE2 3.3Å; E168-H337 IonicContact OE1-NE2 2.79Å; Y330-H337 HydrophobicContact CD2-CB 4.49Å; N331-H337 PolarHBondContact N-ND1 3.17Å; L334-H337 HydrophobicContact CB-CB 4.28Å; L334-H337 PolarHBondContact O-N 3.41Å; W335-H337 VanDerWaalsContact C-N 3.26Å; W335-H337 PolarHBondContact O-N 2.97Å; H337-S339 VanDerWaalsContact C-N 3.34Å; H337-S339 PolarHBondContact O-N 3.41Å; H337-A340 PolarHBondContact O-N 3.21Å; H337-I341 PolarHBondContact O-N 3.37Å; H337-I490 HydrophobicContact CB-CG2 4.44Å
338S94.3Very high94Very high0 Ų019.4 Ų19.40%012%0.115CC..Hα-helixtrans-64.5-40.4-177.365.70000111.9Y16 L334 W335 I341 L342Y16-S338 WeakPolarHBondContact OH-CB 3.48Å; Y16-S338 PolarHBondContact OH-OG 2.91Å; L334-S338 PolarHBondContact O-N 3.04Å; L334-S338 VanDerWaalsContact O-N 3.11Å; W335-S338 PolarHBondContact O-N 2.99Å; W335-S338 PolarHBondContact O-OG 3.48Å; S338-I341 PolarHBondContact O-N 2.84Å; S338-L342 PolarHBondContact O-N 2.85Å
339S95.9Very high94.1Very high0 Ų018.9 Ų18.90%011%0.112CC..Hα-helixtrans-70.3-32.3178.763.70000112.9H23 W335 H337 I341 L342 A343H23-S339 PolarHBondContact CD2-OG 3.2Å; W335-S339 WeakPolarHBondContact O-CB 3.47Å; W335-S339 PolarHBondContact O-N 3.3Å; W335-S339 PolarHBondContact O-OG 3.2Å; H337-S339 VanDerWaalsContact C-N 3.34Å; H337-S339 PolarHBondContact O-N 3.41Å; S339-I341 VanDerWaalsContact C-N 3.35Å; S339-I341 PolarHBondContact O-N 2.9Å; S339-L342 PolarHBondContact O-N 3.29Å; S339-A343 VanDerWaalsContact O-CB 3.26Å; S339-A343 WeakPolarHBondContact O-CB 3.37Å; S339-A343 PolarHBondContact O-N 3.15Å
340A96.1Very high94.3Very high0 Ų014.4 Ų14.40%08%0.081CC..Hα-helixtrans-62.4-39.5174.900000112.6Y336 H337 A343 L344 F487 P488Y336-A340 WeakPolarHBondContact O-CB 3.45Å; H337-A340 PolarHBondContact O-N 3.21Å; A340-A343 PolarHBondContact O-N 3.08Å; A340-L344 WeakPolarHBondContact O-CG 3.41Å; A340-L344 PolarHBondContact O-N 2.84Å; A340-F487 HydrophobicContact CB-CE2 3.96Å; A340-F487 HydrophobicContact CB-CZ 3.83Å; A340-P488 HydrophobicContact CB-CG 3.55Å
341I96Very high94.4Very high0 Ų012.8 Ų12.80%07%0.074CC..Hα-helixtrans-66.5-46.7176.4-61.6171.5000110.5L311 F325 L328 Y330 H337 S338 S339 A343 L344 A345 L409 I490L311-I341 HydrophobicContact CD1-CB 4.08Å; L311-I341 HydrophobicContact CD1-CD1 3.96Å; L311-I341 HydrophobicContact CD1-CG2 4.21Å; L311-I341 HydrophobicContact CD2-CG2 4.31Å; F325-I341 HydrophobicContact CE2-CG2 4.18Å; F325-I341 HydrophobicContact CZ-CG2 4.13Å; L328-I341 HydrophobicContact CD1-CD1 3.74Å; L328-I341 HydrophobicContact CD1-CG1 3.84Å; L328-I341 HydrophobicContact CD1-CG2 4.4Å; Y330-I341 HydrophobicContact CD1-CD1 3.63Å; Y330-I341 HydrophobicContact CD2-CD1 3.74Å; Y330-I341 HydrophobicContact CE1-CD1 4Å; Y330-I341 HydrophobicContact CE2-CD1 4.09Å; Y330-I341 HydrophobicContact CG-CD1 3.49Å; Y330-I341 VanDerWaalsContact CG-CD1 3.49Å; H337-I341 PolarHBondContact O-N 3.37Å; S338-I341 PolarHBondContact O-N 2.84Å; S339-I341 VanDerWaalsContact C-N 3.35Å; S339-I341 PolarHBondContact O-N 2.9Å; I341-A343 VanDerWaalsContact C-N 3.29Å; I341-A343 PolarHBondContact O-N 2.89Å; I341-L344 PolarHBondContact O-N 2.99Å; I341-A345 PolarHBondContact O-N 3.12Å; I341-L409 HydrophobicContact CG2-CD2 4.19Å; I341-I490 HydrophobicContact CD1-CD1 4.01Å; I341-I490 HydrophobicContact CG1-CD1 3.63Å
342L96.4Very high94.6Very high1 Ų19.3 Ų9.31%0.0056%0.056CC..Hα-helixtrans-62.1-38176.7-66.5-179.2000111.6Y16 V20 L309 L311 S338 S339 A345 L346 L409Y16-L342 HydrophobicContact CE1-CD1 4.05Å; V20-L342 HydrophobicContact CG1-CB 4.13Å; V20-L342 HydrophobicContact CG2-CB 4.24Å; V20-L342 HydrophobicContact CG2-CD1 4.17Å; L309-L342 HydrophobicContact CB-CD2 4.37Å; L311-L342 HydrophobicContact CD2-CD2 3.82Å; L311-L342 HydrophobicContact CG-CD2 4.07Å; L311-L342 HydrophobicContact CG-CG 4.3Å; S338-L342 PolarHBondContact O-N 2.85Å; S339-L342 PolarHBondContact O-N 3.29Å; L342-A345 PolarHBondContact O-N 3.09Å; L342-L346 VanDerWaalsContact O-CB 3.25Å; L342-L346 WeakPolarHBondContact O-CB 3.23Å; L342-L346 PolarHBondContact O-N 3.46Å; L342-L409 HydrophobicContact CD2-CD2 4.46Å
343A96.9Very high94.8Very high0 Ų07.3 Ų7.30%04%0.043CC..Hα-helixtrans-67.2-39.6176.800000113V20 H23 W24 L27 S339 A340 I341 A345 L346 D347V20-A343 HydrophobicContact CG1-CB 4.37Å; V20-A343 WeakPolarHBondContact O-CB 3.34Å; H23-A343 HydrophobicContact CB-CB 3.34Å; W24-A343 HydrophobicContact CB-CB 4.13Å; L27-A343 HydrophobicContact CD1-CB 4.39Å; S339-A343 VanDerWaalsContact O-CB 3.26Å; S339-A343 WeakPolarHBondContact O-CB 3.37Å; S339-A343 PolarHBondContact O-N 3.15Å; A340-A343 PolarHBondContact O-N 3.08Å; I341-A343 VanDerWaalsContact C-N 3.29Å; I341-A343 PolarHBondContact O-N 2.89Å; A343-A345 VanDerWaalsContact C-N 3.34Å; A343-L346 PolarHBondContact O-N 3.35Å; A343-D347 WeakPolarHBondContact O-CB 3.49Å; A343-D347 PolarHBondContact O-N 2.81Å
344L96.2Very high95Very high0 Ų05 Ų50%02%0.024CC..Hα-helixtrans-61.9-44.1173.2-79177000111.5L27 A340 I341 D347 A348 V383 L483 F487 F491 V520 I522L27-L344 HydrophobicContact CD1-CD2 3.74Å; L27-L344 HydrophobicContact CD1-CG 4.3Å; L27-L344 HydrophobicContact CD2-CD2 3.91Å; A340-L344 WeakPolarHBondContact O-CG 3.41Å; A340-L344 PolarHBondContact O-N 2.84Å; I341-L344 PolarHBondContact O-N 2.99Å; L344-D347 WeakPolarHBondContact O-CB 3.44Å; L344-D347 PolarHBondContact O-N 3.13Å; L344-A348 PolarHBondContact O-N 3.23Å; L344-V383 HydrophobicContact CB-CG1 3.71Å; L344-V383 HydrophobicContact CD1-CG1 3.62Å; L344-V383 HydrophobicContact CG-CG1 4.33Å; L344-L483 HydrophobicContact CD2-CD2 3.63Å; L344-F487 HydrophobicContact CD1-CE1 4.17Å; L344-F487 HydrophobicContact CD1-CE2 4.33Å; L344-F487 HydrophobicContact CD1-CZ 3.49Å; L344-F487 VanDerWaalsContact CD1-CZ 3.49Å; L344-F487 HydrophobicContact CD2-CE2 4.15Å; L344-F487 HydrophobicContact CD2-CZ 4.03Å; L344-F487 HydrophobicContact CG-CE2 3.99Å; L344-F487 HydrophobicContact CG-CZ 3.65Å; L344-F491 HydrophobicContact CD1-CZ 4.32Å; L344-V520 HydrophobicContact CD1-CG2 4.45Å; L344-V520 HydrophobicContact CD2-CG2 4.03Å; L344-I522 HydrophobicContact CB-CD1 3.87Å; L344-I522 HydrophobicContact CD2-CD1 4.01Å; L344-I522 HydrophobicContact CG-CD1 4.45Å; L344-I522 WeakPolarHBondContact O-CD1 3.44Å
345A96.3Very high95Very high2 Ų23.6 Ų3.62%0.0172%0.016CC..Hα-helixtrans-64.3-45.8174.400000112I341 L342 A343 D347 A348 L349 V383 L409 T524I341-A345 PolarHBondContact O-N 3.12Å; L342-A345 PolarHBondContact O-N 3.09Å; A343-A345 VanDerWaalsContact C-N 3.34Å; A345-D347 PolarHBondContact O-N 2.79Å; A345-A348 PolarHBondContact O-N 3.39Å; A345-L349 WeakPolarHBondContact O-CB 3.25Å; A345-L349 VanDerWaalsContact O-CG 3.25Å; A345-L349 WeakPolarHBondContact O-CG 3.23Å; A345-L349 PolarHBondContact O-N 2.84Å; A345-V383 HydrophobicContact CB-CG2 4.35Å; A345-L409 HydrophobicContact CB-CD1 3.23Å; A345-L409 HydrophobicContact CB-CD2 4.35Å; A345-L409 HydrophobicContact CB-CG 4.37Å; A345-T524 HydrophobicContact CB-CG2 4.17Å
346L96.5Very high94.8Very high0 Ų05.8 Ų5.80%02%0.024CC..Hα-helixtrans-60.8-34.9177.9-170.467.1000111.3V20 W24 L240 W270 L309 L342 A343 A348 L349 T350V20-L346 HydrophobicContact CG1-CD2 4.44Å; W24-L346 HydrophobicContact CG-CD2 4.2Å; L240-L346 HydrophobicContact CD2-CD2 3.75Å; L240-L346 HydrophobicContact CG-CD2 4.4Å; W270-L346 HydrophobicContact CD2-CD1 3.68Å; W270-L346 HydrophobicContact CE3-CD1 4.2Å; W270-L346 HydrophobicContact CG-CD1 3.87Å; W270-L346 HydrophobicContact CZ2-CD1 4.27Å; L309-L346 HydrophobicContact CD1-CD1 4.37Å; L342-L346 VanDerWaalsContact O-CB 3.25Å; L342-L346 WeakPolarHBondContact O-CB 3.23Å; L342-L346 PolarHBondContact O-N 3.46Å; A343-L346 PolarHBondContact O-N 3.35Å; L346-A348 VanDerWaalsContact C-N 3.33Å; L346-A348 PolarHBondContact O-N 2.82Å; L346-L349 PolarHBondContact O-N 2.74Å; L346-T350 HydrophobicContact CD1-CG2 3.72Å; L346-T350 HydrophobicContact CG-CG2 3.92Å; L346-T350 VanDerWaalsContact O-CB 3.32Å; L346-T350 WeakPolarHBondContact O-CB 3.35Å; L346-T350 WeakPolarHBondContact O-CG2 3.35Å; L346-T350 PolarHBondContact O-N 2.92Å; L346-T350 PolarHBondContact O-OG1 3.26Å
347D95.5Very high94.3Very high2 Ų211.5 Ų11.51%0.0116%0.055CC..Hα-helixtrans-57.6-46.5172.6-178.537.3000110.8L27 Q28 A343 L344 A345 T350 V351 R354 R428 S481L27-D347 HydrophobicContact CD1-CB 4.17Å; Q28-D347 PolarHBondContact NE2-OD1 3.4Å; A343-D347 WeakPolarHBondContact O-CB 3.49Å; A343-D347 PolarHBondContact O-N 2.81Å; L344-D347 WeakPolarHBondContact O-CB 3.44Å; L344-D347 PolarHBondContact O-N 3.13Å; A345-D347 PolarHBondContact O-N 2.79Å; D347-T350 PolarHBondContact O-OG1 2.99Å; D347-V351 WeakPolarHBondContact O-CG2 3.27Å; D347-R354 PolarHBondContact O-NH2 3.13Å; D347-R354 IonicContact OD1-NH2 3.28Å; D347-R354 PolarHBondContact OD1-NH2 3.35Å; D347-R428 IonicContact OD1-CZ 3.85Å; D347-R428 IonicContact OD1-NH1 2.97Å; D347-R428 PolarHBondContact OD1-NH1 2.89Å; D347-R428 IonicContact OD2-CZ 2.71Å; D347-R428 IonicContact OD2-NH1 3.06Å; D347-R428 PolarHBondContact OD2-NH1 2.92Å; D347-R428 IonicContact OD2-NH2 3.98Å; D347-S481 WeakPolarHBondContact OD2-CB 3.26Å; D347-S481 PolarHBondContact OD2-OG 3.42Å
348A95.3Very high93.9Very high0 Ų017.8 Ų17.80%09%0.089CC..Hα-helixtrans-70.8-40.217600000114.1L344 A345 L346 T350 V351 I522 T524L344-A348 PolarHBondContact O-N 3.23Å; A345-A348 PolarHBondContact O-N 3.39Å; L346-A348 VanDerWaalsContact C-N 3.33Å; L346-A348 PolarHBondContact O-N 2.82Å; A348-T350 VanDerWaalsContact C-N 3.26Å; A348-T350 PolarHBondContact O-N 2.82Å; A348-V351 WeakPolarHBondContact O-CG2 3.11Å; A348-V351 PolarHBondContact O-N 3.31Å; A348-I522 HydrophobicContact CB-CB 4.21Å; A348-I522 HydrophobicContact CB-CG2 3.66Å; A348-T524 HydrophobicContact CB-CG2 3.74Å; A348-T524 WeakPolarHBondContact CB-OG1 3.39Å
349L95.8Very high93.6Very high6 Ų619.2 Ų19.23%0.03110%0.099CC..Hα-helixtrans-63.7-31.5179.7-70.4173000112.9W270 A345 L346 P352 A379 T524 L526W270-L349 HydrophobicContact CH2-CB 4.36Å; W270-L349 HydrophobicContact CH2-CD1 4.5Å; W270-L349 HydrophobicContact CZ3-CD1 4.18Å; A345-L349 WeakPolarHBondContact O-CB 3.25Å; A345-L349 VanDerWaalsContact O-CG 3.25Å; A345-L349 WeakPolarHBondContact O-CG 3.23Å; A345-L349 PolarHBondContact O-N 2.84Å; L346-L349 PolarHBondContact O-N 2.74Å; L349-P352 VanDerWaalsContact O-CD 3.32Å; L349-P352 WeakPolarHBondContact O-CD 3.22Å; L349-A379 HydrophobicContact CD1-CB 4.15Å; L349-T524 HydrophobicContact CD2-CG2 4.31Å; L349-T524 HydrophobicContact CG-CG2 4.19Å; L349-L526 HydrophobicContact CD1-CD2 4.38Å; L349-L526 HydrophobicContact CD2-CD1 4.2Å; L349-L526 HydrophobicContact CD2-CD2 3.59Å; L349-L526 HydrophobicContact CD2-CG 3.56Å
350T95.3Very high93.4Very high0 Ų019.5 Ų19.50%010%0.102CC..THydrogen-bonded Turntrans-93.1-6.3-176.559.70000113.4L346 D347 A348 Y353 R354L346-T350 HydrophobicContact CD1-CG2 3.72Å; L346-T350 HydrophobicContact CG-CG2 3.92Å; L346-T350 VanDerWaalsContact O-CB 3.32Å; L346-T350 WeakPolarHBondContact O-CB 3.35Å; L346-T350 WeakPolarHBondContact O-CG2 3.35Å; L346-T350 PolarHBondContact O-N 2.92Å; L346-T350 PolarHBondContact O-OG1 3.26Å; D347-T350 PolarHBondContact O-OG1 2.99Å; A348-T350 VanDerWaalsContact C-N 3.26Å; A348-T350 PolarHBondContact O-N 2.82Å; T350-Y353 VanDerWaalsContact CB-OH 3.25Å; T350-Y353 WeakPolarHBondContact CB-OH 3.49Å; T350-Y353 HydrophobicContact CG2-CE1 4.25Å; T350-Y353 WeakPolarHBondContact CG2-OH 3.3Å; T350-R354 WeakPolarHBondContact O-CG 3.44Å; T350-R354 PolarHBondContact O-NE 3.35Å; T350-R354 PolarHBondContact OG1-NE 2.9Å; T350-R354 VanDerWaalsContact OG1-NE 3.17Å; T350-R354 PolarHBondContact OG1-NH2 2.86Å
351V94.3Very high93.2Very high0 Ų020.2 Ų20.20%011%0.106CC..G310 helixtrans-58.4-42.1178.9-175.90000114.2V43 D347 A348 Y353 R354 L355 T426 V477V43-V351 HydrophobicContact CG2-CG1 4.22Å; D347-V351 WeakPolarHBondContact O-CG2 3.27Å; A348-V351 WeakPolarHBondContact O-CG2 3.11Å; A348-V351 PolarHBondContact O-N 3.31Å; V351-Y353 PolarHBondContact O-N 3.42Å; V351-R354 PolarHBondContact O-N 2.9Å; V351-L355 HydrophobicContact CG1-CD1 4.11Å; V351-L355 HydrophobicContact CG1-CD2 3.66Å; V351-L355 HydrophobicContact CG1-CG 3.69Å; V351-L355 WeakPolarHBondContact O-CG 3.02Å; V351-L355 PolarHBondContact O-N 3.33Å; V351-T426 HydrophobicContact CB-CG2 4.32Å; V351-V477 HydrophobicContact CG1-CG1 4.5Å; V351-V477 HydrophobicContact CG1-CG2 3.73Å
352P93.7Very high93.1Very high0 Ų020.2 Ų20.20%011%0.106CC..G310 helixtrans-52.1-35.8-170.6-30.737.4000114.4L349 S359 A360 V365 W424L349-P352 VanDerWaalsContact O-CD 3.32Å; L349-P352 WeakPolarHBondContact O-CD 3.22Å; P352-S359 CarbonylContact O-C 3.48Å; P352-S359 WeakPolarHBondContact O-CA 3.45Å; P352-S359 PolarHBondContact O-OG 2.89Å; P352-A360 PolarHBondContact O-N 3.29Å; P352-V365 HydrophobicContact CB-CG2 4.16Å; P352-W424 HydrophobicContact CB-CZ2 3.64Å; P352-W424 HydrophobicContact CG-CZ2 4.16Å
353Y93.3Very high92.9Very high3 Ų326.9 Ų26.91%0.01213%0.131CC..G310 helixtrans-99.24.2-178.263.4-107.1000114.3V8 Q238 L268 T350 V351 A360 M362V8-Y353 HydrophobicContact CG2-CD2 4.1Å; V8-Y353 HydrophobicContact CG2-CE2 4.13Å; Q238-Y353 PolarHBondContact OE1-OH 3.41Å; L268-Y353 HydrophobicContact CD1-CD1 4.14Å; L268-Y353 HydrophobicContact CD1-CE1 3.64Å; T350-Y353 VanDerWaalsContact CB-OH 3.25Å; T350-Y353 WeakPolarHBondContact CB-OH 3.49Å; T350-Y353 HydrophobicContact CG2-CE1 4.25Å; T350-Y353 WeakPolarHBondContact CG2-OH 3.3Å; V351-Y353 PolarHBondContact O-N 3.42Å; Y353-A360 WeakPolarHBondContact CA-O 3.44Å; Y353-A360 WeakPolarHBondContact CB-O 3.39Å; Y353-M362 HydrophobicContact CD1-CG 3.77Å; Y353-M362 HydrophobicContact CD2-CG 3.81Å; Y353-M362 HydrophobicContact CD2-SD 4.17Å; Y353-M362 HydrophobicContact CE1-CG 4.12Å; Y353-M362 HydrophobicContact CE2-CG 4.18Å; Y353-M362 HydrophobicContact CE2-SD 4.19Å; Y353-M362 HydrophobicContact CG-CG 3.58Å
354R92.8Very high92.6Very high2 Ų231 Ų311%0.00815%0.151CC..THydrogen-bonded Turntrans-114-0.4178-63.4-175.7-61.6117.4-10.2113.1V43 Q44 D347 T350 V351V43-R354 HydrophobicContact CG1-CB 4.22Å; V43-R354 VanDerWaalsContact CG1-NH1 3.32Å; Q44-R354 WeakPolarHBondContact CB-O 3.48Å; Q44-R354 PolarHBondContact N-O 2.86Å; D347-R354 PolarHBondContact O-NH2 3.13Å; D347-R354 IonicContact OD1-NH2 3.28Å; D347-R354 PolarHBondContact OD1-NH2 3.35Å; T350-R354 WeakPolarHBondContact O-CG 3.44Å; T350-R354 PolarHBondContact O-NE 3.35Å; T350-R354 PolarHBondContact OG1-NE 2.9Å; T350-R354 VanDerWaalsContact OG1-NE 3.17Å; T350-R354 PolarHBondContact OG1-NH2 2.86Å; V351-R354 PolarHBondContact O-N 2.9Å
355L91.8Very high92.5Very high10 Ų1031.1 Ų31.15%0.05215%0.151CC..BIsolated β-bridgetrans-70.2150.8178.4-73.2169000112.1E42 V43 V351 N357 S359 Q475 V477E42-L355 HydrophobicContact CB-CD2 4.37Å; E42-L355 WeakPolarHBondContact O-CD2 3.48Å; V43-L355 HydrophobicContact CG2-CD2 4.21Å; V351-L355 HydrophobicContact CG1-CD1 4.11Å; V351-L355 HydrophobicContact CG1-CD2 3.66Å; V351-L355 HydrophobicContact CG1-CG 3.69Å; V351-L355 WeakPolarHBondContact O-CG 3.02Å; V351-L355 PolarHBondContact O-N 3.33Å; L355-N357 WeakPolarHBondContact CB-O 3.46Å; L355-S359 WeakPolarHBondContact O-CB 3.28Å; L355-Q475 HydrophobicContact CD1-CG 3.56Å; L355-V477 HydrophobicContact CD1-CG2 4.17Å; L355-V477 HydrophobicContact CD2-CG1 4.34Å; L355-V477 HydrophobicContact CD2-CG2 3.87Å
356R88.3Confident92.5Very high76 Ų7631.2 Ų31.229%0.28715%0.152SC..SBendtrans-73.9-41.1171.2-70.3-172.9-172.4-86.1-1111.8P41 E42 Q44 D46P41-R356 WeakPolarHBondContact O-CD 3.45Å; P41-R356 PolarHBondContact O-NE 3.24Å; E42-R356 PolarHBondContact O-N 3.18Å; Q44-R356 HydrophobicContact CB-CG 3.66Å; Q44-R356 HydrophobicContact CG-CG 4.25Å; D46-R356 IonicContact OD2-NH2 3.7Å
357N85.5Confident92.2Very high127 Ų12736.4 Ų36.468%0.67918%0.18SC*.SBendtrans-117.9145.5-177.7-60.2-37.1000109.4L355 S359L355-N357 WeakPolarHBondContact CB-O 3.46Å; N357-S359 PolarHBondContact O-N 2.93Å
358N84.8Confident92.1Very high145 Ų14538.2 Ų38.278%0.77519%0.192SC*.SBendtrans54.431.7179.9-57.9-24.4000113.9
359S88.2Confident92Very high30 Ų3038.2 Ų38.221%0.2119%0.192CC..PPolyproline II helixtrans-75.7130.4178.5177.90000111.9P352 L355 N357P352-S359 CarbonylContact O-C 3.48Å; P352-S359 WeakPolarHBondContact O-CA 3.45Å; P352-S359 PolarHBondContact O-OG 2.89Å; L355-S359 WeakPolarHBondContact O-CB 3.28Å; N357-S359 PolarHBondContact O-N 2.93Å
360A91.8Very high91.8Very high6 Ų638.7 Ų38.75%0.0520%0.197CC..PPolyproline II helixtrans-94.6120173.600000109.3P352 Y353 V365 W424P352-A360 PolarHBondContact O-N 3.29Å; Y353-A360 WeakPolarHBondContact CA-O 3.44Å; Y353-A360 WeakPolarHBondContact CB-O 3.39Å; A360-V365 HydrophobicContact CB-CG2 4.1Å; A360-W424 HydrophobicContact CB-CH2 3.4Å; A360-W424 HydrophobicContact CB-CZ2 3.88Å; A360-W424 HydrophobicContact CB-CZ3 4.36Å
361P91.9Very high91.3Very high14 Ų1441.6 Ų41.69%0.09122%0.215CC..PPolyproline II helixtrans-62153.2179.228.9-35000111.5Q235 W363 Q364 V365Q235-P361 HydrophobicContact CG-CB 4.34Å; P361-W363 HydrophobicContact CG-CD2 4.39Å; P361-W363 HydrophobicContact CG-CG 4.44Å; P361-W363 HydrophobicContact CG-CZ2 4.06Å; P361-W363 PolarHBondContact O-N 2.65Å; P361-W363 VanDerWaalsContact O-N 3.09Å; P361-Q364 HydrophobicContact CG-CB 3.93Å; P361-Q364 WeakPolarHBondContact O-CB 3.28Å; P361-Q364 PolarHBondContact O-N 2.68Å; P361-V365 PolarHBondContact O-N 3.44Å
362M94.4Very high90.8Very high0 Ų045.5 Ų45.50%025%0.247CC..Hα-helixtrans-51.9-38-176.4-76163.386.400114.1V8 Q235 F237 Q238 L268 Y353 Q364 V365 A366V8-M362 HydrophobicContact CB-SD 4.37Å; V8-M362 HydrophobicContact CG1-CE 4.02Å; V8-M362 HydrophobicContact CG1-SD 3.83Å; V8-M362 HydrophobicContact CG2-SD 3.6Å; V8-M362 VanDerWaalsContact CG2-SD 3.6Å; Q235-M362 HydrophobicContact CG-CB 4.23Å; Q235-M362 HydrophobicContact CG-CG 4.26Å; Q235-M362 HydrophobicContact CG-SD 4.2Å; Q235-M362 VanDerWaalsContact NE2-CG 3.25Å; Q235-M362 PolarHBondContact NE2-SD 3.08Å; F237-M362 WeakPolarHBondContact O-CE 3.36Å; Q238-M362 HydrophobicContact CB-CE 4.44Å; L268-M362 HydrophobicContact CB-CE 3.99Å; L268-M362 HydrophobicContact CD1-CB 4.09Å; L268-M362 HydrophobicContact CD1-CE 3.8Å; L268-M362 HydrophobicContact CD1-CG 3.81Å; L268-M362 HydrophobicContact CG-CB 4.23Å; L268-M362 HydrophobicContact CG-CE 3.6Å; L268-M362 HydrophobicContact CG-CG 4.27Å; Y353-M362 HydrophobicContact CD1-CG 3.77Å; Y353-M362 HydrophobicContact CD2-CG 3.81Å; Y353-M362 HydrophobicContact CD2-SD 4.17Å; Y353-M362 HydrophobicContact CE1-CG 4.12Å; Y353-M362 HydrophobicContact CE2-CG 4.18Å; Y353-M362 HydrophobicContact CE2-SD 4.19Å; Y353-M362 HydrophobicContact CG-CG 3.58Å; M362-Q364 VanDerWaalsContact C-N 3.31Å; M362-Q364 PolarHBondContact O-N 2.94Å; M362-V365 PolarHBondContact O-N 3.48Å; M362-A366 WeakPolarHBondContact O-CB 3.28Å; M362-A366 PolarHBondContact O-N 2.91Å
