A0A087X565_POEFO Loading...

TBCC domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A087X565, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33Very low74.6Confident248 Ų24871.8 Ų71.8100%1.22239%0.393SS*.  041.50-76.5179.4169.300111
2E41.3Very low75.9Confident160 Ų16066.9 Ų66.975%0.74837%0.366SS*.  trans-118.326.8-175.9-77.4-176.7151.400112.9D4E2-D4 VanDerWaalsContact C-N 3.35Å; E2-D4 PolarHBondContact O-N 2.72Å
3A48.6Very low77Confident83 Ų8363.1 Ų63.169%0.68634%0.344SS*.THydrogen-bonded Turntrans-76.7-15.5-170.700000114.9
4D62.1Low78.1Confident123 Ų12358.8 Ų58.866%0.65832%0.321SS*.THydrogen-bonded Turntrans-123.916.4-166.4-66.9-32.5000115.3E2 V6E2-D4 VanDerWaalsContact C-N 3.35Å; E2-D4 PolarHBondContact O-N 2.72Å; D4-V6 PolarHBondContact O-N 2.86Å
5S78.9Confident79.1Confident69 Ų6954.9 Ų54.948%0.48330%0.299SS..  trans-68.7124.2177650000110.8G220S5-G220 PolarHBondContact O-N 2.65Å
6V87.6Confident79.9Confident16 Ų1652.6 Ų52.610%0.09729%0.287CS..EExtended strand (participates in β ladder)trans-91.3134.6174-175.60000109.6D4 V219 L231 P236 L237D4-V6 PolarHBondContact O-N 2.86Å; V6-V219 HydrophobicContact CG2-CB 4.45Å; V6-V219 HydrophobicContact CG2-CG1 4.25Å; V6-V219 HydrophobicContact CG2-CG2 4.06Å; V6-L231 HydrophobicContact CG1-CD1 4.44Å; V6-P236 HydrophobicContact CG2-CG 3.34Å; V6-L237 HydrophobicContact CB-CD1 4.03Å; V6-L237 HydrophobicContact CB-CD2 4.29Å; V6-L237 HydrophobicContact CB-CG 4.02Å; V6-L237 HydrophobicContact CG1-CD1 3.47Å; V6-L237 VanDerWaalsContact CG1-CD1 3.47Å; V6-L237 HydrophobicContact CG1-CG 3.98Å; V6-L237 HydrophobicContact CG2-CG 4.16Å
7S91.2Very high80.5Confident26 Ų2650.8 Ų50.818%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-120.3132.6174.448.20000109.6W9 G217 S218S7-W9 WeakPolarHBondContact O-CZ3 3.41Å; S7-W9 WeakPolarHBondContact OG-CZ3 3.27Å; S7-G217 CarbonylContact O-C 3.59Å; S7-G217 WeakPolarHBondContact O-CA 3.34Å; S7-S218 PolarHBondContact N-O 3.44Å; S7-S218 PolarHBondContact O-N 2.81Å
8I94.2Very high81.1Confident0 Ų047.9 Ų47.90%026%0.261CS..EExtended strand (participates in β ladder)trans-116140.6173.6-63.8161.8000107.1L215 E216 I228 L237 L259 N262 L263 T264I8-L215 HydrophobicContact CG2-CB 4.36Å; I8-L215 HydrophobicContact CG2-CD1 4.44Å; I8-L215 HydrophobicContact CG2-CD2 4.36Å; I8-E216 WeakPolarHBondContact CA-O 3.39Å; I8-I228 HydrophobicContact CB-CD1 4.33Å; I8-I228 HydrophobicContact CD1-CD1 3.46Å; I8-I228 VanDerWaalsContact CD1-CD1 3.46Å; I8-I228 HydrophobicContact CG1-CD1 3.62Å; I8-I228 HydrophobicContact CG2-CD1 3.71Å; I8-L237 HydrophobicContact CD1-CD1 3.71Å; I8-L237 HydrophobicContact CG1-CD1 4.45Å; I8-L259 HydrophobicContact CD1-CD2 3.84Å; I8-N262 HydrophobicContact CD1-CB 3.96Å; I8-N262 HydrophobicContact CG1-CB 4.49Å; I8-N262 PolarHBondContact N-O 3.22Å; I8-L263 HydrophobicContact CG2-CD1 4.04Å; I8-L263 CarbonylContact O-C 3.56Å; I8-L263 WeakPolarHBondContact O-CA 3.18Å; I8-T264 PolarHBondContact O-N 3.22Å; I8-T264 PolarHBondContact O-OG1 3.24Å
9W94.9Very high81.6Confident0 Ų045.6 Ų45.60%025%0.249CC..EExtended strand (participates in β ladder)trans-146.2158.517959.283.6000112.2S7 E216 I225 T264 N266 P267 F268S7-W9 WeakPolarHBondContact O-CZ3 3.41Å; S7-W9 WeakPolarHBondContact OG-CZ3 3.27Å; W9-E216 HydrophobicContact CD2-CG 4.42Å; W9-E216 HydrophobicContact CZ2-CG 3.93Å; W9-E216 PolarHBondContact N-O 3.2Å; W9-E216 PolarHBondContact NE1-OE1 3.29Å; W9-E216 PolarHBondContact O-N 3.49Å; W9-E216 VanDerWaalsContact O-N 3.14Å; W9-I225 HydrophobicContact CH2-CG1 4.48Å; W9-I225 HydrophobicContact CZ2-CD1 4.46Å; W9-I225 HydrophobicContact CZ2-CG1 4.23Å; W9-I225 HydrophobicContact CZ2-CG2 4.44Å; W9-T264 VanDerWaalsContact CB-O 3.32Å; W9-T264 WeakPolarHBondContact CB-O 3.23Å; W9-N266 HydrophobicContact CB-CB 4.36Å; W9-N266 VanDerWaalsContact CD1-CG 3.44Å; W9-N266 HydrophobicContact CG-CB 4.31Å; W9-P267 HydrophobicContact CD2-CG 3.92Å; W9-P267 HydrophobicContact CE3-CG 4.05Å; W9-P267 HydrophobicContact CH2-CG 4.07Å; W9-P267 HydrophobicContact CZ2-CG 3.95Å; W9-P267 HydrophobicContact CZ3-CG 4.12Å; W9-F268 HydrophobicContact CZ2-CD2 4.4Å; W9-F268 AromaticContact CZ2-CE2 3.98Å; W9-F268 HydrophobicContact CZ2-CE2 3.98Å
10P95.3Very high81.9Confident3 Ų343.8 Ų43.82%0.01924%0.239CC..EExtended strand (participates in β ladder)trans-67.8131.8172.8-16.229.5000112.3F15 H170 L171 V174 L214 N266P10-F15 HydrophobicContact CB-CE2 4.14Å; P10-H170 HydrophobicContact CB-CB 4.33Å; P10-L171 HydrophobicContact CG-CB 4.44Å; P10-L171 HydrophobicContact CG-CD1 4.38Å; P10-V174 HydrophobicContact CB-CG2 4.09Å; P10-V174 HydrophobicContact CG-CB 4.27Å; P10-V174 HydrophobicContact CG-CG2 4Å; P10-L214 CarbonylContact C-O 3.5Å; P10-L214 WeakPolarHBondContact CA-O 3.21Å; P10-N266 PolarHBondContact O-ND2 3.39Å
11R93.4Very high82.1Confident62 Ų6243.3 Ų43.323%0.23424%0.235CC..  trans-64.9138.5169.2-72.2-175.562.8-161.6-5109.8E13 P14 F15 G212 L213 L214 E216R11-E13 IonicContact CZ-OE2 3.47Å; R11-E13 IonicContact NH2-OE2 3.54Å; R11-E13 PolarHBondContact NH2-OE2 3.46Å; R11-P14 HydrophobicContact CB-CG 4.38Å; R11-F15 VanDerWaalsContact O-CD2 3.25Å; R11-F15 WeakPolarHBondContact O-CD2 3.47Å; R11-G212 VanDerWaalsContact CD-O 3.28Å; R11-G212 WeakPolarHBondContact CD-O 3.28Å; R11-G212 PolarHBondContact NH1-O 2.94Å; R11-L213 WeakPolarHBondContact CD-O 3.42Å; R11-L214 PolarHBondContact N-O 3.2Å; R11-E216 HydrophobicContact CG-CB 3.97Å; R11-E216 HydrophobicContact CG-CG 3.73Å; R11-E216 IonicContact NE-OE2 3.95Å
12M89.9Confident84.3Confident13 Ų1332.9 Ų32.96%0.06419%0.185CC..Hα-helixtrans-75-40.8-179.5-75.1-63.7-63.200113F15 L16 D167 H170M12-F15 PolarHBondContact O-N 3.36Å; M12-L16 VanDerWaalsContact O-CB 3.24Å; M12-L16 WeakPolarHBondContact O-CB 3.16Å; M12-L16 PolarHBondContact O-N 3.22Å; M12-D167 HydrophobicContact SD-CB 3.83Å; M12-H170 VanDerWaalsContact CE-CE1 3.48Å; M12-H170 WeakPolarHBondContact CE-CE1 3.39Å; M12-H170 PolarHBondContact SD-ND1 2.78Å
13E90.4Very high86.1Confident17 Ų1728.1 Ų28.18%0.07917%0.173CC..Hα-helixtrans-55.4-46.6-169.2-70.1175.1138.300114.9R11 F15 L16 L17 G305 R348R11-E13 IonicContact CZ-OE2 3.47Å; R11-E13 IonicContact NH2-OE2 3.54Å; R11-E13 PolarHBondContact NH2-OE2 3.46Å; E13-F15 VanDerWaalsContact C-N 3.31Å; E13-F15 PolarHBondContact O-N 3.46Å; E13-L16 PolarHBondContact O-N 3.39Å; E13-L17 WeakPolarHBondContact O-CB 3.31Å; E13-L17 PolarHBondContact O-N 3.04Å; E13-G305 WeakPolarHBondContact OE1-CA 3.45Å; E13-R348 IonicContact OE1-CZ 3.73Å; E13-R348 IonicContact OE1-NH1 3.95Å; E13-R348 PolarHBondContact OE1-NH1 2.96Å; E13-R348 IonicContact OE1-NH2 3.64Å; E13-R348 PolarHBondContact OE1-NH2 3.41Å
14P93.2Very high87.6Confident3 Ų325.2 Ų25.22%0.01915%0.148CC..Iπ-helixtrans-62.1-38.3-178.4-19.529.8000112.9R11 G18 A19 I124 L213 L214R11-P14 HydrophobicContact CB-CG 4.38Å; P14-G18 CarbonylContact O-C 3.51Å; P14-G18 WeakPolarHBondContact O-CA 3.46Å; P14-G18 PolarHBondContact O-N 3.46Å; P14-A19 PolarHBondContact O-N 3.34Å; P14-I124 HydrophobicContact CB-CD1 3.68Å; P14-I124 WeakPolarHBondContact O-CD1 3.43Å; P14-L213 HydrophobicContact CG-CD1 4.38Å; P14-L213 HydrophobicContact CG-CG 4.36Å; P14-L213 WeakPolarHBondContact CG-O 3.2Å; P14-L214 HydrophobicContact CB-CD2 4.03Å; P14-L214 HydrophobicContact CG-CD2 4.27Å
15F93.3Very high88.4Confident0 Ų021 Ų210%013%0.126CC..Iπ-helixtrans-79-37.2178.2-59.4-80.8000111.8P10 R11 M12 E13 I124 L127 N164 H170 F173 V174 L214P10-F15 HydrophobicContact CB-CE2 4.14Å; R11-F15 VanDerWaalsContact O-CD2 3.25Å; R11-F15 WeakPolarHBondContact O-CD2 3.47Å; M12-F15 PolarHBondContact O-N 3.36Å; E13-F15 VanDerWaalsContact C-N 3.31Å; E13-F15 PolarHBondContact O-N 3.46Å; F15-I124 HydrophobicContact CD1-CB 4.3Å; F15-I124 HydrophobicContact CD1-CG2 4.5Å; F15-I124 HydrophobicContact CE1-CB 3.95Å; F15-I124 HydrophobicContact CE1-CG2 3.74Å; F15-I124 HydrophobicContact CZ-CG2 4.07Å; F15-L127 HydrophobicContact CB-CD2 4.31Å; F15-L127 HydrophobicContact CD1-CD1 4.45Å; F15-L127 HydrophobicContact CD1-CD2 4.09Å; F15-N164 WeakPolarHBondContact O-CB 3.43Å; F15-N164 VanDerWaalsContact O-CG 3.28Å; F15-N164 PolarHBondContact O-ND2 3.24Å; F15-N164 VanDerWaalsContact O-ND2 3.12Å; F15-H170 VanDerWaalsContact CB-CE1 3.41Å; F15-H170 WeakPolarHBondContact CB-CE1 3.25Å; F15-H170 WeakPolarHBondContact CB-NE2 3.38Å; F15-H170 HydrophobicContact CD2-CB 4.2Å; F15-H170 AromaticContact CD2-CG 3.95Å; F15-H170 HydrophobicContact CE2-CB 4.43Å; F15-H170 HydrophobicContact CG-CB 4.44Å; F15-H170 AromaticContact CG-CD2 3.8Å; F15-H170 AromaticContact CG-CG 3.89Å; F15-H170 AromaticContact CG-NE2 3.98Å; F15-F173 AromaticContact CE1-CD1 3.67Å; F15-F173 HydrophobicContact CE1-CD1 3.67Å; F15-F173 AromaticContact CE1-CE1 4Å; F15-F173 HydrophobicContact CE1-CE1 4Å; F15-F173 HydrophobicContact CZ-CD1 4.17Å; F15-V174 HydrophobicContact CE2-CG2 4.37Å; F15-V174 HydrophobicContact CZ-CG2 3.78Å; F15-L214 HydrophobicContact CZ-CD2 4.4Å
16L91.1Very high88.4Confident18 Ų1822.1 Ų22.19%0.09413%0.134CC..Iπ-helixtrans-66.9-51.6-179.417558.9000111.9M12 E13 N164 W165 N330M12-L16 VanDerWaalsContact O-CB 3.24Å; M12-L16 WeakPolarHBondContact O-CB 3.16Å; M12-L16 PolarHBondContact O-N 3.22Å; E13-L16 PolarHBondContact O-N 3.39Å; L16-N164 WeakPolarHBondContact CA-O 3.5Å; L16-W165 HydrophobicContact CD1-CD2 3.55Å; L16-W165 HydrophobicContact CD1-CE3 4.19Å; L16-W165 HydrophobicContact CD1-CG 3.86Å; L16-W165 HydrophobicContact CD1-CH2 4.33Å; L16-W165 HydrophobicContact CD1-CZ2 3.69Å; L16-W165 VanDerWaalsContact CD1-NE1 3.32Å; L16-W165 HydrophobicContact CD2-CH2 4.09Å; L16-W165 HydrophobicContact CD2-CZ2 4.15Å; L16-W165 HydrophobicContact CD2-CZ3 4.34Å; L16-N330 HydrophobicContact CD2-CB 4.12Å
17L90.3Very high88.2Confident22 Ų2224.7 Ų24.712%0.11514%0.144CC..Iπ-helixtrans-104.1-23.9-168.8-55.6176.5000112.7E13 L80 T367E13-L17 WeakPolarHBondContact O-CB 3.31Å; E13-L17 PolarHBondContact O-N 3.04Å; L17-L80 HydrophobicContact CB-CD2 3.49Å; L17-L80 VanDerWaalsContact CB-CD2 3.49Å; L17-L80 HydrophobicContact CD1-CD2 4.33Å; L17-T367 HydrophobicContact CD1-CG2 4.17Å
18G90.7Very high87.9Confident0 Ų023.6 Ų23.60%014%0.136CC..Iπ-helixtrans-99-41-173.300000115.2P14 L20 F121 Q125P14-G18 CarbonylContact O-C 3.51Å; P14-G18 WeakPolarHBondContact O-CA 3.46Å; P14-G18 PolarHBondContact O-N 3.46Å; G18-L20 PolarHBondContact O-N 3.06Å; G18-F121 WeakPolarHBondContact O-CE2 3.29Å; G18-Q125 PolarHBondContact O-NE2 3.11Å
19A91.4Very high87.6Confident4 Ų425 Ų253%0.03315%0.146CC..SBendtrans-73.8118.3-179.500000110.5P14 L127 N164P14-A19 PolarHBondContact O-N 3.34Å; A19-L127 HydrophobicContact CB-CD2 4.26Å; A19-N164 PolarHBondContact O-ND2 2.92Å
20L88.2Confident87.3Confident8 Ų826.4 Ų26.44%0.04215%0.153CC..  trans-68.1142.4177.4-60.8179.3000110.5G18 V22 L72 Y73 N128 L405 L447G18-L20 PolarHBondContact O-N 3.06Å; L20-V22 HydrophobicContact CB-CG2 3.68Å; L20-V22 PolarHBondContact O-N 3.44Å; L20-L72 HydrophobicContact CD1-CD2 3.9Å; L20-Y73 HydrophobicContact CD1-CD1 4.5Å; L20-Y73 HydrophobicContact CD1-CE1 3.8Å; L20-Y73 HydrophobicContact CG-CE1 4.46Å; L20-N128 PolarHBondContact O-ND2 3.3Å; L20-L405 HydrophobicContact CD2-CD2 4Å; L20-L447 HydrophobicContact CD1-CD1 4.46Å
21Q84.4Confident86.9Confident35 Ų3531.2 Ų31.216%0.16418%0.175CC..SBendtrans-82.641.8-179.8-55.2-158.69.500112.9N162 N164 H370 L407Q21-N162 VanDerWaalsContact CD-OD1 3.29Å; Q21-N162 VanDerWaalsContact NE2-CG 3.33Å; Q21-N162 PolarHBondContact NE2-ND2 3.3Å; Q21-N162 PolarHBondContact NE2-OD1 3.34Å; Q21-N162 PolarHBondContact OE1-ND2 2.92Å; Q21-N162 PolarHBondContact OE1-OD1 3.25Å; Q21-N164 WeakPolarHBondContact CG-ND2 3.34Å; Q21-N164 PolarHBondContact NE2-ND2 3.48Å; Q21-H370 PolarHBondContact NE2-CE1 3.31Å; Q21-H370 PolarHBondContact NE2-ND1 3.31Å; Q21-H370 PolarHBondContact OE1-CE1 3.02Å; Q21-L407 HydrophobicContact CB-CD1 4.1Å
22V80.6Confident86.8Confident29 Ų2932.1 Ų32.118%0.17618%0.179CC..SBendtrans-137152.8179.2-97.60000107.8L20 L407 P408 L447L20-V22 HydrophobicContact CB-CG2 3.68Å; L20-V22 PolarHBondContact O-N 3.44Å; V22-L407 HydrophobicContact CG1-CD2 4.41Å; V22-L407 HydrophobicContact CG2-CD2 4.12Å; V22-P408 HydrophobicContact CG1-CG 3.82Å; V22-L447 HydrophobicContact CG2-CD1 4.33Å
23A79.1Confident86.8Confident60 Ų6031.5 Ų31.550%0.49618%0.176SC..PPolyproline II helixtrans-59.3132.1173.700000108.9
24P79.3Confident86.7Confident22 Ų2232.6 Ų32.614%0.14318%0.18CC..PPolyproline II helixtrans-67.3156.1178.632.8-39.8000109.8Q125 Q126 R129P24-Q125 HydrophobicContact CB-CB 4.09Å; P24-Q125 WeakPolarHBondContact CD-O 3.46Å; P24-Q126 HydrophobicContact CG-CG 4.35Å; P24-R129 HydrophobicContact CG-CB 4.23Å
25T79.6Confident86.6Confident33 Ų3338.4 Ų38.420%0.20220%0.204CC..PPolyproline II helixtrans-63.3143.9171.4670000109.8K27 L28 L65 L69T25-K27 PolarHBondContact O-N 3.39Å; T25-L28 PolarHBondContact O-N 2.88Å; T25-L65 HydrophobicContact CG2-CD2 4.21Å; T25-L69 HydrophobicContact CG2-CD2 4.06Å
26S78.6Confident86.4Confident93 Ų9338.7 Ų38.765%0.6521%0.206SC*.G310 helixtrans-59.4-17.5175.359.30000113.1L28 S29S26-L28 VanDerWaalsContact C-N 3.28Å; S26-L28 PolarHBondContact O-N 3.43Å; S26-S29 PolarHBondContact O-N 3.05Å
27K83.1Confident86.3Confident71 Ų7138.1 Ų38.131%0.30920%0.204SC..G310 helixtrans-71.6-16.1176.1-53.9-62-175.6175.50113.6T25 S29 Y32 L63 L65T25-K27 PolarHBondContact O-N 3.39Å; K27-S29 VanDerWaalsContact C-N 3.32Å; K27-Y32 VanDerWaalsContact O-CB 3.24Å; K27-Y32 WeakPolarHBondContact O-CB 3.33Å; K27-Y32 WeakPolarHBondContact O-CD2 3.13Å; K27-L63 HydrophobicContact CB-CB 4.48Å; K27-L63 WeakPolarHBondContact CG-O 3.38Å; K27-L65 HydrophobicContact CB-CD2 4.17Å; K27-L65 HydrophobicContact CG-CD2 4.46Å
28L85Confident86.2Confident2 Ų239.7 Ų39.71%0.0121%0.214CC..G310 helixtrans-94.924.5173.9-63.2179.3000113T25 S26 L33 L65 Y73 L122 Q125T25-L28 PolarHBondContact O-N 2.88Å; S26-L28 VanDerWaalsContact C-N 3.28Å; S26-L28 PolarHBondContact O-N 3.43Å; L28-L33 HydrophobicContact CD2-CD2 4.45Å; L28-L65 HydrophobicContact CD2-CD1 4.42Å; L28-Y73 HydrophobicContact CD1-CE1 4.28Å; L28-Y73 HydrophobicContact CD1-CE2 3.85Å; L28-L122 HydrophobicContact CD2-CD2 4.33Å; L28-Q125 HydrophobicContact CD1-CB 4.49Å