363W91.5Very high90.3Very high141 Ų14147.8 Ų47.853%0.53427%0.271SS..Hα-helixtrans-64.6-34.4177.970.6-99.2000112.4P361 A366 D367P361-W363 HydrophobicContact CG-CD2 4.39Å; P361-W363 HydrophobicContact CG-CG 4.44Å; P361-W363 HydrophobicContact CG-CZ2 4.06Å; P361-W363 PolarHBondContact O-N 2.65Å; P361-W363 VanDerWaalsContact O-N 3.09Å; W363-A366 PolarHBondContact O-N 3.19Å; W363-D367 WeakPolarHBondContact O-CB 3.38Å; W363-D367 PolarHBondContact O-N 3.27Å
364Q92.5Very high90.1Very high87 Ų8749.2 Ų49.241%0.40728%0.276SS..Hα-helixtrans-72.3-40.3178.7-178.5-178.6-15.500110.7P361 M362 A366 D367 S368P361-Q364 HydrophobicContact CG-CB 3.93Å; P361-Q364 WeakPolarHBondContact O-CB 3.28Å; P361-Q364 PolarHBondContact O-N 2.68Å; M362-Q364 VanDerWaalsContact C-N 3.31Å; M362-Q364 PolarHBondContact O-N 2.94Å; Q364-A366 VanDerWaalsContact C-N 3.31Å; Q364-D367 PolarHBondContact O-N 3.42Å; Q364-S368 WeakPolarHBondContact O-CB 3.37Å; Q364-S368 PolarHBondContact O-N 2.96Å; Q364-S368 PolarHBondContact O-OG 3.35Å
365V94Very high90.2Very high3 Ų351.9 Ų51.92%0.01829%0.288CS..Hα-helixtrans-60-46.1172.9-179.70000109.6P352 A360 P361 M362 S368 L369 W424P352-V365 HydrophobicContact CB-CG2 4.16Å; A360-V365 HydrophobicContact CB-CG2 4.1Å; P361-V365 PolarHBondContact O-N 3.44Å; M362-V365 PolarHBondContact O-N 3.48Å; V365-S368 PolarHBondContact O-OG 3.3Å; V365-L369 HydrophobicContact CG1-CD1 4.39Å; V365-W424 HydrophobicContact CG1-CD2 4.38Å; V365-W424 HydrophobicContact CG1-CE3 4.32Å; V365-W424 HydrophobicContact CG2-CE3 4.34Å; V365-W424 HydrophobicContact CG2-CH2 4.17Å; V365-W424 HydrophobicContact CG2-CZ2 4.37Å; V365-W424 HydrophobicContact CG2-CZ3 4.14Å
366A94.4Very high90.4Very high4 Ų451.4 Ų51.43%0.03329%0.285CS..Hα-helixtrans-60.7-51.5176.300000112.4L268 L305 M362 W363 Q364 S368 L369 A370L268-A366 HydrophobicContact CD2-CB 3.93Å; L305-A366 HydrophobicContact CB-CB 4.06Å; M362-A366 WeakPolarHBondContact O-CB 3.28Å; M362-A366 PolarHBondContact O-N 2.91Å; W363-A366 PolarHBondContact O-N 3.19Å; Q364-A366 VanDerWaalsContact C-N 3.31Å; A366-S368 VanDerWaalsContact C-N 3.3Å; A366-S368 PolarHBondContact O-N 2.87Å; A366-L369 PolarHBondContact O-N 3.08Å; A366-L369 VanDerWaalsContact O-N 3.09Å; A366-A370 WeakPolarHBondContact O-CB 3.43Å; A366-A370 PolarHBondContact O-N 3.21Å
367D92.1Very high90.7Very high109 Ų10947.8 Ų47.858%0.58327%0.271SS*.Hα-helixtrans-62.3-36.5-176.5-167.850000112.6W363 Q364 L369W363-D367 WeakPolarHBondContact O-CB 3.38Å; W363-D367 PolarHBondContact O-N 3.27Å; Q364-D367 PolarHBondContact O-N 3.42Å; D367-L369 PolarHBondContact O-N 3.23Å
368S92.6Very high91.2Very high39 Ų3941.8 Ų41.827%0.27324%0.24SC..Hα-helixtrans-63.3-25.317772.80000114Q364 V365 A366Q364-S368 WeakPolarHBondContact O-CB 3.37Å; Q364-S368 PolarHBondContact O-N 2.96Å; Q364-S368 PolarHBondContact O-OG 3.35Å; V365-S368 PolarHBondContact O-OG 3.3Å; A366-S368 VanDerWaalsContact C-N 3.3Å; A366-S368 PolarHBondContact O-N 2.87Å
369L93.4Very high91.7Very high0 Ų034.9 Ų34.90%020%0.203CC..Hα-helixtrans-106.7-32.8-177.8-63.4168.7000111.9L305 V365 A366 D367 V371 V377 G422 W424 L526 S528L305-L369 HydrophobicContact CD1-CB 3.81Å; L305-L369 HydrophobicContact CD1-CD1 3.6Å; L305-L369 HydrophobicContact CD1-CG 4.34Å; V365-L369 HydrophobicContact CG1-CD1 4.39Å; A366-L369 PolarHBondContact O-N 3.08Å; A366-L369 VanDerWaalsContact O-N 3.09Å; D367-L369 PolarHBondContact O-N 3.23Å; L369-V371 VanDerWaalsContact C-N 3.26Å; L369-V371 PolarHBondContact O-N 3.26Å; L369-V377 HydrophobicContact CB-CG1 3.84Å; L369-V377 HydrophobicContact CD1-CG1 4.42Å; L369-G422 WeakPolarHBondContact CD2-O 3.45Å; L369-W424 HydrophobicContact CD1-CB 4.31Å; L369-W424 HydrophobicContact CD2-CB 4.33Å; L369-L526 HydrophobicContact CD1-CB 3.62Å; L369-L526 HydrophobicContact CD1-CD1 3.82Å; L369-L526 HydrophobicContact CD1-CG 4.35Å; L369-L526 HydrophobicContact CD2-CB 4.31Å; L369-S528 WeakPolarHBondContact O-CB 3.31Å; L369-S528 PolarHBondContact O-OG 3.12Å; L369-S528 VanDerWaalsContact O-OG 3.04Å
370A91.5Very high92Very high16 Ų1633.6 Ų33.613%0.13219%0.193CC..SBendtrans-89.233.3-173.500000114.3A366 A372 G373 R374 K375A366-A370 WeakPolarHBondContact O-CB 3.43Å; A366-A370 PolarHBondContact O-N 3.21Å; A370-A372 PolarHBondContact O-N 2.88Å; A370-G373 PolarHBondContact O-N 3.39Å; A370-R374 VanDerWaalsContact CA-O 3.26Å; A370-R374 WeakPolarHBondContact CA-O 3.35Å; A370-K375 HydrophobicContact CB-CG 4.4Å
371V84.6Confident92.2Very high62 Ų6233.3 Ų33.338%0.37619%0.191SC..G310 helixtrans-60.3135.2-175-176.20000110.9L369 G373 R374L369-V371 VanDerWaalsContact C-N 3.26Å; L369-V371 PolarHBondContact O-N 3.26Å; V371-G373 VanDerWaalsContact C-N 3.28Å; V371-G373 PolarHBondContact O-N 3.08Å; V371-R374 WeakPolarHBondContact O-CB 3.46Å; V371-R374 PolarHBondContact O-N 2.95Å; V371-R374 PolarHBondContact O-NE 2.72Å; V371-R374 VanDerWaalsContact O-NE 3.14Å; V371-R374 PolarHBondContact O-NH2 3.29Å
372A84.1Confident92.3Very high82 Ų8232.8 Ų32.868%0.67819%0.188SC*.G310 helixtrans54.937.6177.200000114.3A370 R374A370-A372 PolarHBondContact O-N 2.88Å; A372-R374 VanDerWaalsContact C-N 3.33Å; A372-R374 PolarHBondContact O-N 2.84Å
373G82Confident92.2Very high47 Ų4732.9 Ų32.949%0.48519%0.189SC..G310 helixtrans83.3317600000114.9A370 V371 K375A370-G373 PolarHBondContact O-N 3.39Å; V371-G373 VanDerWaalsContact C-N 3.28Å; V371-G373 PolarHBondContact O-N 3.08Å; G373-K375 VanDerWaalsContact C-N 3.3Å; G373-K375 PolarHBondContact O-N 2.99Å
374R90.9Very high92.3Very high34 Ų3426.4 Ų26.413%0.12817%0.165CC..  trans-76.972.5176.9-76.2-179.3-72-82.3-3.7112.4A370 V371 A372 V376 Y421 C578 Y579A370-R374 VanDerWaalsContact CA-O 3.26Å; A370-R374 WeakPolarHBondContact CA-O 3.35Å; V371-R374 WeakPolarHBondContact O-CB 3.46Å; V371-R374 PolarHBondContact O-N 2.95Å; V371-R374 PolarHBondContact O-NE 2.72Å; V371-R374 VanDerWaalsContact O-NE 3.14Å; V371-R374 PolarHBondContact O-NH2 3.29Å; A372-R374 VanDerWaalsContact C-N 3.33Å; A372-R374 PolarHBondContact O-N 2.84Å; R374-V376 VanDerWaalsContact C-N 3.32Å; R374-V376 PolarHBondContact O-N 3.43Å; R374-Y421 VanDerWaalsContact CD-CD2 3.46Å; R374-Y421 VanDerWaalsContact CD-CE2 3.5Å; R374-Y421 VanDerWaalsContact NE-CD2 3.34Å; R374-C578 VanDerWaalsContact CD-O 3.32Å; R374-C578 WeakPolarHBondContact CD-O 3.28Å; R374-C578 HydrophobicContact CG-CB 3.94Å; R374-C578 PolarHBondContact NH1-O 3.43Å; R374-Y579 WeakPolarHBondContact CA-OH 3.28Å; R374-Y579 HydrophobicContact CB-CD1 4.43Å; R374-Y579 HydrophobicContact CB-CE1 3.58Å; R374-Y579 HydrophobicContact CB-CE2 4.33Å; R374-Y579 WeakPolarHBondContact CB-OH 3.18Å; R374-Y579 HydrophobicContact CG-CD1 4.03Å; R374-Y579 HydrophobicContact CG-CD2 4.43Å; R374-Y579 HydrophobicContact CG-CE1 3.65Å; R374-Y579 HydrophobicContact CG-CE2 4.08Å; R374-Y579 HydrophobicContact CG-CG 4.39Å; R374-Y579 PolarHBondContact O-OH 3.42Å
375K93.6Very high92.4Very high57 Ų5722.3 Ų22.325%0.24815%0.146CC..  trans-76.4-10.4-173.5-63.9-179.8172.8-162.70115.7A300 A301 S303 L305 F306 A370 G373 Y579A300-K375 WeakPolarHBondContact O-CD 3.38Å; A301-K375 PolarHBondContact O-NZ 3.1Å; S303-K375 WeakPolarHBondContact O-CD 3.48Å; S303-K375 PolarHBondContact O-NZ 2.69Å; L305-K375 WeakPolarHBondContact CA-O 3.45Å; F306-K375 PolarHBondContact N-O 2.62Å; A370-K375 HydrophobicContact CB-CG 4.4Å; G373-K375 VanDerWaalsContact C-N 3.3Å; G373-K375 PolarHBondContact O-N 2.99Å; K375-Y579 PolarHBondContact N-OH 3.41Å
376V95.9Very high92.2Very high0 Ų023.5 Ų23.50%015%0.153CC..BIsolated β-bridgetrans-90.5132.7179.5-175.80000109.1A300 F306 R374 L532 L575 Y579A300-V376 HydrophobicContact CB-CG2 3.91Å; F306-V376 HydrophobicContact CD1-CG1 4.28Å; F306-V376 HydrophobicContact CD1-CG2 4.26Å; F306-V376 CarbonylContact O-C 3.58Å; F306-V376 VanDerWaalsContact O-CA 3.31Å; F306-V376 WeakPolarHBondContact O-CA 3.43Å; R374-V376 VanDerWaalsContact C-N 3.32Å; R374-V376 PolarHBondContact O-N 3.43Å; V376-L532 HydrophobicContact CG1-CD2 4.11Å; V376-L532 WeakPolarHBondContact O-CD1 3.43Å; V376-L575 HydrophobicContact CG2-CD1 4.37Å; V376-L575 HydrophobicContact CG2-CD2 3.76Å; V376-L575 HydrophobicContact CG2-CG 4.31Å; V376-Y579 WeakPolarHBondContact CA-OH 3.44Å; V376-Y579 WeakPolarHBondContact CB-OH 3.45Å; V376-Y579 PolarHBondContact N-OH 2.82Å; V376-Y579 PolarHBondContact O-OH 3.34Å
377V95.4Very high92Very high0 Ų023.6 Ų23.60%015%0.153CC..  trans-130149.4179.3-56.40000111.8L305 F306 C307 P308 L369 L526L305-V377 HydrophobicContact CD1-CB 4.35Å; L305-V377 HydrophobicContact CD1-CG1 3.55Å; L305-V377 HydrophobicContact CD1-CG2 3.86Å; L305-V377 HydrophobicContact CD2-CG2 3.76Å; L305-V377 HydrophobicContact CG-CG1 4.04Å; L305-V377 HydrophobicContact CG-CG2 3.79Å; F306-V377 PolarHBondContact O-N 3.49Å; C307-V377 HydrophobicContact CB-CG2 3.65Å; C307-V377 PolarHBondContact SG-O 2.82Å; P308-V377 WeakPolarHBondContact CD-O 3.25Å; L369-V377 HydrophobicContact CB-CG1 3.84Å; L369-V377 HydrophobicContact CD1-CG1 4.42Å; V377-L526 HydrophobicContact CG2-CD2 4.28Å
378A94.8Very high91.8Very high2 Ų222.1 Ų22.12%0.01714%0.144CC..EExtended strand (participates in β ladder)trans-94.1145.117200000110.5Y380 S410 C412 L526 Q527 L532A378-Y380 HydrophobicContact CB-CE2 3.65Å; A378-Y380 WeakPolarHBondContact CB-OH 3.47Å; A378-S410 WeakPolarHBondContact CA-OG 3.04Å; A378-C412 HydrophobicContact CB-CB 3.85Å; A378-L526 CarbonylContact O-C 3.54Å; A378-L526 WeakPolarHBondContact O-CA 3.49Å; A378-Q527 PolarHBondContact N-O 3.09Å; A378-Q527 PolarHBondContact O-N 3.39Å; A378-L532 HydrophobicContact CB-CD2 4.07Å
379A95.7Very high91.5Very high0 Ų023.3 Ų23.30%015%0.15CC..EExtended strand (participates in β ladder)trans-115.3134.8175.100000110.4L309 L349 L409 S410 L526L309-A379 HydrophobicContact CD2-CB 3.6Å; L349-A379 HydrophobicContact CD1-CB 4.15Å; A379-L409 HydrophobicContact CB-CB 4.34Å; A379-L409 WeakPolarHBondContact O-CA 3.49Å; A379-L409 PolarHBondContact O-N 2.79Å; A379-S410 PolarHBondContact N-OG 3.21Å; A379-S410 PolarHBondContact O-N 2.77Å; A379-S410 VanDerWaalsContact O-N 3.13Å; A379-S410 PolarHBondContact O-OG 3.31Å; A379-L526 HydrophobicContact CB-CD2 3.91Å
380Y95.2Very high91.1Very high2 Ų225.8 Ų25.81%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-128.6149.2176.1-51.8-83.3000109.5A378 K407 P408 P413 E414 T524 S525 Q527A378-Y380 HydrophobicContact CB-CE2 3.65Å; A378-Y380 WeakPolarHBondContact CB-OH 3.47Å; Y380-K407 CarbonylContact C-O 3.59Å; Y380-K407 WeakPolarHBondContact CA-O 3.43Å; Y380-P408 HydrophobicContact CD1-CB 4.16Å; Y380-P408 HydrophobicContact CE1-CB 4.2Å; Y380-P413 PolarHBondContact OH-O 2.8Å; Y380-E414 HydrophobicContact CD1-CB 4.26Å; Y380-E414 HydrophobicContact CE1-CB 3.83Å; Y380-E414 HydrophobicContact CE1-CG 4.44Å; Y380-T524 CarbonylContact O-C 3.46Å; Y380-T524 VanDerWaalsContact O-CA 3.25Å; Y380-T524 WeakPolarHBondContact O-CA 3.11Å; Y380-S525 PolarHBondContact N-O 2.82Å; Y380-S525 PolarHBondContact O-N 2.86Å; Y380-Q527 HydrophobicContact CD2-CB 4.49Å; Y380-Q527 HydrophobicContact CD2-CG 3.93Å; Y380-Q527 HydrophobicContact CE2-CB 4Å; Y380-Q527 HydrophobicContact CE2-CG 3.89Å
381G94.7Very high90.7Very high0 Ų025.8 Ų25.80%018%0.178CC..EExtended strand (participates in β ladder)trans-156.9145.7174.900000115.1K407 L409 L523G381-K407 PolarHBondContact N-O 2.88Å; G381-K407 PolarHBondContact O-N 2.82Å; G381-L409 VanDerWaalsContact N-CD1 3.35Å; G381-L523 CarbonylContact C-O 3.55Å; G381-L523 WeakPolarHBondContact CA-O 3.06Å
382A94.4Very high91Very high4 Ų423.1 Ų23.13%0.03316%0.162CC..EExtended strand (participates in β ladder)trans-98.3101.1165.200000107.5P384 F385 P405 W406 L523A382-P384 VanDerWaalsContact C-C 3.49Å; A382-P384 CarbonylContact C-O 3.6Å; A382-P384 CarbonylContact O-C 3.59Å; A382-P384 VanDerWaalsContact O-C 3.27Å; A382-F385 HydrophobicContact CB-CB 4.45Å; A382-F385 HydrophobicContact CB-CD2 4.15Å; A382-F385 PolarHBondContact O-N 3.14Å; A382-P405 HydrophobicContact CB-CB 4.34Å; A382-P405 WeakPolarHBondContact CB-O 3.19Å; A382-W406 HydrophobicContact CB-CB 4.42Å; A382-L523 HydrophobicContact CB-CB 4.24Å; A382-L523 PolarHBondContact N-O 3.17Å; A382-L523 PolarHBondContact O-N 2.97Å
383V93Very high91.3Very high2 Ų219.3 Ų19.31%0.01213%0.13CC..SBendtrans-122.7102.3-174.8-170.70000108.4L328 L344 A345 I522L328-V383 WeakPolarHBondContact CD1-O 3.47Å; L328-V383 VanDerWaalsContact CG-O 3.25Å; L328-V383 WeakPolarHBondContact CG-O 3.18Å; L344-V383 HydrophobicContact CB-CG1 3.71Å; L344-V383 HydrophobicContact CD1-CG1 3.62Å; L344-V383 HydrophobicContact CG-CG1 4.33Å; A345-V383 HydrophobicContact CB-CG2 4.35Å; V383-I522 HydrophobicContact CG2-CG2 4.14Å
384P93.6Very high91.7Very high5 Ų517.1 Ų17.13%0.03211%0.107CC..SBendcis-73.4164.5-13.831.1-34.9000113.5L327 A382 L495 V520 P521L327-P384 HydrophobicContact CB-CG 3.8Å; L327-P384 HydrophobicContact CD1-CG 3.96Å; A382-P384 VanDerWaalsContact C-C 3.49Å; A382-P384 CarbonylContact C-O 3.6Å; A382-P384 CarbonylContact O-C 3.59Å; A382-P384 VanDerWaalsContact O-C 3.27Å; P384-L495 HydrophobicContact CG-CD1 3.75Å; P384-L495 HydrophobicContact CG-CD2 4.41Å; P384-V520 HydrophobicContact CB-CB 4.13Å; P384-V520 HydrophobicContact CB-CG1 4.19Å; P384-P521 CarbonylContact C-O 3.55Å; P384-P521 VanDerWaalsContact CA-O 3.23Å; P384-P521 WeakPolarHBondContact CA-O 3.27Å; P384-P521 HydrophobicContact CB-CG 4.46Å; P384-P521 WeakPolarHBondContact CB-O 2.89Å
385F93.6Very high91.6Very high1 Ų119.1 Ų19.10%0.00412%0.12CC..  trans-73.2126.9173.5178.4-109.3000110.6A382 M387 L393 A396 L397 P405 L427 P521 L523A382-F385 HydrophobicContact CB-CB 4.45Å; A382-F385 HydrophobicContact CB-CD2 4.15Å; A382-F385 PolarHBondContact O-N 3.14Å; F385-M387 HydrophobicContact CD1-CB 4.04Å; F385-M387 HydrophobicContact CE1-CB 4.11Å; F385-M387 HydrophobicContact CE1-SD 4.35Å; F385-M387 PolarHBondContact O-N 3.36Å; F385-L393 HydrophobicContact CE1-CD1 4.03Å; F385-L393 HydrophobicContact CZ-CD1 4Å; F385-A396 HydrophobicContact CE1-CB 3.95Å; F385-A396 HydrophobicContact CZ-CB 4.04Å; F385-L397 HydrophobicContact CE2-CD2 4.07Å; F385-L397 HydrophobicContact CZ-CD2 3.85Å; F385-L397 HydrophobicContact CZ-CG 4.5Å; F385-P405 HydrophobicContact CD2-CB 4.46Å; F385-P405 HydrophobicContact CE2-CB 4.18Å; F385-P405 HydrophobicContact CE2-CG 4.16Å; F385-L427 HydrophobicContact CD1-CD1 3.97Å; F385-L427 HydrophobicContact CE1-CD1 4.33Å; F385-L427 HydrophobicContact CG-CD1 4.1Å; F385-P521 HydrophobicContact CB-CB 4.28Å; F385-P521 HydrophobicContact CB-CG 4.46Å; F385-P521 PolarHBondContact N-O 3.24Å; F385-L523 HydrophobicContact CB-CB 4.26Å; F385-L523 HydrophobicContact CD2-CB 3.69Å; F385-L523 HydrophobicContact CD2-CD2 3.8Å; F385-L523 HydrophobicContact CD2-CG 4.42Å; F385-L523 HydrophobicContact CE2-CB 4.4Å; F385-L523 HydrophobicContact CE2-CD2 3.71Å; F385-L523 HydrophobicContact CG-CB 4.17Å
386P90.4Very high91.4Very high28 Ų2816.7 Ų16.718%0.18211%0.111CC..  trans-73.697.5-174.929.5-35.5000111.4L327 M501L327-P386 HydrophobicContact CD1-CB 3.95Å; P386-M501 HydrophobicContact CB-CE 3.89Å; P386-M501 HydrophobicContact CB-SD 3.87Å
387M90.1Very high91.2Very high5 Ų516.7 Ų16.73%0.02511%0.111CC..  trans-135.1145.1175.9-171.3165.262.700111.9F385 A396 Q433 F500 M501F385-M387 HydrophobicContact CD1-CB 4.04Å; F385-M387 HydrophobicContact CE1-CB 4.11Å; F385-M387 HydrophobicContact CE1-SD 4.35Å; F385-M387 PolarHBondContact O-N 3.36Å; M387-A396 HydrophobicContact CB-CB 4.14Å; M387-A396 HydrophobicContact CG-CB 3.97Å; M387-A396 HydrophobicContact SD-CB 4.44Å; M387-Q433 HydrophobicContact CE-CB 3.62Å; M387-Q433 HydrophobicContact CE-CG 3.43Å; M387-Q433 VanDerWaalsContact CE-CG 3.43Å; M387-Q433 HydrophobicContact SD-CB 4.26Å; M387-F500 HydrophobicContact CB-CD1 4.21Å; M387-F500 HydrophobicContact CE-CD1 3.98Å; M387-F500 HydrophobicContact CE-CE1 3.37Å; M387-F500 HydrophobicContact CE-CZ 4.28Å; M387-F500 WeakPolarHBondContact O-CA 3.17Å; M387-F500 WeakPolarHBondContact O-CB 3.27Å; M387-M501 PolarHBondContact O-N 2.91Å
388M88.8Confident90.8Very high78 Ų7818.7 Ų18.738%0.38413%0.125SC..  trans-85143.6177.7-61.4-61.9-64.500111G390 G391 Q433 M501 G503M388-G390 PolarHBondContact O-N 3.24Å; M388-G391 PolarHBondContact O-N 2.83Å; M388-Q433 PolarHBondContact O-OE1 3.34Å; M388-M501 WeakPolarHBondContact CE-O 3.24Å; M388-M501 HydrophobicContact CG-CE 4.44Å; M388-M501 HydrophobicContact SD-CB 3.66Å; M388-M501 HydrophobicContact SD-CE 3.88Å; M388-M501 VanDerWaalsContact SD-O 3.41Å; M388-G503 VanDerWaalsContact CE-CA 3.46Å
389P86.8Confident90.4Very high64 Ų6422.5 Ų22.542%0.41616%0.157SC..THydrogen-bonded Turntrans-59.1126.6173.3-18.925.9000112G391 F500 M501P389-G391 PolarHBondContact O-N 2.79Å; P389-F500 HydrophobicContact CB-CB 4.49Å; P389-F500 HydrophobicContact CG-CB 3.74Å; P389-M501 WeakPolarHBondContact CD-O 3.35Å
390G84.3Confident89.7Confident53 Ų5323.8 Ų23.855%0.54617%0.165SC..THydrogen-bonded Turntrans733.6-17700000114.5M388M388-G390 PolarHBondContact O-N 3.24Å
391G83.3Confident88.7Confident15 Ų1526.8 Ų26.816%0.15519%0.19CC..  trans-74.4170.6176.100000112.6M388 P389 K434M388-G391 PolarHBondContact O-N 2.83Å; P389-G391 PolarHBondContact O-N 2.79Å; G391-K434 PolarHBondContact O-N 2.92Å
392S89.8Confident87.8Confident7 Ų734.5 Ų34.55%0.04923%0.232CC..BIsolated β-bridgetrans-101.4153.6172.677.10000112.6D395 A396 K434S392-D395 WeakPolarHBondContact CB-OD2 3.42Å; S392-D395 PolarHBondContact N-OD2 3.07Å; S392-D395 WeakPolarHBondContact O-CB 3.46Å; S392-D395 PolarHBondContact O-N 2.78Å; S392-D395 VanDerWaalsContact O-N 3.07Å; S392-D395 PolarHBondContact OG-OD2 3.42Å; S392-A396 PolarHBondContact O-N 2.68Å; S392-A396 VanDerWaalsContact O-N 3.16Å; S392-K434 CarbonylContact C-O 3.5Å; S392-K434 WeakPolarHBondContact CA-O 3.34Å
393L90.7Very high87.3Confident2 Ų237 Ų371%0.0125%0.253CS..Hα-helixtrans-55.6-43.6175.3177.265.9000112.6F385 D395 A396 L397 L427 K434 L435 I458F385-L393 HydrophobicContact CE1-CD1 4.03Å; F385-L393 HydrophobicContact CZ-CD1 4Å; L393-D395 VanDerWaalsContact C-N 3.28Å; L393-D395 PolarHBondContact O-N 3.07Å; L393-A396 PolarHBondContact O-N 3.06Å; L393-L397 HydrophobicContact CD1-CD1 4Å; L393-L397 HydrophobicContact CD1-CD2 4.43Å; L393-L397 HydrophobicContact CD1-CG 3.98Å; L393-L397 HydrophobicContact CG-CD1 3.91Å; L393-L397 HydrophobicContact CG-CG 4.3Å; L393-L397 WeakPolarHBondContact O-CG 3.46Å; L393-L397 PolarHBondContact O-N 3.28Å; L393-L427 HydrophobicContact CD1-CD2 3.81Å; L393-L427 HydrophobicContact CD2-CD2 4.27Å; L393-K434 PolarHBondContact N-O 3.47Å; L393-L435 HydrophobicContact CB-CD2 4.46Å; L393-L435 HydrophobicContact CD2-CD2 4.16Å; L393-I458 HydrophobicContact CD2-CB 4.4Å; L393-I458 HydrophobicContact CD2-CG2 4.01Å; L393-I458 HydrophobicContact CG-CG2 4.08Å
394P90.5Very high87.1Confident0 Ų037.4 Ų37.40%026%0.255CS..Hα-helixtrans-55-39.1171.9-29.135.9000114.2S398 L449 I458P394-S398 WeakPolarHBondContact O-CB 3.45Å; P394-S398 PolarHBondContact O-N 3.49Å; P394-S398 PolarHBondContact O-OG 3.15Å; P394-L449 HydrophobicContact CB-CB 4.1Å; P394-I458 HydrophobicContact CG-CD1 3.67Å; P394-I458 HydrophobicContact CG-CG1 4.26Å; P394-I458 HydrophobicContact CG-CG2 4Å
395D89.4Confident86.7Confident76 Ų7638.1 Ų38.141%0.40626%0.259SS..Hα-helixtrans-64.8-45.2178.3-60.4-52.5000110.7S392 L393 S398 A399 H450S392-D395 WeakPolarHBondContact CB-OD2 3.42Å; S392-D395 PolarHBondContact N-OD2 3.07Å; S392-D395 WeakPolarHBondContact O-CB 3.46Å; S392-D395 PolarHBondContact O-N 2.78Å; S392-D395 VanDerWaalsContact O-N 3.07Å; S392-D395 PolarHBondContact OG-OD2 3.42Å; L393-D395 VanDerWaalsContact C-N 3.28Å; L393-D395 PolarHBondContact O-N 3.07Å; D395-S398 PolarHBondContact O-N 2.64Å; D395-A399 WeakPolarHBondContact O-CB 3.23Å; D395-A399 PolarHBondContact O-N 3.01Å; D395-H450 IonicContact OD1-NE2 2.72Å; D395-H450 PolarHBondContact OD1-NE2 3.01Å; D395-H450 VanDerWaalsContact OD1-NE2 3.13Å
396A89.9Confident86.6Confident7 Ų738.1 Ų38.16%0.05826%0.259CS..Hα-helixtrans-63.1-45.3179.400000112.1F385 M387 S392 L393 A399 C400F385-A396 HydrophobicContact CE1-CB 3.95Å; F385-A396 HydrophobicContact CZ-CB 4.04Å; M387-A396 HydrophobicContact CB-CB 4.14Å; M387-A396 HydrophobicContact CG-CB 3.97Å; M387-A396 HydrophobicContact SD-CB 4.44Å; S392-A396 PolarHBondContact O-N 2.68Å; S392-A396 VanDerWaalsContact O-N 3.16Å; L393-A396 PolarHBondContact O-N 3.06Å; A396-A399 PolarHBondContact O-N 3.19Å; A396-C400 PolarHBondContact O-N 3.02Å; A396-C400 PolarHBondContact O-SG 3.46Å
397L90.6Very high86.7Confident0 Ų040.2 Ų40.20%027%0.265CS..Hα-helixtrans-68.9-40.2177.6-64.3176.5000111.8F385 L393 A399 C400 L449 I458 L459 Y462F385-L397 HydrophobicContact CE2-CD2 4.07Å; F385-L397 HydrophobicContact CZ-CD2 3.85Å; F385-L397 HydrophobicContact CZ-CG 4.5Å; L393-L397 HydrophobicContact CD1-CD1 4Å; L393-L397 HydrophobicContact CD1-CD2 4.43Å; L393-L397 HydrophobicContact CD1-CG 3.98Å; L393-L397 HydrophobicContact CG-CD1 3.91Å; L393-L397 HydrophobicContact CG-CG 4.3Å; L393-L397 WeakPolarHBondContact O-CG 3.46Å; L393-L397 PolarHBondContact O-N 3.28Å; L397-A399 VanDerWaalsContact C-N 3.28Å; L397-A399 PolarHBondContact O-N 2.84Å; L397-C400 WeakPolarHBondContact O-CB 3.36Å; L397-C400 PolarHBondContact O-N 3.13Å; L397-C400 VanDerWaalsContact O-N 3.11Å; L397-L449 HydrophobicContact CB-CD1 4.05Å; L397-I458 HydrophobicContact CD1-CG2 3.84Å; L397-L459 HydrophobicContact CD1-CD1 4.41Å; L397-Y462 HydrophobicContact CB-CD2 4.05Å; L397-Y462 HydrophobicContact CB-CE2 4.17Å; L397-Y462 HydrophobicContact CB-CG 4.22Å; L397-Y462 HydrophobicContact CD1-CD1 4.25Å; L397-Y462 HydrophobicContact CD1-CG 4.01Å; L397-Y462 HydrophobicContact CD2-CD1 3.79Å; L397-Y462 HydrophobicContact CD2-CE1 3.84Å; L397-Y462 HydrophobicContact CD2-CG 4.25Å; L397-Y462 HydrophobicContact CG-CD1 4.41Å; L397-Y462 HydrophobicContact CG-CG 4.39Å
398S87.3Confident86.8Confident41 Ų4141 Ų4129%0.28727%0.271SS..Hα-helixtrans-66.2-31.7177-56.20000111.8P394 D395 C400 A401 T447P394-S398 WeakPolarHBondContact O-CB 3.45Å; P394-S398 PolarHBondContact O-N 3.49Å; P394-S398 PolarHBondContact O-OG 3.15Å; D395-S398 PolarHBondContact O-N 2.64Å; S398-C400 PolarHBondContact O-N 3.21Å; S398-A401 PolarHBondContact O-N 3.27Å; S398-A401 VanDerWaalsContact O-N 3.17Å; S398-T447 PolarHBondContact OG-OG1 2.87Å
399A86.5Confident87Confident83 Ų8337.3 Ų37.369%0.68625%0.252SS*.Hα-helixtrans-67.7-22174.400000113.4D395 A396 L397 A401D395-A399 WeakPolarHBondContact O-CB 3.23Å; D395-A399 PolarHBondContact O-N 3.01Å; A396-A399 PolarHBondContact O-N 3.19Å; L397-A399 VanDerWaalsContact C-N 3.28Å; L397-A399 PolarHBondContact O-N 2.84Å; A399-A401 PolarHBondContact O-N 3.38Å
400C81.4Confident87.2Confident26 Ų2634.2 Ų34.218%0.17623%0.233CC..THydrogen-bonded Turntrans-76.6-3174.4-60.50000112.9A396 L397 S398 A403A396-C400 PolarHBondContact O-N 3.02Å; A396-C400 PolarHBondContact O-SG 3.46Å; L397-C400 WeakPolarHBondContact O-CB 3.36Å; L397-C400 PolarHBondContact O-N 3.13Å; L397-C400 VanDerWaalsContact O-N 3.11Å; S398-C400 PolarHBondContact O-N 3.21Å; C400-A403 PolarHBondContact O-N 3.29Å
401A73.5Confident87.2Confident65 Ų6531.8 Ų31.854%0.53721%0.207SC..THydrogen-bonded Turntrans52.8-145.9-179.300000112.2S398 A399 A403S398-A401 PolarHBondContact O-N 3.27Å; S398-A401 VanDerWaalsContact O-N 3.17Å; A399-A401 PolarHBondContact O-N 3.38Å; A401-A403 PolarHBondContact O-N 2.64Å; A401-A403 VanDerWaalsContact O-N 3.13Å
402D75.5Confident87.3Confident162 Ų16231.1 Ų31.187%0.86620%0.2SC*.THydrogen-bonded Turntrans-79.623-179.8-58.4-37.8000113.4F466D402-F466 VanDerWaalsContact O-CE1 3.31Å; D402-F466 WeakPolarHBondContact O-CE1 2.97Å
403A85Confident86.9Confident57 Ų5734.2 Ų34.247%0.47122%0.22SC..SBendtrans-127.1143.2179.500000111C400 A401 Y462C400-A403 PolarHBondContact O-N 3.29Å; A401-A403 PolarHBondContact O-N 2.64Å; A401-A403 VanDerWaalsContact O-N 3.13Å; A403-Y462 PolarHBondContact O-OH 3.14Å
404L87.2Confident86.3Confident11 Ų1136.8 Ų36.86%0.05823%0.232CC..  trans-67.3142.6176.1-72.2161.3000110.8W406 E414 Y462 F466 Y467L404-W406 VanDerWaalsContact C-N 3.27Å; L404-W406 HydrophobicContact CB-CD2 4.47Å; L404-W406 HydrophobicContact CB-CG 4.49Å; L404-W406 HydrophobicContact CB-CZ2 4.37Å; L404-W406 HydrophobicContact CD1-CZ2 3.81Å; L404-W406 HydrophobicContact CD2-CH2 4.1Å; L404-W406 HydrophobicContact CD2-CZ2 3.57Å; L404-W406 HydrophobicContact CG-CZ2 4.11Å; L404-W406 PolarHBondContact O-N 2.8Å; L404-E414 WeakPolarHBondContact CB-OE1 3.27Å; L404-E414 WeakPolarHBondContact CD1-OE1 3.32Å; L404-Y462 HydrophobicContact CD2-CE1 4.06Å; L404-F466 HydrophobicContact CD1-CB 4.07Å; L404-F466 HydrophobicContact CD1-CD1 4.12Å; L404-F466 HydrophobicContact CD1-CD2 4.38Å; L404-F466 HydrophobicContact CD1-CG 3.93Å; L404-F466 HydrophobicContact CD2-CB 4.37Å; L404-F466 HydrophobicContact CD2-CD1 4.41Å; L404-F466 HydrophobicContact CD2-CD2 3.37Å; L404-F466 HydrophobicContact CD2-CE2 3.65Å; L404-F466 HydrophobicContact CD2-CG 3.8Å; L404-F466 HydrophobicContact CD2-CZ 4.27Å; L404-F466 HydrophobicContact CG-CB 4.41Å; L404-F466 HydrophobicContact CG-CD1 3.91Å; L404-F466 HydrophobicContact CG-CD2 3.8Å; L404-F466 HydrophobicContact CG-CE1 4.07Å; L404-F466 HydrophobicContact CG-CE2 3.99Å; L404-F466 HydrophobicContact CG-CG 3.76Å; L404-F466 HydrophobicContact CG-CZ 4.12Å; L404-Y467 HydrophobicContact CD1-CE2 3.67Å
405P86.6Confident85.3Confident19 Ų1938.6 Ų38.612%0.12325%0.247CC..SBendtrans-74.5-16.7-173.828.9-36.9000113.7A382 F385 Y462 L523A382-P405 HydrophobicContact CB-CB 4.34Å; A382-P405 WeakPolarHBondContact CB-O 3.19Å; F385-P405 HydrophobicContact CD2-CB 4.46Å; F385-P405 HydrophobicContact CE2-CB 4.18Å; F385-P405 HydrophobicContact CE2-CG 4.16Å; P405-Y462 HydrophobicContact CG-CE1 4.46Å; P405-L523 HydrophobicContact CG-CD2 3.67Å
406W91Very high84.1Confident1 Ų138.6 Ų38.60%0.00426%0.257CS..  trans-89.1163.9-174.349.650.5000112.9A382 L404 E414 V463 L523A382-W406 HydrophobicContact CB-CB 4.42Å; L404-W406 VanDerWaalsContact C-N 3.27Å; L404-W406 HydrophobicContact CB-CD2 4.47Å; L404-W406 HydrophobicContact CB-CG 4.49Å; L404-W406 HydrophobicContact CB-CZ2 4.37Å; L404-W406 HydrophobicContact CD1-CZ2 3.81Å; L404-W406 HydrophobicContact CD2-CH2 4.1Å; L404-W406 HydrophobicContact CD2-CZ2 3.57Å; L404-W406 HydrophobicContact CG-CZ2 4.11Å; L404-W406 PolarHBondContact O-N 2.8Å; W406-E414 VanDerWaalsContact CD1-OE1 3.27Å; W406-E414 PolarHBondContact NE1-OE1 3.26Å; W406-V463 HydrophobicContact CH2-CG1 4.35Å; W406-V463 HydrophobicContact CH2-CG2 3.93Å; W406-V463 HydrophobicContact CZ3-CG2 4.42Å; W406-L523 HydrophobicContact CE3-CD2 3.98Å; W406-L523 HydrophobicContact CE3-CG 4.07Å; W406-L523 HydrophobicContact CZ3-CD2 4.19Å; W406-L523 HydrophobicContact CZ3-CG 4.32Å
407K92.7Very high82.9Confident73 Ų7341.3 Ų41.332%0.31729%0.286SS..EExtended strand (participates in β ladder)trans-122.4156.2172-63.7-61175.5-159.30109.8P323 F325 Y380 G381 L409P323-K407 HydrophobicContact CB-CB 4.24Å; F325-K407 HydrophobicContact CD1-CB 4.11Å; F325-K407 HydrophobicContact CD1-CG 4.19Å; F325-K407 HydrophobicContact CE1-CB 3.67Å; F325-K407 HydrophobicContact CE1-CG 4.27Å; F325-K407 HydrophobicContact CZ-CB 4.1Å; Y380-K407 CarbonylContact C-O 3.59Å; Y380-K407 WeakPolarHBondContact CA-O 3.43Å; G381-K407 PolarHBondContact N-O 2.88Å; G381-K407 PolarHBondContact O-N 2.82Å; K407-L409 PolarHBondContact O-N 3.06Å
408P92.8Very high82.1Confident21 Ų2142.4 Ų42.414%0.13629%0.294CS..EExtended strand (participates in β ladder)trans-61.3130.3177.325.3-34000110.8P323 Y380P323-P408 HydrophobicContact CB-CG 4.14Å; P323-P408 HydrophobicContact CG-CG 4.46Å; P323-P408 WeakPolarHBondContact CG-O 3.25Å; Y380-P408 HydrophobicContact CD1-CB 4.16Å; Y380-P408 HydrophobicContact CE1-CB 4.2Å
409L92.6Very high82Confident0 Ų045.7 Ų45.70%030%0.3CS..  trans-111-6.3171.1-64.2169.4000111.5L309 T310 L311 F325 I341 L342 A345 A379 G381 K407L309-L409 CarbonylContact C-O 3.17Å; L309-L409 WeakPolarHBondContact CA-O 3.12Å; T310-L409 PolarHBondContact N-O 2.95Å; T310-L409 CarbonylContact O-C 3.49Å; T310-L409 VanDerWaalsContact O-O 3.08Å; L311-L409 HydrophobicContact CD2-CD2 3.85Å; F325-L409 HydrophobicContact CE1-CD2 4.14Å; F325-L409 HydrophobicContact CZ-CD2 3.69Å; I341-L409 HydrophobicContact CG2-CD2 4.19Å; L342-L409 HydrophobicContact CD2-CD2 4.46Å; A345-L409 HydrophobicContact CB-CD1 3.23Å; A345-L409 HydrophobicContact CB-CD2 4.35Å; A345-L409 HydrophobicContact CB-CG 4.37Å; A379-L409 HydrophobicContact CB-CB 4.34Å; A379-L409 WeakPolarHBondContact O-CA 3.49Å; A379-L409 PolarHBondContact O-N 2.79Å; G381-L409 VanDerWaalsContact N-CD1 3.35Å; K407-L409 PolarHBondContact O-N 3.06Å
410S91.4Very high82.1Confident0 Ų042 Ų420%027%0.269CS..BIsolated β-bridgetrans-108.5168.4172.7610000112.3P308 A378 A379 C412P308-S410 CarbonylContact O-C 3.55Å; P308-S410 WeakPolarHBondContact O-CA 3.35Å; P308-S410 WeakPolarHBondContact O-CB 3.36Å; A378-S410 WeakPolarHBondContact CA-OG 3.04Å; A379-S410 PolarHBondContact N-OG 3.21Å; A379-S410 PolarHBondContact O-N 2.77Å; A379-S410 VanDerWaalsContact O-N 3.13Å; A379-S410 PolarHBondContact O-OG 3.31Å; S410-C412 PolarHBondContact O-N 2.99Å
411A84.1Confident82.5Confident1 Ų142.2 Ų42.21%0.00827%0.266CS..SBendtrans-62.4-10.917500000114.5P308 T310 G314 L315 F535P308-A411 HydrophobicContact CB-CB 4.27Å; P308-A411 HydrophobicContact CG-CB 4.31Å; P308-A411 PolarHBondContact O-N 3.01Å; T310-A411 HydrophobicContact CG2-CB 3.72Å; G314-A411 WeakPolarHBondContact CA-O 3.23Å; L315-A411 HydrophobicContact CD1-CB 4.13Å; L315-A411 HydrophobicContact CG-CB 3.72Å; A411-F535 HydrophobicContact CB-CD2 4.09Å; A411-F535 HydrophobicContact CB-CE2 3.39Å; A411-F535 HydrophobicContact CB-CZ 3.67Å
412C86.1Confident83.4Confident1 Ų139.1 Ų39.11%0.00724%0.241CC..SBendtrans-89.1125.1176-174.20000110.8A378 S410 A531 L532A378-C412 HydrophobicContact CB-CB 3.85Å; S410-C412 PolarHBondContact O-N 2.99Å; C412-A531 VanDerWaalsContact SG-C 3.58Å; C412-A531 PolarHBondContact SG-O 3.28Å; C412-L532 HydrophobicContact CB-CD2 3.9Å
413P80.8Confident84.2Confident72 Ų7231.7 Ų31.747%0.46820%0.201SC..PPolyproline II helixtrans-68.3155.6171.529.7-33.9000111.1Y380 A415Y380-P413 PolarHBondContact OH-O 2.8Å; P413-A415 PolarHBondContact O-N 3.17Å
414E77.6Confident84.7Confident57 Ų5729.7 Ų29.727%0.26618%0.181SC..PPolyproline II helixtrans-72.1123.3173.3-178.7175-150.400110.1Y380 L404 W406Y380-E414 HydrophobicContact CD1-CB 4.26Å; Y380-E414 HydrophobicContact CE1-CB 3.83Å; Y380-E414 HydrophobicContact CE1-CG 4.44Å; L404-E414 WeakPolarHBondContact CB-OE1 3.27Å; L404-E414 WeakPolarHBondContact CD1-OE1 3.32Å; W406-E414 VanDerWaalsContact CD1-OE1 3.27Å; W406-E414 PolarHBondContact NE1-OE1 3.26Å
415A70.1Confident85.1Confident38 Ų3829.2 Ų29.231%0.31418%0.178SC..  trans-111.488171.600000109.2P413 G417 S418 A531P413-A415 PolarHBondContact O-N 3.17Å; A415-G417 PolarHBondContact O-N 2.84Å; A415-S418 VanDerWaalsContact O-CB 3.31Å; A415-S418 WeakPolarHBondContact O-CB 3.25Å; A415-S418 PolarHBondContact O-N 2.86Å; A415-S418 VanDerWaalsContact O-N 3.08Å; A415-S418 PolarHBondContact O-OG 3.01Å; A415-A531 HydrophobicContact CB-CB 3.84Å
416A62.8Low85.5Confident75 Ų7528.3 Ų28.362%0.6217%0.173SC*.THydrogen-bonded Turntrans-56.9130.7174.700000110.1S418A416-S418 VanDerWaalsContact C-N 3.33Å
417G64.8Low85.7Confident64 Ų6428.5 Ų28.566%0.6617%0.173SC*.THydrogen-bonded Turntrans812.4-176.900000115.7A415A415-G417 PolarHBondContact O-N 2.84Å
418S74.3Confident85.7Confident23 Ų2325.2 Ų25.216%0.16116%0.159CC..  trans-69.2148.8168.461.70000111.2A415 A416 C420 Y467A415-S418 VanDerWaalsContact O-CB 3.31Å; A415-S418 WeakPolarHBondContact O-CB 3.25Å; A415-S418 PolarHBondContact O-N 2.86Å; A415-S418 VanDerWaalsContact O-N 3.08Å; A415-S418 PolarHBondContact O-OG 3.01Å; A416-S418 VanDerWaalsContact C-N 3.33Å; S418-C420 PolarHBondContact O-N 2.83Å; S418-Y467 WeakPolarHBondContact O-CD1 3.31Å
419R85.1Confident85.6Confident111 Ų11124.3 Ų24.342%0.41915%0.153SC..  trans-67.3126.3175.5-174.6-179.6-178.6-176.53.1109.4G529 T530 D581 S583R419-G529 WeakPolarHBondContact O-CA 3.06Å; R419-T530 HydrophobicContact CB-CG2 3.96Å; R419-T530 PolarHBondContact N-OG1 3.43Å; R419-T530 PolarHBondContact O-N 2.85Å; R419-T530 PolarHBondContact O-OG1 3.21Å; R419-D581 IonicContact NH1-OD1 3.31Å; R419-D581 PolarHBondContact NH1-OD1 2.82Å; R419-S583 PolarHBondContact NH1-OG 2.87Å
420C88.4Confident85.4Confident5 Ų526.1 Ų26.13%0.03416%0.161CC..EExtended strand (participates in β ladder)trans-109.6132.2175.5-1700000110S418 G422 Q423 Y467 A470 S528S418-C420 PolarHBondContact O-N 2.83Å; C420-G422 PolarHBondContact SG-O 3.4Å; C420-Q423 HydrophobicContact CB-CG 4.25Å; C420-Q423 WeakPolarHBondContact SG-CG 3.18Å; C420-Q423 PolarHBondContact SG-NE2 2.68Å; C420-Q423 VanDerWaalsContact SG-NE2 3.43Å; C420-Y467 HydrophobicContact CB-CD1 3.86Å; C420-Y467 HydrophobicContact CB-CE1 4.36Å; C420-Y467 HydrophobicContact CB-CG 4.44Å; C420-A470 HydrophobicContact CB-CB 3.76Å; C420-A470 WeakPolarHBondContact O-CB 3.49Å; C420-S528 PolarHBondContact SG-O 3.03Å
421Y90.8Very high85.1Confident31 Ų3131.8 Ų31.812%0.12219%0.187CC..EExtended strand (participates in β ladder)trans-86.5-25.7180-52.8-65.1000112.4R374 P471 S528 T530 Y579 H580R374-Y421 VanDerWaalsContact CD-CD2 3.46Å; R374-Y421 VanDerWaalsContact CD-CE2 3.5Å; R374-Y421 VanDerWaalsContact NE-CD2 3.34Å; Y421-P471 WeakPolarHBondContact O-CD 3.35Å; Y421-P471 WeakPolarHBondContact O-CG 3.42Å; Y421-S528 PolarHBondContact N-O 2.78Å; Y421-T530 HydrophobicContact CE2-CG2 4.21Å; Y421-T530 VanDerWaalsContact OH-CG2 3.31Å; Y421-T530 WeakPolarHBondContact OH-CG2 3.49Å; Y421-Y579 HydrophobicContact CE2-CD1 4.17Å; Y421-H580 PolarHBondContact OH-O 3.43Å
422G92.1Very high85Confident0 Ų035.4 Ų35.40%022%0.224CC..EExtended strand (participates in β ladder)trans-172143.617700000112.4L369 C420 Q527 S528L369-G422 WeakPolarHBondContact CD2-O 3.45Å; C420-G422 PolarHBondContact SG-O 3.4Å; G422-Q527 WeakPolarHBondContact O-CA 3.09Å; G422-S528 PolarHBondContact N-O 3.22Å; G422-S528 PolarHBondContact O-N 3.43Å
423Q92.8Very high85Confident5 Ų536.6 Ų36.62%0.02323%0.23CC..EExtended strand (participates in β ladder)trans-134.3137.8-177-60.6-173.2-34.900111.4C420 V463 A470 P471 L472 A473 L526 Q527C420-Q423 HydrophobicContact CB-CG 4.25Å; C420-Q423 WeakPolarHBondContact SG-CG 3.18Å; C420-Q423 PolarHBondContact SG-NE2 2.68Å; C420-Q423 VanDerWaalsContact SG-NE2 3.43Å; Q423-V463 VanDerWaalsContact OE1-CG1 3.29Å; Q423-A470 HydrophobicContact CG-CB 4.25Å; Q423-P471 PolarHBondContact N-O 3.39Å; Q423-L472 HydrophobicContact CB-CD1 3.63Å; Q423-A473 PolarHBondContact O-N 2.79Å; Q423-L526 CarbonylContact C-O 3.27Å; Q423-L526 VanDerWaalsContact CA-O 3.31Å; Q423-L526 WeakPolarHBondContact CA-O 3.34Å; Q423-Q527 HydrophobicContact CG-CB 4.46Å; Q423-Q527 HydrophobicContact CG-CG 4.06Å
424W95.2Very high85.3Confident16 Ų1638.3 Ų38.36%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-125.4110.3170-165.5-66000109.3P352 A360 V365 L369 A473 S525 L526P352-W424 HydrophobicContact CB-CZ2 3.64Å; P352-W424 HydrophobicContact CG-CZ2 4.16Å; A360-W424 HydrophobicContact CB-CH2 3.4Å; A360-W424 HydrophobicContact CB-CZ2 3.88Å; A360-W424 HydrophobicContact CB-CZ3 4.36Å; V365-W424 HydrophobicContact CG1-CD2 4.38Å; V365-W424 HydrophobicContact CG1-CE3 4.32Å; V365-W424 HydrophobicContact CG2-CE3 4.34Å; V365-W424 HydrophobicContact CG2-CH2 4.17Å; V365-W424 HydrophobicContact CG2-CZ2 4.37Å; V365-W424 HydrophobicContact CG2-CZ3 4.14Å; L369-W424 HydrophobicContact CD1-CB 4.31Å; L369-W424 HydrophobicContact CD2-CB 4.33Å; W424-A473 WeakPolarHBondContact CA-O 3.32Å; W424-A473 HydrophobicContact CD2-CB 3.73Å; W424-A473 HydrophobicContact CE3-CB 3.41Å; W424-A473 VanDerWaalsContact CE3-CB 3.41Å; W424-A473 HydrophobicContact CG-CB 4.36Å; W424-A473 HydrophobicContact CH2-CB 4.04Å; W424-A473 HydrophobicContact CZ2-CB 4.32Å; W424-A473 HydrophobicContact CZ3-CB 3.6Å; W424-S525 CarbonylContact O-C 3.56Å; W424-S525 WeakPolarHBondContact O-CA 3.13Å; W424-L526 HydrophobicContact CB-CB 4.31Å; W424-L526 PolarHBondContact N-O 3.33Å; W424-L526 PolarHBondContact O-N 2.9Å