29S87.4Confident86.1Confident31 Ų3142.2 Ų42.222%0.21722%0.224CC..SBendtrans-68.5157.1174.170.30000112.1S26 K27 H31 Y32 L33S26-S29 PolarHBondContact O-N 3.05Å; K27-S29 VanDerWaalsContact C-N 3.32Å; S29-H31 PolarHBondContact O-N 2.9Å; S29-H31 VanDerWaalsContact O-N 3.11Å; S29-Y32 PolarHBondContact O-N 3.45Å; S29-Y32 VanDerWaalsContact OG-CD2 3.29Å; S29-Y32 WeakPolarHBondContact OG-CD2 3.47Å; S29-L33 PolarHBondContact O-N 2.95Å; S29-L33 VanDerWaalsContact O-N 3.07Å
30L88.3Confident86Confident28 Ų2842 Ų4215%0.14722%0.223CC..Hα-helixtrans-48.2-40.1177.3-178.257.5000113.1Y32 L33 R34 Y123 D180 L184L30-Y32 PolarHBondContact O-N 2.75Å; L30-L33 PolarHBondContact O-N 3.11Å; L30-R34 HydrophobicContact CD1-CG 4.47Å; L30-R34 VanDerWaalsContact O-CG 3.31Å; L30-R34 WeakPolarHBondContact O-CG 3.33Å; L30-R34 PolarHBondContact O-N 3.17Å; L30-Y123 HydrophobicContact CB-CE2 4.15Å; L30-Y123 HydrophobicContact CD1-CD2 4.3Å; L30-Y123 HydrophobicContact CD1-CE2 3.82Å; L30-Y123 HydrophobicContact CG-CE2 4.44Å; L30-D180 HydrophobicContact CD1-CB 4.12Å; L30-D180 HydrophobicContact CD2-CB 3.76Å; L30-D180 WeakPolarHBondContact CD2-OD1 3.45Å; L30-D180 WeakPolarHBondContact CD2-OD2 3.18Å; L30-L184 HydrophobicContact CD1-CD1 4.05Å; L30-L184 HydrophobicContact CD1-CD2 3.78Å; L30-L184 HydrophobicContact CD1-CG 3.69Å
31H88.4Confident85.9Confident105 Ų10544 Ų4449%0.48623%0.231SC..Hα-helixtrans-58.8-46.9177.217966.3000113.1S29 K35S29-H31 PolarHBondContact O-N 2.9Å; S29-H31 VanDerWaalsContact O-N 3.11Å; H31-K35 WeakPolarHBondContact NE2-CE 3.48Å; H31-K35 PolarHBondContact O-N 2.93Å; H31-K35 VanDerWaalsContact O-N 3.16Å
32Y90Very high85.9Confident80 Ų8047 Ų4731%0.31425%0.253SS..Hα-helixtrans-72.4-37.7-179.7-72.9-64.4000112K27 S29 L30 R34 K35 M36 L63K27-Y32 VanDerWaalsContact O-CB 3.24Å; K27-Y32 WeakPolarHBondContact O-CB 3.33Å; K27-Y32 WeakPolarHBondContact O-CD2 3.13Å; S29-Y32 PolarHBondContact O-N 3.45Å; S29-Y32 VanDerWaalsContact OG-CD2 3.29Å; S29-Y32 WeakPolarHBondContact OG-CD2 3.47Å; L30-Y32 PolarHBondContact O-N 2.75Å; Y32-R34 VanDerWaalsContact C-N 3.32Å; Y32-R34 PolarHBondContact O-N 2.86Å; Y32-K35 PolarHBondContact O-N 2.99Å; Y32-M36 PolarHBondContact O-N 3.31Å; Y32-L63 HydrophobicContact CD1-CD2 3.95Å; Y32-L63 HydrophobicContact CG-CD2 4.03Å
33L91.4Very high86.2Confident1 Ų151.5 Ų51.51%0.00527%0.267CS..Hα-helixtrans-64.2-36.8176-65.5175.6000111.8L28 S29 L30 M36 A37 L119 L122 Y123 L184L28-L33 HydrophobicContact CD2-CD2 4.45Å; S29-L33 PolarHBondContact O-N 2.95Å; S29-L33 VanDerWaalsContact O-N 3.07Å; L30-L33 PolarHBondContact O-N 3.11Å; L33-M36 WeakPolarHBondContact O-CB 3.49Å; L33-M36 PolarHBondContact O-N 3.05Å; L33-A37 WeakPolarHBondContact O-CB 3.11Å; L33-A37 PolarHBondContact O-N 2.78Å; L33-L119 HydrophobicContact CB-CD2 4.35Å; L33-L119 HydrophobicContact CD2-CD2 4.19Å; L33-L122 HydrophobicContact CD1-CB 4.5Å; L33-L122 HydrophobicContact CD2-CB 3.81Å; L33-L122 HydrophobicContact CD2-CD1 3.9Å; L33-Y123 HydrophobicContact CD1-CD2 3.86Å; L33-Y123 HydrophobicContact CD1-CG 4.36Å; L33-L184 HydrophobicContact CB-CD2 3.89Å
34R88.4Confident86.1Confident40 Ų4057.9 Ų57.915%0.15129%0.286CS..Hα-helixtrans-63.3-46171.2-73.6176-164.1-172.84.1112.4L30 Y32 M36 A37 V38 E183 L184 G195L30-R34 HydrophobicContact CD1-CG 4.47Å; L30-R34 VanDerWaalsContact O-CG 3.31Å; L30-R34 WeakPolarHBondContact O-CG 3.33Å; L30-R34 PolarHBondContact O-N 3.17Å; Y32-R34 VanDerWaalsContact C-N 3.32Å; Y32-R34 PolarHBondContact O-N 2.86Å; R34-M36 VanDerWaalsContact C-N 3.25Å; R34-M36 PolarHBondContact O-N 3.31Å; R34-A37 WeakPolarHBondContact O-CB 3.44Å; R34-A37 PolarHBondContact O-N 3.07Å; R34-V38 VanDerWaalsContact O-CG2 3.26Å; R34-V38 WeakPolarHBondContact O-CG2 3.49Å; R34-V38 PolarHBondContact O-N 2.97Å; R34-E183 IonicContact CZ-OE1 3.08Å; R34-E183 IonicContact CZ-OE2 3.45Å; R34-E183 IonicContact NE-OE1 4Å; R34-E183 VanDerWaalsContact NH1-CD 3.33Å; R34-E183 IonicContact NH1-OE1 2.71Å; R34-E183 PolarHBondContact NH1-OE1 3.39Å; R34-E183 IonicContact NH1-OE2 3.69Å; R34-E183 IonicContact NH2-OE1 3.15Å; R34-E183 PolarHBondContact NH2-OE1 3.41Å; R34-E183 VanDerWaalsContact NH2-OE1 3.15Å; R34-E183 IonicContact NH2-OE2 2.66Å; R34-E183 PolarHBondContact NH2-OE2 3.34Å; R34-L184 HydrophobicContact CG-CD2 3.85Å; R34-G195 PolarHBondContact NH1-O 3.36Å
35K89.1Confident86Confident124 Ų12460.8 Ų60.854%0.53932%0.32SS..Hα-helixtrans-59.6-40.1176.2-74.9-173.4174-171.10111.6H31 Y32 Y39H31-K35 WeakPolarHBondContact NE2-CE 3.48Å; H31-K35 PolarHBondContact O-N 2.93Å; H31-K35 VanDerWaalsContact O-N 3.16Å; Y32-K35 PolarHBondContact O-N 2.99Å; K35-Y39 VanDerWaalsContact O-CB 3.24Å; K35-Y39 WeakPolarHBondContact O-CB 3.39Å; K35-Y39 PolarHBondContact O-N 3.24Å
36M90.7Very high86Confident6 Ų660.1 Ų60.13%0.0332%0.316CS..Hα-helixtrans-62.2-49.3173.5173.8-179.9163.200111.2Y32 L33 R34 V38 Y39 V40 L50 W55 I58 F118 L119 L122Y32-M36 PolarHBondContact O-N 3.31Å; L33-M36 WeakPolarHBondContact O-CB 3.49Å; L33-M36 PolarHBondContact O-N 3.05Å; R34-M36 VanDerWaalsContact C-N 3.25Å; R34-M36 PolarHBondContact O-N 3.31Å; M36-V38 VanDerWaalsContact C-N 3.33Å; M36-V38 PolarHBondContact O-N 3.06Å; M36-Y39 PolarHBondContact O-N 3.22Å; M36-Y39 VanDerWaalsContact O-N 3.16Å; M36-V40 HydrophobicContact CG-CG2 4.27Å; M36-V40 WeakPolarHBondContact O-CG2 3.34Å; M36-V40 PolarHBondContact O-N 3.17Å; M36-L50 HydrophobicContact CE-CD2 3.62Å; M36-W55 HydrophobicContact CE-CE3 3.9Å; M36-W55 HydrophobicContact CE-CZ3 3.93Å; M36-W55 HydrophobicContact SD-CE3 4.16Å; M36-W55 HydrophobicContact SD-CZ3 3.65Å; M36-I58 HydrophobicContact CG-CD1 4.32Å; M36-I58 HydrophobicContact CG-CG2 4.2Å; M36-I58 HydrophobicContact SD-CG2 4.39Å; M36-F118 HydrophobicContact CE-CD1 4.06Å; M36-F118 HydrophobicContact CE-CE1 4.32Å; M36-L119 HydrophobicContact CB-CD2 4.33Å; M36-L119 HydrophobicContact CE-CD2 3.86Å; M36-L119 HydrophobicContact CE-CG 4.38Å; M36-L119 HydrophobicContact CG-CD2 3.99Å; M36-L119 HydrophobicContact SD-CD2 3.7Å; M36-L122 HydrophobicContact CE-CD1 4.29Å; M36-L122 HydrophobicContact SD-CD1 4.15Å
37A88.7Confident86.4Confident7 Ų760 Ų606%0.05830%0.304CS..Hα-helixtrans-55.9-47.4178.500000111.9L33 R34 Y39 V40 Q41 L119L33-A37 WeakPolarHBondContact O-CB 3.11Å; L33-A37 PolarHBondContact O-N 2.78Å; R34-A37 WeakPolarHBondContact O-CB 3.44Å; R34-A37 PolarHBondContact O-N 3.07Å; A37-Y39 PolarHBondContact O-N 2.76Å; A37-V40 PolarHBondContact O-N 2.93Å; A37-Q41 WeakPolarHBondContact O-CB 3.49Å; A37-Q41 VanDerWaalsContact O-CG 3.26Å; A37-Q41 WeakPolarHBondContact O-CG 3.36Å; A37-Q41 PolarHBondContact O-N 3.04Å; A37-L119 HydrophobicContact CB-CD1 3.63Å
38V88.1Confident86.7Confident54 Ų5459.7 Ų59.733%0.32731%0.309SS..Hα-helixtrans-62.5-44.4177.1175.30000111.1R34 M36 T42 P188R34-V38 VanDerWaalsContact O-CG2 3.26Å; R34-V38 WeakPolarHBondContact O-CG2 3.49Å; R34-V38 PolarHBondContact O-N 2.97Å; M36-V38 VanDerWaalsContact C-N 3.33Å; M36-V38 PolarHBondContact O-N 3.06Å; V38-T42 HydrophobicContact CG1-CG2 4.44Å; V38-T42 WeakPolarHBondContact O-CB 3.47Å; V38-T42 VanDerWaalsContact O-CG2 3.27Å; V38-T42 WeakPolarHBondContact O-CG2 3.49Å; V38-T42 PolarHBondContact O-N 2.96Å; V38-T42 VanDerWaalsContact O-N 3.1Å; V38-T42 PolarHBondContact O-OG1 3.43Å; V38-P188 HydrophobicContact CB-CB 4.46Å; V38-P188 HydrophobicContact CB-CG 4.45Å; V38-P188 HydrophobicContact CG1-CB 4.29Å; V38-P188 HydrophobicContact CG2-CB 4.01Å; V38-P188 HydrophobicContact CG2-CG 4.14Å
39Y89.1Confident87Confident53 Ų5363.7 Ų63.721%0.20833%0.331CS..Hα-helixtrans-64.7-41.5-178.6-178.8-100.1000112.7K35 M36 A37 T42 R43 M54 H57 I58K35-Y39 VanDerWaalsContact O-CB 3.24Å; K35-Y39 WeakPolarHBondContact O-CB 3.39Å; K35-Y39 PolarHBondContact O-N 3.24Å; M36-Y39 PolarHBondContact O-N 3.22Å; M36-Y39 VanDerWaalsContact O-N 3.16Å; A37-Y39 PolarHBondContact O-N 2.76Å; Y39-T42 PolarHBondContact O-OG1 2.82Å; Y39-R43 VanDerWaalsContact CZ-NE 3.28Å; Y39-R43 PolarHBondContact O-N 3.23Å; Y39-R43 PolarHBondContact OH-NE 3.31Å; Y39-R43 PolarHBondContact OH-NH2 3Å; Y39-M54 HydrophobicContact CE1-SD 3.96Å; Y39-H57 PolarHBondContact OH-NE2 3.01Å; Y39-I58 HydrophobicContact CD1-CD1 3.87Å; Y39-I58 HydrophobicContact CD1-CG1 4.01Å; Y39-I58 HydrophobicContact CE1-CD1 4.16Å; Y39-I58 HydrophobicContact CE1-CG1 3.94Å
40V88.9Confident87.3Confident0 Ų062.2 Ų62.20%032%0.321CS..Hα-helixtrans-72.3-41.9-179.1175.80000110.8M36 A37 T42 R43 C46 L50 I58 T115M36-V40 HydrophobicContact CG-CG2 4.27Å; M36-V40 WeakPolarHBondContact O-CG2 3.34Å; M36-V40 PolarHBondContact O-N 3.17Å; A37-V40 PolarHBondContact O-N 2.93Å; V40-T42 VanDerWaalsContact C-N 3.31Å; V40-T42 PolarHBondContact O-N 3.42Å; V40-R43 PolarHBondContact O-N 3.06Å; V40-C46 HydrophobicContact CG1-CB 4.07Å; V40-C46 WeakPolarHBondContact CG1-O 3.39Å; V40-L50 HydrophobicContact CG1-CD1 4.21Å; V40-L50 HydrophobicContact CG2-CD1 3.98Å; V40-I58 HydrophobicContact CG2-CD1 3.57Å; V40-T115 HydrophobicContact CB-CG2 4.24Å; V40-T115 HydrophobicContact CG1-CG2 3.71Å
41Q85.5Confident87.6Confident49 Ų4963 Ų6323%0.22933%0.328CS..Hα-helixtrans-72-21.4-179.6-70.4-17937.400114.1A37 F47 P188A37-Q41 WeakPolarHBondContact O-CB 3.49Å; A37-Q41 VanDerWaalsContact O-CG 3.26Å; A37-Q41 WeakPolarHBondContact O-CG 3.36Å; A37-Q41 PolarHBondContact O-N 3.04Å; Q41-F47 HydrophobicContact CG-CD2 3.61Å; Q41-F47 HydrophobicContact CG-CE2 3.89Å; Q41-F47 HydrophobicContact CG-CG 3.99Å; Q41-F47 HydrophobicContact CG-CZ 4.49Å; Q41-P188 HydrophobicContact CB-CG 4.11Å
42T85.4Confident87.9Confident100 Ų10058 Ų5861%0.61331%0.305SS*.Hα-helixtrans-89.3-11.7177.6500000113.5V38 Y39 V40V38-T42 HydrophobicContact CG1-CG2 4.44Å; V38-T42 WeakPolarHBondContact O-CB 3.47Å; V38-T42 VanDerWaalsContact O-CG2 3.27Å; V38-T42 WeakPolarHBondContact O-CG2 3.49Å; V38-T42 PolarHBondContact O-N 2.96Å; V38-T42 VanDerWaalsContact O-N 3.1Å; V38-T42 PolarHBondContact O-OG1 3.43Å; Y39-T42 PolarHBondContact O-OG1 2.82Å; V40-T42 VanDerWaalsContact C-N 3.31Å; V40-T42 PolarHBondContact O-N 3.42Å
43R85.7Confident88Confident123 Ų12357 Ų5746%0.46431%0.31SS..SBendtrans-94.5133.1176.6-77.9-162.6170.4-142.6-1.9111.3Y39 V40 C46Y39-R43 VanDerWaalsContact CZ-NE 3.28Å; Y39-R43 PolarHBondContact O-N 3.23Å; Y39-R43 PolarHBondContact OH-NE 3.31Å; Y39-R43 PolarHBondContact OH-NH2 3Å; V40-R43 PolarHBondContact O-N 3.06Å; R43-C46 HydrophobicContact CB-CB 4.15Å; R43-C46 PolarHBondContact O-N 2.82Å
44E76.8Confident88.1Confident194 Ų19458 Ų5891%0.90732%0.315SS*.THydrogen-bonded Turntrans-61.9137.8176.9-61.6-163.3155.300111.6C46E44-C46 PolarHBondContact O-N 3.06Å; E44-C46 PolarHBondContact O-SG 3.1Å
45G78.6Confident88.4Confident82 Ų8256.1 Ų56.185%0.84531%0.308SS*.THydrogen-bonded Turntrans71.75.6176.400000116
46C79.6Confident88.6Confident19 Ų1954.4 Ų54.413%0.12830%0.298CS..  trans-104.7-3.1-178.4-58.80000113.6V40 R43 E44 D49 M54V40-C46 HydrophobicContact CG1-CB 4.07Å; V40-C46 WeakPolarHBondContact CG1-O 3.39Å; R43-C46 HydrophobicContact CB-CB 4.15Å; R43-C46 PolarHBondContact O-N 2.82Å; E44-C46 PolarHBondContact O-N 3.06Å; E44-C46 PolarHBondContact O-SG 3.1Å; C46-D49 CarbonylContact C-O 3.57Å; C46-D49 VanDerWaalsContact O-O 3.1Å; C46-M54 WeakPolarHBondContact SG-CE 3.48Å
47F86.6Confident88.8Confident90 Ų9058.3 Ų58.340%0.39532%0.316SS..SBendtrans-135.2135.1178.5-177.1-96000108.8Q41 T115 L116Q41-F47 HydrophobicContact CG-CD2 3.61Å; Q41-F47 HydrophobicContact CG-CE2 3.89Å; Q41-F47 HydrophobicContact CG-CG 3.99Å; Q41-F47 HydrophobicContact CG-CZ 4.49Å; F47-T115 HydrophobicContact CD2-CG2 4.41Å; F47-L116 HydrophobicContact CE2-CD1 4.39Å; F47-L116 HydrophobicContact CE2-CD2 4.23Å; F47-L116 HydrophobicContact CE2-CG 4.06Å; F47-L116 HydrophobicContact CZ-CD1 4.39Å
48P88.9Confident89Confident65 Ų6558.2 Ų58.242%0.42231%0.314SS..SBendcis-81.5-14.91033.2-36000115.4T115P48-T115 VanDerWaalsContact O-CB 3.24Å; P48-T115 WeakPolarHBondContact O-CB 3.17Å; P48-T115 PolarHBondContact O-N 3.14Å; P48-T115 PolarHBondContact O-OG1 2.87Å
49D92Very high89.2Confident87 Ų8755.7 Ų55.747%0.46530%0.299SS..EExtended strand (participates in β ladder)trans-96.7121.7-172.7-59.1-52.1000112.9C46 V113C46-D49 CarbonylContact C-O 3.57Å; C46-D49 VanDerWaalsContact O-O 3.1Å; D49-V113 CarbonylContact C-O 3.52Å
50L93.4Very high89.4Confident0 Ų055.1 Ų55.10%030%0.302CS..EExtended strand (participates in β ladder)trans-92.5112.4176.5-177.969.9000110.1M36 V40 M54 W55 S112 V113 T115 F118M36-L50 HydrophobicContact CE-CD2 3.62Å; V40-L50 HydrophobicContact CG1-CD1 4.21Å; V40-L50 HydrophobicContact CG2-CD1 3.98Å; L50-M54 HydrophobicContact CD1-CB 3.86Å; L50-M54 HydrophobicContact CD1-CG 3.6Å; L50-W55 HydrophobicContact CD2-CB 4.05Å; L50-W55 HydrophobicContact CG-CB 4.28Å; L50-S112 VanDerWaalsContact O-CA 3.3Å; L50-S112 WeakPolarHBondContact O-CA 3.33Å; L50-V113 HydrophobicContact CB-CG2 4.2Å; L50-V113 PolarHBondContact N-O 2.81Å; L50-V113 PolarHBondContact O-N 2.98Å; L50-T115 PolarHBondContact N-OG1 3.18Å; L50-F118 HydrophobicContact CD2-CD1 3.6Å; L50-F118 HydrophobicContact CD2-CE1 4Å
51S94Very high89.5Confident43 Ų4357.5 Ų57.530%0.30133%0.326SS..EExtended strand (participates in β ladder)trans-73.8154.1174.167.10000112.7S53 M54 W55 L111S51-S53 VanDerWaalsContact C-N 3.26Å; S51-S53 PolarHBondContact O-N 3.29Å; S51-M54 PolarHBondContact O-N 3.37Å; S51-M54 VanDerWaalsContact O-N 3.13Å; S51-M54 PolarHBondContact OG-N 3.19Å; S51-W55 PolarHBondContact O-N 3.19Å; S51-L111 WeakPolarHBondContact CA-O 3.32Å
52W94Very high89.7Confident1 Ų161.5 Ų61.50%0.00434%0.343CS..Hα-helixtrans-52.7-43.8172.3167.4-118000112M54 W55 R56 E67 A70 W71 F74 R108 L111W52-M54 VanDerWaalsContact C-N 3.3Å; W52-M54 PolarHBondContact O-N 3.4Å; W52-W55 AromaticContact CE3-CD1 3.68Å; W52-W55 AromaticContact CZ3-CD1 3.44Å; W52-W55 VanDerWaalsContact CZ3-CD1 3.44Å; W52-W55 AromaticContact CZ3-NE1 3.99Å; W52-W55 PolarHBondContact O-N 2.91Å; W52-R56 HydrophobicContact CD2-CB 4.38Å; W52-R56 HydrophobicContact CH2-CB 4.22Å; W52-R56 HydrophobicContact CZ2-CB 3.97Å; W52-R56 HydrophobicContact CZ2-CG 4.08Å; W52-R56 VanDerWaalsContact O-CB 3.3Å; W52-R56 WeakPolarHBondContact O-CB 3.36Å; W52-R56 PolarHBondContact O-N 3.3Å; W52-E67 HydrophobicContact CZ2-CG 4.34Å; W52-A70 HydrophobicContact CH2-CB 4.19Å; W52-A70 HydrophobicContact CZ3-CB 4.41Å; W52-W71 AromaticContact CD2-CE3 3.66Å; W52-W71 HydrophobicContact CD2-CE3 3.66Å; W52-W71 AromaticContact CD2-CZ3 3.79Å; W52-W71 HydrophobicContact CD2-CZ3 3.79Å; W52-W71 AromaticContact CE2-CE3 3.67Å; W52-W71 AromaticContact CE3-CE3 3.65Å; W52-W71 HydrophobicContact CE3-CE3 3.65Å; W52-W71 HydrophobicContact CE3-CZ3 4.01Å; W52-W71 HydrophobicContact CG-CE3 4.42Å; W52-W71 HydrophobicContact CG-CZ3 4.08Å; W52-W71 VanDerWaalsContact CH2-CA 3.48Å; W52-W71 HydrophobicContact CH2-CB 3.66Å; W52-W71 HydrophobicContact CH2-CD2 4.45Å; W52-W71 AromaticContact CH2-CE3 3.77Å; W52-W71 HydrophobicContact CH2-CE3 3.77Å; W52-W71 HydrophobicContact CH2-CG 4.47Å; W52-W71 HydrophobicContact CZ2-CB 4.25Å; W52-W71 AromaticContact CZ2-CE3 3.74Å; W52-W71 HydrophobicContact CZ2-CE3 3.74Å; W52-W71 HydrophobicContact CZ3-CB 4.18Å; W52-W71 AromaticContact CZ3-CE3 3.71Å; W52-W71 HydrophobicContact CZ3-CE3 3.71Å; W52-F74 HydrophobicContact CB-CE1 4.31Å; W52-F74 HydrophobicContact CB-CE2 4.43Å; W52-F74 HydrophobicContact CB-CZ 4.12Å; W52-F74 HydrophobicContact CE3-CB 3.98Å; W52-F74 HydrophobicContact CE3-CD1 4.25Å; W52-F74 HydrophobicContact CE3-CD2 4.07Å; W52-F74 AromaticContact CE3-CG 3.83Å; W52-F74 HydrophobicContact CE3-CG 3.83Å; W52-F74 HydrophobicContact CZ3-CB 4Å; W52-F74 HydrophobicContact CZ3-CG 4.37Å; W52-R108 VanDerWaalsContact CB-O 3.28Å; W52-R108 WeakPolarHBondContact CB-O 3.41Å; W52-R108 HydrophobicContact CG-CB 4.38Å; W52-L111 PolarHBondContact N-O 3.27Å
53S92.8Very high89.8Confident59 Ų5957.1 Ų57.141%0.41332%0.316SS..Hα-helixtrans-59.3-40.3179.8-57.30000112.5S51 H57S51-S53 VanDerWaalsContact C-N 3.26Å; S51-S53 PolarHBondContact O-N 3.29Å; S53-H57 WeakPolarHBondContact O-CB 3.31Å; S53-H57 PolarHBondContact O-N 3.48Å; S53-H57 VanDerWaalsContact O-N 3.09Å
54M93.4Very high90Very high23 Ų2358.2 Ų58.211%0.11333%0.326CS..Hα-helixtrans-71.5-43.6176.3-176.553.673.400111.5Y39 C46 L50 S51 W52 H57 I58Y39-M54 HydrophobicContact CE1-SD 3.96Å; C46-M54 WeakPolarHBondContact SG-CE 3.48Å; L50-M54 HydrophobicContact CD1-CB 3.86Å; L50-M54 HydrophobicContact CD1-CG 3.6Å; S51-M54 PolarHBondContact O-N 3.37Å; S51-M54 VanDerWaalsContact O-N 3.13Å; S51-M54 PolarHBondContact OG-N 3.19Å; W52-M54 VanDerWaalsContact C-N 3.3Å; W52-M54 PolarHBondContact O-N 3.4Å; M54-H57 WeakPolarHBondContact O-CB 3.35Å; M54-H57 PolarHBondContact O-N 3.28Å; M54-I58 HydrophobicContact CG-CD1 3.95Å; M54-I58 WeakPolarHBondContact O-CG1 3.24Å; M54-I58 PolarHBondContact O-N 3.08Å; M54-I58 HydrophobicContact SD-CD1 4.06Å; M54-I58 HydrophobicContact SD-CG1 4.22Å
55W94.9Very high90.6Very high0 Ų049.4 Ų49.40%029%0.285CS..Hα-helixtrans-60.4-47175.6172.1-127.2000111.8M36 L50 S51 W52 H57 I58 A59 L63 L65 A70 F74 F118 L122M36-W55 HydrophobicContact CE-CE3 3.9Å; M36-W55 HydrophobicContact CE-CZ3 3.93Å; M36-W55 HydrophobicContact SD-CE3 4.16Å; M36-W55 HydrophobicContact SD-CZ3 3.65Å; L50-W55 HydrophobicContact CD2-CB 4.05Å; L50-W55 HydrophobicContact CG-CB 4.28Å; S51-W55 PolarHBondContact O-N 3.19Å; W52-W55 AromaticContact CE3-CD1 3.68Å; W52-W55 AromaticContact CZ3-CD1 3.44Å; W52-W55 VanDerWaalsContact CZ3-CD1 3.44Å; W52-W55 AromaticContact CZ3-NE1 3.99Å; W52-W55 PolarHBondContact O-N 2.91Å; W55-H57 VanDerWaalsContact C-N 3.3Å; W55-H57 PolarHBondContact O-N 3.05Å; W55-I58 HydrophobicContact CE3-CB 4.48Å; W55-I58 HydrophobicContact CZ3-CG2 4.45Å; W55-I58 PolarHBondContact O-N 3.39Å; W55-I58 VanDerWaalsContact O-N 3.13Å; W55-A59 HydrophobicContact CD2-CB 4.01Å; W55-A59 HydrophobicContact CE3-CB 4.15Å; W55-A59 HydrophobicContact CH2-CB 3.95Å; W55-A59 HydrophobicContact CZ2-CB 3.8Å; W55-A59 HydrophobicContact CZ3-CB 4.11Å; W55-A59 WeakPolarHBondContact O-CB 3.27Å; W55-A59 PolarHBondContact O-N 3.1Å; W55-L63 HydrophobicContact CH2-CD1 4.19Å; W55-L63 HydrophobicContact CZ3-CD1 4.21Å; W55-L65 HydrophobicContact CH2-CD1 4.35Å; W55-L65 HydrophobicContact CZ2-CD1 4.47Å; W55-A70 PolarHBondContact NE1-O 3.08Å; W55-F74 HydrophobicContact CB-CD2 4.3Å; W55-F74 AromaticContact CD1-CD2 3.64Å; W55-F74 HydrophobicContact CG-CD2 4.19Å; W55-F118 AromaticContact CD2-CE1 3.64Å; W55-F118 HydrophobicContact CD2-CE1 3.64Å; W55-F118 HydrophobicContact CD2-CZ 4.06Å; W55-F118 AromaticContact CE2-CE1 3.78Å; W55-F118 AromaticContact CE2-CZ 3.75Å; W55-F118 AromaticContact CE3-CE1 3.84Å; W55-F118 HydrophobicContact CE3-CE1 3.84Å; W55-F118 HydrophobicContact CG-CE1 4.06Å; W55-F118 HydrophobicContact CG-CZ 4.35Å; W55-F118 HydrophobicContact CH2-CE1 4.31Å; W55-F118 HydrophobicContact CZ2-CE1 4.13Å; W55-F118 HydrophobicContact CZ2-CZ 4.08Å; W55-F118 HydrophobicContact CZ3-CE1 4.18Å; W55-F118 AromaticContact NE1-CZ 3.86Å; W55-L122 HydrophobicContact CH2-CD1 3.62Å; W55-L122 HydrophobicContact CH2-CD2 4.21Å; W55-L122 HydrophobicContact CZ2-CD1 4.3Å; W55-L122 HydrophobicContact CZ2-CD2 4.23Å; W55-L122 HydrophobicContact CZ3-CD1 3.87Å
56R94.3Very high91.2Very high88 Ų8848.3 Ų48.333%0.33226%0.263SS..Hα-helixtrans-55.8-44.2174.7-176.8-176.6176.5-173.56.8111.5W52 I58 C60 E67W52-R56 HydrophobicContact CD2-CB 4.38Å; W52-R56 HydrophobicContact CH2-CB 4.22Å; W52-R56 HydrophobicContact CZ2-CB 3.97Å; W52-R56 HydrophobicContact CZ2-CG 4.08Å; W52-R56 VanDerWaalsContact O-CB 3.3Å; W52-R56 WeakPolarHBondContact O-CB 3.36Å; W52-R56 PolarHBondContact O-N 3.3Å; R56-I58 PolarHBondContact O-N 3.05Å; R56-C60 VanDerWaalsContact O-CB 3.26Å; R56-C60 WeakPolarHBondContact O-CB 3.43Å; R56-C60 PolarHBondContact O-N 2.92Å; R56-C60 PolarHBondContact O-SG 2.89Å; R56-E67 VanDerWaalsContact CZ-CD 3.5Å; R56-E67 IonicContact CZ-OE1 3.03Å; R56-E67 IonicContact CZ-OE2 3.49Å; R56-E67 VanDerWaalsContact NE-CD 3.26Å; R56-E67 IonicContact NE-OE1 3.92Å; R56-E67 PolarHBondContact NE-OE1 3.34Å; R56-E67 VanDerWaalsContact NE-OE1 3.09Å; R56-E67 IonicContact NE-OE2 3.09Å; R56-E67 PolarHBondContact NE-OE2 3.25Å; R56-E67 IonicContact NH1-OE1 3.94Å; R56-E67 VanDerWaalsContact NH2-CD 3.28Å; R56-E67 IonicContact NH2-OE1 3.76Å; R56-E67 PolarHBondContact NH2-OE1 2.88Å; R56-E67 IonicContact NH2-OE2 2.98Å; R56-E67 PolarHBondContact NH2-OE2 3.09Å
57H93.2Very high91.7Very high88 Ų8850 Ų5041%0.40727%0.269SS..Iπ-helixtrans-61-44.4176.3176.177.7000112.4Y39 S53 M54 W55 G61Y39-H57 PolarHBondContact OH-NE2 3.01Å; S53-H57 WeakPolarHBondContact O-CB 3.31Å; S53-H57 PolarHBondContact O-N 3.48Å; S53-H57 VanDerWaalsContact O-N 3.09Å; M54-H57 WeakPolarHBondContact O-CB 3.35Å; M54-H57 PolarHBondContact O-N 3.28Å; W55-H57 VanDerWaalsContact C-N 3.3Å; W55-H57 PolarHBondContact O-N 3.05Å; H57-G61 VanDerWaalsContact O-CA 3.24Å; H57-G61 WeakPolarHBondContact O-CA 3.44Å; H57-G61 PolarHBondContact O-N 3.09Å
58I93.8Very high91.9Very high5 Ų550.1 Ų50.13%0.02627%0.274CS..Iπ-helixtrans-70-50.2179.4-64.5166.1000110.5M36 Y39 V40 M54 W55 R56 K62 L63M36-I58 HydrophobicContact CG-CD1 4.32Å; M36-I58 HydrophobicContact CG-CG2 4.2Å; M36-I58 HydrophobicContact SD-CG2 4.39Å; Y39-I58 HydrophobicContact CD1-CD1 3.87Å; Y39-I58 HydrophobicContact CD1-CG1 4.01Å; Y39-I58 HydrophobicContact CE1-CD1 4.16Å; Y39-I58 HydrophobicContact CE1-CG1 3.94Å; V40-I58 HydrophobicContact CG2-CD1 3.57Å; M54-I58 HydrophobicContact CG-CD1 3.95Å; M54-I58 WeakPolarHBondContact O-CG1 3.24Å; M54-I58 PolarHBondContact O-N 3.08Å; M54-I58 HydrophobicContact SD-CD1 4.06Å; M54-I58 HydrophobicContact SD-CG1 4.22Å; W55-I58 HydrophobicContact CE3-CB 4.48Å; W55-I58 HydrophobicContact CZ3-CG2 4.45Å; W55-I58 PolarHBondContact O-N 3.39Å; W55-I58 VanDerWaalsContact O-N 3.13Å; R56-I58 PolarHBondContact O-N 3.05Å; I58-K62 CarbonylContact O-C 3.57Å; I58-K62 WeakPolarHBondContact O-CA 3.23Å; I58-K62 VanDerWaalsContact O-CB 3.27Å; I58-K62 WeakPolarHBondContact O-CB 3.39Å; I58-K62 PolarHBondContact O-N 3.45Å; I58-L63 HydrophobicContact CG2-CD1 4.43Å; I58-L63 HydrophobicContact CG2-CG 4.43Å; I58-L63 PolarHBondContact O-N 3.1Å
59A93.2Very high92Very high0 Ų047.2 Ų47.20%026%0.255CS..Iπ-helixtrans-63.2-55.2-176.600000111.4W55 L63 Q64 L65 A70W55-A59 HydrophobicContact CD2-CB 4.01Å; W55-A59 HydrophobicContact CE3-CB 4.15Å; W55-A59 HydrophobicContact CH2-CB 3.95Å; W55-A59 HydrophobicContact CZ2-CB 3.8Å; W55-A59 HydrophobicContact CZ3-CB 4.11Å; W55-A59 WeakPolarHBondContact O-CB 3.27Å; W55-A59 PolarHBondContact O-N 3.1Å; A59-L63 CarbonylContact O-C 3.56Å; A59-L63 WeakPolarHBondContact O-CA 3.33Å; A59-L63 WeakPolarHBondContact O-CB 3.25Å; A59-L63 PolarHBondContact O-N 2.92Å; A59-Q64 PolarHBondContact O-N 3.29Å; A59-L65 HydrophobicContact CB-CB 4.35Å; A59-L65 HydrophobicContact CB-CD1 4.18Å; A59-L65 PolarHBondContact O-N 3.41Å; A59-A70 HydrophobicContact CB-CB 3.53Å
60C92.7Very high92Very high42 Ų4243.1 Ų43.128%0.28423%0.233SC..Iπ-helixtrans-77.3-40.9-177.3-55.40000111.9R56 Q64 L65R56-C60 VanDerWaalsContact O-CB 3.26Å; R56-C60 WeakPolarHBondContact O-CB 3.43Å; R56-C60 PolarHBondContact O-N 2.92Å; R56-C60 PolarHBondContact O-SG 2.89Å; C60-Q64 WeakPolarHBondContact O-CA 3.25Å; C60-L65 WeakPolarHBondContact CA-O 3.39Å
61G90.5Very high92.1Very high49 Ų4944.6 Ų44.651%0.50524%0.239SC..Iπ-helixtrans-80.7-46.6-17500000114H57H57-G61 VanDerWaalsContact O-CA 3.24Å; H57-G61 WeakPolarHBondContact O-CA 3.44Å; H57-G61 PolarHBondContact O-N 3.09Å
62K89.5Confident92Very high133 Ų13342.8 Ų42.858%0.57823%0.226SC*.Iπ-helixtrans-97-43.5-173.7-55.4-64.5-175.2-1780112.7I58I58-K62 CarbonylContact O-C 3.57Å; I58-K62 WeakPolarHBondContact O-CA 3.23Å; I58-K62 VanDerWaalsContact O-CB 3.27Å; I58-K62 WeakPolarHBondContact O-CB 3.39Å; I58-K62 PolarHBondContact O-N 3.45Å
63L88.6Confident92Very high8 Ų843.2 Ų43.24%0.04223%0.227CC..SBendtrans-87.2-14.1-179.4-56.9179.4000112.7K27 Y32 W55 I58 A59 L65K27-L63 HydrophobicContact CB-CB 4.48Å; K27-L63 WeakPolarHBondContact CG-O 3.38Å; Y32-L63 HydrophobicContact CD1-CD2 3.95Å; Y32-L63 HydrophobicContact CG-CD2 4.03Å; W55-L63 HydrophobicContact CH2-CD1 4.19Å; W55-L63 HydrophobicContact CZ3-CD1 4.21Å; I58-L63 HydrophobicContact CG2-CD1 4.43Å; I58-L63 HydrophobicContact CG2-CG 4.43Å; I58-L63 PolarHBondContact O-N 3.1Å; A59-L63 CarbonylContact O-C 3.56Å; A59-L63 WeakPolarHBondContact O-CA 3.33Å; A59-L63 WeakPolarHBondContact O-CB 3.25Å; A59-L63 PolarHBondContact O-N 2.92Å; L63-L65 HydrophobicContact CB-CD1 4.2Å; L63-L65 HydrophobicContact CB-CG 3.91Å; L63-L65 HydrophobicContact CD1-CD1 4.14Å; L63-L65 PolarHBondContact O-N 3.32Å
64Q89.5Confident92.1Very high147 Ų14740.4 Ų40.469%0.68721%0.208SC*.  trans56.934.3-176.7-57.5174.10.600112.4A59 C60A59-Q64 PolarHBondContact O-N 3.29Å; C60-Q64 WeakPolarHBondContact O-CA 3.25Å
65L89.8Confident92.1Very high9 Ų940.9 Ų40.95%0.04721%0.209CC..  trans-76.5141.7172-62.7176.8000109.4T25 K27 L28 W55 A59 C60 L63 L69T25-L65 HydrophobicContact CG2-CD2 4.21Å; K27-L65 HydrophobicContact CB-CD2 4.17Å; K27-L65 HydrophobicContact CG-CD2 4.46Å; L28-L65 HydrophobicContact CD2-CD1 4.42Å; W55-L65 HydrophobicContact CH2-CD1 4.35Å; W55-L65 HydrophobicContact CZ2-CD1 4.47Å; A59-L65 HydrophobicContact CB-CB 4.35Å; A59-L65 HydrophobicContact CB-CD1 4.18Å; A59-L65 PolarHBondContact O-N 3.41Å; C60-L65 WeakPolarHBondContact CA-O 3.39Å; L63-L65 HydrophobicContact CB-CD1 4.2Å; L63-L65 HydrophobicContact CB-CG 3.91Å; L63-L65 HydrophobicContact CD1-CD1 4.14Å; L63-L65 PolarHBondContact O-N 3.32Å; L65-L69 HydrophobicContact CD2-CD2 4.34Å
66P90.4Very high92Very high58 Ų5841 Ų4138%0.37721%0.21SC..  trans-56.8144.4167.9-23.933.8000111.3D68 L69 A70 L452P66-D68 VanDerWaalsContact C-N 3.32Å; P66-D68 PolarHBondContact O-N 2.88Å; P66-L69 HydrophobicContact CB-CB 4.28Å; P66-L69 PolarHBondContact O-N 2.96Å; P66-L69 VanDerWaalsContact O-N 3.13Å; P66-A70 PolarHBondContact O-N 2.95Å; P66-L452 HydrophobicContact CB-CD1 3.51Å; P66-L452 HydrophobicContact CB-CG 4.44Å; P66-L452 HydrophobicContact CG-CD1 4.08Å
67E91.3Very high92Very high54 Ų5436.8 Ų36.825%0.25220%0.195SC..Hα-helixtrans-60.2-41.6-177.4-174.8169.916400112.2W52 R56 L69 A70 W71W52-E67 HydrophobicContact CZ2-CG 4.34Å; R56-E67 VanDerWaalsContact CZ-CD 3.5Å; R56-E67 IonicContact CZ-OE1 3.03Å; R56-E67 IonicContact CZ-OE2 3.49Å; R56-E67 VanDerWaalsContact NE-CD 3.26Å; R56-E67 IonicContact NE-OE1 3.92Å; R56-E67 PolarHBondContact NE-OE1 3.34Å; R56-E67 VanDerWaalsContact NE-OE1 3.09Å; R56-E67 IonicContact NE-OE2 3.09Å; R56-E67 PolarHBondContact NE-OE2 3.25Å; R56-E67 IonicContact NH1-OE1 3.94Å; R56-E67 VanDerWaalsContact NH2-CD 3.28Å; R56-E67 IonicContact NH2-OE1 3.76Å; R56-E67 PolarHBondContact NH2-OE1 2.88Å; R56-E67 IonicContact NH2-OE2 2.98Å; R56-E67 PolarHBondContact NH2-OE2 3.09Å; E67-L69 VanDerWaalsContact C-N 3.28Å; E67-L69 PolarHBondContact O-N 3.4Å; E67-A70 WeakPolarHBondContact O-CB 3.32Å; E67-A70 PolarHBondContact O-N 2.91Å; E67-W71 WeakPolarHBondContact O-CB 3.35Å; E67-W71 PolarHBondContact O-N 3.36Å
68D90.1Very high91.9Very high93 Ų9334 Ų3450%0.49718%0.183SC..Hα-helixtrans-65-33.6178.9-56.1-38.4000112P66 L72 L445 L452P66-D68 VanDerWaalsContact C-N 3.32Å; P66-D68 PolarHBondContact O-N 2.88Å; D68-L72 VanDerWaalsContact O-CB 3.28Å; D68-L72 WeakPolarHBondContact O-CB 3.5Å; D68-L72 PolarHBondContact O-N 2.84Å; D68-L445 HydrophobicContact CB-CD1 3.93Å; D68-L445 HydrophobicContact CB-CD2 4.35Å; D68-L452 HydrophobicContact CB-CD1 3.8Å
69L90.6Very high91.6Very high5 Ų535.6 Ų35.63%0.02619%0.191CC..Hα-helixtrans-73-39.1175-179.260000111.3T25 L65 P66 E67 W71 L72 Y73 L447 L452T25-L69 HydrophobicContact CG2-CD2 4.06Å; L65-L69 HydrophobicContact CD2-CD2 4.34Å; P66-L69 HydrophobicContact CB-CB 4.28Å; P66-L69 PolarHBondContact O-N 2.96Å; P66-L69 VanDerWaalsContact O-N 3.13Å; E67-L69 VanDerWaalsContact C-N 3.28Å; E67-L69 PolarHBondContact O-N 3.4Å; L69-W71 VanDerWaalsContact C-N 3.34Å; L69-L72 HydrophobicContact CD1-CD2 4.08Å; L69-L72 WeakPolarHBondContact O-CB 3.36Å; L69-L72 PolarHBondContact O-N 3.44Å; L69-Y73 HydrophobicContact CD1-CD2 4.31Å; L69-Y73 HydrophobicContact CD1-CE2 3.72Å; L69-Y73 HydrophobicContact CD2-CE2 4.3Å; L69-Y73 HydrophobicContact CG-CD2 4.24Å; L69-Y73 HydrophobicContact CG-CE2 3.74Å; L69-Y73 WeakPolarHBondContact O-CD2 3.08Å; L69-Y73 PolarHBondContact O-N 3.41Å; L69-Y73 VanDerWaalsContact O-N 3.1Å; L69-L447 HydrophobicContact CD1-CD2 4.08Å; L69-L452 HydrophobicContact CB-CD1 4.25Å; L69-L452 HydrophobicContact CB-CG 4.43Å