425S95.1Very high85.8Confident0 Ų037.4 Ų37.40%023%0.227CC..EExtended strand (participates in β ladder)trans-115.4133.4-179.2-50.30000112.1A473 L474 Q475 T524 S525S425-A473 PolarHBondContact N-O 3.01Å; S425-L474 CarbonylContact O-C 3.4Å; S425-L474 WeakPolarHBondContact O-CA 3.17Å; S425-Q475 PolarHBondContact O-N 3Å; S425-T524 CarbonylContact C-O 3.52Å; S425-T524 VanDerWaalsContact CA-O 3.23Å; S425-T524 WeakPolarHBondContact CA-O 3.35Å; S425-S525 WeakPolarHBondContact OG-CB 3.38Å; S425-S525 PolarHBondContact OG-OG 2.89Å
426T95.4Very high86.7Confident1 Ų139 Ų391%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-122.4121-178.2-560000109.5V351 Q475 L523 T524V351-T426 HydrophobicContact CB-CG2 4.32Å; T426-Q475 CarbonylContact C-O 3.51Å; T426-Q475 VanDerWaalsContact CA-O 3.28Å; T426-Q475 WeakPolarHBondContact CA-O 3.15Å; T426-Q475 HydrophobicContact CG2-CB 4.16Å; T426-Q475 HydrophobicContact CG2-CG 4.47Å; T426-L523 WeakPolarHBondContact O-CA 3.32Å; T426-T524 PolarHBondContact N-O 2.8Å; T426-T524 PolarHBondContact O-N 3.4Å
427L95.3Very high87.7Confident4 Ų436.3 Ų36.32%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-105.4121.1168.317865.5000109F385 L393 Y430 L459 Q475 L476 V477 L523F385-L427 HydrophobicContact CD1-CD1 3.97Å; F385-L427 HydrophobicContact CE1-CD1 4.33Å; F385-L427 HydrophobicContact CG-CD1 4.1Å; L393-L427 HydrophobicContact CD1-CD2 3.81Å; L393-L427 HydrophobicContact CD2-CD2 4.27Å; L427-Y430 HydrophobicContact CD2-CD1 4.45Å; L427-Y430 HydrophobicContact CG-CD1 4.42Å; L427-L459 HydrophobicContact CB-CD2 4.21Å; L427-Q475 PolarHBondContact N-O 3.34Å; L427-L476 HydrophobicContact CB-CD2 3.62Å; L427-L476 HydrophobicContact CD2-CD2 4.09Å; L427-L476 HydrophobicContact CG-CD2 4.37Å; L427-L476 WeakPolarHBondContact O-CA 3.35Å; L427-V477 PolarHBondContact O-N 2.9Å; L427-L523 HydrophobicContact CB-CD1 3.92Å; L427-L523 HydrophobicContact CD1-CB 3.93Å; L427-L523 HydrophobicContact CD1-CD1 4.27Å
428R93.1Very high88Confident5 Ų537.7 Ų37.72%0.01920%0.204CC..EExtended strand (participates in β ladder)trans-121.6144.3-179.5-177.6174.3-179.6-176.6-12.3111D347 V477 A479 P480 P521 I522D347-R428 IonicContact OD1-CZ 3.85Å; D347-R428 IonicContact OD1-NH1 2.97Å; D347-R428 PolarHBondContact OD1-NH1 2.89Å; D347-R428 IonicContact OD2-CZ 2.71Å; D347-R428 IonicContact OD2-NH1 3.06Å; D347-R428 PolarHBondContact OD2-NH1 2.92Å; D347-R428 IonicContact OD2-NH2 3.98Å; R428-V477 CarbonylContact C-O 2.96Å; R428-V477 VanDerWaalsContact CA-O 3.27Å; R428-V477 WeakPolarHBondContact CA-O 3.47Å; R428-V477 HydrophobicContact CB-CB 4.4Å; R428-V477 HydrophobicContact CG-CB 4.21Å; R428-V477 HydrophobicContact CG-CG1 4.2Å; R428-A479 WeakPolarHBondContact CG-O 3.32Å; R428-A479 PolarHBondContact NE-O 2.93Å; R428-P480 PolarHBondContact NH2-O 3.43Å; R428-P480 VanDerWaalsContact NH2-O 3.15Å; R428-P521 CarbonylContact O-C 3.51Å; R428-P521 VanDerWaalsContact O-CA 3.27Å; R428-P521 WeakPolarHBondContact O-CA 3.45Å; R428-I522 PolarHBondContact N-O 3.43Å; R428-I522 PolarHBondContact O-N 3.08Å
429G90.4Very high87.9Confident1 Ų139.9 Ų39.91%0.0121%0.214CC..  trans89.932.7166.900000115.5E431 V477 S478 P521G429-E431 VanDerWaalsContact C-N 3.25Å; G429-E431 PolarHBondContact O-N 2.9Å; G429-V477 PolarHBondContact N-O 3.04Å; G429-S478 CarbonylContact C-O 3.59Å; G429-S478 WeakPolarHBondContact CA-O 3.29Å; G429-P521 WeakPolarHBondContact O-CB 3.39Å
430Y88.7Confident87.3Confident39 Ų3938.2 Ų38.215%0.15322%0.219CC..  trans-89.218.6172.961.7-95.7000113L427 G432 Q433 L435 L476 V477 S478L427-Y430 HydrophobicContact CD2-CD1 4.45Å; L427-Y430 HydrophobicContact CG-CD1 4.42Å; Y430-G432 PolarHBondContact O-N 3.06Å; Y430-Q433 WeakPolarHBondContact O-CA 3.2Å; Y430-Q433 VanDerWaalsContact O-CB 3.22Å; Y430-Q433 WeakPolarHBondContact O-CB 3.34Å; Y430-Q433 WeakPolarHBondContact O-CG 3.31Å; Y430-Q433 PolarHBondContact O-N 3.26Å; Y430-L435 HydrophobicContact CD1-CD2 4.09Å; Y430-L435 HydrophobicContact CD2-CD1 4.17Å; Y430-L435 HydrophobicContact CD2-CD2 3.78Å; Y430-L435 HydrophobicContact CD2-CG 3.93Å; Y430-L435 HydrophobicContact CE1-CD1 4.5Å; Y430-L435 HydrophobicContact CE1-CD2 4.33Å; Y430-L435 HydrophobicContact CE2-CD1 3.66Å; Y430-L435 HydrophobicContact CE2-CD2 4.09Å; Y430-L435 HydrophobicContact CE2-CG 3.95Å; Y430-L435 HydrophobicContact CG-CD2 3.8Å; Y430-L435 HydrophobicContact CG-CG 4.46Å; Y430-L476 HydrophobicContact CE1-CB 3.91Å; Y430-V477 WeakPolarHBondContact CD1-O 3.38Å; Y430-V477 WeakPolarHBondContact CE1-O 3.39Å; Y430-S478 PolarHBondContact N-O 2.78Å
431E85.3Confident86.2Confident119 Ų11944.7 Ų44.756%0.55626%0.261SS*.THydrogen-bonded Turntrans-51.1127.6177.1-173.1173.4-173.100111.6G429 Q433 S478 P480G429-E431 VanDerWaalsContact C-N 3.25Å; G429-E431 PolarHBondContact O-N 2.9Å; E431-Q433 VanDerWaalsContact C-N 3.28Å; E431-Q433 PolarHBondContact O-N 2.86Å; E431-S478 WeakPolarHBondContact CB-O 3.38Å; E431-S478 PolarHBondContact N-O 2.95Å; E431-S478 VanDerWaalsContact N-O 3.08Å; E431-P480 VanDerWaalsContact OE2-CD 3.26Å; E431-P480 WeakPolarHBondContact OE2-CD 3.25Å
432G81.4Confident85.1Confident76 Ų7647.5 Ų47.578%0.78430%0.3SS*.THydrogen-bonded Turntrans78.43.1-176.800000115.5Y430Y430-G432 PolarHBondContact O-N 3.06Å
433Q86.2Confident84.3Confident27 Ų2752.4 Ų52.413%0.12633%0.325CS..SBendtrans-110.7158.9-176.2-49.6-68.5-1800111.2M387 M388 Y430 E431 F500M387-Q433 HydrophobicContact CE-CB 3.62Å; M387-Q433 HydrophobicContact CE-CG 3.43Å; M387-Q433 VanDerWaalsContact CE-CG 3.43Å; M387-Q433 HydrophobicContact SD-CB 4.26Å; M388-Q433 PolarHBondContact O-OE1 3.34Å; Y430-Q433 WeakPolarHBondContact O-CA 3.2Å; Y430-Q433 VanDerWaalsContact O-CB 3.22Å; Y430-Q433 WeakPolarHBondContact O-CB 3.34Å; Y430-Q433 WeakPolarHBondContact O-CG 3.31Å; Y430-Q433 PolarHBondContact O-N 3.26Å; E431-Q433 VanDerWaalsContact C-N 3.28Å; E431-Q433 PolarHBondContact O-N 2.86Å; Q433-F500 HydrophobicContact CG-CE1 3.79Å; Q433-F500 HydrophobicContact CG-CE2 4.23Å; Q433-F500 HydrophobicContact CG-CZ 3.58Å
434K87Confident83.5Confident107 Ų10760.5 Ų60.547%0.46536%0.362SS..BIsolated β-bridgetrans-94.9124.6-177.7-64.6179.5-179.7179.80110.5G391 S392 L393 I436 C438G391-K434 PolarHBondContact O-N 2.92Å; S392-K434 CarbonylContact C-O 3.5Å; S392-K434 WeakPolarHBondContact CA-O 3.34Å; L393-K434 PolarHBondContact N-O 3.47Å; K434-I436 VanDerWaalsContact C-N 3.32Å; K434-C438 PolarHBondContact NZ-SG 2.97Å
435L88Confident82.7Confident39 Ų3962.7 Ų62.720%0.20438%0.379CS..SBendtrans-77.8-19.9174-68.4179.5000113.2L393 Y430 I458 L476L393-L435 HydrophobicContact CB-CD2 4.46Å; L393-L435 HydrophobicContact CD2-CD2 4.16Å; Y430-L435 HydrophobicContact CD1-CD2 4.09Å; Y430-L435 HydrophobicContact CD2-CD1 4.17Å; Y430-L435 HydrophobicContact CD2-CD2 3.78Å; Y430-L435 HydrophobicContact CD2-CG 3.93Å; Y430-L435 HydrophobicContact CE1-CD1 4.5Å; Y430-L435 HydrophobicContact CE1-CD2 4.33Å; Y430-L435 HydrophobicContact CE2-CD1 3.66Å; Y430-L435 HydrophobicContact CE2-CD2 4.09Å; Y430-L435 HydrophobicContact CE2-CG 3.95Å; Y430-L435 HydrophobicContact CG-CD2 3.8Å; Y430-L435 HydrophobicContact CG-CG 4.46Å; L435-I458 WeakPolarHBondContact O-CD1 3.3Å; L435-L476 HydrophobicContact CD1-CD1 4.06Å
436I89.4Confident81.9Confident70 Ų7069.7 Ų69.736%0.35942%0.416SS..SBendtrans-125.8154.3-177.562173.6000110.6K434 I458K434-I436 VanDerWaalsContact C-N 3.32Å; I436-I458 HydrophobicContact CB-CD1 4.49Å; I436-I458 HydrophobicContact CG2-CD1 3.97Å
437S82.8Confident81.3Confident20 Ų2071.6 Ų71.614%0.1443%0.427CS..  trans-76.1134.4173.143.70000111.5L439 H450S437-L439 VanDerWaalsContact C-N 3.31Å; S437-L439 PolarHBondContact O-N 3.05Å; S437-H450 VanDerWaalsContact OG-CA 3.27Å; S437-H450 WeakPolarHBondContact OG-CA 3.4Å; S437-H450 PolarHBondContact OG-O 3.27Å
438C70.6Confident80.9Confident93 Ų9377 Ų7763%0.62846%0.462SS*.  trans-88.267.2172.3-57.60000110.2K434K434-C438 PolarHBondContact NZ-SG 2.97Å
439L72.5Confident80.6Confident69 Ų6977.6 Ų77.636%0.36147%0.466SS..PPolyproline II helixtrans-74.1135.3176.1-64.7177.6000110.4S437 P445 H450S437-L439 VanDerWaalsContact C-N 3.31Å; S437-L439 PolarHBondContact O-N 3.05Å; L439-P445 HydrophobicContact CD1-CB 3.77Å; L439-H450 HydrophobicContact CD1-CB 4.07Å; L439-H450 VanDerWaalsContact CD1-O 3.32Å; L439-H450 WeakPolarHBondContact CD1-O 3.48Å
440S72.6Confident80.5Confident76 Ų7678 Ų7853%0.53147%0.467SS..PPolyproline II helixtrans-72.3143.3170.9-630000109.8G442 I443S440-G442 PolarHBondContact O-N 3.35Å; S440-I443 PolarHBondContact O-N 3.11Å
441P65.6Low80.3Confident141 Ų14177.9 Ų77.992%0.91648%0.478SS*.THydrogen-bonded Turntrans-53.4125.1178.3-25.133.2000111.8
442G67.1Low80.4Confident90 Ų9074.8 Ų74.893%0.92847%0.465SS*.THydrogen-bonded Turntrans97.9-1.3177.900000116.3S440S440-G442 PolarHBondContact O-N 3.35Å
443I76.3Confident80.7Confident102 Ų10279.1 Ų79.152%0.52347%0.465SS..PPolyproline II helixtrans-89.8129.3170.8-59.6178.8000109.1S440S440-I443 PolarHBondContact O-N 3.11Å
444E74.9Confident80.9Confident175 Ų17579.8 Ų79.882%0.81847%0.472SS*.PPolyproline II helixtrans-67.4134.1173.4-74.5-173.6166.500110.8
445P78.5Confident80.9Confident62 Ų6274.9 Ų74.940%0.40345%0.452SS..PPolyproline II helixtrans-66.5136.4179.827.7-33.7000110.9L439 T447 H450L439-P445 HydrophobicContact CD1-CB 3.77Å; P445-T447 VanDerWaalsContact C-N 3.27Å; P445-T447 PolarHBondContact O-N 3.38Å; P445-H450 HydrophobicContact CB-CB 3.8Å
446L78.1Confident81.1Confident148 Ų14877.7 Ų77.778%0.77546%0.464SS*.SBendtrans-58.7-37.6178.3-79.5148.2000112.7
447T84.2Confident81.2Confident41 Ų4178.6 Ų78.625%0.25247%0.47SS..SBendtrans-139.6159.7174.170.50000109.7S398 P445 L449 H450S398-T447 PolarHBondContact OG-OG1 2.87Å; P445-T447 VanDerWaalsContact C-N 3.27Å; P445-T447 PolarHBondContact O-N 3.38Å; T447-L449 PolarHBondContact O-N 3.36Å; T447-H450 WeakPolarHBondContact O-CB 3.37Å; T447-H450 PolarHBondContact O-N 2.88Å; T447-H450 PolarHBondContact OG1-CE1 2.97Å; T447-H450 PolarHBondContact OG1-ND1 2.86Å
448P85.4Confident81.7Confident116 Ų11677.6 Ų77.675%0.75346%0.463SS*.G310 helixtrans-53.6-30177.4-26.735.2000113.7H450 G451P448-H450 VanDerWaalsContact C-N 3.26Å; P448-H450 PolarHBondContact O-N 2.82Å; P448-G451 PolarHBondContact O-N 3.38Å; P448-G451 VanDerWaalsContact O-N 3.1Å
449L87.1Confident82.7Confident19 Ų1973.2 Ų73.210%0.09943%0.433CS..G310 helixtrans-61.7-32.6177-58.5179.3000112.7P394 L397 T447 G451 L452 I458 A461 Y462P394-L449 HydrophobicContact CB-CB 4.1Å; L397-L449 HydrophobicContact CB-CD1 4.05Å; T447-L449 PolarHBondContact O-N 3.36Å; L449-G451 PolarHBondContact O-N 2.84Å; L449-L452 HydrophobicContact CD2-CD1 4.5Å; L449-L452 PolarHBondContact O-N 3.04Å; L449-I458 HydrophobicContact CB-CG2 4.44Å; L449-A461 HydrophobicContact CD2-CB 3.98Å; L449-Y462 HydrophobicContact CD1-CD2 3.97Å
450H88.5Confident83.7Confident9 Ų971.3 Ų71.34%0.04243%0.427CS..G310 helixtrans-75.1-10.2178.6-63.977.9000113D395 S437 L439 P445 T447 P448D395-H450 IonicContact OD1-NE2 2.72Å; D395-H450 PolarHBondContact OD1-NE2 3.01Å; D395-H450 VanDerWaalsContact OD1-NE2 3.13Å; S437-H450 VanDerWaalsContact OG-CA 3.27Å; S437-H450 WeakPolarHBondContact OG-CA 3.4Å; S437-H450 PolarHBondContact OG-O 3.27Å; L439-H450 HydrophobicContact CD1-CB 4.07Å; L439-H450 VanDerWaalsContact CD1-O 3.32Å; L439-H450 WeakPolarHBondContact CD1-O 3.48Å; P445-H450 HydrophobicContact CB-CB 3.8Å; T447-H450 WeakPolarHBondContact O-CB 3.37Å; T447-H450 PolarHBondContact O-N 2.88Å; T447-H450 PolarHBondContact OG1-CE1 2.97Å; T447-H450 PolarHBondContact OG1-ND1 2.86Å; P448-H450 VanDerWaalsContact C-N 3.26Å; P448-H450 PolarHBondContact O-N 2.82Å
451G85.5Confident84.6Confident37 Ų3769.7 Ų69.738%0.38142%0.419SS..G310 helixtrans-83.7-11.917400000114.1P448 L449P448-G451 PolarHBondContact O-N 3.38Å; P448-G451 VanDerWaalsContact O-N 3.1Å; L449-G451 PolarHBondContact O-N 2.84Å
452L87.3Confident85.8Confident54 Ų5463.7 Ų63.728%0.28338%0.378SS..  trans-88153.8-173.1-63.3172.1000112.2L449 D457 I458 A461L449-L452 HydrophobicContact CD2-CD1 4.5Å; L449-L452 PolarHBondContact O-N 3.04Å; L452-D457 HydrophobicContact CD1-CB 4.43Å; L452-I458 HydrophobicContact CB-CD1 4.34Å; L452-I458 HydrophobicContact CB-CG1 3.58Å; L452-I458 HydrophobicContact CD1-CG1 4.03Å; L452-I458 HydrophobicContact CG-CG1 4.43Å; L452-A461 HydrophobicContact CD1-CB 3.69Å
453H86.6Confident86.9Confident167 Ų16759.4 Ų59.477%0.77333%0.334SS*.SBendtrans-112-2.2-170.2-58.3-48.1000114.8
454S90.8Very high87.6Confident41 Ų4156.7 Ų56.729%0.28732%0.324SS..  trans-128.8141.1174.9-178.50000110.2E456 D457 I458S454-E456 PolarHBondContact O-N 2.88Å; S454-E456 PolarHBondContact OG-N 3.13Å; S454-D457 VanDerWaalsContact CB-OD2 3.32Å; S454-D457 WeakPolarHBondContact CB-OD2 3.38Å; S454-D457 PolarHBondContact O-N 3.44Å; S454-I458 WeakPolarHBondContact O-CD1 3.33Å; S454-I458 VanDerWaalsContact O-CG1 3.28Å; S454-I458 WeakPolarHBondContact O-CG1 3.41Å; S454-I458 PolarHBondContact O-N 2.87Å
455G87.9Confident88.3Confident4 Ų452.3 Ų52.34%0.04131%0.313CS..Hα-helixtrans-61.2-33.8173.400000112.6I458 L459G455-I458 PolarHBondContact O-N 2.88Å; G455-L459 PolarHBondContact O-N 2.85Å
456E91.3Very high88.8Confident97 Ų9751 Ų5145%0.45330%0.3SS..Hα-helixtrans-66.6-45.6176.7-66.5-179.6174.100110.4S454 I458 L459 A460 L474 L476S454-E456 PolarHBondContact O-N 2.88Å; S454-E456 PolarHBondContact OG-N 3.13Å; E456-I458 VanDerWaalsContact C-N 3.29Å; E456-I458 PolarHBondContact O-N 2.96Å; E456-L459 PolarHBondContact O-N 2.94Å; E456-A460 WeakPolarHBondContact O-CB 3.48Å; E456-A460 PolarHBondContact O-N 3.49Å; E456-L474 VanDerWaalsContact O-CD1 3.28Å; E456-L474 WeakPolarHBondContact O-CD1 3.34Å; E456-L476 HydrophobicContact CB-CD1 4.44Å; E456-L476 HydrophobicContact CG-CD1 3.6Å; E456-L476 HydrophobicContact CG-CG 3.97Å
457D91.9Very high89.3Confident89 Ų8944 Ų4448%0.47626%0.264SS..Hα-helixtrans-62.2-37.7176.9-63.9-24000111.6L452 S454 A461L452-D457 HydrophobicContact CD1-CB 4.43Å; S454-D457 VanDerWaalsContact CB-OD2 3.32Å; S454-D457 WeakPolarHBondContact CB-OD2 3.38Å; S454-D457 PolarHBondContact O-N 3.44Å; D457-A461 WeakPolarHBondContact O-CB 3.17Å; D457-A461 PolarHBondContact O-N 2.78Å
458I92.8Very high89.3Confident0 Ų047.2 Ų47.20%029%0.286CS..Hα-helixtrans-64-51.1177.7-70.9160.2000110.8L393 P394 L397 L435 I436 L449 L452 S454 G455 E456 A460 A461 Y462L393-I458 HydrophobicContact CD2-CB 4.4Å; L393-I458 HydrophobicContact CD2-CG2 4.01Å; L393-I458 HydrophobicContact CG-CG2 4.08Å; P394-I458 HydrophobicContact CG-CD1 3.67Å; P394-I458 HydrophobicContact CG-CG1 4.26Å; P394-I458 HydrophobicContact CG-CG2 4Å; L397-I458 HydrophobicContact CD1-CG2 3.84Å; L435-I458 WeakPolarHBondContact O-CD1 3.3Å; I436-I458 HydrophobicContact CB-CD1 4.49Å; I436-I458 HydrophobicContact CG2-CD1 3.97Å; L449-I458 HydrophobicContact CB-CG2 4.44Å; L452-I458 HydrophobicContact CB-CD1 4.34Å; L452-I458 HydrophobicContact CB-CG1 3.58Å; L452-I458 HydrophobicContact CD1-CG1 4.03Å; L452-I458 HydrophobicContact CG-CG1 4.43Å; S454-I458 WeakPolarHBondContact O-CD1 3.33Å; S454-I458 VanDerWaalsContact O-CG1 3.28Å; S454-I458 WeakPolarHBondContact O-CG1 3.41Å; S454-I458 PolarHBondContact O-N 2.87Å; G455-I458 PolarHBondContact O-N 2.88Å; E456-I458 VanDerWaalsContact C-N 3.29Å; E456-I458 PolarHBondContact O-N 2.96Å; I458-A460 VanDerWaalsContact C-N 3.33Å; I458-A461 PolarHBondContact O-N 3.36Å; I458-Y462 WeakPolarHBondContact O-CB 3.4Å; I458-Y462 PolarHBondContact O-N 3.37Å
459L91.8Very high89.2Confident1 Ų146 Ų461%0.00528%0.28CS..Hα-helixtrans-66.8-38.3179.3-174.960.6000111L397 L427 G455 E456 Y462 V463 L474 L476 L523L397-L459 HydrophobicContact CD1-CD1 4.41Å; L427-L459 HydrophobicContact CB-CD2 4.21Å; G455-L459 PolarHBondContact O-N 2.85Å; E456-L459 PolarHBondContact O-N 2.94Å; L459-Y462 PolarHBondContact O-N 3.08Å; L459-V463 HydrophobicContact CD1-CG2 4.19Å; L459-V463 HydrophobicContact CG-CG2 4.47Å; L459-V463 WeakPolarHBondContact O-CG2 3.12Å; L459-V463 PolarHBondContact O-N 3.17Å; L459-L474 HydrophobicContact CB-CD1 4.14Å; L459-L474 HydrophobicContact CD2-CD1 4.47Å; L459-L474 HydrophobicContact CD2-CD2 3.88Å; L459-L474 HydrophobicContact CG-CD1 4.3Å; L459-L474 HydrophobicContact CG-CD2 4.09Å; L459-L476 HydrophobicContact CD2-CD2 3.9Å; L459-L523 HydrophobicContact CD1-CD1 4.4Å; L459-L523 HydrophobicContact CD2-CD1 4.23Å
460A93Very high89.2Confident28 Ų2845.6 Ų45.623%0.23128%0.279CS..Hα-helixtrans-61.5-51.6175.300000111.2E456 I458 Y462 V463 S464 L472 L474E456-A460 WeakPolarHBondContact O-CB 3.48Å; E456-A460 PolarHBondContact O-N 3.49Å; I458-A460 VanDerWaalsContact C-N 3.33Å; A460-Y462 VanDerWaalsContact C-N 3.27Å; A460-Y462 PolarHBondContact O-N 2.7Å; A460-V463 PolarHBondContact O-N 2.84Å; A460-S464 WeakPolarHBondContact O-CB 3.45Å; A460-S464 PolarHBondContact O-N 3.34Å; A460-S464 PolarHBondContact O-OG 3.49Å; A460-L472 HydrophobicContact CB-CD2 4.28Å; A460-L474 HydrophobicContact CB-CD1 3.69Å
461A91.9Very high89.3Confident43 Ų4349 Ų4936%0.35530%0.302SS..Hα-helixtrans-59.5-39.3179.100000112.1L449 L452 D457 I458 S465L449-A461 HydrophobicContact CD2-CB 3.98Å; L452-A461 HydrophobicContact CD1-CB 3.69Å; D457-A461 WeakPolarHBondContact O-CB 3.17Å; D457-A461 PolarHBondContact O-N 2.78Å; I458-A461 PolarHBondContact O-N 3.36Å; A461-S465 PolarHBondContact O-N 3.22Å; A461-S465 VanDerWaalsContact O-N 3.16Å
462Y91.3Very high89.7Confident14 Ų1449.4 Ų49.46%0.05530%0.295CS..Hα-helixtrans-68-47.7176.3-178.7-101.9000112.5L397 A403 L404 P405 L449 I458 L459 A460 S464 S465 F466L397-Y462 HydrophobicContact CB-CD2 4.05Å; L397-Y462 HydrophobicContact CB-CE2 4.17Å; L397-Y462 HydrophobicContact CB-CG 4.22Å; L397-Y462 HydrophobicContact CD1-CD1 4.25Å; L397-Y462 HydrophobicContact CD1-CG 4.01Å; L397-Y462 HydrophobicContact CD2-CD1 3.79Å; L397-Y462 HydrophobicContact CD2-CE1 3.84Å; L397-Y462 HydrophobicContact CD2-CG 4.25Å; L397-Y462 HydrophobicContact CG-CD1 4.41Å; L397-Y462 HydrophobicContact CG-CG 4.39Å; A403-Y462 PolarHBondContact O-OH 3.14Å; L404-Y462 HydrophobicContact CD2-CE1 4.06Å; P405-Y462 HydrophobicContact CG-CE1 4.46Å; L449-Y462 HydrophobicContact CD1-CD2 3.97Å; I458-Y462 WeakPolarHBondContact O-CB 3.4Å; I458-Y462 PolarHBondContact O-N 3.37Å; L459-Y462 PolarHBondContact O-N 3.08Å; A460-Y462 VanDerWaalsContact C-N 3.27Å; A460-Y462 PolarHBondContact O-N 2.7Å; Y462-S464 PolarHBondContact O-N 3.15Å; Y462-S465 PolarHBondContact O-N 3.06Å; Y462-S465 PolarHBondContact O-OG 3.28Å; Y462-F466 HydrophobicContact CD1-CE2 4.46Å; Y462-F466 HydrophobicContact CD2-CE2 4.35Å; Y462-F466 HydrophobicContact CE1-CE2 4.01Å; Y462-F466 AromaticContact CE2-CE2 3.9Å; Y462-F466 HydrophobicContact CE2-CE2 3.9Å; Y462-F466 HydrophobicContact CE2-CZ 4.46Å; Y462-F466 AromaticContact CZ-CE2 3.71Å; Y462-F466 VanDerWaalsContact O-CD2 3.24Å; Y462-F466 WeakPolarHBondContact O-CD2 3.4Å