70A93.1Very high91.4Very high0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-62.3-43.6173.900000111.1W52 W55 A59 P66 E67 Y73 F74W52-A70 HydrophobicContact CH2-CB 4.19Å; W52-A70 HydrophobicContact CZ3-CB 4.41Å; W55-A70 PolarHBondContact NE1-O 3.08Å; A59-A70 HydrophobicContact CB-CB 3.53Å; P66-A70 PolarHBondContact O-N 2.95Å; E67-A70 WeakPolarHBondContact O-CB 3.32Å; E67-A70 PolarHBondContact O-N 2.91Å; A70-Y73 PolarHBondContact O-N 3.43Å; A70-F74 PolarHBondContact O-N 2.83Å
71W93.7Very high91Very high31 Ų3136.7 Ų36.712%0.11719%0.193CC..Hα-helixtrans-62.9-45174.5179.9-104.9000110.9W52 E67 L69 Y73 F74 E75 R108 L111W52-W71 AromaticContact CD2-CE3 3.66Å; W52-W71 HydrophobicContact CD2-CE3 3.66Å; W52-W71 AromaticContact CD2-CZ3 3.79Å; W52-W71 HydrophobicContact CD2-CZ3 3.79Å; W52-W71 AromaticContact CE2-CE3 3.67Å; W52-W71 AromaticContact CE3-CE3 3.65Å; W52-W71 HydrophobicContact CE3-CE3 3.65Å; W52-W71 HydrophobicContact CE3-CZ3 4.01Å; W52-W71 HydrophobicContact CG-CE3 4.42Å; W52-W71 HydrophobicContact CG-CZ3 4.08Å; W52-W71 VanDerWaalsContact CH2-CA 3.48Å; W52-W71 HydrophobicContact CH2-CB 3.66Å; W52-W71 HydrophobicContact CH2-CD2 4.45Å; W52-W71 AromaticContact CH2-CE3 3.77Å; W52-W71 HydrophobicContact CH2-CE3 3.77Å; W52-W71 HydrophobicContact CH2-CG 4.47Å; W52-W71 HydrophobicContact CZ2-CB 4.25Å; W52-W71 AromaticContact CZ2-CE3 3.74Å; W52-W71 HydrophobicContact CZ2-CE3 3.74Å; W52-W71 HydrophobicContact CZ3-CB 4.18Å; W52-W71 AromaticContact CZ3-CE3 3.71Å; W52-W71 HydrophobicContact CZ3-CE3 3.71Å; E67-W71 WeakPolarHBondContact O-CB 3.35Å; E67-W71 PolarHBondContact O-N 3.36Å; L69-W71 VanDerWaalsContact C-N 3.34Å; W71-Y73 VanDerWaalsContact C-N 3.32Å; W71-Y73 PolarHBondContact O-N 3.07Å; W71-F74 HydrophobicContact CZ3-CD1 4.07Å; W71-F74 PolarHBondContact O-N 3.42Å; W71-E75 HydrophobicContact CZ2-CB 4.33Å; W71-E75 HydrophobicContact CZ2-CG 4.49Å; W71-E75 PolarHBondContact NE1-OE1 3.48Å; W71-E75 VanDerWaalsContact O-CB 3.31Å; W71-E75 WeakPolarHBondContact O-CB 3.27Å; W71-E75 PolarHBondContact O-N 3.44Å; W71-R108 HydrophobicContact CE3-CG 4.36Å; W71-R108 HydrophobicContact CH2-CB 3.95Å; W71-R108 HydrophobicContact CH2-CG 3.39Å; W71-R108 HydrophobicContact CZ2-CG 3.95Å; W71-R108 HydrophobicContact CZ3-CB 3.78Å; W71-R108 HydrophobicContact CZ3-CG 3.63Å; W71-L111 HydrophobicContact CH2-CD1 3.61Å; W71-L111 HydrophobicContact CZ3-CD1 4.2Å
72L93.1Very high90.4Very high6 Ų637.9 Ų37.93%0.03121%0.206CC..Hα-helixtrans-53.8-47.9176.717765.7000111.4L20 D68 L69 F74 T76 L405 L445 L447L20-L72 HydrophobicContact CD1-CD2 3.9Å; D68-L72 VanDerWaalsContact O-CB 3.28Å; D68-L72 WeakPolarHBondContact O-CB 3.5Å; D68-L72 PolarHBondContact O-N 2.84Å; L69-L72 HydrophobicContact CD1-CD2 4.08Å; L69-L72 WeakPolarHBondContact O-CB 3.36Å; L69-L72 PolarHBondContact O-N 3.44Å; L72-F74 VanDerWaalsContact C-N 3.35Å; L72-F74 PolarHBondContact O-N 3.11Å; L72-T76 VanDerWaalsContact O-CB 3.23Å; L72-T76 WeakPolarHBondContact O-CB 3.48Å; L72-T76 PolarHBondContact O-N 2.65Å; L72-T76 PolarHBondContact O-OG1 2.83Å; L72-L405 HydrophobicContact CD1-CD1 4.37Å; L72-L405 HydrophobicContact CD1-CD2 4.29Å; L72-L405 HydrophobicContact CD2-CD1 3.79Å; L72-L405 HydrophobicContact CD2-CD2 3.94Å; L72-L445 HydrophobicContact CD2-CD2 4.42Å; L72-L447 HydrophobicContact CD2-CD1 4.06Å
73Y93.9Very high90.3Very high9 Ų933.1 Ų33.14%0.03519%0.186CC..Hα-helixtrans-61.6-43.3177.2-74.2-56.8000112.4L20 L28 L69 A70 W71 T76 F77 F121 L122 Q125L20-Y73 HydrophobicContact CD1-CD1 4.5Å; L20-Y73 HydrophobicContact CD1-CE1 3.8Å; L20-Y73 HydrophobicContact CG-CE1 4.46Å; L28-Y73 HydrophobicContact CD1-CE1 4.28Å; L28-Y73 HydrophobicContact CD1-CE2 3.85Å; L69-Y73 HydrophobicContact CD1-CD2 4.31Å; L69-Y73 HydrophobicContact CD1-CE2 3.72Å; L69-Y73 HydrophobicContact CD2-CE2 4.3Å; L69-Y73 HydrophobicContact CG-CD2 4.24Å; L69-Y73 HydrophobicContact CG-CE2 3.74Å; L69-Y73 WeakPolarHBondContact O-CD2 3.08Å; L69-Y73 PolarHBondContact O-N 3.41Å; L69-Y73 VanDerWaalsContact O-N 3.1Å; A70-Y73 PolarHBondContact O-N 3.43Å; W71-Y73 VanDerWaalsContact C-N 3.32Å; W71-Y73 PolarHBondContact O-N 3.07Å; Y73-T76 PolarHBondContact O-N 3.35Å; Y73-F77 PolarHBondContact O-N 3.17Å; Y73-F121 HydrophobicContact CD1-CE1 4.09Å; Y73-F121 HydrophobicContact CD1-CZ 4.37Å; Y73-F121 WeakPolarHBondContact O-CE1 3.44Å; Y73-L122 HydrophobicContact CD1-CD2 4.23Å; Y73-L122 HydrophobicContact CD2-CD2 4.4Å; Y73-L122 HydrophobicContact CG-CD2 3.97Å; Y73-Q125 HydrophobicContact CD1-CG 4.35Å; Y73-Q125 HydrophobicContact CE1-CG 3.79Å
74F94.5Very high90.6Very high0 Ų035.5 Ų35.50%020%0.201CC..Hα-helixtrans-65.3-49.4-179.6-165.1-86.3000111.8W52 W55 A70 W71 L72 T76 F77 D78 L111 V113 F118W52-F74 HydrophobicContact CB-CE1 4.31Å; W52-F74 HydrophobicContact CB-CE2 4.43Å; W52-F74 HydrophobicContact CB-CZ 4.12Å; W52-F74 HydrophobicContact CE3-CB 3.98Å; W52-F74 HydrophobicContact CE3-CD1 4.25Å; W52-F74 HydrophobicContact CE3-CD2 4.07Å; W52-F74 AromaticContact CE3-CG 3.83Å; W52-F74 HydrophobicContact CE3-CG 3.83Å; W52-F74 HydrophobicContact CZ3-CB 4Å; W52-F74 HydrophobicContact CZ3-CG 4.37Å; W55-F74 HydrophobicContact CB-CD2 4.3Å; W55-F74 AromaticContact CD1-CD2 3.64Å; W55-F74 HydrophobicContact CG-CD2 4.19Å; A70-F74 PolarHBondContact O-N 2.83Å; W71-F74 HydrophobicContact CZ3-CD1 4.07Å; W71-F74 PolarHBondContact O-N 3.42Å; L72-F74 VanDerWaalsContact C-N 3.35Å; L72-F74 PolarHBondContact O-N 3.11Å; F74-T76 VanDerWaalsContact C-N 3.35Å; F74-T76 PolarHBondContact O-N 2.99Å; F74-F77 PolarHBondContact O-N 2.9Å; F74-D78 PolarHBondContact O-N 3.09Å; F74-L111 HydrophobicContact CE1-CB 3.62Å; F74-L111 HydrophobicContact CE1-CD1 4.11Å; F74-L111 HydrophobicContact CZ-CB 3.99Å; F74-V113 HydrophobicContact CD2-CG2 4.36Å; F74-V113 HydrophobicContact CE1-CG1 4.21Å; F74-V113 HydrophobicContact CE2-CB 4.44Å; F74-V113 HydrophobicContact CE2-CG1 3.92Å; F74-V113 HydrophobicContact CE2-CG2 3.7Å; F74-V113 HydrophobicContact CZ-CG1 3.69Å; F74-V113 HydrophobicContact CZ-CG2 4.26Å; F74-F118 HydrophobicContact CD2-CZ 4.35Å
75E92.6Very high90.8Very high33 Ų3330.1 Ų30.115%0.15418%0.178CC..Hα-helixtrans-64.2-37.6177-172.8-169.6-98.100111.9W71 F77 D78 L79 R385 T402W71-E75 HydrophobicContact CZ2-CB 4.33Å; W71-E75 HydrophobicContact CZ2-CG 4.49Å; W71-E75 PolarHBondContact NE1-OE1 3.48Å; W71-E75 VanDerWaalsContact O-CB 3.31Å; W71-E75 WeakPolarHBondContact O-CB 3.27Å; W71-E75 PolarHBondContact O-N 3.44Å; E75-F77 VanDerWaalsContact C-N 3.32Å; E75-F77 PolarHBondContact O-N 2.72Å; E75-D78 PolarHBondContact O-N 2.99Å; E75-L79 WeakPolarHBondContact O-CG 3.36Å; E75-L79 PolarHBondContact O-N 3.3Å; E75-R385 IonicContact OE2-CZ 3.09Å; E75-R385 IonicContact OE2-NE 2.85Å; E75-R385 IonicContact OE2-NH2 3.06Å; E75-R385 PolarHBondContact OE2-NH2 3.33Å; E75-T402 HydrophobicContact CG-CG2 4.15Å; E75-T402 WeakPolarHBondContact OE1-CG2 3.48Å; E75-T402 WeakPolarHBondContact OE2-CB 3.46Å; E75-T402 WeakPolarHBondContact OE2-CG2 3.35Å
76T93.1Very high91.1Very high3 Ų335.6 Ų35.62%0.01820%0.203CC..Hα-helixtrans-60.9-44.4173.7-55.40000111L72 Y73 F74 L79 L80 F121 R385L72-T76 VanDerWaalsContact O-CB 3.23Å; L72-T76 WeakPolarHBondContact O-CB 3.48Å; L72-T76 PolarHBondContact O-N 2.65Å; L72-T76 PolarHBondContact O-OG1 2.83Å; Y73-T76 PolarHBondContact O-N 3.35Å; F74-T76 VanDerWaalsContact C-N 3.35Å; F74-T76 PolarHBondContact O-N 2.99Å; T76-L79 PolarHBondContact O-N 3.45Å; T76-L80 WeakPolarHBondContact O-CG 3.36Å; T76-L80 PolarHBondContact O-N 2.82Å; T76-F121 HydrophobicContact CG2-CE2 3.96Å; T76-F121 HydrophobicContact CG2-CZ 3.75Å; T76-R385 PolarHBondContact OG1-NH1 3.33Å; T76-R385 PolarHBondContact OG1-NH2 3.17Å
77F94.4Very high91.3Very high0 Ų036.6 Ų36.60%020%0.203CC..Hα-helixtrans-66-43.2179.2-174.9-106.5000111.3Y73 F74 E75 L79 L80 L81 V113 Q117 F118 F121 L213Y73-F77 PolarHBondContact O-N 3.17Å; F74-F77 PolarHBondContact O-N 2.9Å; E75-F77 VanDerWaalsContact C-N 3.32Å; E75-F77 PolarHBondContact O-N 2.72Å; F77-L79 VanDerWaalsContact C-N 3.31Å; F77-L79 PolarHBondContact O-N 3Å; F77-L80 HydrophobicContact CD2-CD1 4.46Å; F77-L80 WeakPolarHBondContact O-CB 3.35Å; F77-L80 PolarHBondContact O-N 3.35Å; F77-L81 HydrophobicContact CD1-CD1 4.49Å; F77-L81 HydrophobicContact CE1-CD1 4.29Å; F77-L81 HydrophobicContact CE1-CD2 3.91Å; F77-L81 HydrophobicContact CE1-CG 4.35Å; F77-L81 HydrophobicContact CZ-CD2 3.99Å; F77-L81 PolarHBondContact O-N 2.91Å; F77-V113 HydrophobicContact CD1-CB 3.91Å; F77-V113 HydrophobicContact CD1-CG1 3.78Å; F77-V113 HydrophobicContact CD1-CG2 4.42Å; F77-V113 HydrophobicContact CE1-CB 3.82Å; F77-V113 HydrophobicContact CE1-CG1 4.1Å; F77-Q117 HydrophobicContact CE2-CB 4.29Å; F77-Q117 HydrophobicContact CZ-CB 3.67Å; F77-F118 HydrophobicContact CB-CD2 3.85Å; F77-F118 HydrophobicContact CB-CE2 3.94Å; F77-F118 AromaticContact CD1-CD2 3.79Å; F77-F118 HydrophobicContact CD1-CD2 3.79Å; F77-F118 HydrophobicContact CD2-CD2 4.3Å; F77-F118 HydrophobicContact CE1-CB 4.38Å; F77-F118 HydrophobicContact CE1-CD2 4.45Å; F77-F118 AromaticContact CG-CD2 3.7Å; F77-F118 HydrophobicContact CG-CD2 3.7Å; F77-F118 HydrophobicContact CG-CE2 4.31Å; F77-F121 HydrophobicContact CB-CD1 3.91Å; F77-F121 HydrophobicContact CB-CE1 3.98Å; F77-F121 HydrophobicContact CB-CG 4.2Å; F77-F121 HydrophobicContact CB-CZ 4.32Å; F77-F121 HydrophobicContact CD2-CB 3.48Å; F77-F121 VanDerWaalsContact CD2-CB 3.48Å; F77-F121 AromaticContact CD2-CD1 3.95Å; F77-F121 HydrophobicContact CD2-CD1 3.95Å; F77-F121 AromaticContact CD2-CD2 3.82Å; F77-F121 HydrophobicContact CD2-CD2 3.82Å; F77-F121 AromaticContact CD2-CG 3.45Å; F77-F121 HydrophobicContact CD2-CG 3.45Å; F77-F121 VanDerWaalsContact CD2-CG 3.45Å; F77-F121 HydrophobicContact CE2-CB 3.76Å; F77-F121 HydrophobicContact CE2-CG 4.24Å; F77-F121 HydrophobicContact CG-CB 4.45Å; F77-F121 HydrophobicContact CG-CD1 4.24Å; F77-F121 HydrophobicContact CG-CG 4.18Å; F77-L213 HydrophobicContact CE2-CD1 4.06Å; F77-L213 HydrophobicContact CE2-CD2 3.94Å
78D90.9Very high91.4Very high29 Ų2935.8 Ų35.816%0.15520%0.198CC..Hα-helixtrans-57.9-40.6175.1-173.672.8000112.2F74 E75 L80 L81 H83 R91F74-D78 PolarHBondContact O-N 3.09Å; E75-D78 PolarHBondContact O-N 2.99Å; D78-L80 PolarHBondContact O-N 2.91Å; D78-L81 WeakPolarHBondContact O-CB 3.17Å; D78-L81 PolarHBondContact O-N 3.2Å; D78-H83 IonicContact OD1-CD2 2.77Å; D78-H83 IonicContact OD1-NE2 3.34Å; D78-H83 PolarHBondContact OD1-NE2 2.99Å; D78-R91 VanDerWaalsContact CG-NH1 3.27Å; D78-R91 IonicContact OD1-CZ 3.55Å; D78-R91 IonicContact OD1-NH1 3.21Å; D78-R91 PolarHBondContact OD1-NH1 3.3Å; D78-R91 IonicContact OD2-NH1 2.91Å; D78-R91 PolarHBondContact OD2-NH1 3.04Å
79L88.4Confident91.6Very high38 Ų3834 Ų3420%0.19919%0.188CC..Hα-helixtrans-64.7-21.3174.6-73.9173.1000114.3E75 T76 F77 R385E75-L79 WeakPolarHBondContact O-CG 3.36Å; E75-L79 PolarHBondContact O-N 3.3Å; T76-L79 PolarHBondContact O-N 3.45Å; F77-L79 VanDerWaalsContact C-N 3.31Å; F77-L79 PolarHBondContact O-N 3Å; L79-R385 HydrophobicContact CD1-CB 4.23Å
80L88.4Confident91.8Very high22 Ų2239.8 Ų39.812%0.11522%0.215CC..Hα-helixtrans-81.5-23.5173.7-62.9172.9000112.3L17 T76 F77 D78 F121L17-L80 HydrophobicContact CB-CD2 3.49Å; L17-L80 VanDerWaalsContact CB-CD2 3.49Å; L17-L80 HydrophobicContact CD1-CD2 4.33Å; T76-L80 WeakPolarHBondContact O-CG 3.36Å; T76-L80 PolarHBondContact O-N 2.82Å; F77-L80 HydrophobicContact CD2-CD1 4.46Å; F77-L80 WeakPolarHBondContact O-CB 3.35Å; F77-L80 PolarHBondContact O-N 3.35Å; D78-L80 PolarHBondContact O-N 2.91Å; L80-F121 HydrophobicContact CD1-CD2 3.84Å; L80-F121 HydrophobicContact CD1-CE2 3.85Å
81L85.4Confident91.6Very high43 Ų4343.4 Ų43.423%0.22523%0.229CC..SBendtrans-67.4145179.8-59.4179.5000109.9F77 D78 H83F77-L81 HydrophobicContact CD1-CD1 4.49Å; F77-L81 HydrophobicContact CE1-CD1 4.29Å; F77-L81 HydrophobicContact CE1-CD2 3.91Å; F77-L81 HydrophobicContact CE1-CG 4.35Å; F77-L81 HydrophobicContact CZ-CD2 3.99Å; F77-L81 PolarHBondContact O-N 2.91Å; D78-L81 WeakPolarHBondContact O-CB 3.17Å; D78-L81 PolarHBondContact O-N 3.2Å; L81-H83 PolarHBondContact O-N 3.42Å
82G77.4Confident91.6Very high74 Ų7442.4 Ų42.476%0.76323%0.227SC*.  trans-77.145.7-174.800000114
83H88.1Confident91.6Very high34 Ų3447.5 Ų47.516%0.15725%0.251CS..  trans-60.9137.5178.3-72.1-52.3000111.5D78 L81 E87 R88 R91D78-H83 IonicContact OD1-CD2 2.77Å; D78-H83 IonicContact OD1-NE2 3.34Å; D78-H83 PolarHBondContact OD1-NE2 2.99Å; L81-H83 PolarHBondContact O-N 3.42Å; H83-E87 VanDerWaalsContact CA-OE2 3.23Å; H83-E87 WeakPolarHBondContact CA-OE2 3.36Å; H83-E87 HydrophobicContact CB-CB 4.45Å; H83-E87 WeakPolarHBondContact CB-OE2 3.08Å; H83-E87 IonicContact CG-OE2 3.36Å; H83-E87 IonicContact ND1-OE2 2.64Å; H83-E87 PolarHBondContact ND1-OE2 3.11Å; H83-R88 HydrophobicContact CB-CG 3.76Å; H83-R88 PolarHBondContact O-NE 3.24Å; H83-R91 PolarHBondContact CD2-NH1 3.37Å; H83-R91 VanDerWaalsContact CD2-NH1 3.29Å; H83-R91 PolarHBondContact CE1-NH2 3.14Å; H83-R91 PolarHBondContact ND1-NH2 3.46Å; H83-R91 PolarHBondContact NE2-NH1 3.24Å; H83-R91 PolarHBondContact NE2-NH2 3.44Å
84T93.1Very high91.5Very high58 Ų5849.2 Ų49.236%0.35626%0.263SS..  trans-66.5157.9177.5820000109.9E86 E87 R88T84-E86 WeakPolarHBondContact CB-OE2 3.32Å; T84-E86 PolarHBondContact O-N 3.31Å; T84-E86 PolarHBondContact OG1-N 3.21Å; T84-E86 PolarHBondContact OG1-OE2 3.35Å; T84-E87 PolarHBondContact N-OE2 3.17Å; T84-E87 VanDerWaalsContact N-OE2 3.07Å; T84-E87 PolarHBondContact O-N 3.33Å; T84-E87 PolarHBondContact OG1-N 3.37Å; T84-R88 PolarHBondContact O-N 2.66Å; T84-R88 PolarHBondContact O-NE 2.66Å
85P94.3Very high91.2Very high33 Ų3352.1 Ų52.121%0.21428%0.279CS..Hα-helixtrans-53.7-39.6173.4-26.536.7000112.5R88 L89 A430 S431 G433P85-R88 PolarHBondContact O-N 3.44Å; P85-L89 WeakPolarHBondContact O-CG 3.24Å; P85-L89 PolarHBondContact O-N 3.15Å; P85-A430 WeakPolarHBondContact CB-O 3.04Å; P85-S431 WeakPolarHBondContact CG-O 3.46Å; P85-G433 WeakPolarHBondContact O-CA 3.49Å
86E95.9Very high91Very high124 Ų12453.1 Ų53.158%0.57929%0.289SS*.Hα-helixtrans-64.6-48.1-178.6-55.972.3-153.200111.5T84 R88 L89 E90T84-E86 WeakPolarHBondContact CB-OE2 3.32Å; T84-E86 PolarHBondContact O-N 3.31Å; T84-E86 PolarHBondContact OG1-N 3.21Å; T84-E86 PolarHBondContact OG1-OE2 3.35Å; E86-R88 PolarHBondContact O-N 2.88Å; E86-L89 PolarHBondContact O-N 2.76Å; E86-L89 VanDerWaalsContact O-N 3.15Å; E86-E90 PolarHBondContact O-N 3.18Å
87E94.1Very high90.8Very high79 Ų7959 Ų5937%0.36932%0.317SS..Hα-helixtrans-57.5-36.5176.3-69.9175.1162.300111.8H83 T84 R91H83-E87 VanDerWaalsContact CA-OE2 3.23Å; H83-E87 WeakPolarHBondContact CA-OE2 3.36Å; H83-E87 HydrophobicContact CB-CB 4.45Å; H83-E87 WeakPolarHBondContact CB-OE2 3.08Å; H83-E87 IonicContact CG-OE2 3.36Å; H83-E87 IonicContact ND1-OE2 2.64Å; H83-E87 PolarHBondContact ND1-OE2 3.11Å; T84-E87 PolarHBondContact N-OE2 3.17Å; T84-E87 VanDerWaalsContact N-OE2 3.07Å; T84-E87 PolarHBondContact O-N 3.33Å; T84-E87 PolarHBondContact OG1-N 3.37Å; E87-R91 WeakPolarHBondContact O-CB 3.38Å; E87-R91 VanDerWaalsContact O-CG 3.23Å; E87-R91 WeakPolarHBondContact O-CG 3.48Å; E87-R91 PolarHBondContact O-N 3.36Å; E87-R91 VanDerWaalsContact O-N 3.09Å
88R93.9Very high90.6Very high38 Ų3860 Ų6014%0.14332%0.323CS..Hα-helixtrans-75.3-35.2180-70.1-176.2-75.5137.84.9112.4H83 T84 P85 E86 A92 V432 G433H83-R88 HydrophobicContact CB-CG 3.76Å; H83-R88 PolarHBondContact O-NE 3.24Å; T84-R88 PolarHBondContact O-N 2.66Å; T84-R88 PolarHBondContact O-NE 2.66Å; P85-R88 PolarHBondContact O-N 3.44Å; E86-R88 PolarHBondContact O-N 2.88Å; R88-A92 WeakPolarHBondContact O-CB 3.18Å; R88-A92 PolarHBondContact O-N 3.05Å; R88-V432 PolarHBondContact NH1-O 3.44Å; R88-V432 PolarHBondContact NH2-O 3.45Å; R88-G433 WeakPolarHBondContact CB-O 3.39Å
89L95.2Very high90.2Very high56 Ų5664.1 Ų64.129%0.29335%0.354SS..Hα-helixtrans-68.3-43.5173.2-68.5171.2000111.5P85 E86 R91 A92 E93 A435P85-L89 WeakPolarHBondContact O-CG 3.24Å; P85-L89 PolarHBondContact O-N 3.15Å; E86-L89 PolarHBondContact O-N 2.76Å; E86-L89 VanDerWaalsContact O-N 3.15Å; L89-R91 VanDerWaalsContact C-N 3.3Å; L89-R91 PolarHBondContact O-N 2.71Å; L89-A92 WeakPolarHBondContact O-CB 3.49Å; L89-A92 PolarHBondContact O-N 2.77Å; L89-A92 VanDerWaalsContact O-N 3.11Å; L89-E93 PolarHBondContact O-N 3.05Å; L89-A435 HydrophobicContact CD2-CB 3.99Å
90E93.8Very high90.2Very high126 Ų12664.3 Ų64.359%0.58936%0.358SS*.Hα-helixtrans-59.8-42.4175.7-174.8-178-17300111.1E86 E93 C94E86-E90 PolarHBondContact O-N 3.18Å; E90-E93 PolarHBondContact O-N 3.41Å; E90-C94 PolarHBondContact O-N 2.84Å; E90-C94 PolarHBondContact O-SG 2.86Å
91R90.3Very high90Very high76 Ų7670.5 Ų70.529%0.28739%0.385SS..Hα-helixtrans-62-44.9172.9-74.7173.9-171.8-168.43.3112D78 H83 E87 L89 E93 C94 L95D78-R91 VanDerWaalsContact CG-NH1 3.27Å; D78-R91 IonicContact OD1-CZ 3.55Å; D78-R91 IonicContact OD1-NH1 3.21Å; D78-R91 PolarHBondContact OD1-NH1 3.3Å; D78-R91 IonicContact OD2-NH1 2.91Å; D78-R91 PolarHBondContact OD2-NH1 3.04Å; H83-R91 PolarHBondContact CD2-NH1 3.37Å; H83-R91 VanDerWaalsContact CD2-NH1 3.29Å; H83-R91 PolarHBondContact CE1-NH2 3.14Å; H83-R91 PolarHBondContact ND1-NH2 3.46Å; H83-R91 PolarHBondContact NE2-NH1 3.24Å; H83-R91 PolarHBondContact NE2-NH2 3.44Å; E87-R91 WeakPolarHBondContact O-CB 3.38Å; E87-R91 VanDerWaalsContact O-CG 3.23Å; E87-R91 WeakPolarHBondContact O-CG 3.48Å; E87-R91 PolarHBondContact O-N 3.36Å; E87-R91 VanDerWaalsContact O-N 3.09Å; L89-R91 VanDerWaalsContact C-N 3.3Å; L89-R91 PolarHBondContact O-N 2.71Å; R91-E93 VanDerWaalsContact C-N 3.31Å; R91-E93 PolarHBondContact O-N 3.39Å; R91-C94 PolarHBondContact O-N 2.8Å; R91-L95 WeakPolarHBondContact O-CB 3.5Å; R91-L95 VanDerWaalsContact O-CG 3.28Å; R91-L95 WeakPolarHBondContact O-CG 3.28Å; R91-L95 PolarHBondContact O-N 3.31Å
92A92.6Very high90Very high10 Ų1072.7 Ų72.78%0.08340%0.403CS..Hα-helixtrans-61.9-41178.900000111.4R88 L89 L95 S96 A435R88-A92 WeakPolarHBondContact O-CB 3.18Å; R88-A92 PolarHBondContact O-N 3.05Å; L89-A92 WeakPolarHBondContact O-CB 3.49Å; L89-A92 PolarHBondContact O-N 2.77Å; L89-A92 VanDerWaalsContact O-N 3.11Å; A92-L95 PolarHBondContact O-N 2.76Å; A92-S96 WeakPolarHBondContact O-CB 3.29Å; A92-S96 PolarHBondContact O-N 3.24Å; A92-A435 HydrophobicContact CB-CB 3.82Å
93E93.3Very high90.5Very high113 Ų11372.6 Ų72.653%0.52838%0.383SS..Hα-helixtrans-60.5-50.6173.8-175.8176.6-171.200111.1L89 E90 R91 L95 S96 Q97L89-E93 PolarHBondContact O-N 3.05Å; E90-E93 PolarHBondContact O-N 3.41Å; R91-E93 VanDerWaalsContact C-N 3.31Å; R91-E93 PolarHBondContact O-N 3.39Å; E93-L95 VanDerWaalsContact C-N 3.3Å; E93-L95 PolarHBondContact O-N 3.27Å; E93-S96 PolarHBondContact O-N 3.38Å; E93-S96 VanDerWaalsContact O-N 3.09Å; E93-S96 PolarHBondContact O-OG 3.19Å; E93-Q97 WeakPolarHBondContact O-CG 3.44Å; E93-Q97 PolarHBondContact O-N 2.94Å
94C91Very high90.4Very high44 Ų4473.8 Ų73.830%0.29739%0.39SS..Hα-helixtrans-56.7-42.2176.8-69.40000112.6E90 R91 C98E90-C94 PolarHBondContact O-N 2.84Å; E90-C94 PolarHBondContact O-SG 2.86Å; R91-C94 PolarHBondContact O-N 2.8Å; C94-C98 PolarHBondContact O-SG 2.97Å
95L89.6Confident90Very high62 Ų6272.4 Ų72.433%0.32538%0.381SS..Hα-helixtrans-70.2-34.7178.1-69.7173.4000112R91 A92 E93 Q97 C98 L104 Q107 P438R91-L95 WeakPolarHBondContact O-CB 3.5Å; R91-L95 VanDerWaalsContact O-CG 3.28Å; R91-L95 WeakPolarHBondContact O-CG 3.28Å; R91-L95 PolarHBondContact O-N 3.31Å; A92-L95 PolarHBondContact O-N 2.76Å; E93-L95 VanDerWaalsContact C-N 3.3Å; E93-L95 PolarHBondContact O-N 3.27Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 2.91Å; L95-C98 WeakPolarHBondContact O-CB 3.1Å; L95-C98 PolarHBondContact O-N 3.27Å; L95-L104 HydrophobicContact CD2-CD2 3.97Å; L95-Q107 HydrophobicContact CD2-CB 4.16Å; L95-P438 HydrophobicContact CB-CG 4.17Å; L95-P438 HydrophobicContact CD1-CG 4.45Å
96S88.3Confident89.7Confident53 Ų5376.7 Ų76.737%0.37140%0.398SS..Hα-helixtrans-67.9-27.3178.876.50000113.5A92 E93 C98A92-S96 WeakPolarHBondContact O-CB 3.29Å; A92-S96 PolarHBondContact O-N 3.24Å; E93-S96 PolarHBondContact O-N 3.38Å; E93-S96 VanDerWaalsContact O-N 3.09Å; E93-S96 PolarHBondContact O-OG 3.19Å; S96-C98 VanDerWaalsContact C-N 3.29Å
97Q89.4Confident89.3Confident128 Ų12873 Ų7360%0.59838%0.381SS*.THydrogen-bonded Turntrans-78.1-15.4176.9-66.9173.39.500112.6E93 L95 S99E93-Q97 WeakPolarHBondContact O-CG 3.44Å; E93-Q97 PolarHBondContact O-N 2.94Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 2.91Å; Q97-S99 PolarHBondContact O-N 3.21Å
98C88.9Confident89Confident21 Ų2172.3 Ų72.314%0.14237%0.374CS..  trans-74.4116.7-179.9-63.10000110.3C94 L95 S96 E103 L104 Q107C94-C98 PolarHBondContact O-SG 2.97Å; L95-C98 WeakPolarHBondContact O-CB 3.1Å; L95-C98 PolarHBondContact O-N 3.27Å; S96-C98 VanDerWaalsContact C-N 3.29Å; C98-E103 WeakPolarHBondContact CA-OE2 3.43Å; C98-E103 HydrophobicContact CB-CB 3.97Å; C98-L104 HydrophobicContact CB-CD2 3.45Å; C98-L104 VanDerWaalsContact CB-CD2 3.45Å; C98-L104 HydrophobicContact CB-CG 3.73Å; C98-Q107 VanDerWaalsContact SG-CG 3.51Å
99S83.3Confident88.7Confident114 Ų11472.9 Ų72.980%0.79739%0.385SS*.  trans-96.5-20.4-179.8-61.30000112.6Q97 E103Q97-S99 PolarHBondContact O-N 3.21Å; S99-E103 PolarHBondContact N-OE2 3.44Å
100S87.3Confident88.4Confident42 Ų4276.7 Ų76.729%0.29440%0.399SS..SBendtrans-121.1153.4-177.973.50000112.8S102 E103 L104S100-S102 PolarHBondContact O-N 3.03Å; S100-E103 PolarHBondContact N-OE2 3.16Å; S100-E103 PolarHBondContact O-N 3.11Å; S100-E103 WeakPolarHBondContact OG-CG 3.5Å; S100-E103 PolarHBondContact OG-N 3.23Å; S100-E103 PolarHBondContact OG-OE1 3.39Å; S100-L104 PolarHBondContact O-N 3.21Å; S100-L104 VanDerWaalsContact O-N 3.14Å
101K84.6Confident88.2Confident153 Ų15372.5 Ų72.567%0.66538%0.38SS*.Hα-helixtrans-57.2-33.9173-176.5174.8178.6175.20112.1L104 D105K101-L104 PolarHBondContact O-N 2.99Å; K101-D105 WeakPolarHBondContact O-CB 3.22Å; K101-D105 PolarHBondContact O-N 3.16Å
102S85.9Confident88.3Confident88 Ų8871.9 Ų71.962%0.61539%0.388SS*.Hα-helixtrans-66.8-40.3178.4-171.60000112.5S100 D105 Q106S100-S102 PolarHBondContact O-N 3.03Å; S102-D105 PolarHBondContact O-N 3.26Å; S102-Q106 WeakPolarHBondContact O-CB 3.41Å; S102-Q106 PolarHBondContact O-N 2.8Å
103E88.7Confident88.3Confident73 Ų7371.6 Ų71.634%0.34139%0.385SS..Hα-helixtrans-65.7-42.4175.2-75.3152.1-133.400111.2C98 S99 S100 D105 Q106 Q107C98-E103 WeakPolarHBondContact CA-OE2 3.43Å; C98-E103 HydrophobicContact CB-CB 3.97Å; S99-E103 PolarHBondContact N-OE2 3.44Å; S100-E103 PolarHBondContact N-OE2 3.16Å; S100-E103 PolarHBondContact O-N 3.11Å; S100-E103 WeakPolarHBondContact OG-CG 3.5Å; S100-E103 PolarHBondContact OG-N 3.23Å; S100-E103 PolarHBondContact OG-OE1 3.39Å; E103-D105 PolarHBondContact O-N 2.79Å; E103-Q106 WeakPolarHBondContact O-CB 3.44Å; E103-Q106 PolarHBondContact O-N 2.82Å; E103-Q107 WeakPolarHBondContact O-CG 3.47Å; E103-Q107 PolarHBondContact O-N 3.23Å
104L85.3Confident88.4Confident58 Ų5868.5 Ų68.530%0.30437%0.372SS..Hα-helixtrans-58.4-47.9173.5-71.4173.6000111.1L95 C98 S100 K101 Q106 Q107 R108L95-L104 HydrophobicContact CD2-CD2 3.97Å; C98-L104 HydrophobicContact CB-CD2 3.45Å; C98-L104 VanDerWaalsContact CB-CD2 3.45Å; C98-L104 HydrophobicContact CB-CG 3.73Å; S100-L104 PolarHBondContact O-N 3.21Å; S100-L104 VanDerWaalsContact O-N 3.14Å; K101-L104 PolarHBondContact O-N 2.99Å; L104-Q106 VanDerWaalsContact C-N 3.26Å; L104-Q106 PolarHBondContact O-N 3.45Å; L104-Q107 PolarHBondContact O-N 3.42Å; L104-Q107 VanDerWaalsContact O-N 3.14Å; L104-R108 VanDerWaalsContact O-CG 3.29Å; L104-R108 WeakPolarHBondContact O-CG 3.42Å; L104-R108 PolarHBondContact O-N 3.05Å
105D85.4Confident88.5Confident30 Ų3066.4 Ų66.416%0.1636%0.358CS..Hα-helixtrans-62.7-33.7177.8-73.7-18.4000112K101 S102 E103 R108 S109K101-D105 WeakPolarHBondContact O-CB 3.22Å; K101-D105 PolarHBondContact O-N 3.16Å; S102-D105 PolarHBondContact O-N 3.26Å; E103-D105 PolarHBondContact O-N 2.79Å; D105-R108 PolarHBondContact O-N 3.36Å; D105-R108 IonicContact OD1-NH1 3.8Å; D105-S109 WeakPolarHBondContact O-CB 3.48Å; D105-S109 PolarHBondContact O-N 3.24Å; D105-S109 PolarHBondContact O-OG 2.8Å
106Q87.7Confident88.7Confident122 Ų12264 Ų6457%0.5735%0.345SS*.Hα-helixtrans-66.5-42.4173.1-170.4-178.713.800111.9S102 E103 L104 S109S102-Q106 WeakPolarHBondContact O-CB 3.41Å; S102-Q106 PolarHBondContact O-N 2.8Å; E103-Q106 WeakPolarHBondContact O-CB 3.44Å; E103-Q106 PolarHBondContact O-N 2.82Å; L104-Q106 VanDerWaalsContact C-N 3.26Å; L104-Q106 PolarHBondContact O-N 3.45Å; Q106-S109 PolarHBondContact O-N 2.95Å
107Q87.6Confident89Confident48 Ų4863.9 Ų63.922%0.22434%0.339CS..Hα-helixtrans-64.3-44.5174.3-64.3-57.4-20.200111.3L95 C98 E103 L104 S109 K110L95-Q107 HydrophobicContact CD2-CB 4.16Å; C98-Q107 VanDerWaalsContact SG-CG 3.51Å; E103-Q107 WeakPolarHBondContact O-CG 3.47Å; E103-Q107 PolarHBondContact O-N 3.23Å; L104-Q107 PolarHBondContact O-N 3.42Å; L104-Q107 VanDerWaalsContact O-N 3.14Å; Q107-S109 PolarHBondContact O-N 2.8Å; Q107-K110 WeakPolarHBondContact O-CB 3.42Å; Q107-K110 PolarHBondContact O-N 2.93Å; Q107-K110 VanDerWaalsContact O-N 3.09Å
108R87.8Confident89.3Confident63 Ų6357.8 Ų57.824%0.23831%0.31CS..Hα-helixtrans-58.2-37.1175.7-68.6-179.3167.1168.4-7.4112.2W52 W71 L104 D105 K110 L111W52-R108 VanDerWaalsContact CB-O 3.28Å; W52-R108 WeakPolarHBondContact CB-O 3.41Å; W52-R108 HydrophobicContact CG-CB 4.38Å; W71-R108 HydrophobicContact CE3-CG 4.36Å; W71-R108 HydrophobicContact CH2-CB 3.95Å; W71-R108 HydrophobicContact CH2-CG 3.39Å; W71-R108 HydrophobicContact CZ2-CG 3.95Å; W71-R108 HydrophobicContact CZ3-CB 3.78Å; W71-R108 HydrophobicContact CZ3-CG 3.63Å; L104-R108 VanDerWaalsContact O-CG 3.29Å; L104-R108 WeakPolarHBondContact O-CG 3.42Å; L104-R108 PolarHBondContact O-N 3.05Å; D105-R108 PolarHBondContact O-N 3.36Å; D105-R108 IonicContact OD1-NH1 3.8Å; R108-K110 PolarHBondContact O-N 3.38Å; R108-L111 WeakPolarHBondContact O-CB 3.47Å; R108-L111 PolarHBondContact O-N 2.93Å; R108-L111 VanDerWaalsContact O-N 3.08Å
109S86.8Confident89.6Confident51 Ų5156.9 Ų56.936%0.35730%0.304SS..Hα-helixtrans-66.2-18179.7-60.80000113.9D105 Q106 Q107 L111D105-S109 WeakPolarHBondContact O-CB 3.48Å; D105-S109 PolarHBondContact O-N 3.24Å; D105-S109 PolarHBondContact O-OG 2.8Å; Q106-S109 PolarHBondContact O-N 2.95Å; Q107-S109 PolarHBondContact O-N 2.8Å; S109-L111 VanDerWaalsContact C-N 3.28Å
110K88.2Confident90.2Very high136 Ų13651.5 Ų51.559%0.59127%0.266SS*.THydrogen-bonded Turntrans-78.1-13.6174.2-60.8174.5-174.7170.70112.9Q107 R108Q107-K110 WeakPolarHBondContact O-CB 3.42Å; Q107-K110 PolarHBondContact O-N 2.93Å; Q107-K110 VanDerWaalsContact O-N 3.09Å; R108-K110 PolarHBondContact O-N 3.38Å
111L89.8Confident90.6Very high37 Ų3749.5 Ų49.519%0.19425%0.252CS..  trans-80.9136.4-177.4-57.2171.5000111S51 W52 W71 F74 R108 S109S51-L111 WeakPolarHBondContact CA-O 3.32Å; W52-L111 PolarHBondContact N-O 3.27Å; W71-L111 HydrophobicContact CH2-CD1 3.61Å; W71-L111 HydrophobicContact CZ3-CD1 4.2Å; F74-L111 HydrophobicContact CE1-CB 3.62Å; F74-L111 HydrophobicContact CE1-CD1 4.11Å; F74-L111 HydrophobicContact CZ-CB 3.99Å; R108-L111 WeakPolarHBondContact O-CB 3.47Å; R108-L111 PolarHBondContact O-N 2.93Å; R108-L111 VanDerWaalsContact O-N 3.08Å; S109-L111 VanDerWaalsContact C-N 3.28Å
112S92.4Very high91.1Very high64 Ų6442.2 Ų42.245%0.44822%0.22SC..EExtended strand (participates in β ladder)trans-137.8153.8173600000110.8L50L50-S112 VanDerWaalsContact O-CA 3.3Å; L50-S112 WeakPolarHBondContact O-CA 3.33Å
113V93.9Very high91.5Very high4 Ų438 Ų382%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-136.7153.4-178.3-62.70000110.4D49 L50 F74 F77 T115 F118D49-V113 CarbonylContact C-O 3.52Å; L50-V113 HydrophobicContact CB-CG2 4.2Å; L50-V113 PolarHBondContact N-O 2.81Å; L50-V113 PolarHBondContact O-N 2.98Å; F74-V113 HydrophobicContact CD2-CG2 4.36Å; F74-V113 HydrophobicContact CE1-CG1 4.21Å; F74-V113 HydrophobicContact CE2-CB 4.44Å; F74-V113 HydrophobicContact CE2-CG1 3.92Å; F74-V113 HydrophobicContact CE2-CG2 3.7Å; F74-V113 HydrophobicContact CZ-CG1 3.69Å; F74-V113 HydrophobicContact CZ-CG2 4.26Å; F77-V113 HydrophobicContact CD1-CB 3.91Å; F77-V113 HydrophobicContact CD1-CG1 3.78Å; F77-V113 HydrophobicContact CD1-CG2 4.42Å; F77-V113 HydrophobicContact CE1-CB 3.82Å; F77-V113 HydrophobicContact CE1-CG1 4.1Å; V113-T115 PolarHBondContact O-N 3.38Å; V113-F118 HydrophobicContact CG2-CB 3.9Å; V113-F118 HydrophobicContact CG2-CD1 4.42Å; V113-F118 HydrophobicContact CG2-CD2 4.21Å; V113-F118 HydrophobicContact CG2-CG 3.93Å