463V90.8Very high90Very high0 Ų048.1 Ų48.10%029%0.292CS..Hα-helixtrans-67.5-39.3179175.10000111.2W406 Q423 L459 A460 S465 F466 Y467 L472W406-V463 HydrophobicContact CH2-CG1 4.35Å; W406-V463 HydrophobicContact CH2-CG2 3.93Å; W406-V463 HydrophobicContact CZ3-CG2 4.42Å; Q423-V463 VanDerWaalsContact OE1-CG1 3.29Å; L459-V463 HydrophobicContact CD1-CG2 4.19Å; L459-V463 HydrophobicContact CG-CG2 4.47Å; L459-V463 WeakPolarHBondContact O-CG2 3.12Å; L459-V463 PolarHBondContact O-N 3.17Å; A460-V463 PolarHBondContact O-N 2.84Å; V463-S465 PolarHBondContact O-N 3.41Å; V463-F466 PolarHBondContact O-N 3.13Å; V463-Y467 HydrophobicContact CG1-CD2 4.26Å; V463-Y467 PolarHBondContact O-N 2.98Å; V463-L472 HydrophobicContact CB-CD2 3.81Å; V463-L472 HydrophobicContact CG1-CD1 4.09Å; V463-L472 HydrophobicContact CG1-CD2 3.88Å
464S89.7Confident90.4Very high45 Ų4541.7 Ų41.732%0.31526%0.264SS..Hα-helixtrans-66.4-19176.5-65.20000113.6A460 Y462 F466 Y467 P468A460-S464 WeakPolarHBondContact O-CB 3.45Å; A460-S464 PolarHBondContact O-N 3.34Å; A460-S464 PolarHBondContact O-OG 3.49Å; Y462-S464 PolarHBondContact O-N 3.15Å; S464-F466 PolarHBondContact O-N 3.19Å; S464-Y467 CarbonylContact O-C 3.6Å; S464-P468 WeakPolarHBondContact O-CA 3.31Å; S464-P468 VanDerWaalsContact O-N 3.13Å
465S89.7Confident90.5Very high84 Ų8440.9 Ų40.959%0.58726%0.255SS*.Hα-helixtrans-68-26.5171.373.10000112.4A461 Y462 V463A461-S465 PolarHBondContact O-N 3.22Å; A461-S465 VanDerWaalsContact O-N 3.16Å; Y462-S465 PolarHBondContact O-N 3.06Å; Y462-S465 PolarHBondContact O-OG 3.28Å; V463-S465 PolarHBondContact O-N 3.41Å
466F88.4Confident90.8Very high33 Ų3341.6 Ų41.615%0.14526%0.258CS..Hα-helixtrans-91.9-33.6174.7-61.9-86.3000112.4D402 L404 Y462 V463 S464D402-F466 VanDerWaalsContact O-CE1 3.31Å; D402-F466 WeakPolarHBondContact O-CE1 2.97Å; L404-F466 HydrophobicContact CD1-CB 4.07Å; L404-F466 HydrophobicContact CD1-CD1 4.12Å; L404-F466 HydrophobicContact CD1-CD2 4.38Å; L404-F466 HydrophobicContact CD1-CG 3.93Å; L404-F466 HydrophobicContact CD2-CB 4.37Å; L404-F466 HydrophobicContact CD2-CD1 4.41Å; L404-F466 HydrophobicContact CD2-CD2 3.37Å; L404-F466 HydrophobicContact CD2-CE2 3.65Å; L404-F466 HydrophobicContact CD2-CG 3.8Å; L404-F466 HydrophobicContact CD2-CZ 4.27Å; L404-F466 HydrophobicContact CG-CB 4.41Å; L404-F466 HydrophobicContact CG-CD1 3.91Å; L404-F466 HydrophobicContact CG-CD2 3.8Å; L404-F466 HydrophobicContact CG-CE1 4.07Å; L404-F466 HydrophobicContact CG-CE2 3.99Å; L404-F466 HydrophobicContact CG-CG 3.76Å; L404-F466 HydrophobicContact CG-CZ 4.12Å; Y462-F466 HydrophobicContact CD1-CE2 4.46Å; Y462-F466 HydrophobicContact CD2-CE2 4.35Å; Y462-F466 HydrophobicContact CE1-CE2 4.01Å; Y462-F466 AromaticContact CE2-CE2 3.9Å; Y462-F466 HydrophobicContact CE2-CE2 3.9Å; Y462-F466 HydrophobicContact CE2-CZ 4.46Å; Y462-F466 AromaticContact CZ-CE2 3.71Å; Y462-F466 VanDerWaalsContact O-CD2 3.24Å; Y462-F466 WeakPolarHBondContact O-CD2 3.4Å; V463-F466 PolarHBondContact O-N 3.13Å; S464-F466 PolarHBondContact O-N 3.19Å
467Y88.5Confident90.9Very high3 Ų337 Ų371%0.01224%0.237CC..  trans-130.273.1-177.2-55.4-79.1000111.6L404 S418 C420 V463 S464 S469 A470 Q527L404-Y467 HydrophobicContact CD1-CE2 3.67Å; S418-Y467 WeakPolarHBondContact O-CD1 3.31Å; C420-Y467 HydrophobicContact CB-CD1 3.86Å; C420-Y467 HydrophobicContact CB-CE1 4.36Å; C420-Y467 HydrophobicContact CB-CG 4.44Å; V463-Y467 HydrophobicContact CG1-CD2 4.26Å; V463-Y467 PolarHBondContact O-N 2.98Å; S464-Y467 CarbonylContact O-C 3.6Å; Y467-S469 VanDerWaalsContact C-N 3.29Å; Y467-S469 PolarHBondContact O-N 3.48Å; Y467-A470 PolarHBondContact O-N 3.06Å; Y467-Q527 PolarHBondContact OH-OE1 2.75Å
468P85.7Confident90.9Very high108 Ų10834.2 Ų34.270%0.70122%0.224SC*.THydrogen-bonded Turntrans-68.6-23.2-168.425-35.2000114.8S464S464-P468 WeakPolarHBondContact O-CA 3.31Å; S464-P468 VanDerWaalsContact O-N 3.13Å
469S83.4Confident90.8Very high90 Ų9035.5 Ų35.563%0.62923%0.234SC*.THydrogen-bonded Turntrans-106.32-176.854.90000113.9Y467Y467-S469 VanDerWaalsContact C-N 3.29Å; Y467-S469 PolarHBondContact O-N 3.48Å
470A86.9Confident90.8Very high11 Ų1136 Ų369%0.09124%0.238CC..SBendtrans-87.9131.1-175.500000111C420 Q423 Y467 L472C420-A470 HydrophobicContact CB-CB 3.76Å; C420-A470 WeakPolarHBondContact O-CB 3.49Å; Q423-A470 HydrophobicContact CG-CB 4.25Å; Y467-A470 PolarHBondContact O-N 3.06Å; A470-L472 PolarHBondContact O-N 3.29Å
471P91Very high90.8Very high81 Ų8134.6 Ų34.653%0.52623%0.227SC..  trans-66.212916926.3-27.9000109Y421 Q423Y421-P471 WeakPolarHBondContact O-CD 3.35Å; Y421-P471 WeakPolarHBondContact O-CG 3.42Å; Q423-P471 PolarHBondContact N-O 3.39Å
472L92.9Very high90.7Very high45 Ų4537.4 Ų37.424%0.23623%0.231CC..EExtended strand (participates in β ladder)trans-122.8120-173.8176.464.8000109.9Q423 A460 V463 A470 L474Q423-L472 HydrophobicContact CB-CD1 3.63Å; A460-L472 HydrophobicContact CB-CD2 4.28Å; V463-L472 HydrophobicContact CB-CD2 3.81Å; V463-L472 HydrophobicContact CG1-CD1 4.09Å; V463-L472 HydrophobicContact CG1-CD2 3.88Å; A470-L472 PolarHBondContact O-N 3.29Å; L472-L474 HydrophobicContact CD1-CD2 3.8Å; L472-L474 HydrophobicContact CD1-CG 4.42Å; L472-L474 HydrophobicContact CD2-CD1 4.23Å; L472-L474 HydrophobicContact CD2-CD2 3.92Å; L472-L474 HydrophobicContact CD2-CG 4.08Å; L472-L474 HydrophobicContact CG-CD2 3.83Å; L472-L474 HydrophobicContact CG-CG 3.95Å
473A94.3Very high90.7Very high27 Ų2737.1 Ų37.122%0.22323%0.23CC..EExtended strand (participates in β ladder)trans-97.3135.6164.900000109.4Q423 W424 S425Q423-A473 PolarHBondContact O-N 2.79Å; W424-A473 WeakPolarHBondContact CA-O 3.32Å; W424-A473 HydrophobicContact CD2-CB 3.73Å; W424-A473 HydrophobicContact CE3-CB 3.41Å; W424-A473 VanDerWaalsContact CE3-CB 3.41Å; W424-A473 HydrophobicContact CG-CB 4.36Å; W424-A473 HydrophobicContact CH2-CB 4.04Å; W424-A473 HydrophobicContact CZ2-CB 4.32Å; W424-A473 HydrophobicContact CZ3-CB 3.6Å; S425-A473 PolarHBondContact N-O 3.01Å
474L93.8Very high90.6Very high32 Ų3238.2 Ų38.217%0.16824%0.237CC..EExtended strand (participates in β ladder)trans-121.8143.5-179.1-67.6-178.9000111.3S425 E456 L459 A460 L472S425-L474 CarbonylContact O-C 3.4Å; S425-L474 WeakPolarHBondContact O-CA 3.17Å; E456-L474 VanDerWaalsContact O-CD1 3.28Å; E456-L474 WeakPolarHBondContact O-CD1 3.34Å; L459-L474 HydrophobicContact CB-CD1 4.14Å; L459-L474 HydrophobicContact CD2-CD1 4.47Å; L459-L474 HydrophobicContact CD2-CD2 3.88Å; L459-L474 HydrophobicContact CG-CD1 4.3Å; L459-L474 HydrophobicContact CG-CD2 4.09Å; A460-L474 HydrophobicContact CB-CD1 3.69Å; L472-L474 HydrophobicContact CD1-CD2 3.8Å; L472-L474 HydrophobicContact CD1-CG 4.42Å; L472-L474 HydrophobicContact CD2-CD1 4.23Å; L472-L474 HydrophobicContact CD2-CD2 3.92Å; L472-L474 HydrophobicContact CD2-CG 4.08Å; L472-L474 HydrophobicContact CG-CD2 3.83Å; L472-L474 HydrophobicContact CG-CG 3.95Å
475Q93.8Very high90.4Very high24 Ų2437.4 Ų37.411%0.11223%0.231CC..EExtended strand (participates in β ladder)trans-133.5118.2171.4-168.265.255.500110.2L355 S425 T426 L427 V477L355-Q475 HydrophobicContact CD1-CG 3.56Å; S425-Q475 PolarHBondContact O-N 3Å; T426-Q475 CarbonylContact C-O 3.51Å; T426-Q475 VanDerWaalsContact CA-O 3.28Å; T426-Q475 WeakPolarHBondContact CA-O 3.15Å; T426-Q475 HydrophobicContact CG2-CB 4.16Å; T426-Q475 HydrophobicContact CG2-CG 4.47Å; L427-Q475 PolarHBondContact N-O 3.34Å; Q475-V477 HydrophobicContact CG-CG2 4.01Å
476L93.5Very high90.4Very high19 Ų1933.7 Ų33.710%0.09920%0.204CC..EExtended strand (participates in β ladder)trans-104.1130.1172.8-58.4-173.8000109.6L427 Y430 L435 E456 L459L427-L476 HydrophobicContact CB-CD2 3.62Å; L427-L476 HydrophobicContact CD2-CD2 4.09Å; L427-L476 HydrophobicContact CG-CD2 4.37Å; L427-L476 WeakPolarHBondContact O-CA 3.35Å; Y430-L476 HydrophobicContact CE1-CB 3.91Å; L435-L476 HydrophobicContact CD1-CD1 4.06Å; E456-L476 HydrophobicContact CB-CD1 4.44Å; E456-L476 HydrophobicContact CG-CD1 3.6Å; E456-L476 HydrophobicContact CG-CG 3.97Å; L459-L476 HydrophobicContact CD2-CD2 3.9Å
477V93.2Very high90.5Very high0 Ų032.7 Ų32.70%020%0.2CC..EExtended strand (participates in β ladder)trans-133.8123-179.2-179.10000109.8E42 V43 V351 L355 L427 R428 G429 Y430 Q475 A479E42-V477 HydrophobicContact CB-CG1 4.41Å; E42-V477 WeakPolarHBondContact OE2-CA 3.38Å; E42-V477 VanDerWaalsContact OE2-CG1 3.24Å; E42-V477 WeakPolarHBondContact OE2-CG1 3.45Å; V43-V477 HydrophobicContact CG2-CG1 4.41Å; V351-V477 HydrophobicContact CG1-CG1 4.5Å; V351-V477 HydrophobicContact CG1-CG2 3.73Å; L355-V477 HydrophobicContact CD1-CG2 4.17Å; L355-V477 HydrophobicContact CD2-CG1 4.34Å; L355-V477 HydrophobicContact CD2-CG2 3.87Å; L427-V477 PolarHBondContact O-N 2.9Å; R428-V477 CarbonylContact C-O 2.96Å; R428-V477 VanDerWaalsContact CA-O 3.27Å; R428-V477 WeakPolarHBondContact CA-O 3.47Å; R428-V477 HydrophobicContact CB-CB 4.4Å; R428-V477 HydrophobicContact CG-CB 4.21Å; R428-V477 HydrophobicContact CG-CG1 4.2Å; G429-V477 PolarHBondContact N-O 3.04Å; Y430-V477 WeakPolarHBondContact CD1-O 3.38Å; Y430-V477 WeakPolarHBondContact CE1-O 3.39Å; Q475-V477 HydrophobicContact CG-CG2 4.01Å; V477-A479 HydrophobicContact CG1-CB 4.43Å
478S92.3Very high90.7Very high30 Ų3032.8 Ų32.821%0.2120%0.201CC..  trans-72.5-39.1-174.284.10000111.3E42 G429 Y430 E431E42-S478 PolarHBondContact OE1-OG 3.26Å; E42-S478 PolarHBondContact OE2-N 3.35Å; G429-S478 CarbonylContact C-O 3.59Å; G429-S478 WeakPolarHBondContact CA-O 3.29Å; Y430-S478 PolarHBondContact N-O 2.78Å; E431-S478 WeakPolarHBondContact CB-O 3.38Å; E431-S478 PolarHBondContact N-O 2.95Å; E431-S478 VanDerWaalsContact N-O 3.08Å
479A90.8Very high91Very high27 Ų2731.2 Ų31.222%0.22318%0.184CC..SBendtrans-64.1123-173.800000111.8R428 V477R428-A479 WeakPolarHBondContact CG-O 3.32Å; R428-A479 PolarHBondContact NE-O 2.93Å; V477-A479 HydrophobicContact CG1-CB 4.43Å
480P91.6Very high91.4Very high11 Ų1127.2 Ų27.27%0.07116%0.155CC..  trans-74.7169.4-178.332.1-36.5000112.7R428 E431 K482R428-P480 PolarHBondContact NH2-O 3.43Å; R428-P480 VanDerWaalsContact NH2-O 3.15Å; E431-P480 VanDerWaalsContact OE2-CD 3.26Å; E431-P480 WeakPolarHBondContact OE2-CD 3.25Å; P480-K482 PolarHBondContact O-N 2.77Å
481S92.3Very high91.6Very high0 Ų027.6 Ų27.60%016%0.155CC..EExtended strand (participates in β ladder)trans-79.1108.5168-660000108.4D347 S519 V520 I522D347-S481 WeakPolarHBondContact OD2-CB 3.26Å; D347-S481 PolarHBondContact OD2-OG 3.42Å; S481-S519 VanDerWaalsContact O-CA 3.25Å; S481-S519 WeakPolarHBondContact O-CA 3.44Å; S481-V520 PolarHBondContact N-O 2.99Å; S481-V520 PolarHBondContact O-N 2.95Å; S481-V520 VanDerWaalsContact O-N 3.08Å; S481-I522 WeakPolarHBondContact OG-CD1 3.41Å
482K91.6Very high91.6Very high101 Ų10124.9 Ų24.944%0.43914%0.138SC..EExtended strand (participates in β ladder)trans-75.3129.1-179-69.7179.6179.4177.20110.3L27 A30 P480L27-K482 WeakPolarHBondContact CD2-O 3.39Å; A30-K482 HydrophobicContact CB-CB 4.08Å; A30-K482 WeakPolarHBondContact O-CD 3.44Å; P480-K482 PolarHBondContact O-N 2.77Å
483L91.3Very high91.3Very high9 Ų927.1 Ų27.15%0.04716%0.155CC..  trans-105.4119.4178.3-49.9-175.9000108.5L27 L344 F487 F491 V517 S518 V520L27-L483 HydrophobicContact CD2-CD2 3.64Å; L344-L483 HydrophobicContact CD2-CD2 3.63Å; L483-F487 HydrophobicContact CB-CD1 4.37Å; L483-F487 HydrophobicContact CB-CG 4.47Å; L483-F487 HydrophobicContact CD1-CD1 4.14Å; L483-F487 HydrophobicContact CD1-CE1 4.2Å; L483-F487 HydrophobicContact CD2-CD1 4.05Å; L483-F487 HydrophobicContact CD2-CD2 4.26Å; L483-F487 HydrophobicContact CD2-CE1 4.07Å; L483-F487 HydrophobicContact CD2-CE2 4.27Å; L483-F487 HydrophobicContact CD2-CG 4.18Å; L483-F487 HydrophobicContact CD2-CZ 4.2Å; L483-F487 HydrophobicContact CG-CD1 4.43Å; L483-F491 HydrophobicContact CD1-CD2 4.42Å; L483-F491 HydrophobicContact CD1-CE1 4.47Å; L483-F491 HydrophobicContact CD1-CE2 3.34Å; L483-F491 HydrophobicContact CD1-CZ 3.37Å; L483-V517 HydrophobicContact CD1-CB 4.46Å; L483-V517 HydrophobicContact CD1-CG1 4.04Å; L483-S518 PolarHBondContact N-O 3.26Å; L483-V520 HydrophobicContact CD1-CG1 3.92Å; L483-V520 HydrophobicContact CD1-CG2 4.29Å; L483-V520 HydrophobicContact CD2-CG2 4.21Å; L483-V520 HydrophobicContact CG-CG2 4.42Å
484T87.5Confident91Very high23 Ų2329.1 Ų29.114%0.14117%0.165CC..  trans-122.6152.8174.855.40000109.8A30 R179 F487A30-T484 HydrophobicContact CB-CG2 3.71Å; A30-T484 WeakPolarHBondContact CB-OG1 3.34Å; R179-T484 VanDerWaalsContact NH1-CB 3.31Å; R179-T484 PolarHBondContact NH1-OG1 3.28Å; T484-F487 VanDerWaalsContact O-CB 3.22Å; T484-F487 WeakPolarHBondContact O-CB 3.31Å; T484-F487 PolarHBondContact O-N 3.33Å
485P85.3Confident90.8Very high28 Ų2827.7 Ų27.718%0.18216%0.157CC..THydrogen-bonded Turntrans-53.3136.2172.7-23.633.5000110.3Y165Y165-P485 HydrophobicContact CD2-CB 3.82Å; Y165-P485 HydrophobicContact CE2-CB 3.87Å
486P89.4Confident90.6Very high5 Ų528.1 Ų28.13%0.03216%0.16CC..THydrogen-bonded Turncis-94.613.11636.4-33.9000115.3F113 Y165 L167 F177 Y336F113-P486 HydrophobicContact CD1-CB 4.4Å; F113-P486 HydrophobicContact CD1-CG 4.11Å; F113-P486 HydrophobicContact CD2-CB 3.93Å; F113-P486 HydrophobicContact CD2-CG 4.14Å; F113-P486 HydrophobicContact CE1-CG 3.9Å; F113-P486 HydrophobicContact CE2-CB 4.15Å; F113-P486 HydrophobicContact CE2-CG 3.94Å; F113-P486 HydrophobicContact CG-CB 4.07Å; F113-P486 HydrophobicContact CG-CG 4.23Å; F113-P486 HydrophobicContact CZ-CB 4.49Å; F113-P486 HydrophobicContact CZ-CG 3.82Å; Y165-P486 HydrophobicContact CD2-CB 4.42Å; L167-P486 HydrophobicContact CD1-CB 3.54Å; L167-P486 HydrophobicContact CD1-CG 4.25Å; F177-P486 HydrophobicContact CB-CG 3.79Å; Y336-P486 PolarHBondContact OH-O 3.23Å
487F92.1Very high90.3Very high13 Ų1328.7 Ų28.76%0.05717%0.168CC..SBendtrans-44.9131-173.3-168.8-82.1000113.7L27 A340 L344 L483 T484 Q489 F491L27-F487 HydrophobicContact CD2-CD2 4.04Å; L27-F487 HydrophobicContact CD2-CE2 4.13Å; A340-F487 HydrophobicContact CB-CE2 3.96Å; A340-F487 HydrophobicContact CB-CZ 3.83Å; L344-F487 HydrophobicContact CD1-CE1 4.17Å; L344-F487 HydrophobicContact CD1-CE2 4.33Å; L344-F487 HydrophobicContact CD1-CZ 3.49Å; L344-F487 VanDerWaalsContact CD1-CZ 3.49Å; L344-F487 HydrophobicContact CD2-CE2 4.15Å; L344-F487 HydrophobicContact CD2-CZ 4.03Å; L344-F487 HydrophobicContact CG-CE2 3.99Å; L344-F487 HydrophobicContact CG-CZ 3.65Å; L483-F487 HydrophobicContact CB-CD1 4.37Å; L483-F487 HydrophobicContact CB-CG 4.47Å; L483-F487 HydrophobicContact CD1-CD1 4.14Å; L483-F487 HydrophobicContact CD1-CE1 4.2Å; L483-F487 HydrophobicContact CD2-CD1 4.05Å; L483-F487 HydrophobicContact CD2-CD2 4.26Å; L483-F487 HydrophobicContact CD2-CE1 4.07Å; L483-F487 HydrophobicContact CD2-CE2 4.27Å; L483-F487 HydrophobicContact CD2-CG 4.18Å; L483-F487 HydrophobicContact CD2-CZ 4.2Å; L483-F487 HydrophobicContact CG-CD1 4.43Å; T484-F487 VanDerWaalsContact O-CB 3.22Å; T484-F487 WeakPolarHBondContact O-CB 3.31Å; T484-F487 PolarHBondContact O-N 3.33Å; F487-Q489 PolarHBondContact O-N 2.64Å; F487-F491 HydrophobicContact CD1-CE2 4.29Å; F487-F491 AromaticContact CE1-CE2 3.89Å; F487-F491 HydrophobicContact CE1-CE2 3.89Å; F487-F491 AromaticContact CE1-CZ 3.86Å; F487-F491 HydrophobicContact CE1-CZ 3.86Å
488P92.3Very high90.1Very high4 Ų432.6 Ų32.63%0.02619%0.186CC..  trans-67.3133.2-171.627.5-35.5000111.6Y336 A340 I490Y336-P488 HydrophobicContact CD1-CB 4.16Å; Y336-P488 HydrophobicContact CD1-CG 4.48Å; Y336-P488 HydrophobicContact CE1-CB 3.66Å; Y336-P488 HydrophobicContact CE1-CG 4.12Å; A340-P488 HydrophobicContact CB-CG 3.55Å; P488-I490 HydrophobicContact CB-CG2 4.11Å; P488-I490 PolarHBondContact O-N 3Å
489Q91.4Very high89.9Confident76 Ų7631.2 Ų31.236%0.35518%0.176SC..  trans-84.357.5-179.1-66.5-67.8-45.100111.3F487 F491 V517F487-Q489 PolarHBondContact O-N 2.64Å; Q489-F491 PolarHBondContact O-N 2.61Å; Q489-F491 VanDerWaalsContact O-N 3.12Å; Q489-V517 PolarHBondContact NE2-O 3.43Å; Q489-V517 VanDerWaalsContact NE2-O 3.14Å
490I91.9Very high89.9Confident5 Ų530.5 Ų30.53%0.02617%0.168CC..  trans-79.824.3-178.454.7167.4000113.6L328 S329 H337 I341 P488L328-I490 CarbonylContact C-O 3.01Å; L328-I490 VanDerWaalsContact CA-O 3.3Å; L328-I490 WeakPolarHBondContact CA-O 3.35Å; L328-I490 HydrophobicContact CD2-CD1 4.47Å; L328-I490 HydrophobicContact CD2-CG1 4.37Å; S329-I490 PolarHBondContact N-O 2.8Å; H337-I490 HydrophobicContact CB-CG2 4.44Å; I341-I490 HydrophobicContact CD1-CD1 4.01Å; I341-I490 HydrophobicContact CG1-CD1 3.63Å; P488-I490 HydrophobicContact CB-CG2 4.11Å; P488-I490 PolarHBondContact O-N 3Å
491F92.6Very high89.8Confident20 Ų2032.2 Ų32.29%0.08818%0.176CC..BIsolated β-bridgetrans-95.7145.8-171.6-64.4-71.4000111.9L328 L344 L483 F487 Q489 L495 V517 V520L328-F491 HydrophobicContact CD2-CD1 3.51Å; L328-F491 HydrophobicContact CD2-CE1 3.61Å; L328-F491 HydrophobicContact CD2-CG 4.48Å; L344-F491 HydrophobicContact CD1-CZ 4.32Å; L483-F491 HydrophobicContact CD1-CD2 4.42Å; L483-F491 HydrophobicContact CD1-CE1 4.47Å; L483-F491 HydrophobicContact CD1-CE2 3.34Å; L483-F491 HydrophobicContact CD1-CZ 3.37Å; F487-F491 HydrophobicContact CD1-CE2 4.29Å; F487-F491 AromaticContact CE1-CE2 3.89Å; F487-F491 HydrophobicContact CE1-CE2 3.89Å; F487-F491 AromaticContact CE1-CZ 3.86Å; F487-F491 HydrophobicContact CE1-CZ 3.86Å; Q489-F491 PolarHBondContact O-N 2.61Å; Q489-F491 VanDerWaalsContact O-N 3.12Å; F491-L495 HydrophobicContact CB-CD1 3.91Å; F491-L495 HydrophobicContact CD1-CD1 3.94Å; F491-L495 HydrophobicContact CG-CD1 4.32Å; F491-V517 HydrophobicContact CB-CB 4.41Å; F491-V517 HydrophobicContact CB-CG2 3.64Å; F491-V517 HydrophobicContact CD2-CB 3.63Å; F491-V517 HydrophobicContact CD2-CG1 4.16Å; F491-V517 HydrophobicContact CD2-CG2 3.81Å; F491-V517 HydrophobicContact CE2-CB 4.11Å; F491-V517 HydrophobicContact CE2-CG1 4.33Å; F491-V517 HydrophobicContact CG-CB 4.02Å; F491-V517 HydrophobicContact CG-CG1 4.32Å; F491-V517 HydrophobicContact CG-CG2 3.78Å; F491-V520 HydrophobicContact CD1-CG1 4.31Å; F491-V520 HydrophobicContact CE1-CG1 3.64Å; F491-V520 HydrophobicContact CZ-CG1 3.88Å