114D94.1Very high91.8Very high47 Ų4734.5 Ų34.525%0.25118%0.175SC..EExtended strand (participates in β ladder)trans-61.4122.5173.4178.6-77.1000110.2L116 Q117 F118D114-L116 VanDerWaalsContact C-N 3.34Å; D114-L116 PolarHBondContact O-N 3.27Å; D114-L116 PolarHBondContact OD1-N 3.04Å; D114-Q117 HydrophobicContact CB-CB 4.12Å; D114-Q117 HydrophobicContact CB-CG 4.15Å; D114-Q117 PolarHBondContact O-N 3.22Å; D114-Q117 WeakPolarHBondContact OD1-CG 3.44Å; D114-Q117 PolarHBondContact OD1-N 3.47Å; D114-F118 VanDerWaalsContact O-CB 3.28Å; D114-F118 WeakPolarHBondContact O-CB 3.34Å; D114-F118 PolarHBondContact O-N 2.86Å
115T93.7Very high92.1Very high0 Ų031.9 Ų31.90%016%0.161CC..Hα-helixtrans-60.6-42.9-173.5-59.70000111.9V40 F47 P48 L50 V113 F118 L119V40-T115 HydrophobicContact CB-CG2 4.24Å; V40-T115 HydrophobicContact CG1-CG2 3.71Å; F47-T115 HydrophobicContact CD2-CG2 4.41Å; P48-T115 VanDerWaalsContact O-CB 3.24Å; P48-T115 WeakPolarHBondContact O-CB 3.17Å; P48-T115 PolarHBondContact O-N 3.14Å; P48-T115 PolarHBondContact O-OG1 2.87Å; L50-T115 PolarHBondContact N-OG1 3.18Å; V113-T115 PolarHBondContact O-N 3.38Å; T115-F118 PolarHBondContact O-N 3.41Å; T115-L119 HydrophobicContact CG2-CD1 4.12Å; T115-L119 WeakPolarHBondContact O-CB 3.36Å; T115-L119 VanDerWaalsContact O-CG 3.25Å; T115-L119 WeakPolarHBondContact O-CG 3.41Å; T115-L119 PolarHBondContact O-N 2.92Å
116L94Very high92.3Very high11 Ų1131.3 Ų31.36%0.05816%0.157CC..Hα-helixtrans-73.4-43.6-174.7-63.7-179.6000110.8F47 D114 F118 L119 L120 L185 A207F47-L116 HydrophobicContact CE2-CD1 4.39Å; F47-L116 HydrophobicContact CE2-CD2 4.23Å; F47-L116 HydrophobicContact CE2-CG 4.06Å; F47-L116 HydrophobicContact CZ-CD1 4.39Å; D114-L116 VanDerWaalsContact C-N 3.34Å; D114-L116 PolarHBondContact O-N 3.27Å; D114-L116 PolarHBondContact OD1-N 3.04Å; L116-F118 VanDerWaalsContact C-N 3.3Å; L116-F118 PolarHBondContact O-N 3.25Å; L116-L119 HydrophobicContact CD2-CD1 4.32Å; L116-L119 PolarHBondContact O-N 2.95Å; L116-L120 WeakPolarHBondContact O-CG 3.25Å; L116-L120 PolarHBondContact O-N 2.83Å; L116-L185 HydrophobicContact CB-CD2 4.15Å; L116-L185 HydrophobicContact CD1-CD2 4.42Å; L116-L185 HydrophobicContact CD2-CD2 4.27Å; L116-A207 HydrophobicContact CD1-CB 3.84Å
117Q95.3Very high92.4Very high51 Ų5125.7 Ų25.724%0.23813%0.131CC..Hα-helixtrans-62.2-40.5174.2-65.9-177.617.300111.2F77 D114 L120 F121 L213F77-Q117 HydrophobicContact CE2-CB 4.29Å; F77-Q117 HydrophobicContact CZ-CB 3.67Å; D114-Q117 HydrophobicContact CB-CB 4.12Å; D114-Q117 HydrophobicContact CB-CG 4.15Å; D114-Q117 PolarHBondContact O-N 3.22Å; D114-Q117 WeakPolarHBondContact OD1-CG 3.44Å; D114-Q117 PolarHBondContact OD1-N 3.47Å; Q117-L120 PolarHBondContact O-N 2.98Å; Q117-F121 WeakPolarHBondContact O-CB 3.14Å; Q117-F121 PolarHBondContact O-N 3.24Å; Q117-L213 HydrophobicContact CB-CD2 4.19Å; Q117-L213 HydrophobicContact CG-CB 4.39Å; Q117-L213 WeakPolarHBondContact O-CD2 3.05Å
118F95.7Very high92.3Very high0 Ų024.6 Ų24.60%013%0.127CC..Hα-helixtrans-65.4-39.6176.2-171.3-116.2000112.3M36 L50 W55 F74 F77 V113 D114 T115 L116 L120 F121 L122M36-F118 HydrophobicContact CE-CD1 4.06Å; M36-F118 HydrophobicContact CE-CE1 4.32Å; L50-F118 HydrophobicContact CD2-CD1 3.6Å; L50-F118 HydrophobicContact CD2-CE1 4Å; W55-F118 AromaticContact CD2-CE1 3.64Å; W55-F118 HydrophobicContact CD2-CE1 3.64Å; W55-F118 HydrophobicContact CD2-CZ 4.06Å; W55-F118 AromaticContact CE2-CE1 3.78Å; W55-F118 AromaticContact CE2-CZ 3.75Å; W55-F118 AromaticContact CE3-CE1 3.84Å; W55-F118 HydrophobicContact CE3-CE1 3.84Å; W55-F118 HydrophobicContact CG-CE1 4.06Å; W55-F118 HydrophobicContact CG-CZ 4.35Å; W55-F118 HydrophobicContact CH2-CE1 4.31Å; W55-F118 HydrophobicContact CZ2-CE1 4.13Å; W55-F118 HydrophobicContact CZ2-CZ 4.08Å; W55-F118 HydrophobicContact CZ3-CE1 4.18Å; W55-F118 AromaticContact NE1-CZ 3.86Å; F74-F118 HydrophobicContact CD2-CZ 4.35Å; F77-F118 HydrophobicContact CB-CD2 3.85Å; F77-F118 HydrophobicContact CB-CE2 3.94Å; F77-F118 AromaticContact CD1-CD2 3.79Å; F77-F118 HydrophobicContact CD1-CD2 3.79Å; F77-F118 HydrophobicContact CD2-CD2 4.3Å; F77-F118 HydrophobicContact CE1-CB 4.38Å; F77-F118 HydrophobicContact CE1-CD2 4.45Å; F77-F118 AromaticContact CG-CD2 3.7Å; F77-F118 HydrophobicContact CG-CD2 3.7Å; F77-F118 HydrophobicContact CG-CE2 4.31Å; V113-F118 HydrophobicContact CG2-CB 3.9Å; V113-F118 HydrophobicContact CG2-CD1 4.42Å; V113-F118 HydrophobicContact CG2-CD2 4.21Å; V113-F118 HydrophobicContact CG2-CG 3.93Å; D114-F118 VanDerWaalsContact O-CB 3.28Å; D114-F118 WeakPolarHBondContact O-CB 3.34Å; D114-F118 PolarHBondContact O-N 2.86Å; T115-F118 PolarHBondContact O-N 3.41Å; L116-F118 VanDerWaalsContact C-N 3.3Å; L116-F118 PolarHBondContact O-N 3.25Å; F118-L120 PolarHBondContact O-N 2.9Å; F118-F121 AromaticContact CD2-CD1 3.9Å; F118-F121 HydrophobicContact CD2-CD1 3.9Å; F118-F121 AromaticContact CE2-CD1 3.82Å; F118-F121 HydrophobicContact CE2-CD1 3.82Å; F118-F121 HydrophobicContact CE2-CE1 4.13Å; F118-F121 WeakPolarHBondContact O-CB 3.42Å; F118-F121 PolarHBondContact O-N 2.85Å; F118-L122 HydrophobicContact CD1-CD1 3.99Å; F118-L122 HydrophobicContact CD1-CG 4.35Å; F118-L122 HydrophobicContact CE1-CD1 3.66Å; F118-L122 HydrophobicContact CE1-CD2 4.33Å; F118-L122 HydrophobicContact CE1-CG 4.06Å; F118-L122 HydrophobicContact CE2-CD2 4.39Å; F118-L122 HydrophobicContact CE2-CG 4.48Å; F118-L122 HydrophobicContact CZ-CD1 4.17Å; F118-L122 HydrophobicContact CZ-CD2 3.98Å; F118-L122 HydrophobicContact CZ-CG 4.13Å; F118-L122 WeakPolarHBondContact O-CG 3.39Å; F118-L122 PolarHBondContact O-N 3.13Å
119L94.8Very high92Very high2 Ų228.1 Ų28.11%0.0114%0.14CC..Hα-helixtrans-60.6-43.2172.9-76.2167.2000112.2L33 M36 A37 T115 L116 F121 L122 Y123L33-L119 HydrophobicContact CB-CD2 4.35Å; L33-L119 HydrophobicContact CD2-CD2 4.19Å; M36-L119 HydrophobicContact CB-CD2 4.33Å; M36-L119 HydrophobicContact CE-CD2 3.86Å; M36-L119 HydrophobicContact CE-CG 4.38Å; M36-L119 HydrophobicContact CG-CD2 3.99Å; M36-L119 HydrophobicContact SD-CD2 3.7Å; A37-L119 HydrophobicContact CB-CD1 3.63Å; T115-L119 HydrophobicContact CG2-CD1 4.12Å; T115-L119 WeakPolarHBondContact O-CB 3.36Å; T115-L119 VanDerWaalsContact O-CG 3.25Å; T115-L119 WeakPolarHBondContact O-CG 3.41Å; T115-L119 PolarHBondContact O-N 2.92Å; L116-L119 HydrophobicContact CD2-CD1 4.32Å; L116-L119 PolarHBondContact O-N 2.95Å; L119-F121 VanDerWaalsContact C-N 3.34Å; L119-L122 PolarHBondContact O-N 3.48Å; L119-Y123 WeakPolarHBondContact O-CB 3.49Å; L119-Y123 PolarHBondContact O-N 3.17Å
120L95.4Very high90.9Very high1 Ų131.3 Ų31.31%0.00516%0.158CC..Hα-helixtrans-62.8-42.1174.6-67.4-177.4000111.3L116 Q117 F118 Y123 I124 I181 L185 S210 L211 L213 L214L116-L120 WeakPolarHBondContact O-CG 3.25Å; L116-L120 PolarHBondContact O-N 2.83Å; Q117-L120 PolarHBondContact O-N 2.98Å; F118-L120 PolarHBondContact O-N 2.9Å; L120-Y123 PolarHBondContact O-N 3.2Å; L120-I124 WeakPolarHBondContact O-CG2 3.31Å; L120-I124 PolarHBondContact O-N 2.94Å; L120-I181 HydrophobicContact CD2-CG2 3.79Å; L120-L185 HydrophobicContact CD1-CD2 4.41Å; L120-L185 HydrophobicContact CD2-CD2 4.35Å; L120-L185 HydrophobicContact CG-CD2 4.42Å; L120-S210 WeakPolarHBondContact CD1-O 3.22Å; L120-L211 HydrophobicContact CD1-CD2 4.2Å; L120-L213 HydrophobicContact CB-CD2 4.15Å; L120-L214 HydrophobicContact CB-CD1 4.12Å; L120-L214 HydrophobicContact CB-CG 4.46Å; L120-L214 HydrophobicContact CD1-CD1 4.36Å; L120-L214 HydrophobicContact CD2-CD1 4.43Å
121F96.2Very high89.4Confident0 Ų027.6 Ų27.60%015%0.149CC..Hα-helixtrans-60.9-42.5174.8165.9-98.3000112.9G18 Y73 T76 F77 L80 Q117 F118 L119 Y123 I124 Q125 L213G18-F121 WeakPolarHBondContact O-CE2 3.29Å; Y73-F121 HydrophobicContact CD1-CE1 4.09Å; Y73-F121 HydrophobicContact CD1-CZ 4.37Å; Y73-F121 WeakPolarHBondContact O-CE1 3.44Å; T76-F121 HydrophobicContact CG2-CE2 3.96Å; T76-F121 HydrophobicContact CG2-CZ 3.75Å; F77-F121 HydrophobicContact CB-CD1 3.91Å; F77-F121 HydrophobicContact CB-CE1 3.98Å; F77-F121 HydrophobicContact CB-CG 4.2Å; F77-F121 HydrophobicContact CB-CZ 4.32Å; F77-F121 HydrophobicContact CD2-CB 3.48Å; F77-F121 VanDerWaalsContact CD2-CB 3.48Å; F77-F121 AromaticContact CD2-CD1 3.95Å; F77-F121 HydrophobicContact CD2-CD1 3.95Å; F77-F121 AromaticContact CD2-CD2 3.82Å; F77-F121 HydrophobicContact CD2-CD2 3.82Å; F77-F121 AromaticContact CD2-CG 3.45Å; F77-F121 HydrophobicContact CD2-CG 3.45Å; F77-F121 VanDerWaalsContact CD2-CG 3.45Å; F77-F121 HydrophobicContact CE2-CB 3.76Å; F77-F121 HydrophobicContact CE2-CG 4.24Å; F77-F121 HydrophobicContact CG-CB 4.45Å; F77-F121 HydrophobicContact CG-CD1 4.24Å; F77-F121 HydrophobicContact CG-CG 4.18Å; L80-F121 HydrophobicContact CD1-CD2 3.84Å; L80-F121 HydrophobicContact CD1-CE2 3.85Å; Q117-F121 WeakPolarHBondContact O-CB 3.14Å; Q117-F121 PolarHBondContact O-N 3.24Å; F118-F121 AromaticContact CD2-CD1 3.9Å; F118-F121 HydrophobicContact CD2-CD1 3.9Å; F118-F121 AromaticContact CE2-CD1 3.82Å; F118-F121 HydrophobicContact CE2-CD1 3.82Å; F118-F121 HydrophobicContact CE2-CE1 4.13Å; F118-F121 WeakPolarHBondContact O-CB 3.42Å; F118-F121 PolarHBondContact O-N 2.85Å; L119-F121 VanDerWaalsContact C-N 3.34Å; F121-Y123 VanDerWaalsContact C-N 3.31Å; F121-I124 HydrophobicContact CD2-CD1 4.37Å; F121-I124 WeakPolarHBondContact O-CG1 3.33Å; F121-Q125 PolarHBondContact O-NE2 2.96Å; F121-L213 HydrophobicContact CB-CD2 4.16Å
122L95Very high87.3Confident0 Ų032.7 Ų32.70%018%0.175CC..Hα-helixtrans-66.2-36.7174.9-68.8177.5000111.3L28 L33 M36 W55 Y73 F118 L119 Q125L28-L122 HydrophobicContact CD2-CD2 4.33Å; L33-L122 HydrophobicContact CD1-CB 4.5Å; L33-L122 HydrophobicContact CD2-CB 3.81Å; L33-L122 HydrophobicContact CD2-CD1 3.9Å; M36-L122 HydrophobicContact CE-CD1 4.29Å; M36-L122 HydrophobicContact SD-CD1 4.15Å; W55-L122 HydrophobicContact CH2-CD1 3.62Å; W55-L122 HydrophobicContact CH2-CD2 4.21Å; W55-L122 HydrophobicContact CZ2-CD1 4.3Å; W55-L122 HydrophobicContact CZ2-CD2 4.23Å; W55-L122 HydrophobicContact CZ3-CD1 3.87Å; Y73-L122 HydrophobicContact CD1-CD2 4.23Å; Y73-L122 HydrophobicContact CD2-CD2 4.4Å; Y73-L122 HydrophobicContact CG-CD2 3.97Å; F118-L122 HydrophobicContact CD1-CD1 3.99Å; F118-L122 HydrophobicContact CD1-CG 4.35Å; F118-L122 HydrophobicContact CE1-CD1 3.66Å; F118-L122 HydrophobicContact CE1-CD2 4.33Å; F118-L122 HydrophobicContact CE1-CG 4.06Å; F118-L122 HydrophobicContact CE2-CD2 4.39Å; F118-L122 HydrophobicContact CE2-CG 4.48Å; F118-L122 HydrophobicContact CZ-CD1 4.17Å; F118-L122 HydrophobicContact CZ-CD2 3.98Å; F118-L122 HydrophobicContact CZ-CG 4.13Å; F118-L122 WeakPolarHBondContact O-CG 3.39Å; F118-L122 PolarHBondContact O-N 3.13Å; L119-L122 PolarHBondContact O-N 3.48Å; L122-Q125 WeakPolarHBondContact O-CB 3.31Å; L122-Q125 VanDerWaalsContact O-CG 3.3Å; L122-Q125 WeakPolarHBondContact O-CG 3.48Å; L122-Q125 PolarHBondContact O-N 3.25Å
123Y94.3Very high84.9Confident0 Ų039.5 Ų39.50%019%0.191CC..Hα-helixtrans-67-39.9179.4-172.9-89.7000112.6L30 L33 L119 L120 F121 Q125 Q126 F173 H177 D180 I181 L184L30-Y123 HydrophobicContact CB-CE2 4.15Å; L30-Y123 HydrophobicContact CD1-CD2 4.3Å; L30-Y123 HydrophobicContact CD1-CE2 3.82Å; L30-Y123 HydrophobicContact CG-CE2 4.44Å; L33-Y123 HydrophobicContact CD1-CD2 3.86Å; L33-Y123 HydrophobicContact CD1-CG 4.36Å; L119-Y123 WeakPolarHBondContact O-CB 3.49Å; L119-Y123 PolarHBondContact O-N 3.17Å; L120-Y123 PolarHBondContact O-N 3.2Å; F121-Y123 VanDerWaalsContact C-N 3.31Å; Y123-Q125 PolarHBondContact O-N 3.07Å; Y123-Q125 VanDerWaalsContact O-N 3.15Å; Y123-Q126 WeakPolarHBondContact O-CB 3.25Å; Y123-Q126 WeakPolarHBondContact O-CG 3.29Å; Y123-Q126 PolarHBondContact O-N 3.46Å; Y123-Q126 VanDerWaalsContact O-N 3.1Å; Y123-F173 HydrophobicContact CD1-CZ 4.29Å; Y123-F173 HydrophobicContact CE1-CE1 4.49Å; Y123-F173 HydrophobicContact CE1-CZ 4.06Å; Y123-H177 HydrophobicContact CE1-CB 3.83Å; Y123-H177 AromaticContact CE1-ND1 3.96Å; Y123-H177 AromaticContact CZ-ND1 3.73Å; Y123-H177 PolarHBondContact OH-ND1 3.01Å; Y123-D180 HydrophobicContact CE2-CB 4.13Å; Y123-D180 WeakPolarHBondContact OH-CB 3.48Å; Y123-D180 PolarHBondContact OH-OD2 3.38Å; Y123-I181 HydrophobicContact CD1-CD1 4.47Å; Y123-I181 HydrophobicContact CD1-CG1 3.86Å; Y123-I181 HydrophobicContact CE1-CD1 4.35Å; Y123-I181 HydrophobicContact CE1-CG1 3.8Å; Y123-L184 HydrophobicContact CD2-CD1 3.59Å; Y123-L184 HydrophobicContact CE2-CD1 4.3Å; Y123-L184 HydrophobicContact CG-CD1 3.87Å
124I94.4Very high82.5Confident0 Ų044.3 Ų44.30%022%0.221CC..Hα-helixtrans-66.6-13.5179.862.8166.4000114.1P14 F15 L120 F121 Q126 L127 F173 L214P14-I124 HydrophobicContact CB-CD1 3.68Å; P14-I124 WeakPolarHBondContact O-CD1 3.43Å; F15-I124 HydrophobicContact CD1-CB 4.3Å; F15-I124 HydrophobicContact CD1-CG2 4.5Å; F15-I124 HydrophobicContact CE1-CB 3.95Å; F15-I124 HydrophobicContact CE1-CG2 3.74Å; F15-I124 HydrophobicContact CZ-CG2 4.07Å; L120-I124 WeakPolarHBondContact O-CG2 3.31Å; L120-I124 PolarHBondContact O-N 2.94Å; F121-I124 HydrophobicContact CD2-CD1 4.37Å; F121-I124 WeakPolarHBondContact O-CG1 3.33Å; I124-Q126 PolarHBondContact O-N 3.17Å; I124-L127 WeakPolarHBondContact O-CB 3.46Å; I124-L127 PolarHBondContact O-N 3.42Å; I124-F173 HydrophobicContact CB-CE1 4.47Å; I124-F173 HydrophobicContact CG2-CE1 4.14Å; I124-L214 HydrophobicContact CD1-CD2 4.29Å; I124-L214 HydrophobicContact CG2-CD1 3.93Å; I124-L214 HydrophobicContact CG2-CD2 3.59Å; I124-L214 HydrophobicContact CG2-CG 4.43Å
125Q92.5Very high79.9Confident2 Ų246.1 Ų46.11%0.00924%0.237CC..G310 helixtrans-58.3-18.5171.1-54.9-57.1-40.100111.7G18 P24 L28 Y73 F121 L122 Y123 L127G18-Q125 PolarHBondContact O-NE2 3.11Å; P24-Q125 HydrophobicContact CB-CB 4.09Å; P24-Q125 WeakPolarHBondContact CD-O 3.46Å; L28-Q125 HydrophobicContact CD1-CB 4.49Å; Y73-Q125 HydrophobicContact CD1-CG 4.35Å; Y73-Q125 HydrophobicContact CE1-CG 3.79Å; F121-Q125 PolarHBondContact O-NE2 2.96Å; L122-Q125 WeakPolarHBondContact O-CB 3.31Å; L122-Q125 VanDerWaalsContact O-CG 3.3Å; L122-Q125 WeakPolarHBondContact O-CG 3.48Å; L122-Q125 PolarHBondContact O-N 3.25Å; Y123-Q125 PolarHBondContact O-N 3.07Å; Y123-Q125 VanDerWaalsContact O-N 3.15Å; Q125-L127 PolarHBondContact O-N 2.99Å
126Q89.7Confident77.1Confident18 Ų1852.9 Ų52.98%0.08427%0.272CS..G310 helixtrans-66.5-10.2171.6-64-172.771.500115.4P24 Y123 I124 N128 R129 F173P24-Q126 HydrophobicContact CG-CG 4.35Å; Y123-Q126 WeakPolarHBondContact O-CB 3.25Å; Y123-Q126 WeakPolarHBondContact O-CG 3.29Å; Y123-Q126 PolarHBondContact O-N 3.46Å; Y123-Q126 VanDerWaalsContact O-N 3.1Å; I124-Q126 PolarHBondContact O-N 3.17Å; Q126-N128 PolarHBondContact O-N 3.49Å; Q126-R129 WeakPolarHBondContact O-CB 3.38Å; Q126-R129 PolarHBondContact O-N 3.16Å; Q126-F173 HydrophobicContact CB-CE2 4.05Å; Q126-F173 HydrophobicContact CB-CZ 4.26Å
127L89.3Confident74.4Confident5 Ų559.8 Ų59.83%0.02631%0.308CS..G310 helixtrans-52.3-44.2176.9-178.570.9000112.2F15 A19 I124 Q125 R129 K163 F173F15-L127 HydrophobicContact CB-CD2 4.31Å; F15-L127 HydrophobicContact CD1-CD1 4.45Å; F15-L127 HydrophobicContact CD1-CD2 4.09Å; A19-L127 HydrophobicContact CB-CD2 4.26Å; I124-L127 WeakPolarHBondContact O-CB 3.46Å; I124-L127 PolarHBondContact O-N 3.42Å; Q125-L127 PolarHBondContact O-N 2.99Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-K163 HydrophobicContact CD1-CB 4.39Å; L127-K163 HydrophobicContact CD1-CD 4.48Å; L127-K163 HydrophobicContact CD2-CB 4.03Å; L127-K163 HydrophobicContact CG-CB 4.05Å; L127-K163 HydrophobicContact CG-CD 4.29Å; L127-K163 VanDerWaalsContact O-CD 3.28Å; L127-K163 WeakPolarHBondContact O-CD 3.34Å; L127-K163 PolarHBondContact O-NZ 3.43Å; L127-F173 HydrophobicContact CB-CD2 4.49Å; L127-F173 HydrophobicContact CD1-CB 3.86Å; L127-F173 HydrophobicContact CD1-CD2 4.09Å; L127-F173 HydrophobicContact CD1-CG 3.97Å
128N84.8Confident71.7Confident25 Ų2560.6 Ų60.613%0.13433%0.33CS..G310 helixtrans-92.912.2-176.5-67.5-48.7000113.3L20 Q126 V130 N164L20-N128 PolarHBondContact O-ND2 3.3Å; Q126-N128 PolarHBondContact O-N 3.49Å; N128-V130 PolarHBondContact O-N 2.77Å; N128-N164 PolarHBondContact ND2-OD1 3.42Å
129R82.6Confident68.7Low136 Ų13667.6 Ų67.651%0.51336%0.363SS..  trans-64.7127.5171.4-167.4173.7-178.3177-0.5110P24 Q126 L127 S131P24-R129 HydrophobicContact CG-CB 4.23Å; Q126-R129 WeakPolarHBondContact O-CB 3.38Å; Q126-R129 PolarHBondContact O-N 3.16Å; L127-R129 VanDerWaalsContact C-N 3.32Å; R129-S131 PolarHBondContact O-N 3.4Å
130V64Low65.7Low119 Ų11976.7 Ų76.772%0.72141%0.405SS*.  trans-71.7120.4176.5-177.30000108.7N128N128-V130 PolarHBondContact O-N 2.77Å
131S54.8Low62.8Low58 Ų5887.8 Ų87.841%0.40645%0.447SS..  trans-114.9119174.8179.90000109.3R129 R133 T134R129-S131 PolarHBondContact O-N 3.4Å; S131-R133 PolarHBondContact O-N 3Å; S131-T134 PolarHBondContact O-N 3.02Å; S131-T134 PolarHBondContact O-OG1 2.8Å
132L46.4Very low59.9Low144 Ų14493.1 Ų93.175%0.75448%0.481SS*.THydrogen-bonded Turntrans-66.3-16.5178.1-63.6171.9000112.9
133R42.9Very low56.9Low207 Ų20797.4 Ų97.478%0.78151%0.512SS*.THydrogen-bonded Turntrans-74.6-31179.6-74.2-178170.7160.3-2.6113.3S131 S135 L136S131-R133 PolarHBondContact O-N 3Å; R133-S135 VanDerWaalsContact C-N 3.3Å; R133-S135 PolarHBondContact O-N 2.95Å; R133-L136 PolarHBondContact O-N 3.1Å
134T42.5Very low53.8Low105 Ų105106.9 Ų106.964%0.64456%0.555SS**G310 helixtrans-73.8-19.8-179.824.70000113.7S131 L136S131-T134 PolarHBondContact O-N 3.02Å; S131-T134 PolarHBondContact O-OG1 2.8Å; T134-L136 PolarHBondContact O-N 3.15Å
135S40.4Very low50.9Low85 Ų85118.6 Ų118.659%0.59460%0.6SS**G310 helixtrans-71.6-16176.5-46.90000113.5R133R133-S135 VanDerWaalsContact C-N 3.3Å; R133-S135 PolarHBondContact O-N 2.95Å
136L34.3Very low47.9Very low142 Ų142122.4 Ų122.474%0.74363%0.631SS**G310 helixtrans-99.1-9-171.4-72.4164.4000114.6R133 T134R133-L136 PolarHBondContact O-N 3.1Å; T134-L136 PolarHBondContact O-N 3.15Å
137I37.7Very low45.2Very low156 Ų156133.2 Ų133.280%0.867%0.671SS**SBendtrans-97.82.4-173.5-64.4169.7000112.3
138G39.1Very low42.3Very low68 Ų68138.3 Ų138.370%0.70171%0.707SS**SBendtrans-123.3-1.3-177.500000116.8
139E31.8Very low39.9Very low147 Ų147141 Ų14169%0.68773%0.726SS**  trans-118.898.3178.1-64.6-158.4161.700109.5W141E139-W141 PolarHBondContact O-N 3.41Å
140E31.3Very low37.3Very low192 Ų192137.1 Ų137.190%0.89772%0.72SS**  trans-51.6123.7157.5-81.7180158.500107.8
141W35.7Very low35.8Very low235 Ų235136.4 Ų136.489%0.8972%0.718SS**  trans-44.8134.9170.8-88.184.7000110.1E139 S143E139-W141 PolarHBondContact O-N 3.41Å; W141-S143 PolarHBondContact O-N 3.02Å
142P35.5Very low34.7Very low111 Ų111137 Ų13772%0.72172%0.722SS**  trans-63.1105.5-174.222.7-30.7000110.2
143S30.1Very low33.9Very low91 Ų91134.7 Ų134.764%0.63671%0.707SS**  trans-66.3143.9162.573.40000108.7W141 R145W141-S143 PolarHBondContact O-N 3.02Å; S143-R145 PolarHBondContact O-N 2.95Å
144H29.2Very low33.3Very low199 Ų199133.7 Ų133.792%0.92170%0.703SS**THydrogen-bonded Turntrans-63.223.5-167.2-79.9-83.2000117.1
145R33.8Very low32.7Very low246 Ų246136 Ų13693%0.92871%0.707SS**THydrogen-bonded Turntrans-133.38.3178.1-74.4-164.9-170.8-144.14116.9S143S143-R145 PolarHBondContact O-N 2.95Å
146A30.5Very low32.4Very low81 Ų81137 Ų13767%0.66971%0.71SS**SBendtrans-100.7124.8173.600000111.6S148A146-S148 PolarHBondContact O-N 3.21Å
147R32.7Very low32.3Very low246 Ų246138.8 Ų138.893%0.92871%0.711SS**PPolyproline II helixtrans-52.5129.4176-154.3177.5-157168.84.1110.1
148S28.4Very low31.9Very low112 Ų112135.6 Ų135.678%0.78371%0.708SS**PPolyproline II helixtrans-53.1124.4-179.3-33.80000111.5A146A146-S148 PolarHBondContact O-N 3.21Å
149P33.7Very low31.8Very low80 Ų80135.2 Ų135.252%0.51970%0.695SS.*PPolyproline II helixtrans-72143.7169.127.4-29.4000110.1E153P149-E153 HydrophobicContact CB-CB 4.39Å; P149-E153 WeakPolarHBondContact CB-OE2 3.49Å
150S27.7Very low32.3Very low55 Ų55131.5 Ų131.539%0.38569%0.685SS.*PPolyproline II helixtrans-69.1156.9-178.152.40000112.3S152 E153S150-S152 PolarHBondContact O-N 2.94Å; S150-S152 PolarHBondContact OG-OG 3.1Å; S150-E153 PolarHBondContact O-N 3.18Å
151P33.5Very low33.5Very low105 Ų105129.7 Ų129.768%0.68268%0.677SS**Hα-helixtrans-53.6-31.3-179.9-23.932.2000113.9E153 R154 E155P151-E153 VanDerWaalsContact C-N 3.29Å; P151-E153 PolarHBondContact O-N 3.41Å; P151-R154 PolarHBondContact O-N 2.98Å; P151-E155 PolarHBondContact O-N 3.2Å
152S31.8Very low35.3Very low71 Ų71119.4 Ų119.450%0.49764%0.639SS.*Hα-helixtrans-65.7-23177.356.10000114.8S150 T156S150-S152 PolarHBondContact O-N 2.94Å; S150-S152 PolarHBondContact OG-OG 3.1Å; S152-T156 PolarHBondContact O-N 3.48Å; S152-T156 PolarHBondContact O-OG1 3.22Å
153E29.5Very low37.7Very low95 Ų95117.5 Ų117.544%0.44462%0.619SS.*Hα-helixtrans-83.8-26.5177.6-68.9-168.5156.200112.6P149 S150 P151 T156 K157P149-E153 HydrophobicContact CB-CB 4.39Å; P149-E153 WeakPolarHBondContact CB-OE2 3.49Å; S150-E153 PolarHBondContact O-N 3.18Å; P151-E153 VanDerWaalsContact C-N 3.29Å; P151-E153 PolarHBondContact O-N 3.41Å; E153-T156 WeakPolarHBondContact CA-OG1 3.39Å; E153-T156 PolarHBondContact O-OG1 3.47Å; E153-K157 PolarHBondContact O-N 2.69Å
154R30.6Very low40.4Very low186 Ų186113.3 Ų113.370%0.70259%0.59SS**Hα-helixtrans-70.5-39.5173-87-177.4174.1173.1-1111.7P151 A158P151-R154 PolarHBondContact O-N 2.98Å; R154-A158 WeakPolarHBondContact O-CB 3.36Å; R154-A158 PolarHBondContact O-N 3.31Å
155E30.4Very low43.2Very low153 Ų153104.2 Ų104.272%0.71555%0.548SS*.Hα-helixtrans-73.4-32.4177.6-70.2177.9170.500112.7P151P151-E155 PolarHBondContact O-N 3.2Å
156T32.3Very low45.9Very low107 Ų10794.9 Ų94.966%0.65652%0.516SS*.Hα-helixtrans-78.9-17.3178.536.90000114.8S152 E153S152-T156 PolarHBondContact O-N 3.48Å; S152-T156 PolarHBondContact O-OG1 3.22Å; E153-T156 WeakPolarHBondContact CA-OG1 3.39Å; E153-T156 PolarHBondContact O-OG1 3.47Å
157K34.2Very low48.8Very low179 Ų17991.1 Ų91.178%0.77849%0.485SS*.Hα-helixtrans-99.8-22.6175.1-75.1-177.3179.6173.70114.3E153 S159E153-K157 PolarHBondContact O-N 2.69Å; K157-S159 VanDerWaalsContact C-N 3.35Å
158A29.2Very low51.6Low88 Ų8883.5 Ų83.573%0.72746%0.459SS*.Hα-helixtrans-81.1-13.117400000113.6R154 S160R154-A158 WeakPolarHBondContact O-CB 3.36Å; R154-A158 PolarHBondContact O-N 3.31Å; A158-S160 PolarHBondContact O-N 3.28Å
159S35.4Very low54.7Low61 Ų6179.1 Ų79.143%0.42743%0.43SS..SBendtrans-80.791.4175.6-179.60000111.6K157 Q161K157-S159 VanDerWaalsContact C-N 3.35Å; S159-Q161 PolarHBondContact O-N 3.17Å
160S43.1Very low57.5Low69 Ų6975.4 Ų75.448%0.48341%0.406SS..  trans31.488.3151.857.70000116.4A158 N162A158-S160 PolarHBondContact O-N 3.28Å; S160-N162 PolarHBondContact O-N 3.3Å
161Q56.7Low60.7Low154 Ų15473.3 Ų73.372%0.7239%0.391SS*.  trans-57.1122.6155.1-69-178.5-7.500107.5S159 K163S159-Q161 PolarHBondContact O-N 3.17Å; Q161-K163 VanDerWaalsContact C-N 3.29Å; Q161-K163 WeakPolarHBondContact O-CG 3.31Å; Q161-K163 PolarHBondContact O-N 2.86Å
162N73.4Confident63.6Low18 Ų1870.3 Ų70.310%0.09637%0.372CS..  trans-65.289.2179.1-179.3-11.7000109.3Q21 S160 N164 W165Q21-N162 VanDerWaalsContact CD-OD1 3.29Å; Q21-N162 VanDerWaalsContact NE2-CG 3.33Å; Q21-N162 PolarHBondContact NE2-ND2 3.3Å; Q21-N162 PolarHBondContact NE2-OD1 3.34Å; Q21-N162 PolarHBondContact OE1-ND2 2.92Å; Q21-N162 PolarHBondContact OE1-OD1 3.25Å; S160-N162 PolarHBondContact O-N 3.3Å; N162-N164 PolarHBondContact O-N 3.12Å; N162-N164 WeakPolarHBondContact OD1-CB 3.38Å; N162-N164 PolarHBondContact OD1-N 2.77Å; N162-W165 PolarHBondContact O-N 2.92Å
163K84.9Confident66.6Low71 Ų7167.6 Ų67.631%0.30935%0.351SS..G310 helixtrans-59.5-28.1-173.8-63.3-176.6-172.2178.10112.2L127 Q161 W165 D166 A169 H170L127-K163 HydrophobicContact CD1-CB 4.39Å; L127-K163 HydrophobicContact CD1-CD 4.48Å; L127-K163 HydrophobicContact CD2-CB 4.03Å; L127-K163 HydrophobicContact CG-CB 4.05Å; L127-K163 HydrophobicContact CG-CD 4.29Å; L127-K163 VanDerWaalsContact O-CD 3.28Å; L127-K163 WeakPolarHBondContact O-CD 3.34Å; L127-K163 PolarHBondContact O-NZ 3.43Å; Q161-K163 VanDerWaalsContact C-N 3.29Å; Q161-K163 WeakPolarHBondContact O-CG 3.31Å; Q161-K163 PolarHBondContact O-N 2.86Å; K163-W165 PolarHBondContact O-N 3.42Å; K163-W165 VanDerWaalsContact O-N 3.16Å; K163-D166 WeakPolarHBondContact O-CB 3.26Å; K163-D166 PolarHBondContact O-N 2.87Å; K163-A169 HydrophobicContact CB-CB 4.17Å; K163-A169 HydrophobicContact CG-CB 4.43Å; K163-H170 PolarHBondContact O-CD2 3.25Å; K163-H170 PolarHBondContact O-NE2 2.84Å
164N87.6Confident69.7Low3 Ų363.2 Ų63.22%0.01633%0.331CS..G310 helixtrans-62.4-21-177.8-63.535.2000114.4F15 L16 A19 Q21 N128 N162 H170F15-N164 WeakPolarHBondContact O-CB 3.43Å; F15-N164 VanDerWaalsContact O-CG 3.28Å; F15-N164 PolarHBondContact O-ND2 3.24Å; F15-N164 VanDerWaalsContact O-ND2 3.12Å; L16-N164 WeakPolarHBondContact CA-O 3.5Å; A19-N164 PolarHBondContact O-ND2 2.92Å; Q21-N164 WeakPolarHBondContact CG-ND2 3.34Å; Q21-N164 PolarHBondContact NE2-ND2 3.48Å; N128-N164 PolarHBondContact ND2-OD1 3.42Å; N162-N164 PolarHBondContact O-N 3.12Å; N162-N164 WeakPolarHBondContact OD1-CB 3.38Å; N162-N164 PolarHBondContact OD1-N 2.77Å; N164-H170 VanDerWaalsContact C-NE2 3.34Å; N164-H170 WeakPolarHBondContact CA-NE2 3.46Å; N164-H170 PolarHBondContact O-CE1 3.49Å; N164-H170 PolarHBondContact O-NE2 2.95Å
165W87.8Confident72.7Confident9 Ų958.2 Ų58.23%0.03432%0.315CS..G310 helixtrans-102.2-2.6173.6-83.597.8000112.6L16 N162 K163 M270 M308 N330 K332 S351L16-W165 HydrophobicContact CD1-CD2 3.55Å; L16-W165 HydrophobicContact CD1-CE3 4.19Å; L16-W165 HydrophobicContact CD1-CG 3.86Å; L16-W165 HydrophobicContact CD1-CH2 4.33Å; L16-W165 HydrophobicContact CD1-CZ2 3.69Å; L16-W165 VanDerWaalsContact CD1-NE1 3.32Å; L16-W165 HydrophobicContact CD2-CH2 4.09Å; L16-W165 HydrophobicContact CD2-CZ2 4.15Å; L16-W165 HydrophobicContact CD2-CZ3 4.34Å; N162-W165 PolarHBondContact O-N 2.92Å; K163-W165 PolarHBondContact O-N 3.42Å; K163-W165 VanDerWaalsContact O-N 3.16Å; W165-M270 HydrophobicContact CB-CG 4.45Å; W165-M270 HydrophobicContact CE3-CG 3.62Å; W165-M270 HydrophobicContact CE3-SD 3.5Å; W165-M270 VanDerWaalsContact CE3-SD 3.5Å; W165-M270 HydrophobicContact CZ3-CG 4.31Å; W165-M270 HydrophobicContact CZ3-SD 3.8Å; W165-M270 WeakPolarHBondContact O-CB 3.36Å; W165-M270 WeakPolarHBondContact O-CG 3.38Å; W165-M308 HydrophobicContact CE3-CE 4.5Å; W165-M308 HydrophobicContact CZ3-CE 4.04Å; W165-N330 HydrophobicContact CH2-CB 4Å; W165-K332 HydrophobicContact CB-CD 4.36Å; W165-K332 VanDerWaalsContact CB-NZ 3.25Å; W165-K332 HydrophobicContact CD2-CB 4.37Å; W165-K332 HydrophobicContact CD2-CD 3.69Å; W165-K332 HydrophobicContact CD2-CG 4.38Å; W165-K332 HydrophobicContact CE3-CB 4.32Å; W165-K332 HydrophobicContact CE3-CD 3.98Å; W165-K332 HydrophobicContact CG-CD 3.88Å; W165-K332 HydrophobicContact CH2-CB 3.75Å; W165-K332 HydrophobicContact CZ2-CB 3.8Å; W165-K332 HydrophobicContact CZ2-CG 4.39Å; W165-K332 HydrophobicContact CZ3-CB 4.02Å; W165-S351 PolarHBondContact NE1-OG 2.84Å
166D90.1Very high75.8Confident50 Ų5057 Ų5727%0.26731%0.314SS..  trans-96.1101.8-175.1-173.4-15.3000109.5K163 Q168 A169 H170K163-D166 WeakPolarHBondContact O-CB 3.26Å; K163-D166 PolarHBondContact O-N 2.87Å; D166-Q168 PolarHBondContact O-N 3.28Å; D166-Q168 WeakPolarHBondContact OD1-CA 3.49Å; D166-Q168 VanDerWaalsContact OD1-CB 3.27Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.31Å; D166-Q168 PolarHBondContact OD1-N 2.79Å; D166-A169 HydrophobicContact CB-CB 3.71Å; D166-A169 WeakPolarHBondContact O-CB 3.28Å; D166-A169 PolarHBondContact O-N 3.31Å; D166-A169 VanDerWaalsContact O-N 3.09Å; D166-A169 PolarHBondContact OD1-N 2.96Å; D166-A169 VanDerWaalsContact OD1-N 3.1Å; D166-H170 PolarHBondContact O-CD2 3.25Å; D166-H170 VanDerWaalsContact O-CD2 3.23Å; D166-H170 VanDerWaalsContact O-CG 3.28Å; D166-H170 PolarHBondContact O-N 3.25Å