492S89.8Confident89.3Confident24 Ų2437 Ų3717%0.16819%0.194CC..  trans-61.1143.1173.2174.90000111.3L327 T494 L495L327-S492 WeakPolarHBondContact O-CB 3.49Å; L327-S492 PolarHBondContact O-N 3.3Å; S492-T494 WeakPolarHBondContact CB-OG1 3.48Å; S492-T494 PolarHBondContact O-N 3.02Å; S492-T494 PolarHBondContact OG-N 3.26Å; S492-T494 PolarHBondContact OG-OG1 3.49Å; S492-L495 WeakPolarHBondContact O-CB 3.22Å; S492-L495 PolarHBondContact O-N 3.08Å
493P86.2Confident88Confident92 Ų9235.3 Ų35.360%0.59721%0.205SC*.THydrogen-bonded Turntrans-64.1-1017528.8-37.2000113.5L495 T514P493-L495 PolarHBondContact O-N 3.33Å; P493-T514 HydrophobicContact CB-CG2 4.05Å
494T87.8Confident86.5Confident68 Ų6838.1 Ų38.142%0.41724%0.236SC..THydrogen-bonded Turntrans-71.8-11.1173.458.70000113.1S492 R502S492-T494 WeakPolarHBondContact CB-OG1 3.48Å; S492-T494 PolarHBondContact O-N 3.02Å; S492-T494 PolarHBondContact OG-N 3.26Å; S492-T494 PolarHBondContact OG-OG1 3.49Å; T494-R502 WeakPolarHBondContact O-CG 3.42Å; T494-R502 PolarHBondContact O-N 3.34Å
495L89.6Confident84.8Confident3 Ų341.3 Ų41.32%0.01627%0.265CS..BIsolated β-bridgetrans-90.1145.9-179-62.8172.6000112.1L327 P384 F491 S492 P493 F500 M501 R502 V517L327-L495 HydrophobicContact CB-CD1 4.25Å; L327-L495 HydrophobicContact CD1-CD2 4.22Å; L327-L495 HydrophobicContact CD2-CD2 4.19Å; P384-L495 HydrophobicContact CG-CD1 3.75Å; P384-L495 HydrophobicContact CG-CD2 4.41Å; F491-L495 HydrophobicContact CB-CD1 3.91Å; F491-L495 HydrophobicContact CD1-CD1 3.94Å; F491-L495 HydrophobicContact CG-CD1 4.32Å; S492-L495 WeakPolarHBondContact O-CB 3.22Å; S492-L495 PolarHBondContact O-N 3.08Å; P493-L495 PolarHBondContact O-N 3.33Å; L495-F500 CarbonylContact C-O 3.51Å; L495-F500 WeakPolarHBondContact CA-O 3.39Å; L495-M501 HydrophobicContact CD2-CG 4.19Å; L495-R502 VanDerWaalsContact O-CZ 3.31Å; L495-R502 PolarHBondContact O-NE 2.91Å; L495-R502 PolarHBondContact O-NH2 2.99Å; L495-V517 HydrophobicContact CB-CG2 4.36Å
496D89.5Confident83.4Confident32 Ų3245.3 Ų45.317%0.17129%0.291CS..  trans-83.2-179.3167.674.111.6000112Q498 G499 F500 R502D496-Q498 PolarHBondContact O-N 3.32Å; D496-Q498 WeakPolarHBondContact OD1-CA 3.49Å; D496-Q498 PolarHBondContact OD1-N 2.92Å; D496-G499 PolarHBondContact O-N 2.85Å; D496-G499 VanDerWaalsContact O-N 3.12Å; D496-G499 PolarHBondContact OD1-N 2.82Å; D496-F500 PolarHBondContact N-O 2.91Å; D496-F500 PolarHBondContact OD1-N 3.07Å; D496-R502 HydrophobicContact CB-CG 4.18Å
497A88.9Confident81.6Confident31 Ų3150.2 Ų50.226%0.25632%0.323SS..THydrogen-bonded Turntrans-65.7-16.5-178.800000113.7P515 S518 S519A497-P515 HydrophobicContact CB-CB 4.5Å; A497-S518 PolarHBondContact O-N 2.98Å; A497-S518 PolarHBondContact O-OG 3.44Å; A497-S519 PolarHBondContact O-N 2.83Å
498Q88.4Confident79.4Confident83 Ų8355.2 Ų55.239%0.38837%0.366SS..THydrogen-bonded Turntrans-102.17.5177.5-59.9-59.1-54.900112.5D496 F500 S518 S519D496-Q498 PolarHBondContact O-N 3.32Å; D496-Q498 WeakPolarHBondContact OD1-CA 3.49Å; D496-Q498 PolarHBondContact OD1-N 2.92Å; Q498-F500 HydrophobicContact CB-CD2 3.68Å; Q498-F500 HydrophobicContact CB-CE2 3.69Å; Q498-S518 PolarHBondContact NE2-OG 3.42Å; Q498-S519 CarbonylContact C-O 3.32Å; Q498-S519 VanDerWaalsContact CA-OG 3.3Å; Q498-S519 WeakPolarHBondContact CA-OG 2.97Å; Q498-S519 VanDerWaalsContact O-O 3.07Å; Q498-S519 PolarHBondContact O-OG 3.43Å; Q498-S519 PolarHBondContact OE1-OG 3.39Å
499G88.4Confident77.3Confident0 Ų057.5 Ų57.50%039%0.39CS..SBendtrans77.717.6177.100000114.3D496 S519 P521D496-G499 PolarHBondContact O-N 2.85Å; D496-G499 VanDerWaalsContact O-N 3.12Å; D496-G499 PolarHBondContact OD1-N 2.82Å; G499-S519 WeakPolarHBondContact CA-O 3.48Å; G499-S519 PolarHBondContact N-O 2.87Å; G499-S519 VanDerWaalsContact N-O 3.15Å; G499-P521 WeakPolarHBondContact O-CD 3.22Å
500F90.6Very high75.4Confident12 Ų1257.5 Ų57.55%0.05341%0.411CS..PPolyproline II helixtrans-94.6153.8173.1-58.8-63.6000111.5M387 P389 Q433 L495 D496 Q498 P521M387-F500 HydrophobicContact CB-CD1 4.21Å; M387-F500 HydrophobicContact CE-CD1 3.98Å; M387-F500 HydrophobicContact CE-CE1 3.37Å; M387-F500 HydrophobicContact CE-CZ 4.28Å; M387-F500 WeakPolarHBondContact O-CA 3.17Å; M387-F500 WeakPolarHBondContact O-CB 3.27Å; P389-F500 HydrophobicContact CB-CB 4.49Å; P389-F500 HydrophobicContact CG-CB 3.74Å; Q433-F500 HydrophobicContact CG-CE1 3.79Å; Q433-F500 HydrophobicContact CG-CE2 4.23Å; Q433-F500 HydrophobicContact CG-CZ 3.58Å; L495-F500 CarbonylContact C-O 3.51Å; L495-F500 WeakPolarHBondContact CA-O 3.39Å; D496-F500 PolarHBondContact N-O 2.91Å; D496-F500 PolarHBondContact OD1-N 3.07Å; Q498-F500 HydrophobicContact CB-CD2 3.68Å; Q498-F500 HydrophobicContact CB-CE2 3.69Å; F500-P521 HydrophobicContact CD1-CG 4.02Å; F500-P521 HydrophobicContact CE1-CB 4.08Å; F500-P521 HydrophobicContact CE1-CG 3.8Å
501M88.3Confident73.2Confident47 Ų4766.8 Ų66.823%0.23245%0.454CS..BIsolated β-bridgetrans-76.2125.4-177.8-63.6-170-59.200111.9L327 P386 M387 M388 P389 L495L327-M501 HydrophobicContact CD1-CG 4.26Å; L327-M501 HydrophobicContact CD1-SD 4.28Å; L327-M501 HydrophobicContact CD2-CG 4.19Å; L327-M501 HydrophobicContact CD2-SD 4.1Å; P386-M501 HydrophobicContact CB-CE 3.89Å; P386-M501 HydrophobicContact CB-SD 3.87Å; M387-M501 PolarHBondContact O-N 2.91Å; M388-M501 WeakPolarHBondContact CE-O 3.24Å; M388-M501 HydrophobicContact CG-CE 4.44Å; M388-M501 HydrophobicContact SD-CB 3.66Å; M388-M501 HydrophobicContact SD-CE 3.88Å; M388-M501 VanDerWaalsContact SD-O 3.41Å; P389-M501 WeakPolarHBondContact CD-O 3.35Å; L495-M501 HydrophobicContact CD2-CG 4.19Å
502R82.8Confident71.1Confident101 Ų10171.1 Ų71.138%0.38149%0.486SS..PPolyproline II helixtrans-70.5133.3176-62.1-180-163.9-163.95.7110.7T494 L495 D496 G504T494-R502 WeakPolarHBondContact O-CG 3.42Å; T494-R502 PolarHBondContact O-N 3.34Å; L495-R502 VanDerWaalsContact O-CZ 3.31Å; L495-R502 PolarHBondContact O-NE 2.91Å; L495-R502 PolarHBondContact O-NH2 2.99Å; D496-R502 HydrophobicContact CB-CG 4.18Å; R502-G504 PolarHBondContact O-N 3.45Å
503G63.9Low69.7Low65 Ų6575.3 Ų75.367%0.6751%0.513SS*.SBendtrans-77.1117.3170.200000111.3M388M388-G503 VanDerWaalsContact CE-CA 3.46Å
504G59.7Low68.8Low68 Ų6874.5 Ų74.570%0.70151%0.506SS*.SBendtrans121.7161.517300000114.4R502R502-G504 PolarHBondContact O-N 3.45Å
505A51.5Low68.2Low90 Ų9074.3 Ų74.374%0.74451%0.506SS*.SBendtrans-60.7146.7171.900000110.2
506P55.9Low68Low112 Ų11276.2 Ų76.273%0.72752%0.518SS*.PPolyproline II helixtrans-52.7139.1172.122.8-32000108.6A508P506-A508 PolarHBondContact O-N 3.25Å
507P51.9Low68Low109 Ų10975.1 Ų75.171%0.70851%0.513SS*.PPolyproline II helixtrans-51.4119.6-17718.6-29.8000109.2G509P507-G509 PolarHBondContact O-N 2.81Å
508A46.8Very low68.1Low117 Ų11776 Ų7697%0.96752%0.517SS*.SBendtrans-71.482.3176.500000108P506P506-A508 PolarHBondContact O-N 3.25Å
509G46.8Very low68.2Low52 Ų5272.2 Ų72.254%0.53650%0.5SS..SBendtrans158.9108.7-174.400000108.1P507P507-G509 PolarHBondContact O-N 2.81Å
510G52.6Low68.5Low76 Ų7672.2 Ų72.278%0.78450%0.5SS*.SBendtrans-56.7161.9177.300000112.2
511E44.9Very low68.7Low201 Ų20171.7 Ų71.794%0.93950%0.498SS*.  trans92.436.7168.9-49.3-177.7173.400118.2
512C48.2Very low69Low111 Ų11169.5 Ų69.575%0.7549%0.487SS*.  trans-123.5108.9148-1500000109T514C512-T514 PolarHBondContact O-N 3.22Å
513P61Low69.7Low112 Ų11264.7 Ų64.773%0.72747%0.469SS*.PPolyproline II helixtrans-59.5128.4178.523.4-30.4000108.7P515P513-P515 WeakPolarHBondContact O-CD 3.32Å
514T66.4Low71.2Confident75 Ų7561.6 Ų61.646%0.4644%0.437SS..PPolyproline II helixtrans-58.5122.6173.344.60000108.1P493 C512P493-T514 HydrophobicContact CB-CG2 4.05Å; C512-T514 PolarHBondContact O-N 3.22Å
515P75.1Confident72.9Confident63 Ų6358.4 Ų58.441%0.40940%0.404SS..PPolyproline II helixtrans-56.4144.9176.622.2-34.9000110.2A497 P513A497-P515 HydrophobicContact CB-CB 4.5Å; P513-P515 WeakPolarHBondContact O-CD 3.32Å
516P85.3Confident75Confident44 Ų4454.2 Ų54.229%0.28637%0.369SS..PPolyproline II helixtrans-60.5145.3176.626.8-33.8000110.3S518P516-S518 PolarHBondContact O-N 2.93Å
517V90.3Very high76.8Confident8 Ų849.2 Ų49.25%0.04834%0.336CS..PPolyproline II helixtrans-75.4121.1176.3-175.10000107.9L483 Q489 F491 L495 S519 V520L483-V517 HydrophobicContact CD1-CB 4.46Å; L483-V517 HydrophobicContact CD1-CG1 4.04Å; Q489-V517 PolarHBondContact NE2-O 3.43Å; Q489-V517 VanDerWaalsContact NE2-O 3.14Å; F491-V517 HydrophobicContact CB-CB 4.41Å; F491-V517 HydrophobicContact CB-CG2 3.64Å; F491-V517 HydrophobicContact CD2-CB 3.63Å; F491-V517 HydrophobicContact CD2-CG1 4.16Å; F491-V517 HydrophobicContact CD2-CG2 3.81Å; F491-V517 HydrophobicContact CE2-CB 4.11Å; F491-V517 HydrophobicContact CE2-CG1 4.33Å; F491-V517 HydrophobicContact CG-CB 4.02Å; F491-V517 HydrophobicContact CG-CG1 4.32Å; F491-V517 HydrophobicContact CG-CG2 3.78Å; L495-V517 HydrophobicContact CB-CG2 4.36Å; V517-S519 WeakPolarHBondContact CG1-O 3.4Å; V517-V520 HydrophobicContact CG1-CG1 3.67Å
518S90.3Very high78.8Confident49 Ų4944 Ų4434%0.34330%0.302SS..  trans-105-18.3-174.467.80000113.2L483 A497 Q498 P516L483-S518 PolarHBondContact N-O 3.26Å; A497-S518 PolarHBondContact O-N 2.98Å; A497-S518 PolarHBondContact O-OG 3.44Å; Q498-S518 PolarHBondContact NE2-OG 3.42Å; P516-S518 PolarHBondContact O-N 2.93Å
519S92.4Very high80.9Confident4 Ų438.7 Ų38.73%0.02826%0.258CS..EExtended strand (participates in β ladder)trans-153.1158.6174.375.50000109.3S481 A497 Q498 G499 V517S481-S519 VanDerWaalsContact O-CA 3.25Å; S481-S519 WeakPolarHBondContact O-CA 3.44Å; A497-S519 PolarHBondContact O-N 2.83Å; Q498-S519 CarbonylContact C-O 3.32Å; Q498-S519 VanDerWaalsContact CA-OG 3.3Å; Q498-S519 WeakPolarHBondContact CA-OG 2.97Å; Q498-S519 VanDerWaalsContact O-O 3.07Å; Q498-S519 PolarHBondContact O-OG 3.43Å; Q498-S519 PolarHBondContact OE1-OG 3.39Å; G499-S519 WeakPolarHBondContact CA-O 3.48Å; G499-S519 PolarHBondContact N-O 2.87Å; G499-S519 VanDerWaalsContact N-O 3.15Å; V517-S519 WeakPolarHBondContact CG1-O 3.4Å
520V94Very high83Confident1 Ų137.3 Ų37.31%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-139.8141.3177.1-73.70000112.4L344 P384 S481 L483 F491 V517 I522L344-V520 HydrophobicContact CD1-CG2 4.45Å; L344-V520 HydrophobicContact CD2-CG2 4.03Å; P384-V520 HydrophobicContact CB-CB 4.13Å; P384-V520 HydrophobicContact CB-CG1 4.19Å; S481-V520 PolarHBondContact N-O 2.99Å; S481-V520 PolarHBondContact O-N 2.95Å; S481-V520 VanDerWaalsContact O-N 3.08Å; L483-V520 HydrophobicContact CD1-CG1 3.92Å; L483-V520 HydrophobicContact CD1-CG2 4.29Å; L483-V520 HydrophobicContact CD2-CG2 4.21Å; L483-V520 HydrophobicContact CG-CG2 4.42Å; F491-V520 HydrophobicContact CD1-CG1 4.31Å; F491-V520 HydrophobicContact CE1-CG1 3.64Å; F491-V520 HydrophobicContact CZ-CG1 3.88Å; V517-V520 HydrophobicContact CG1-CG1 3.67Å; V520-I522 HydrophobicContact CG2-CD1 4.04Å; V520-I522 HydrophobicContact CG2-CG1 4.05Å
521P94.7Very high84.7Confident1 Ų134.1 Ų34.11%0.00621%0.206CC..  trans-77.1140.616433-34.4000110P384 F385 R428 G429 G499 F500P384-P521 CarbonylContact C-O 3.55Å; P384-P521 VanDerWaalsContact CA-O 3.23Å; P384-P521 WeakPolarHBondContact CA-O 3.27Å; P384-P521 HydrophobicContact CB-CG 4.46Å; P384-P521 WeakPolarHBondContact CB-O 2.89Å; F385-P521 HydrophobicContact CB-CB 4.28Å; F385-P521 HydrophobicContact CB-CG 4.46Å; F385-P521 PolarHBondContact N-O 3.24Å; R428-P521 CarbonylContact O-C 3.51Å; R428-P521 VanDerWaalsContact O-CA 3.27Å; R428-P521 WeakPolarHBondContact O-CA 3.45Å; G429-P521 WeakPolarHBondContact O-CB 3.39Å; G499-P521 WeakPolarHBondContact O-CD 3.22Å; F500-P521 HydrophobicContact CD1-CG 4.02Å; F500-P521 HydrophobicContact CE1-CB 4.08Å; F500-P521 HydrophobicContact CE1-CG 3.8Å
522I95.4Very high87Confident0 Ų024.6 Ų24.60%016%0.161CC..EExtended strand (participates in β ladder)trans-136.5132.6-177.5-57.5177.7000109.2L344 A348 V383 R428 S481 V520 T524L344-I522 HydrophobicContact CB-CD1 3.87Å; L344-I522 HydrophobicContact CD2-CD1 4.01Å; L344-I522 HydrophobicContact CG-CD1 4.45Å; L344-I522 WeakPolarHBondContact O-CD1 3.44Å; A348-I522 HydrophobicContact CB-CB 4.21Å; A348-I522 HydrophobicContact CB-CG2 3.66Å; V383-I522 HydrophobicContact CG2-CG2 4.14Å; R428-I522 PolarHBondContact N-O 3.43Å; R428-I522 PolarHBondContact O-N 3.08Å; S481-I522 WeakPolarHBondContact OG-CD1 3.41Å; V520-I522 HydrophobicContact CG2-CD1 4.04Å; V520-I522 HydrophobicContact CG2-CG1 4.05Å; I522-T524 HydrophobicContact CG2-CG2 3.86Å
523L95.7Very high89.1Confident1 Ų121.2 Ų21.21%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-114.6124.9168.1175.365.5000108.5G381 A382 F385 P405 W406 T426 L427 L459G381-L523 CarbonylContact C-O 3.55Å; G381-L523 WeakPolarHBondContact CA-O 3.06Å; A382-L523 HydrophobicContact CB-CB 4.24Å; A382-L523 PolarHBondContact N-O 3.17Å; A382-L523 PolarHBondContact O-N 2.97Å; F385-L523 HydrophobicContact CB-CB 4.26Å; F385-L523 HydrophobicContact CD2-CB 3.69Å; F385-L523 HydrophobicContact CD2-CD2 3.8Å; F385-L523 HydrophobicContact CD2-CG 4.42Å; F385-L523 HydrophobicContact CE2-CB 4.4Å; F385-L523 HydrophobicContact CE2-CD2 3.71Å; F385-L523 HydrophobicContact CG-CB 4.17Å; P405-L523 HydrophobicContact CG-CD2 3.67Å; W406-L523 HydrophobicContact CE3-CD2 3.98Å; W406-L523 HydrophobicContact CE3-CG 4.07Å; W406-L523 HydrophobicContact CZ3-CD2 4.19Å; W406-L523 HydrophobicContact CZ3-CG 4.32Å; T426-L523 WeakPolarHBondContact O-CA 3.32Å; L427-L523 HydrophobicContact CB-CD1 3.92Å; L427-L523 HydrophobicContact CD1-CB 3.93Å; L427-L523 HydrophobicContact CD1-CD1 4.27Å; L459-L523 HydrophobicContact CD1-CD1 4.4Å; L459-L523 HydrophobicContact CD2-CD1 4.23Å
524T96.4Very high90.5Very high0 Ų019.4 Ų19.40%012%0.123CC..EExtended strand (participates in β ladder)trans-126.7152.817552.50000111.5A345 A348 L349 Y380 S425 T426 I522A345-T524 HydrophobicContact CB-CG2 4.17Å; A348-T524 HydrophobicContact CB-CG2 3.74Å; A348-T524 WeakPolarHBondContact CB-OG1 3.39Å; L349-T524 HydrophobicContact CD2-CG2 4.31Å; L349-T524 HydrophobicContact CG-CG2 4.19Å; Y380-T524 CarbonylContact O-C 3.46Å; Y380-T524 VanDerWaalsContact O-CA 3.25Å; Y380-T524 WeakPolarHBondContact O-CA 3.11Å; S425-T524 CarbonylContact C-O 3.52Å; S425-T524 VanDerWaalsContact CA-O 3.23Å; S425-T524 WeakPolarHBondContact CA-O 3.35Å; T426-T524 PolarHBondContact N-O 2.8Å; T426-T524 PolarHBondContact O-N 3.4Å; I522-T524 HydrophobicContact CG2-CG2 3.86Å
525S95Very high91.6Very high0 Ų016.4 Ų16.40%010%0.103CC..EExtended strand (participates in β ladder)trans-137.3126.6175.6-166.80000110.3Y380 W424 S425 Q527Y380-S525 PolarHBondContact N-O 2.82Å; Y380-S525 PolarHBondContact O-N 2.86Å; W424-S525 CarbonylContact O-C 3.56Å; W424-S525 WeakPolarHBondContact O-CA 3.13Å; S425-S525 WeakPolarHBondContact OG-CB 3.38Å; S425-S525 PolarHBondContact OG-OG 2.89Å; S525-Q527 WeakPolarHBondContact OG-CG 3.23Å; S525-Q527 PolarHBondContact OG-NE2 3.18Å
526L95.4Very high92.4Very high2 Ų213.4 Ų13.41%0.018%0.084CC..EExtended strand (participates in β ladder)trans-94.4133.4163.6-65.2171.7000108.6W270 L349 L369 V377 A378 A379 Q423 W424W270-L526 HydrophobicContact CH2-CD1 4.01Å; W270-L526 HydrophobicContact CH2-CD2 4.07Å; W270-L526 HydrophobicContact CZ3-CD2 3.93Å; L349-L526 HydrophobicContact CD1-CD2 4.38Å; L349-L526 HydrophobicContact CD2-CD1 4.2Å; L349-L526 HydrophobicContact CD2-CD2 3.59Å; L349-L526 HydrophobicContact CD2-CG 3.56Å; L369-L526 HydrophobicContact CD1-CB 3.62Å; L369-L526 HydrophobicContact CD1-CD1 3.82Å; L369-L526 HydrophobicContact CD1-CG 4.35Å; L369-L526 HydrophobicContact CD2-CB 4.31Å; V377-L526 HydrophobicContact CG2-CD2 4.28Å; A378-L526 CarbonylContact O-C 3.54Å; A378-L526 WeakPolarHBondContact O-CA 3.49Å; A379-L526 HydrophobicContact CB-CD2 3.91Å; Q423-L526 CarbonylContact C-O 3.27Å; Q423-L526 VanDerWaalsContact CA-O 3.31Å; Q423-L526 WeakPolarHBondContact CA-O 3.34Å; W424-L526 HydrophobicContact CB-CB 4.31Å; W424-L526 PolarHBondContact N-O 3.33Å; W424-L526 PolarHBondContact O-N 2.9Å
527Q93.9Very high92.7Very high8 Ų813.2 Ų13.24%0.0378%0.083CC..EExtended strand (participates in β ladder)trans-137.4133.7-177-52.7-176.2-3.800110.9A378 Y380 G422 Q423 Y467 S525A378-Q527 PolarHBondContact N-O 3.09Å; A378-Q527 PolarHBondContact O-N 3.39Å; Y380-Q527 HydrophobicContact CD2-CB 4.49Å; Y380-Q527 HydrophobicContact CD2-CG 3.93Å; Y380-Q527 HydrophobicContact CE2-CB 4Å; Y380-Q527 HydrophobicContact CE2-CG 3.89Å; G422-Q527 WeakPolarHBondContact O-CA 3.09Å; Q423-Q527 HydrophobicContact CG-CB 4.46Å; Q423-Q527 HydrophobicContact CG-CG 4.06Å; Y467-Q527 PolarHBondContact OH-OE1 2.75Å; S525-Q527 WeakPolarHBondContact OG-CG 3.23Å; S525-Q527 PolarHBondContact OG-NE2 3.18Å
528S93.8Very high92.8Very high0 Ų016.9 Ų16.90%010%0.1CC..EExtended strand (participates in β ladder)trans-106.5116.6165.5-178.60000107.6L369 C420 Y421 G422L369-S528 WeakPolarHBondContact O-CB 3.31Å; L369-S528 PolarHBondContact O-OG 3.12Å; L369-S528 VanDerWaalsContact O-OG 3.04Å; C420-S528 PolarHBondContact SG-O 3.03Å; Y421-S528 PolarHBondContact N-O 2.78Å; G422-S528 PolarHBondContact N-O 3.22Å; G422-S528 PolarHBondContact O-N 3.43Å
529G91.4Very high92.9Very high5 Ų514.7 Ų14.75%0.0528%0.084CC..EExtended strand (participates in β ladder)trans-163.3174.4-172.800000113.2R419 A531 L532 Y579R419-G529 WeakPolarHBondContact O-CA 3.06Å; G529-A531 PolarHBondContact O-N 3.08Å; G529-A531 VanDerWaalsContact O-N 3.15Å; G529-L532 WeakPolarHBondContact O-CB 3.43Å; G529-L532 PolarHBondContact O-N 2.95Å; G529-L532 VanDerWaalsContact O-N 3.14Å; G529-Y579 WeakPolarHBondContact O-CD1 3.49Å
530T90.8Very high92.9Very high22 Ų2216.2 Ų16.214%0.1359%0.091CC..THydrogen-bonded Turntrans-67.1-15.8-175.760.60000113.1R419 Y421 L532 H533 P534 Y579 D581R419-T530 HydrophobicContact CB-CG2 3.96Å; R419-T530 PolarHBondContact N-OG1 3.43Å; R419-T530 PolarHBondContact O-N 2.85Å; R419-T530 PolarHBondContact O-OG1 3.21Å; Y421-T530 HydrophobicContact CE2-CG2 4.21Å; Y421-T530 VanDerWaalsContact OH-CG2 3.31Å; Y421-T530 WeakPolarHBondContact OH-CG2 3.49Å; T530-L532 PolarHBondContact O-N 3.24Å; T530-L532 VanDerWaalsContact O-N 3.17Å; T530-H533 WeakPolarHBondContact O-CB 3.31Å; T530-H533 PolarHBondContact O-N 3.45Å; T530-H533 VanDerWaalsContact O-N 3.13Å; T530-P534 WeakPolarHBondContact O-CD 3.2Å; T530-Y579 WeakPolarHBondContact CA-O 3.32Å; T530-Y579 WeakPolarHBondContact CG2-O 3.46Å; T530-D581 HydrophobicContact CG2-CB 3.79Å
531A89.4Confident92.8Very high10 Ų1023.4 Ų23.48%0.08312%0.118CC..THydrogen-bonded Turntrans-56.2-26.4170.800000113.6C412 A415 G529 P534C412-A531 VanDerWaalsContact SG-C 3.58Å; C412-A531 PolarHBondContact SG-O 3.28Å; A415-A531 HydrophobicContact CB-CB 3.84Å; G529-A531 PolarHBondContact O-N 3.08Å; G529-A531 VanDerWaalsContact O-N 3.15Å; A531-P534 VanDerWaalsContact O-CD 3.28Å; A531-P534 WeakPolarHBondContact O-CD 3.45Å; A531-P534 VanDerWaalsContact O-CG 3.28Å; A531-P534 WeakPolarHBondContact O-CG 3.35Å
532L91.6Very high92.6Very high1 Ų124.4 Ų24.41%0.00513%0.127CC..Hα-helixtrans-75.3-24.7179.3-72.5163.6000113.4V376 A378 C412 G529 T530 F535 L536 Y579V376-L532 HydrophobicContact CG1-CD2 4.11Å; V376-L532 WeakPolarHBondContact O-CD1 3.43Å; A378-L532 HydrophobicContact CB-CD2 4.07Å; C412-L532 HydrophobicContact CB-CD2 3.9Å; G529-L532 WeakPolarHBondContact O-CB 3.43Å; G529-L532 PolarHBondContact O-N 2.95Å; G529-L532 VanDerWaalsContact O-N 3.14Å; T530-L532 PolarHBondContact O-N 3.24Å; T530-L532 VanDerWaalsContact O-N 3.17Å; L532-F535 HydrophobicContact CD2-CD1 4.4Å; L532-F535 PolarHBondContact O-N 3.2Å; L532-L536 WeakPolarHBondContact O-CG 3.16Å; L532-L536 PolarHBondContact O-N 3.04Å; L532-Y579 HydrophobicContact CB-CD1 3.84Å; L532-Y579 HydrophobicContact CB-CE1 4.19Å; L532-Y579 HydrophobicContact CB-CG 4.03Å; L532-Y579 HydrophobicContact CD1-CD1 3.84Å; L532-Y579 HydrophobicContact CD1-CE1 3.47Å; L532-Y579 VanDerWaalsContact CD1-CE1 3.47Å; L532-Y579 HydrophobicContact CG-CD1 4.48Å; L532-Y579 HydrophobicContact CG-CE1 4.49Å
533H92.4Very high92.4Very high40 Ų4024.4 Ų24.419%0.18513%0.127CC..Hα-helixtrans-56.3-56.6179177.871.6000113T530 F535 L536 S537 G576 H580T530-H533 WeakPolarHBondContact O-CB 3.31Å; T530-H533 PolarHBondContact O-N 3.45Å; T530-H533 VanDerWaalsContact O-N 3.13Å; H533-F535 VanDerWaalsContact C-N 3.25Å; H533-F535 PolarHBondContact O-N 2.74Å; H533-L536 PolarHBondContact O-N 3Å; H533-S537 PolarHBondContact CE1-OG 3.26Å; H533-S537 WeakPolarHBondContact O-CB 3.24Å; H533-S537 PolarHBondContact O-N 3.42Å; H533-S537 PolarHBondContact O-OG 3.33Å; H533-S537 VanDerWaalsContact O-OG 3.12Å; H533-G576 PolarHBondContact ND1-O 3.41Å; H533-H580 AromaticContact CD2-ND1 3.81Å; H533-H580 AromaticContact CE1-ND1 3.66Å; H533-H580 AromaticContact NE2-ND1 3.34Å; H533-H580 PolarHBondContact NE2-ND1 2.92Å
534P89.9Confident92.2Very high74 Ų7426.8 Ų26.848%0.48115%0.146SC..Hα-helixtrans-60.7-34.9-179.623.9-35.1000112.7T530 A531 E538T530-P534 WeakPolarHBondContact O-CD 3.2Å; A531-P534 VanDerWaalsContact O-CD 3.28Å; A531-P534 WeakPolarHBondContact O-CD 3.45Å; A531-P534 VanDerWaalsContact O-CG 3.28Å; A531-P534 WeakPolarHBondContact O-CG 3.35Å; P534-E538 VanDerWaalsContact O-CB 3.24Å; P534-E538 WeakPolarHBondContact O-CB 3.48Å; P534-E538 PolarHBondContact O-N 3.3Å
535F90.4Very high91.8Very high11 Ų1132 Ų325%0.04818%0.178CC..Hα-helixtrans-63.5-51.6175.5161.6-108.3000111.9P308 L315 A411 L532 H533 E538 L539P308-F535 HydrophobicContact CG-CE1 4.06Å; P308-F535 HydrophobicContact CG-CZ 4.17Å; L315-F535 HydrophobicContact CB-CE2 4.31Å; L315-F535 HydrophobicContact CD1-CE2 4.44Å; L315-F535 HydrophobicContact CD1-CZ 4.11Å; L315-F535 HydrophobicContact CG-CE2 4.39Å; A411-F535 HydrophobicContact CB-CD2 4.09Å; A411-F535 HydrophobicContact CB-CE2 3.39Å; A411-F535 HydrophobicContact CB-CZ 3.67Å; L532-F535 HydrophobicContact CD2-CD1 4.4Å; L532-F535 PolarHBondContact O-N 3.2Å; H533-F535 VanDerWaalsContact C-N 3.25Å; H533-F535 PolarHBondContact O-N 2.74Å; F535-E538 PolarHBondContact O-N 3.47Å; F535-L539 HydrophobicContact CZ-CD2 4.28Å; F535-L539 WeakPolarHBondContact O-CB 3.26Å; F535-L539 PolarHBondContact O-N 3.14Å
536L92.9Very high91.3Very high0 Ų033 Ų330%018%0.183CC..Hα-helixtrans-64.9-41.1180-68172.3000111.5T296 L532 H533 L539 Q540 L572 L575 Y579T296-L536 HydrophobicContact CG2-CD2 4.12Å; L532-L536 WeakPolarHBondContact O-CG 3.16Å; L532-L536 PolarHBondContact O-N 3.04Å; H533-L536 PolarHBondContact O-N 3Å; L536-L539 PolarHBondContact O-N 3.38Å; L536-Q540 WeakPolarHBondContact O-CB 3.33Å; L536-Q540 PolarHBondContact O-N 3.33Å; L536-L572 HydrophobicContact CD2-CD1 3.98Å; L536-L575 HydrophobicContact CD1-CG 4.3Å; L536-Y579 HydrophobicContact CD1-CD2 3.68Å; L536-Y579 HydrophobicContact CD1-CE2 3.69Å
537S91.8Very high90.7Very high40 Ų4036.3 Ų36.328%0.2820%0.201SC..Hα-helixtrans-65.8-37.3175.6-63.80000112.6H533 R541H533-S537 PolarHBondContact CE1-OG 3.26Å; H533-S537 WeakPolarHBondContact O-CB 3.24Å; H533-S537 PolarHBondContact O-N 3.42Å; H533-S537 PolarHBondContact O-OG 3.33Å; H533-S537 VanDerWaalsContact O-OG 3.12Å; S537-R541 WeakPolarHBondContact O-CB 3Å; S537-R541 PolarHBondContact O-N 2.56Å
538E91.2Very high90.2Very high86 Ų8636 Ų3640%0.40220%0.199SC..Hα-helixtrans-66.2-45.1174.5-175.3177.8178.700111.5P534 F535 R541 A542P534-E538 VanDerWaalsContact O-CB 3.24Å; P534-E538 WeakPolarHBondContact O-CB 3.48Å; P534-E538 PolarHBondContact O-N 3.3Å; F535-E538 PolarHBondContact O-N 3.47Å; E538-R541 PolarHBondContact O-N 3.39Å; E538-A542 WeakPolarHBondContact O-CB 3.4Å; E538-A542 PolarHBondContact O-N 3.06Å
539L91.5Very high89.7Confident2 Ų243.8 Ų43.81%0.0123%0.229CC..Hα-helixtrans-59.7-48177.3-175.959.9000111.1L289 A292 A293 T296 L315 F535 L536 A542 A543 L572L289-L539 HydrophobicContact CD1-CD1 3.78Å; A292-L539 HydrophobicContact CB-CD1 4.45Å; A293-L539 HydrophobicContact CB-CD1 4.16Å; A293-L539 HydrophobicContact CB-CG 4.07Å; T296-L539 HydrophobicContact CG2-CD2 4.43Å; L315-L539 HydrophobicContact CB-CD1 4.32Å; F535-L539 HydrophobicContact CZ-CD2 4.28Å; F535-L539 WeakPolarHBondContact O-CB 3.26Å; F535-L539 PolarHBondContact O-N 3.14Å; L536-L539 PolarHBondContact O-N 3.38Å; L539-A542 PolarHBondContact O-N 2.67Å; L539-A543 WeakPolarHBondContact O-CB 3.42Å; L539-A543 PolarHBondContact O-N 3.3Å; L539-L572 HydrophobicContact CD2-CD2 4.33Å; L539-L572 HydrophobicContact CG-CD2 4.13Å
540Q94Very high89.4Confident36 Ų3653.4 Ų53.417%0.16826%0.263CS..Hα-helixtrans-60.2-50.5177.2-170.1-84.3-18.700111.7L536 A542 A543 A544 L569 L572 R573L536-Q540 WeakPolarHBondContact O-CB 3.33Å; L536-Q540 PolarHBondContact O-N 3.33Å; Q540-A542 VanDerWaalsContact C-N 3.34Å; Q540-A542 PolarHBondContact O-N 3.21Å; Q540-A543 PolarHBondContact O-N 3.28Å; Q540-A544 VanDerWaalsContact O-CB 3.25Å; Q540-A544 WeakPolarHBondContact O-CB 3.32Å; Q540-A544 PolarHBondContact O-N 2.93Å; Q540-L569 WeakPolarHBondContact CG-O 3.34Å; Q540-L572 HydrophobicContact CB-CB 4.41Å; Q540-L572 HydrophobicContact CB-CD2 3.81Å; Q540-L572 HydrophobicContact CB-CG 3.91Å; Q540-L572 HydrophobicContact CG-CB 4.19Å; Q540-L572 HydrophobicContact CG-CD2 4.32Å; Q540-L572 HydrophobicContact CG-CG 4.25Å; Q540-R573 HydrophobicContact CG-CB 4.04Å
541R91.9Very high88.8Confident152 Ų15259.7 Ų59.757%0.57429%0.285SS*.Hα-helixtrans-63.4-41.1-179.5-179-18058.3116.73.9111.7S537 E538 A543 A544 T545S537-R541 WeakPolarHBondContact O-CB 3Å; S537-R541 PolarHBondContact O-N 2.56Å; E538-R541 PolarHBondContact O-N 3.39Å; R541-A543 VanDerWaalsContact C-N 3.33Å; R541-A543 PolarHBondContact O-N 3.05Å; R541-A544 PolarHBondContact O-N 2.99Å; R541-T545 HydrophobicContact CG-CG2 4.24Å; R541-T545 WeakPolarHBondContact O-CB 3.31Å; R541-T545 WeakPolarHBondContact O-CG2 3.27Å; R541-T545 PolarHBondContact O-N 3.15Å; R541-T545 PolarHBondContact O-OG1 2.9Å
542A90.6Very high88.5Confident23 Ų2359.4 Ų59.419%0.1928%0.282CS..Hα-helixtrans-64.8-38.8178.700000111.5L289 E538 L539 Q540 T545L289-A542 HydrophobicContact CD1-CB 3.94Å; L289-A542 HydrophobicContact CD2-CB 3.83Å; L289-A542 HydrophobicContact CG-CB 4.45Å; E538-A542 WeakPolarHBondContact O-CB 3.4Å; E538-A542 PolarHBondContact O-N 3.06Å; L539-A542 PolarHBondContact O-N 2.67Å; Q540-A542 VanDerWaalsContact C-N 3.34Å; Q540-A542 PolarHBondContact O-N 3.21Å; A542-T545 PolarHBondContact O-OG1 2.77Å
543A91.3Very high88Confident0 Ų063.1 Ų63.10%031%0.306CS..Hα-helixtrans-73.7-38.9175.100000112.8L290 A293 L539 Q540 R541 F546 Y565 L569L290-A543 HydrophobicContact CD2-CB 4.33Å; A293-A543 HydrophobicContact CB-CB 3.88Å; L539-A543 WeakPolarHBondContact O-CB 3.42Å; L539-A543 PolarHBondContact O-N 3.3Å; Q540-A543 PolarHBondContact O-N 3.28Å; R541-A543 VanDerWaalsContact C-N 3.33Å; R541-A543 PolarHBondContact O-N 3.05Å; A543-F546 PolarHBondContact O-N 2.97Å; A543-Y565 PolarHBondContact O-OH 3.32Å; A543-L569 HydrophobicContact CB-CD2 3.62Å
544A90.4Very high87.5Confident50 Ų5064 Ų6441%0.41332%0.317SS..Hα-helixtrans-70.9-38.2-179.200000113.3Q540 R541 F546 L569Q540-A544 VanDerWaalsContact O-CB 3.25Å; Q540-A544 WeakPolarHBondContact O-CB 3.32Å; Q540-A544 PolarHBondContact O-N 2.93Å; R541-A544 PolarHBondContact O-N 2.99Å; A544-F546 PolarHBondContact O-N 3.31Å; A544-L569 HydrophobicContact CB-CD1 4.08Å
545T88.1Confident87.3Confident110 Ų11060.5 Ų60.568%0.67529%0.294SS*.THydrogen-bonded Turntrans-69-13.7176.653.20000113R541 A542R541-T545 HydrophobicContact CG-CG2 4.24Å; R541-T545 WeakPolarHBondContact O-CB 3.31Å; R541-T545 WeakPolarHBondContact O-CG2 3.27Å; R541-T545 PolarHBondContact O-N 3.15Å; R541-T545 PolarHBondContact O-OG1 2.9Å; A542-T545 PolarHBondContact O-OG1 2.77Å
546F84.3Confident87Confident22 Ų2261.8 Ų61.810%0.09630%0.301CS..SBendtrans-87.7111.6-179.6-174.8-102.6000111.3R286 L290 A543 A544 V548 R551 A552R286-F546 HydrophobicContact CB-CE1 4.48Å; R286-F546 HydrophobicContact CB-CE2 4.2Å; R286-F546 HydrophobicContact CB-CZ 3.99Å; R286-F546 VanDerWaalsContact CD-CE2 3.47Å; R286-F546 HydrophobicContact CG-CD2 4.49Å; R286-F546 HydrophobicContact CG-CE2 3.83Å; R286-F546 HydrophobicContact CG-CZ 4.09Å; L290-F546 HydrophobicContact CD1-CD1 4Å; L290-F546 HydrophobicContact CD1-CE1 3.89Å; L290-F546 HydrophobicContact CD2-CD1 4.09Å; L290-F546 HydrophobicContact CG-CD1 4.39Å; A543-F546 PolarHBondContact O-N 2.97Å; A544-F546 PolarHBondContact O-N 3.31Å; F546-V548 HydrophobicContact CD1-CB 4.46Å; F546-V548 HydrophobicContact CD1-CG2 3.83Å; F546-V548 HydrophobicContact CE1-CB 4.49Å; F546-V548 HydrophobicContact CE1-CG2 4.26Å; F546-V548 PolarHBondContact O-N 3.01Å; F546-R551 HydrophobicContact CE1-CB 4.29Å; F546-R551 HydrophobicContact CE2-CB 3.57Å; F546-R551 HydrophobicContact CE2-CG 4.31Å; F546-R551 HydrophobicContact CZ-CB 3.42Å; F546-R551 VanDerWaalsContact CZ-CB 3.42Å; F546-A552 HydrophobicContact CE1-CB 3.62Å; F546-A552 HydrophobicContact CZ-CB 3.83Å
547D82.4Confident86.3Confident71 Ų7166.1 Ų66.138%0.3833%0.331SS..  trans-71.488.7173.3-177.8-8.2000110.8R549 R550 R551D547-R549 VanDerWaalsContact C-N 3.29Å; D547-R549 PolarHBondContact O-N 2.9Å; D547-R549 PolarHBondContact OD1-N 3.07Å; D547-R550 HydrophobicContact CB-CB 4.38Å; D547-R550 VanDerWaalsContact CG-CB 3.5Å; D547-R550 PolarHBondContact O-N 3.22Å; D547-R550 PolarHBondContact OD1-N 2.89Å; D547-R550 WeakPolarHBondContact OD2-CB 3.1Å; D547-R551 VanDerWaalsContact O-CB 3.29Å; D547-R551 WeakPolarHBondContact O-CB 3.49Å; D547-R551 PolarHBondContact O-N 3.25Å
548V84.5Confident85.4Confident0 Ų069.4 Ų69.40%034%0.342CS..Hα-helixtrans-58.1-40.9-179.2-1720000111.1L290 F546 R550 A552 F555 L556 Y565L290-V548 HydrophobicContact CD1-CG1 4.39Å; L290-V548 HydrophobicContact CD1-CG2 4.18Å; L290-V548 HydrophobicContact CD2-CG2 4.14Å; F546-V548 HydrophobicContact CD1-CB 4.46Å; F546-V548 HydrophobicContact CD1-CG2 3.83Å; F546-V548 HydrophobicContact CE1-CB 4.49Å; F546-V548 HydrophobicContact CE1-CG2 4.26Å; F546-V548 PolarHBondContact O-N 3.01Å; V548-R550 PolarHBondContact O-N 2.58Å; V548-A552 HydrophobicContact CG1-CB 4.17Å; V548-A552 CarbonylContact O-C 3.59Å; V548-A552 VanDerWaalsContact O-CA 3.3Å; V548-A552 WeakPolarHBondContact O-CA 3.45Å; V548-A552 PolarHBondContact O-N 3.07Å; V548-F555 HydrophobicContact CG1-CB 4.2Å; V548-F555 HydrophobicContact CG1-CD1 4.11Å; V548-F555 HydrophobicContact CG1-CG 4.5Å; V548-L556 HydrophobicContact CB-CD1 4.36Å; V548-L556 HydrophobicContact CG1-CD1 3.86Å; V548-L556 HydrophobicContact CG1-CD2 3.96Å; V548-L556 HydrophobicContact CG1-CG 3.66Å; V548-Y565 HydrophobicContact CG2-CD1 4.46Å; V548-Y565 HydrophobicContact CG2-CE1 3.75Å; V548-Y565 HydrophobicContact CG2-CE2 4.32Å
549R83.9Confident84.5Confident165 Ų16566.4 Ų66.462%0.62333%0.334SS*.Hα-helixtrans-62.3-42.3-177.4-69.3-177.8175.1-172.7-3.2111.9D547 L556 M562D547-R549 VanDerWaalsContact C-N 3.29Å; D547-R549 PolarHBondContact O-N 2.9Å; D547-R549 PolarHBondContact OD1-N 3.07Å; R549-L556 HydrophobicContact CG-CD1 3.99Å; R549-M562 HydrophobicContact CG-SD 3.95Å
550R83.3Confident83.7Confident206 Ų20667.1 Ų67.178%0.77734%0.339SS*.Hα-helixtrans-84.7-38.4-178.9-176.7179.4-92.1-167.1-4.5112.8D547 V548D547-R550 HydrophobicContact CB-CB 4.38Å; D547-R550 VanDerWaalsContact CG-CB 3.5Å; D547-R550 PolarHBondContact O-N 3.22Å; D547-R550 PolarHBondContact OD1-N 2.89Å; D547-R550 WeakPolarHBondContact OD2-CB 3.1Å; V548-R550 PolarHBondContact O-N 2.58Å
551R79.9Confident83.4Confident155 Ų15572.1 Ų72.159%0.58536%0.362SS*.Hα-helixtrans-104-12.2-167.3-63.9-173.2173.6-167.60.7114.5F546 D547F546-R551 HydrophobicContact CE1-CB 4.29Å; F546-R551 HydrophobicContact CE2-CB 3.57Å; F546-R551 HydrophobicContact CE2-CG 4.31Å; F546-R551 HydrophobicContact CZ-CB 3.42Å; F546-R551 VanDerWaalsContact CZ-CB 3.42Å; D547-R551 VanDerWaalsContact O-CB 3.29Å; D547-R551 WeakPolarHBondContact O-CB 3.49Å; D547-R551 PolarHBondContact O-N 3.25Å
552A81.6Confident83.1Confident3 Ų366.7 Ų66.73%0.02534%0.344CS..  trans-151.951.4-178.400000112.3Y287 F546 V548 S554 F555Y287-A552 HydrophobicContact CE1-CB 3.88Å; F546-A552 HydrophobicContact CE1-CB 3.62Å; F546-A552 HydrophobicContact CZ-CB 3.83Å; V548-A552 HydrophobicContact CG1-CB 4.17Å; V548-A552 CarbonylContact O-C 3.59Å; V548-A552 VanDerWaalsContact O-CA 3.3Å; V548-A552 WeakPolarHBondContact O-CA 3.45Å; V548-A552 PolarHBondContact O-N 3.07Å; A552-S554 PolarHBondContact O-N 3.16Å; A552-S554 VanDerWaalsContact O-N 3.14Å; A552-F555 HydrophobicContact CB-CB 4.06Å; A552-F555 WeakPolarHBondContact O-CB 3.49Å; A552-F555 PolarHBondContact O-N 2.77Å
553P81.6Confident83Confident80 Ų8068.4 Ų68.452%0.51936%0.359SS..Hα-helixtrans-60-30-176.425.4-34.9000113.1F555 L556 S557P553-F555 VanDerWaalsContact C-N 3.26Å; P553-F555 PolarHBondContact O-N 3.33Å; P553-L556 PolarHBondContact O-N 2.66Å; P553-S557 PolarHBondContact O-N 2.86Å
554S82.9Confident82.9Confident58 Ų5872 Ų7241%0.40638%0.378SS..Hα-helixtrans-62.9-28.6173.834.60000113.6Y287 A552 L556 S557Y287-S554 PolarHBondContact OH-OG 3.36Å; A552-S554 PolarHBondContact O-N 3.16Å; A552-S554 VanDerWaalsContact O-N 3.14Å; S554-L556 VanDerWaalsContact C-N 3.28Å; S554-L556 PolarHBondContact O-N 2.91Å; S554-S557 PolarHBondContact O-N 3.13Å; S554-S557 PolarHBondContact O-OG 3.04Å
555F84.5Confident82.9Confident0 Ų069.9 Ų69.90%036%0.359CS..Hα-helixtrans-62.1-38.5175.8-170.5-91.5000111.8T204 F205 Y287 L290 N291 L294 V548 A552 P553 G559T204-F555 HydrophobicContact CG2-CD2 3.87Å; T204-F555 HydrophobicContact CG2-CE2 4.49Å; T204-F555 HydrophobicContact CG2-CG 4.48Å; F205-F555 HydrophobicContact CB-CZ 3.95Å; Y287-F555 HydrophobicContact CD1-CB 4.35Å; Y287-F555 AromaticContact CD1-CD2 3.66Å; Y287-F555 HydrophobicContact CD1-CD2 3.66Å; Y287-F555 HydrophobicContact CD1-CE2 4.47Å; Y287-F555 HydrophobicContact CD1-CG 4.42Å; Y287-F555 HydrophobicContact CE1-CB 3.96Å; Y287-F555 HydrophobicContact CE1-CD2 4.1Å; Y287-F555 HydrophobicContact CG-CD2 4.1Å; L290-F555 HydrophobicContact CB-CD2 4.48Å; L290-F555 HydrophobicContact CB-CE1 4.13Å; L290-F555 HydrophobicContact CB-CE2 3.75Å; L290-F555 HydrophobicContact CB-CZ 3.54Å; L290-F555 HydrophobicContact CD1-CD1 4.05Å; L290-F555 HydrophobicContact CD1-CD2 4Å; L290-F555 HydrophobicContact CD1-CE1 4.15Å; L290-F555 HydrophobicContact CD1-CE2 4.09Å; L290-F555 HydrophobicContact CD1-CG 3.97Å; L290-F555 HydrophobicContact CD1-CZ 4.17Å; N291-F555 VanDerWaalsContact OD1-CE2 3.25Å; N291-F555 WeakPolarHBondContact OD1-CE2 3.5Å; L294-F555 HydrophobicContact CD1-CE1 4.07Å; L294-F555 HydrophobicContact CD1-CZ 4.09Å; V548-F555 HydrophobicContact CG1-CB 4.2Å; V548-F555 HydrophobicContact CG1-CD1 4.11Å; V548-F555 HydrophobicContact CG1-CG 4.5Å; A552-F555 HydrophobicContact CB-CB 4.06Å; A552-F555 WeakPolarHBondContact O-CB 3.49Å; A552-F555 PolarHBondContact O-N 2.77Å; P553-F555 VanDerWaalsContact C-N 3.26Å; P553-F555 PolarHBondContact O-N 3.33Å; F555-G559 VanDerWaalsContact O-CA 3.26Å; F555-G559 WeakPolarHBondContact O-CA 3.18Å; F555-G559 PolarHBondContact O-N 2.94Å
556L83.8Confident83.1Confident39 Ų3970.2 Ų70.220%0.20435%0.353CS..Hα-helixtrans-84-19.8179.4-60.9173.6000112.9V548 R549 P553 S554 Q558 G559 M562V548-L556 HydrophobicContact CB-CD1 4.36Å; V548-L556 HydrophobicContact CG1-CD1 3.86Å; V548-L556 HydrophobicContact CG1-CD2 3.96Å; V548-L556 HydrophobicContact CG1-CG 3.66Å; R549-L556 HydrophobicContact CG-CD1 3.99Å; P553-L556 PolarHBondContact O-N 2.66Å; S554-L556 VanDerWaalsContact C-N 3.28Å; S554-L556 PolarHBondContact O-N 2.91Å; L556-Q558 PolarHBondContact O-N 3.35Å; L556-G559 PolarHBondContact O-N 3.21Å; L556-G559 VanDerWaalsContact O-N 3.08Å; L556-M562 HydrophobicContact CD1-SD 4.22Å
557S79.6Confident83.6Confident90 Ų9074.9 Ų74.963%0.62938%0.375SS*.Hα-helixtrans-61.5-28.5-174.9700000114.1P553 S554P553-S557 PolarHBondContact O-N 2.86Å; S554-S557 PolarHBondContact O-N 3.13Å; S554-S557 PolarHBondContact O-OG 3.04Å
558Q72.4Confident84.1Confident109 Ų10971.9 Ų71.951%0.50936%0.36SS..THydrogen-bonded Turntrans-130.826.6170.6-63.7-170.8-25.200109.7G206 Q207 L556G206-Q558 CarbonylContact C-O 3.57Å; G206-Q558 WeakPolarHBondContact CA-O 3.39Å; Q207-Q558 HydrophobicContact CG-CB 4.09Å; Q207-Q558 VanDerWaalsContact CG-OE1 3.22Å; Q207-Q558 PolarHBondContact N-O 3.48Å; L556-Q558 PolarHBondContact O-N 3.35Å
559G71.9Confident84.6Confident23 Ų2372.5 Ų72.524%0.23736%0.364CS..SBendtrans-107.7-179.9-172.400000112.6F555 L556F555-G559 VanDerWaalsContact O-CA 3.26Å; F555-G559 WeakPolarHBondContact O-CA 3.18Å; F555-G559 PolarHBondContact O-N 2.94Å; L556-G559 PolarHBondContact O-N 3.21Å; L556-G559 VanDerWaalsContact O-N 3.08Å
560P75.6Confident85.1Confident17 Ų1768.7 Ų68.711%0.1135%0.353CS..  trans-57.9152.6169.125.3-33.9000110.9L294 D564L294-P560 HydrophobicContact CD1-CG 4.08Å; P560-D564 HydrophobicContact CB-CB 4.07Å
561E85.9Confident85.7Confident141 Ų14162.9 Ų62.966%0.65934%0.335SS*.  trans-62.1157.9171.9-62-165.5172.800109.8A563 D564 Y565E561-A563 PolarHBondContact O-N 2.88Å; E561-D564 WeakPolarHBondContact CB-OD2 3.38Å; E561-D564 PolarHBondContact N-OD2 2.91Å; E561-D564 PolarHBondContact O-N 3.18Å; E561-Y565 PolarHBondContact O-N 3.28Å
562M86.1Confident86.4Confident38 Ų3855.6 Ų55.619%0.18731%0.307CS..Hα-helixtrans-61.2-31.3-179.5-169.276.5-16400111.8R549 L556 Y565 Q566R549-M562 HydrophobicContact CG-SD 3.95Å; L556-M562 HydrophobicContact CD1-SD 4.22Å; M562-Y565 HydrophobicContact CE-CD1 3.93Å; M562-Y565 HydrophobicContact CE-CE1 4.38Å; M562-Y565 HydrophobicContact SD-CD1 4.35Å; M562-Q566 HydrophobicContact CE-CG 4.14Å; M562-Q566 VanDerWaalsContact O-CG 3.31Å; M562-Q566 WeakPolarHBondContact O-CG 3.36Å; M562-Q566 PolarHBondContact O-N 3.48Å
563A88.1Confident87.1Confident60 Ų6060.9 Ų60.950%0.49633%0.326SS..Hα-helixtrans-63.4-52.9176.500000110.4E561 Y565 Q566 E567E561-A563 PolarHBondContact O-N 2.88Å; A563-Y565 VanDerWaalsContact C-N 3.27Å; A563-Y565 PolarHBondContact O-N 3.43Å; A563-Q566 WeakPolarHBondContact O-CB 3.18Å; A563-Q566 PolarHBondContact O-N 3.03Å; A563-E567 PolarHBondContact O-N 3.09Å
564D89.6Confident87.6Confident76 Ų7661.8 Ų61.841%0.40633%0.326SS..Hα-helixtrans-58.5-39.5177.5-45.8-25.6000111.6P560 E561 Q566 E567 A568P560-D564 HydrophobicContact CB-CB 4.07Å; E561-D564 WeakPolarHBondContact CB-OD2 3.38Å; E561-D564 PolarHBondContact N-OD2 2.91Å; E561-D564 PolarHBondContact O-N 3.18Å; D564-Q566 PolarHBondContact O-N 2.81Å; D564-E567 PolarHBondContact O-N 2.87Å; D564-A568 WeakPolarHBondContact O-CB 3.28Å; D564-A568 PolarHBondContact O-N 3.03Å
565Y90.8Very high88.1Confident5 Ų560.2 Ų60.22%0.0231%0.313CS..Hα-helixtrans-61.9-43.4175177.3-100.7000112.2L290 L294 A543 V548 E561 M562 A563 L569L290-Y565 HydrophobicContact CD2-CE2 3.99Å; L290-Y565 WeakPolarHBondContact CD2-OH 3.48Å; L294-Y565 HydrophobicContact CD1-CD2 4.16Å; L294-Y565 HydrophobicContact CD1-CE2 4.47Å; L294-Y565 HydrophobicContact CD2-CD2 3.95Å; L294-Y565 HydrophobicContact CD2-CE2 4.3Å; L294-Y565 HydrophobicContact CG-CD2 4.41Å; L294-Y565 HydrophobicContact CG-CE2 4.49Å; A543-Y565 PolarHBondContact O-OH 3.32Å; V548-Y565 HydrophobicContact CG2-CD1 4.46Å; V548-Y565 HydrophobicContact CG2-CE1 3.75Å; V548-Y565 HydrophobicContact CG2-CE2 4.32Å; E561-Y565 PolarHBondContact O-N 3.28Å; M562-Y565 HydrophobicContact CE-CD1 3.93Å; M562-Y565 HydrophobicContact CE-CE1 4.38Å; M562-Y565 HydrophobicContact SD-CD1 4.35Å; A563-Y565 VanDerWaalsContact C-N 3.27Å; A563-Y565 PolarHBondContact O-N 3.43Å; Y565-L569 HydrophobicContact CD1-CD1 4.13Å; Y565-L569 HydrophobicContact CE1-CD1 3.42Å; Y565-L569 VanDerWaalsContact CE1-CD1 3.42Å; Y565-L569 HydrophobicContact CE1-CG 4.18Å; Y565-L569 HydrophobicContact CE2-CD1 4.44Å; Y565-L569 HydrophobicContact CE2-CG 4.46Å; Y565-L569 WeakPolarHBondContact O-CG 3.41Å; Y565-L569 PolarHBondContact O-N 3.03Å; Y565-L569 VanDerWaalsContact O-N 3.16Å
566Q92.2Very high88.4Confident117 Ų11760.2 Ų60.255%0.54731%0.313SS..Hα-helixtrans-68.5-39178.1-73.6175.5-28.300111.8M562 A563 D564 L569 E570M562-Q566 HydrophobicContact CE-CG 4.14Å; M562-Q566 VanDerWaalsContact O-CG 3.31Å; M562-Q566 WeakPolarHBondContact O-CG 3.36Å; M562-Q566 PolarHBondContact O-N 3.48Å; A563-Q566 WeakPolarHBondContact O-CB 3.18Å; A563-Q566 PolarHBondContact O-N 3.03Å; D564-Q566 PolarHBondContact O-N 2.81Å; Q566-L569 PolarHBondContact O-N 2.78Å; Q566-E570 PolarHBondContact O-N 3.27Å
567E94.8Very high88.8Confident119 Ų11962.9 Ų62.956%0.55633%0.325SS*.Hα-helixtrans-60.6-50.1174.5-177.4169.4-158.500111A563 D564 L569 E570 E571A563-E567 PolarHBondContact O-N 3.09Å; D564-E567 PolarHBondContact O-N 2.87Å; E567-L569 VanDerWaalsContact C-N 3.26Å; E567-L569 PolarHBondContact O-N 3.27Å; E567-E570 CarbonylContact O-C 3.59Å; E567-E570 WeakPolarHBondContact O-CA 3.28Å; E567-E570 WeakPolarHBondContact O-CB 3.33Å; E567-E570 PolarHBondContact O-N 3.5Å; E567-E571 WeakPolarHBondContact O-CG 3.18Å; E567-E571 PolarHBondContact O-N 3.38Å
568A94.1Very high89.3Confident9 Ų961.2 Ų61.27%0.07431%0.312CS..Hα-helixtrans-59.2-35.6177.600000112.8L294 D564 E571 L572L294-A568 HydrophobicContact CD2-CB 3.55Å; D564-A568 WeakPolarHBondContact O-CB 3.28Å; D564-A568 PolarHBondContact O-N 3.03Å; A568-E571 PolarHBondContact O-N 3.45Å; A568-L572 WeakPolarHBondContact O-CB 3.39Å; A568-L572 PolarHBondContact O-N 2.86Å
569L94.2Very high90.2Very high13 Ų1356 Ų567%0.06829%0.288CS..Hα-helixtrans-70.1-32.9174.8-71.7-176.3000113.2Q540 A543 A544 Y565 Q566 E567 R573Q540-L569 WeakPolarHBondContact CG-O 3.34Å; A543-L569 HydrophobicContact CB-CD2 3.62Å; A544-L569 HydrophobicContact CB-CD1 4.08Å; Y565-L569 HydrophobicContact CD1-CD1 4.13Å; Y565-L569 HydrophobicContact CE1-CD1 3.42Å; Y565-L569 VanDerWaalsContact CE1-CD1 3.42Å; Y565-L569 HydrophobicContact CE1-CG 4.18Å; Y565-L569 HydrophobicContact CE2-CD1 4.44Å; Y565-L569 HydrophobicContact CE2-CG 4.46Å; Y565-L569 WeakPolarHBondContact O-CG 3.41Å; Y565-L569 PolarHBondContact O-N 3.03Å; Y565-L569 VanDerWaalsContact O-N 3.16Å; Q566-L569 PolarHBondContact O-N 2.78Å; E567-L569 VanDerWaalsContact C-N 3.26Å; E567-L569 PolarHBondContact O-N 3.27Å; L569-R573 PolarHBondContact O-N 3.16Å
570E95.2Very high90.8Very high85 Ų8559.1 Ų59.140%0.39730%0.296SS..Hα-helixtrans-72.4-40.1173.9-170.356.8-149.400110.5Q566 E567 L572 R573 L574Q566-E570 PolarHBondContact O-N 3.27Å; E567-E570 CarbonylContact O-C 3.59Å; E567-E570 WeakPolarHBondContact O-CA 3.28Å; E567-E570 WeakPolarHBondContact O-CB 3.33Å; E567-E570 PolarHBondContact O-N 3.5Å; E570-L572 VanDerWaalsContact C-N 3.33Å; E570-L572 PolarHBondContact O-N 3.05Å; E570-R573 CarbonylContact O-C 3.54Å; E570-R573 WeakPolarHBondContact O-CA 3.34Å; E570-R573 VanDerWaalsContact O-CB 3.28Å; E570-R573 WeakPolarHBondContact O-CB 3.43Å; E570-R573 PolarHBondContact O-N 2.9Å; E570-R573 VanDerWaalsContact O-N 3.1Å; E570-L574 WeakPolarHBondContact O-CG 3.34Å; E570-L574 PolarHBondContact O-N 3.37Å
571E95.4Very high90.8Very high84 Ų8461 Ų6139%0.39331%0.305SS..Hα-helixtrans-60.5-41.4171.3-69.5-172159.700112.1V297 E567 A568 R573 L574 L575V297-E571 HydrophobicContact CG1-CB 3.77Å; V297-E571 WeakPolarHBondContact CG1-OE2 3.21Å; E567-E571 WeakPolarHBondContact O-CG 3.18Å; E567-E571 PolarHBondContact O-N 3.38Å; A568-E571 PolarHBondContact O-N 3.45Å; E571-R573 VanDerWaalsContact C-N 3.27Å; E571-R573 PolarHBondContact O-N 3.32Å; E571-L574 PolarHBondContact O-N 2.78Å; E571-L575 VanDerWaalsContact O-CB 3.28Å; E571-L575 WeakPolarHBondContact O-CB 3.09Å; E571-L575 PolarHBondContact O-N 3Å
572L94.8Very high89.6Confident1 Ų161.1 Ų61.11%0.00531%0.31CS..Hα-helixtrans-60.5-40.7173.4-170.751000111.6A293 T296 V297 L536 L539 Q540 A568 E570 L575 G576A293-L572 HydrophobicContact CB-CD2 4.13Å; T296-L572 HydrophobicContact CG2-CD1 4.34Å; V297-L572 HydrophobicContact CG2-CB 3.38Å; V297-L572 HydrophobicContact CG2-CD1 3.64Å; V297-L572 HydrophobicContact CG2-CD2 4.19Å; V297-L572 HydrophobicContact CG2-CG 3.88Å; L536-L572 HydrophobicContact CD2-CD1 3.98Å; L539-L572 HydrophobicContact CD2-CD2 4.33Å; L539-L572 HydrophobicContact CG-CD2 4.13Å; Q540-L572 HydrophobicContact CB-CB 4.41Å; Q540-L572 HydrophobicContact CB-CD2 3.81Å; Q540-L572 HydrophobicContact CB-CG 3.91Å; Q540-L572 HydrophobicContact CG-CB 4.19Å; Q540-L572 HydrophobicContact CG-CD2 4.32Å; Q540-L572 HydrophobicContact CG-CG 4.25Å; A568-L572 WeakPolarHBondContact O-CB 3.39Å; A568-L572 PolarHBondContact O-N 2.86Å; E570-L572 VanDerWaalsContact C-N 3.33Å; E570-L572 PolarHBondContact O-N 3.05Å; L572-L575 HydrophobicContact CD1-CD2 4.49Å; L572-G576 PolarHBondContact O-N 3.28Å
573R94.8Very high88.2Confident114 Ų11463.1 Ų63.143%0.4333%0.328SS..Hα-helixtrans-61.4-52.9175.8-178.3-177.4178.7168.72.6109.5Q540 L569 E570 E571 L575 G576 H577Q540-R573 HydrophobicContact CG-CB 4.04Å; L569-R573 PolarHBondContact O-N 3.16Å; E570-R573 CarbonylContact O-C 3.54Å; E570-R573 WeakPolarHBondContact O-CA 3.34Å; E570-R573 VanDerWaalsContact O-CB 3.28Å; E570-R573 WeakPolarHBondContact O-CB 3.43Å; E570-R573 PolarHBondContact O-N 2.9Å; E570-R573 VanDerWaalsContact O-N 3.1Å; E571-R573 VanDerWaalsContact C-N 3.27Å; E571-R573 PolarHBondContact O-N 3.32Å; R573-L575 VanDerWaalsContact C-N 3.33Å; R573-L575 PolarHBondContact O-N 3.23Å; R573-G576 WeakPolarHBondContact O-CA 3.45Å; R573-G576 PolarHBondContact O-N 3.08Å; R573-G576 VanDerWaalsContact O-N 3.08Å; R573-H577 WeakPolarHBondContact CG-CE1 3.06Å; R573-H577 PolarHBondContact O-N 3.42Å; R573-H577 PolarHBondContact O-ND1 3.24Å
574L93.9Very high86.4Confident99 Ų9962.8 Ų62.852%0.51833%0.33SS..Hα-helixtrans-58.1-44.1179.1-67.8174.1000111.8E570 E571 G576 H577 C578E570-L574 WeakPolarHBondContact O-CG 3.34Å; E570-L574 PolarHBondContact O-N 3.37Å; E571-L574 PolarHBondContact O-N 2.78Å; L574-G576 VanDerWaalsContact C-N 3.3Å; L574-G576 PolarHBondContact O-N 3.49Å; L574-H577 WeakPolarHBondContact O-CB 3.22Å; L574-H577 PolarHBondContact O-N 3.17Å; L574-C578 PolarHBondContact O-N 2.77Å; L574-C578 PolarHBondContact O-SG 3.04Å; L574-C578 VanDerWaalsContact O-SG 3.39Å
575L92.9Very high84Confident26 Ų2662.7 Ų62.714%0.13635%0.348CS..Hα-helixtrans-58.2-43174.5-179.362000111.4A300 V376 L536 E571 L572 R573 H577 C578 Y579A300-L575 HydrophobicContact CB-CD2 4.19Å; V376-L575 HydrophobicContact CG2-CD1 4.37Å; V376-L575 HydrophobicContact CG2-CD2 3.76Å; V376-L575 HydrophobicContact CG2-CG 4.31Å; L536-L575 HydrophobicContact CD1-CG 4.3Å; E571-L575 VanDerWaalsContact O-CB 3.28Å; E571-L575 WeakPolarHBondContact O-CB 3.09Å; E571-L575 PolarHBondContact O-N 3Å; L572-L575 HydrophobicContact CD1-CD2 4.49Å; R573-L575 VanDerWaalsContact C-N 3.33Å; R573-L575 PolarHBondContact O-N 3.23Å; L575-H577 VanDerWaalsContact C-N 3.34Å; L575-H577 PolarHBondContact O-N 3.18Å; L575-C578 WeakPolarHBondContact O-CB 3.13Å; L575-C578 PolarHBondContact O-N 3.35Å; L575-Y579 HydrophobicContact CD1-CE2 4.22Å; L575-Y579 HydrophobicContact CG-CE2 4.48Å; L575-Y579 WeakPolarHBondContact O-CD2 3.27Å; L575-Y579 WeakPolarHBondContact O-CE2 3.4Å
576G91.6Very high81.4Confident0 Ų068 Ų680%038%0.381CS..Hα-helixtrans-61.5-37.7173.600000113.4H533 L572 R573 L574 C578 Y579H533-G576 PolarHBondContact ND1-O 3.41Å; L572-G576 PolarHBondContact O-N 3.28Å; R573-G576 WeakPolarHBondContact O-CA 3.45Å; R573-G576 PolarHBondContact O-N 3.08Å; R573-G576 VanDerWaalsContact O-N 3.08Å; L574-G576 VanDerWaalsContact C-N 3.3Å; L574-G576 PolarHBondContact O-N 3.49Å; G576-C578 VanDerWaalsContact C-N 3.28Å; G576-C578 PolarHBondContact O-N 3.34Å; G576-Y579 PolarHBondContact O-N 3.38Å
577H91.1Very high78.7Confident95 Ų9569 Ų6944%0.4440%0.395SS..Hα-helixtrans-66.3-29.2177.5-7370.8000112.3R573 L574 L575 Y579 H580R573-H577 WeakPolarHBondContact CG-CE1 3.06Å; R573-H577 PolarHBondContact O-N 3.42Å; R573-H577 PolarHBondContact O-ND1 3.24Å; L574-H577 WeakPolarHBondContact O-CB 3.22Å; L574-H577 PolarHBondContact O-N 3.17Å; L575-H577 VanDerWaalsContact C-N 3.34Å; L575-H577 PolarHBondContact O-N 3.18Å; H577-Y579 PolarHBondContact O-N 3.28Å; H577-H580 VanDerWaalsContact O-CB 3.29Å; H577-H580 WeakPolarHBondContact O-CB 3.19Å; H577-H580 PolarHBondContact O-N 3.38Å
578C90.8Very high75.9Confident55 Ų5574 Ų7437%0.37241%0.409SS..THydrogen-bonded Turntrans-60.8-17.9175.3-60.90000114.1R374 L574 L575 G576R374-C578 VanDerWaalsContact CD-O 3.32Å; R374-C578 WeakPolarHBondContact CD-O 3.28Å; R374-C578 HydrophobicContact CG-CB 3.94Å; R374-C578 PolarHBondContact NH1-O 3.43Å; L574-C578 PolarHBondContact O-N 2.77Å; L574-C578 PolarHBondContact O-SG 3.04Å; L574-C578 VanDerWaalsContact O-SG 3.39Å; L575-C578 WeakPolarHBondContact O-CB 3.13Å; L575-C578 PolarHBondContact O-N 3.35Å; G576-C578 VanDerWaalsContact C-N 3.28Å; G576-C578 PolarHBondContact O-N 3.34Å
579Y90.4Very high73Confident0 Ų077.7 Ų77.70%044%0.435CS..THydrogen-bonded Turntrans-103.54.7176.6-59-92.3000113.4R374 K375 V376 Y421 G529 T530 L532 L536 L575 G576 H577R374-Y579 WeakPolarHBondContact CA-OH 3.28Å; R374-Y579 HydrophobicContact CB-CD1 4.43Å; R374-Y579 HydrophobicContact CB-CE1 3.58Å; R374-Y579 HydrophobicContact CB-CE2 4.33Å; R374-Y579 WeakPolarHBondContact CB-OH 3.18Å; R374-Y579 HydrophobicContact CG-CD1 4.03Å; R374-Y579 HydrophobicContact CG-CD2 4.43Å; R374-Y579 HydrophobicContact CG-CE1 3.65Å; R374-Y579 HydrophobicContact CG-CE2 4.08Å; R374-Y579 HydrophobicContact CG-CG 4.39Å; R374-Y579 PolarHBondContact O-OH 3.42Å; K375-Y579 PolarHBondContact N-OH 3.41Å; V376-Y579 WeakPolarHBondContact CA-OH 3.44Å; V376-Y579 WeakPolarHBondContact CB-OH 3.45Å; V376-Y579 PolarHBondContact N-OH 2.82Å; V376-Y579 PolarHBondContact O-OH 3.34Å; Y421-Y579 HydrophobicContact CE2-CD1 4.17Å; G529-Y579 WeakPolarHBondContact O-CD1 3.49Å; T530-Y579 WeakPolarHBondContact CA-O 3.32Å; T530-Y579 WeakPolarHBondContact CG2-O 3.46Å; L532-Y579 HydrophobicContact CB-CD1 3.84Å; L532-Y579 HydrophobicContact CB-CE1 4.19Å; L532-Y579 HydrophobicContact CB-CG 4.03Å; L532-Y579 HydrophobicContact CD1-CD1 3.84Å; L532-Y579 HydrophobicContact CD1-CE1 3.47Å; L532-Y579 VanDerWaalsContact CD1-CE1 3.47Å; L532-Y579 HydrophobicContact CG-CD1 4.48Å; L532-Y579 HydrophobicContact CG-CE1 4.49Å; L536-Y579 HydrophobicContact CD1-CD2 3.68Å; L536-Y579 HydrophobicContact CD1-CE2 3.69Å; L575-Y579 HydrophobicContact CD1-CE2 4.22Å; L575-Y579 HydrophobicContact CG-CE2 4.48Å; L575-Y579 WeakPolarHBondContact O-CD2 3.27Å; L575-Y579 WeakPolarHBondContact O-CE2 3.4Å; G576-Y579 PolarHBondContact O-N 3.38Å; H577-Y579 PolarHBondContact O-N 3.28Å
580H85.4Confident70.4Confident87 Ų8783.2 Ų83.240%0.40347%0.474SS..  trans-71.5147.8175.5-167.171.1000110.7Y421 H533 H577 D582Y421-H580 PolarHBondContact OH-O 3.43Å; H533-H580 AromaticContact CD2-ND1 3.81Å; H533-H580 AromaticContact CE1-ND1 3.66Å; H533-H580 AromaticContact NE2-ND1 3.34Å; H533-H580 PolarHBondContact NE2-ND1 2.92Å; H577-H580 VanDerWaalsContact O-CB 3.29Å; H577-H580 WeakPolarHBondContact O-CB 3.19Å; H577-H580 PolarHBondContact O-N 3.38Å; H580-D582 IonicContact CD2-OD1 2.71Å; H580-D582 PolarHBondContact CD2-OD1 2.8Å; H580-D582 VanDerWaalsContact CD2-OD1 3.29Å; H580-D582 IonicContact NE2-OD1 2.72Å
581D75.1Confident67.6Low57 Ų5783.5 Ų83.531%0.30549%0.486SS..  trans-104.689.2179.4-158.65.8000110.9R419 T530 S583R419-D581 IonicContact NH1-OD1 3.31Å; R419-D581 PolarHBondContact NH1-OD1 2.82Å; T530-D581 HydrophobicContact CG2-CB 3.79Å; D581-S583 PolarHBondContact O-N 3.33Å; D581-S583 VanDerWaalsContact O-N 3.15Å; D581-S583 VanDerWaalsContact OD1-CB 3.27Å; D581-S583 WeakPolarHBondContact OD1-CB 3.32Å; D581-S583 PolarHBondContact OD1-OG 3.1Å
582D59.9Low64.7Low143 Ų14387.8 Ų87.877%0.76551%0.505SS*.THydrogen-bonded Turntrans-68-8.6176.4-69-39.6000113.3H580 G584H580-D582 IonicContact CD2-OD1 2.71Å; H580-D582 PolarHBondContact CD2-OD1 2.8Å; H580-D582 VanDerWaalsContact CD2-OD1 3.29Å; H580-D582 IonicContact NE2-OD1 2.72Å; D582-G584 PolarHBondContact O-N 2.93Å
583S56.6Low62.1Low80 Ų8095.1 Ų95.156%0.55955%0.545SS*.THydrogen-bonded Turntrans-70.3-13.2-176.1-32.50000113.4R419 D581 G585R419-S583 PolarHBondContact NH1-OG 2.87Å; D581-S583 PolarHBondContact O-N 3.33Å; D581-S583 VanDerWaalsContact O-N 3.15Å; D581-S583 VanDerWaalsContact OD1-CB 3.27Å; D581-S583 WeakPolarHBondContact OD1-CB 3.32Å; D581-S583 PolarHBondContact OD1-OG 3.1Å; S583-G585 PolarHBondContact O-N 2.83Å; S583-G585 VanDerWaalsContact O-N 3.08Å
584G50.6Low59.4Low53 Ų5397.2 Ų97.255%0.54656%0.564SS.*SBendtrans-80.542.5-179.400000114.6D582 T586D582-G584 PolarHBondContact O-N 2.93Å; G584-T586 PolarHBondContact O-N 3.34Å; G584-T586 PolarHBondContact O-OG1 3.06Å; G584-T586 VanDerWaalsContact O-OG1 3.06Å
585G39.7Very low56.7Low75 Ų7599.8 Ų99.877%0.77358%0.579SS**SBendtrans4815.715700000119.6S583S583-G585 PolarHBondContact O-N 2.83Å; S583-G585 VanDerWaalsContact O-N 3.08Å
586T36.5Very low54Low115 Ų115110.2 Ų110.271%0.70664%0.635SS**  trans-114.782.5177.3-40.80000106G584 R588G584-T586 PolarHBondContact O-N 3.34Å; G584-T586 PolarHBondContact O-OG1 3.06Å; G584-T586 VanDerWaalsContact O-OG1 3.06Å; T586-R588 PolarHBondContact O-N 3.22Å
587T34.3Very low52.1Low140 Ų140115.8 Ų115.886%0.85967%0.667SS**  trans-57.489161.846.80000107.6S589T587-S589 PolarHBondContact O-N 3.37Å
588R36.9Very low50Low223 Ų223116.8 Ų116.884%0.84268%0.679SS**  trans-72.2107.3153.7-82.9-173168.3-172.9-5.1105T586 S590T586-R588 PolarHBondContact O-N 3.22Å; R588-S590 PolarHBondContact O-N 3.35Å
589S33.5Very low47.8Very low87 Ų87120.3 Ų120.361%0.60870%0.696SS**  trans-53.2130.5169.354.60000108.2T587 S591T587-S589 PolarHBondContact O-N 3.37Å; S589-S591 PolarHBondContact O-N 3.24Å
590S38.7Very low45.3Very low129 Ų129127.4 Ų127.490%0.90274%0.736SS**SBendtrans-66.965.5178.158.40000111.9R588R588-S590 PolarHBondContact O-N 3.35Å
591S36.7Very low42.8Very low91 Ų91129.9 Ų129.964%0.63676%0.757SS**  trans-14814.2-177.967.80000116.4S589S589-S591 PolarHBondContact O-N 3.24Å
592E35.5Very low40.6Very low173 Ų173134.7 Ų134.781%0.80879%0.787SS**SBendtrans-136.622.8-177.3-68.2-170.3153.400115.8
593D38.3Very low39.2Very low155 Ų155134.1 Ų134.183%0.82979%0.789SS**  trans-109.614.6174.4-75.6-23.2000114.1
594D40Very low37.9Very low158 Ų158138.3 Ų138.385%0.84581%0.807SS**SBendtrans-98.776161.7-81.4-28.6000108.4
595D35.7Very low36.8Very low153 Ų153145.4 Ų145.482%0.81883%0.828SS**  trans169.790150.4-86.4-23.9000110
596D36.2Very low36.6Very low246 Ų246151.8 Ų151.8100%1.31683%0.834SS**  trans172.90133.8-89.2-22.7000113.1

Retrieved 596 of 596 residues in 1051.2 ms (Link to these results)

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