167D91.8Very high78.7Confident2 Ų254.2 Ų54.21%0.01129%0.293CS..Hα-helixtrans-63.2-26.1178.350.5-7.3000112.8M12 L171 L265 G269 M270 T271M12-D167 HydrophobicContact SD-CB 3.83Å; D167-L171 PolarHBondContact O-N 2.89Å; D167-L171 VanDerWaalsContact O-N 3.09Å; D167-L265 HydrophobicContact CB-CD1 4.2Å; D167-L265 WeakPolarHBondContact O-CD1 3.27Å; D167-G269 VanDerWaalsContact OD2-C 3.26Å; D167-G269 WeakPolarHBondContact OD2-CA 3.33Å; D167-M270 PolarHBondContact OD2-N 3.17Å; D167-M270 VanDerWaalsContact OD2-N 3.07Å; D167-T271 WeakPolarHBondContact OD1-CB 3.27Å; D167-T271 PolarHBondContact OD1-N 2.71Å; D167-T271 PolarHBondContact OD1-OG1 3.04Å; D167-T271 VanDerWaalsContact OD2-CB 3.25Å; D167-T271 WeakPolarHBondContact OD2-CB 3.36Å; D167-T271 PolarHBondContact OD2-N 3.4Å; D167-T271 PolarHBondContact OD2-OG1 3.19Å
168Q92.1Very high81.5Confident85 Ų8545.8 Ų45.840%0.39726%0.257SS..Hα-helixtrans-73-40.8172.3-175.15864.200111.2D166 H170 L171 S172 L265D166-Q168 PolarHBondContact O-N 3.28Å; D166-Q168 WeakPolarHBondContact OD1-CA 3.49Å; D166-Q168 VanDerWaalsContact OD1-CB 3.27Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.31Å; D166-Q168 PolarHBondContact OD1-N 2.79Å; Q168-H170 VanDerWaalsContact C-N 3.3Å; Q168-H170 PolarHBondContact O-N 3.23Å; Q168-L171 PolarHBondContact O-N 3Å; Q168-S172 PolarHBondContact NE2-OG 3.15Å; Q168-S172 WeakPolarHBondContact O-CB 3.12Å; Q168-S172 PolarHBondContact O-N 3.09Å; Q168-S172 PolarHBondContact O-OG 2.6Å; Q168-S172 VanDerWaalsContact O-OG 3.1Å; Q168-L265 HydrophobicContact CB-CD1 4.43Å
169A92Very high84.6Confident21 Ų2143.8 Ų43.817%0.17424%0.24CC..Hα-helixtrans-62.1-39.3174.300000111.6K163 D166 F173K163-A169 HydrophobicContact CB-CB 4.17Å; K163-A169 HydrophobicContact CG-CB 4.43Å; D166-A169 HydrophobicContact CB-CB 3.71Å; D166-A169 WeakPolarHBondContact O-CB 3.28Å; D166-A169 PolarHBondContact O-N 3.31Å; D166-A169 VanDerWaalsContact O-N 3.09Å; D166-A169 PolarHBondContact OD1-N 2.96Å; D166-A169 VanDerWaalsContact OD1-N 3.1Å; A169-F173 VanDerWaalsContact O-CB 3.29Å; A169-F173 WeakPolarHBondContact O-CB 3.34Å; A169-F173 PolarHBondContact O-N 3.4Å
170H94.1Very high87.3Confident1 Ų143.2 Ų43.21%0.00523%0.232CC..Hα-helixtrans-63.3-46.4175.2-58.9168.9000111.8P10 M12 F15 K163 N164 D166 Q168 F173 V174P10-H170 HydrophobicContact CB-CB 4.33Å; M12-H170 VanDerWaalsContact CE-CE1 3.48Å; M12-H170 WeakPolarHBondContact CE-CE1 3.39Å; M12-H170 PolarHBondContact SD-ND1 2.78Å; F15-H170 VanDerWaalsContact CB-CE1 3.41Å; F15-H170 WeakPolarHBondContact CB-CE1 3.25Å; F15-H170 WeakPolarHBondContact CB-NE2 3.38Å; F15-H170 HydrophobicContact CD2-CB 4.2Å; F15-H170 AromaticContact CD2-CG 3.95Å; F15-H170 HydrophobicContact CE2-CB 4.43Å; F15-H170 HydrophobicContact CG-CB 4.44Å; F15-H170 AromaticContact CG-CD2 3.8Å; F15-H170 AromaticContact CG-CG 3.89Å; F15-H170 AromaticContact CG-NE2 3.98Å; K163-H170 PolarHBondContact O-CD2 3.25Å; K163-H170 PolarHBondContact O-NE2 2.84Å; N164-H170 VanDerWaalsContact C-NE2 3.34Å; N164-H170 WeakPolarHBondContact CA-NE2 3.46Å; N164-H170 PolarHBondContact O-CE1 3.49Å; N164-H170 PolarHBondContact O-NE2 2.95Å; D166-H170 PolarHBondContact O-CD2 3.25Å; D166-H170 VanDerWaalsContact O-CD2 3.23Å; D166-H170 VanDerWaalsContact O-CG 3.28Å; D166-H170 PolarHBondContact O-N 3.25Å; Q168-H170 VanDerWaalsContact C-N 3.3Å; Q168-H170 PolarHBondContact O-N 3.23Å; H170-F173 PolarHBondContact O-N 3.37Å; H170-V174 WeakPolarHBondContact O-CG2 3.4Å; H170-V174 PolarHBondContact O-N 3.27Å
171L94.4Very high89.8Confident12 Ų1240 Ų406%0.06321%0.21CC..Hα-helixtrans-59.2-50.7176.317660.8000111.4P10 D167 Q168 F173 V174 Q175 L263 L265P10-L171 HydrophobicContact CG-CB 4.44Å; P10-L171 HydrophobicContact CG-CD1 4.38Å; D167-L171 PolarHBondContact O-N 2.89Å; D167-L171 VanDerWaalsContact O-N 3.09Å; Q168-L171 PolarHBondContact O-N 3Å; L171-F173 VanDerWaalsContact C-N 3.31Å; L171-F173 PolarHBondContact O-N 3.17Å; L171-V174 PolarHBondContact O-N 2.92Å; L171-Q175 HydrophobicContact CD1-CG 4.07Å; L171-Q175 HydrophobicContact CG-CG 4.42Å; L171-Q175 WeakPolarHBondContact O-CB 3.24Å; L171-Q175 VanDerWaalsContact O-CG 3.31Å; L171-Q175 WeakPolarHBondContact O-CG 3.06Å; L171-Q175 PolarHBondContact O-N 3.06Å; L171-L263 HydrophobicContact CD1-CD2 3.78Å; L171-L263 HydrophobicContact CD1-CG 3.59Å; L171-L265 HydrophobicContact CB-CD1 4.37Å; L171-L265 HydrophobicContact CD2-CB 4.19Å; L171-L265 HydrophobicContact CD2-CD1 4.13Å
172S93.9Very high91.5Very high42 Ų4232.7 Ų32.729%0.29418%0.176SC..Hα-helixtrans-62.9-37.7179.7-62.50000112.1Q168 N176Q168-S172 PolarHBondContact NE2-OG 3.15Å; Q168-S172 WeakPolarHBondContact O-CB 3.12Å; Q168-S172 PolarHBondContact O-N 3.09Å; Q168-S172 PolarHBondContact O-OG 2.6Å; Q168-S172 VanDerWaalsContact O-OG 3.1Å; S172-N176 WeakPolarHBondContact O-CB 3.06Å; S172-N176 PolarHBondContact O-N 3.13Å; S172-N176 VanDerWaalsContact O-N 3.1Å; S172-N176 PolarHBondContact O-ND2 3.15Å
173F94.6Very high92.3Very high14 Ų1433.2 Ų33.26%0.06118%0.177CC..Hα-helixtrans-60.6-53173178.5-92.6000110.9F15 Y123 I124 Q126 L127 A169 H170 L171 Q175 N176 H177F15-F173 AromaticContact CE1-CD1 3.67Å; F15-F173 HydrophobicContact CE1-CD1 3.67Å; F15-F173 AromaticContact CE1-CE1 4Å; F15-F173 HydrophobicContact CE1-CE1 4Å; F15-F173 HydrophobicContact CZ-CD1 4.17Å; Y123-F173 HydrophobicContact CD1-CZ 4.29Å; Y123-F173 HydrophobicContact CE1-CE1 4.49Å; Y123-F173 HydrophobicContact CE1-CZ 4.06Å; I124-F173 HydrophobicContact CB-CE1 4.47Å; I124-F173 HydrophobicContact CG2-CE1 4.14Å; Q126-F173 HydrophobicContact CB-CE2 4.05Å; Q126-F173 HydrophobicContact CB-CZ 4.26Å; L127-F173 HydrophobicContact CB-CD2 4.49Å; L127-F173 HydrophobicContact CD1-CB 3.86Å; L127-F173 HydrophobicContact CD1-CD2 4.09Å; L127-F173 HydrophobicContact CD1-CG 3.97Å; A169-F173 VanDerWaalsContact O-CB 3.29Å; A169-F173 WeakPolarHBondContact O-CB 3.34Å; A169-F173 PolarHBondContact O-N 3.4Å; H170-F173 PolarHBondContact O-N 3.37Å; L171-F173 VanDerWaalsContact C-N 3.31Å; L171-F173 PolarHBondContact O-N 3.17Å; F173-Q175 VanDerWaalsContact C-N 3.35Å; F173-Q175 PolarHBondContact O-N 3.34Å; F173-N176 PolarHBondContact O-N 3.43Å; F173-H177 AromaticContact CD2-CD2 3.51Å; F173-H177 AromaticContact CD2-NE2 3.85Å; F173-H177 HydrophobicContact CE1-CB 4.45Å; F173-H177 AromaticContact CE2-CD2 3.51Å; F173-H177 AromaticContact CE2-NE2 3.68Å; F173-H177 HydrophobicContact CZ-CB 4.44Å; F173-H177 WeakPolarHBondContact O-CB 3.22Å; F173-H177 PolarHBondContact O-CD2 3.21Å; F173-H177 PolarHBondContact O-N 3.35Å
174V95.3Very high92.6Very high2 Ų230 Ų301%0.01216%0.164CC..Hα-helixtrans-61.8-43.2-179.3176.30000111.2P10 F15 H170 L171 N176 H177 L178 L215 L263P10-V174 HydrophobicContact CB-CG2 4.09Å; P10-V174 HydrophobicContact CG-CB 4.27Å; P10-V174 HydrophobicContact CG-CG2 4Å; F15-V174 HydrophobicContact CE2-CG2 4.37Å; F15-V174 HydrophobicContact CZ-CG2 3.78Å; H170-V174 WeakPolarHBondContact O-CG2 3.4Å; H170-V174 PolarHBondContact O-N 3.27Å; L171-V174 PolarHBondContact O-N 2.92Å; V174-N176 VanDerWaalsContact C-N 3.33Å; V174-N176 PolarHBondContact O-N 3.29Å; V174-H177 PolarHBondContact O-N 3.47Å; V174-L178 HydrophobicContact CG1-CD1 4.41Å; V174-L178 WeakPolarHBondContact O-CA 3.38Å; V174-L178 VanDerWaalsContact O-CB 3.23Å; V174-L178 WeakPolarHBondContact O-CB 3.5Å; V174-L178 PolarHBondContact O-N 2.74Å; V174-L215 HydrophobicContact CG1-CD2 4.12Å; V174-L263 HydrophobicContact CB-CD2 4.26Å; V174-L263 HydrophobicContact CG1-CD2 3.78Å
175Q94.1Very high92.8Very high81 Ų8130.1 Ų30.138%0.37916%0.164SC..Hα-helixtrans-56.6-45.5177.4-76.1174.3-27.800112.6L171 F173 L263L171-Q175 HydrophobicContact CD1-CG 4.07Å; L171-Q175 HydrophobicContact CG-CG 4.42Å; L171-Q175 WeakPolarHBondContact O-CB 3.24Å; L171-Q175 VanDerWaalsContact O-CG 3.31Å; L171-Q175 WeakPolarHBondContact O-CG 3.06Å; L171-Q175 PolarHBondContact O-N 3.06Å; F173-Q175 VanDerWaalsContact C-N 3.35Å; F173-Q175 PolarHBondContact O-N 3.34Å; Q175-L263 HydrophobicContact CG-CD2 3.57Å
176N93.8Very high92.9Very high129 Ų12929.9 Ų29.969%0.6916%0.164SC*.Hα-helixtrans-74.8-28.1-177.4-69.1-26.7000113S172 F173 V174S172-N176 WeakPolarHBondContact O-CB 3.06Å; S172-N176 PolarHBondContact O-N 3.13Å; S172-N176 VanDerWaalsContact O-N 3.1Å; S172-N176 PolarHBondContact O-ND2 3.15Å; F173-N176 PolarHBondContact O-N 3.43Å; V174-N176 VanDerWaalsContact C-N 3.33Å; V174-N176 PolarHBondContact O-N 3.29Å
177H93.7Very high92.6Very high48 Ų4831.9 Ų31.922%0.22217%0.171CC..Hα-helixtrans-108.83.7-173.6-69.2-86.3000113.8Y123 F173 V174 A179 D180 I181Y123-H177 HydrophobicContact CE1-CB 3.83Å; Y123-H177 AromaticContact CE1-ND1 3.96Å; Y123-H177 AromaticContact CZ-ND1 3.73Å; Y123-H177 PolarHBondContact OH-ND1 3.01Å; F173-H177 AromaticContact CD2-CD2 3.51Å; F173-H177 AromaticContact CD2-NE2 3.85Å; F173-H177 HydrophobicContact CE1-CB 4.45Å; F173-H177 AromaticContact CE2-CD2 3.51Å; F173-H177 AromaticContact CE2-NE2 3.68Å; F173-H177 HydrophobicContact CZ-CB 4.44Å; F173-H177 WeakPolarHBondContact O-CB 3.22Å; F173-H177 PolarHBondContact O-CD2 3.21Å; F173-H177 PolarHBondContact O-N 3.35Å; V174-H177 PolarHBondContact O-N 3.47Å; H177-A179 VanDerWaalsContact C-N 3.31Å; H177-A179 PolarHBondContact O-N 3.03Å; H177-D180 IonicContact ND1-OD2 3.96Å; H177-D180 PolarHBondContact O-N 2.89Å; H177-I181 HydrophobicContact CB-CD1 4.25Å; H177-I181 WeakPolarHBondContact O-CB 3.46Å; H177-I181 VanDerWaalsContact O-CG1 3.32Å; H177-I181 WeakPolarHBondContact O-CG1 3.32Å; H177-I181 PolarHBondContact O-N 3.45Å
178L94.3Very high91.9Very high2 Ų233.3 Ų33.31%0.0118%0.181CC..Hα-helixtrans-60.3-39.5-174.2-173.458000112.8V174 I181 L182 L256 L259 Q260V174-L178 HydrophobicContact CG1-CD1 4.41Å; V174-L178 WeakPolarHBondContact O-CA 3.38Å; V174-L178 VanDerWaalsContact O-CB 3.23Å; V174-L178 WeakPolarHBondContact O-CB 3.5Å; V174-L178 PolarHBondContact O-N 2.74Å; L178-I181 PolarHBondContact O-N 3.01Å; L178-L182 HydrophobicContact CD1-CG 4.36Å; L178-L182 HydrophobicContact CG-CD1 4.41Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 3.45Å; L178-L256 HydrophobicContact CB-CD1 4.1Å; L178-L256 HydrophobicContact CD2-CD1 3.86Å; L178-L256 HydrophobicContact CG-CD1 3.7Å; L178-L259 HydrophobicContact CD1-CD1 4.1Å; L178-L259 HydrophobicContact CD2-CB 3.7Å; L178-Q260 HydrophobicContact CD2-CG 3.68Å
179A92.8Very high90.9Very high45 Ų4532.5 Ų32.537%0.37220%0.196SC..Hα-helixtrans-61.9-47.1177.300000111.4H177 I181 L182 E183 L256H177-A179 VanDerWaalsContact C-N 3.31Å; H177-A179 PolarHBondContact O-N 3.03Å; A179-I181 PolarHBondContact O-N 3.41Å; A179-L182 PolarHBondContact O-N 3.48Å; A179-E183 WeakPolarHBondContact O-CB 3.39Å; A179-E183 PolarHBondContact O-N 2.95Å; A179-L256 HydrophobicContact CB-CD1 4.32Å; A179-L256 HydrophobicContact CB-CD2 4.17Å
180D93Very high90.2Very high49 Ų4933.6 Ų33.626%0.26220%0.197SC..Hα-helixtrans-63.2-41.3177.4-68.4-7000112.1L30 Y123 H177 E183 L184L30-D180 HydrophobicContact CD1-CB 4.12Å; L30-D180 HydrophobicContact CD2-CB 3.76Å; L30-D180 WeakPolarHBondContact CD2-OD1 3.45Å; L30-D180 WeakPolarHBondContact CD2-OD2 3.18Å; Y123-D180 HydrophobicContact CE2-CB 4.13Å; Y123-D180 WeakPolarHBondContact OH-CB 3.48Å; Y123-D180 PolarHBondContact OH-OD2 3.38Å; H177-D180 IonicContact ND1-OD2 3.96Å; H177-D180 PolarHBondContact O-N 2.89Å; D180-E183 PolarHBondContact O-N 3.22Å; D180-L184 WeakPolarHBondContact O-CG 3.26Å; D180-L184 PolarHBondContact O-N 3.19Å
181I94.6Very high89.3Confident3 Ų334.9 Ų34.92%0.01520%0.204CC..Hα-helixtrans-60.8-47.1176.8-74.9167.3000110.3L120 Y123 H177 L178 A179 E183 L184 L211 L214L120-I181 HydrophobicContact CD2-CG2 3.79Å; Y123-I181 HydrophobicContact CD1-CD1 4.47Å; Y123-I181 HydrophobicContact CD1-CG1 3.86Å; Y123-I181 HydrophobicContact CE1-CD1 4.35Å; Y123-I181 HydrophobicContact CE1-CG1 3.8Å; H177-I181 HydrophobicContact CB-CD1 4.25Å; H177-I181 WeakPolarHBondContact O-CB 3.46Å; H177-I181 VanDerWaalsContact O-CG1 3.32Å; H177-I181 WeakPolarHBondContact O-CG1 3.32Å; H177-I181 PolarHBondContact O-N 3.45Å; L178-I181 PolarHBondContact O-N 3.01Å; A179-I181 PolarHBondContact O-N 3.41Å; I181-E183 VanDerWaalsContact C-N 3.34Å; I181-L184 PolarHBondContact O-N 2.95Å; I181-L211 HydrophobicContact CG2-CD2 3.65Å; I181-L214 HydrophobicContact CD1-CD1 4.27Å
182L93.5Very high88.3Confident0 Ų036.2 Ų36.20%021%0.214CC..Hα-helixtrans-67.8-35.7177.5-68.8-179.2000111.8L178 A179 L184 L185 V186 I203 L211 L252 L255 L256 L259L178-L182 HydrophobicContact CD1-CG 4.36Å; L178-L182 HydrophobicContact CG-CD1 4.41Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 3.45Å; A179-L182 PolarHBondContact O-N 3.48Å; L182-L184 VanDerWaalsContact C-N 3.29Å; L182-L184 PolarHBondContact O-N 3.43Å; L182-L185 WeakPolarHBondContact O-CB 3.26Å; L182-L185 PolarHBondContact O-N 3.35Å; L182-V186 PolarHBondContact O-N 2.95Å; L182-I203 HydrophobicContact CB-CD1 3.97Å; L182-I203 HydrophobicContact CD2-CD1 4.1Å; L182-L211 HydrophobicContact CD2-CD1 3.73Å; L182-L211 HydrophobicContact CD2-CD2 4.41Å; L182-L252 HydrophobicContact CB-CD1 3.71Å; L182-L252 HydrophobicContact CD1-CD1 4.39Å; L182-L255 HydrophobicContact CD1-CG 4.38Å; L182-L255 HydrophobicContact CD2-CD2 3.98Å; L182-L255 HydrophobicContact CD2-CG 4.43Å; L182-L256 HydrophobicContact CD1-CB 3.77Å; L182-L256 HydrophobicContact CD1-CD1 3.93Å; L182-L256 HydrophobicContact CD1-CG 4.45Å; L182-L259 HydrophobicContact CD1-CD1 4.29Å; L182-L259 HydrophobicContact CD2-CD1 4.08Å
183E91Very high86.8Confident28 Ų2844.3 Ų44.313%0.13125%0.247CC..Hα-helixtrans-65-32.3177.5-168.4169.8174.700112.5R34 A179 D180 I181 L185 V186 L191 G195 Q196 A197R34-E183 IonicContact CZ-OE1 3.08Å; R34-E183 IonicContact CZ-OE2 3.45Å; R34-E183 IonicContact NE-OE1 4Å; R34-E183 VanDerWaalsContact NH1-CD 3.33Å; R34-E183 IonicContact NH1-OE1 2.71Å; R34-E183 PolarHBondContact NH1-OE1 3.39Å; R34-E183 IonicContact NH1-OE2 3.69Å; R34-E183 IonicContact NH2-OE1 3.15Å; R34-E183 PolarHBondContact NH2-OE1 3.41Å; R34-E183 VanDerWaalsContact NH2-OE1 3.15Å; R34-E183 IonicContact NH2-OE2 2.66Å; R34-E183 PolarHBondContact NH2-OE2 3.34Å; A179-E183 WeakPolarHBondContact O-CB 3.39Å; A179-E183 PolarHBondContact O-N 2.95Å; D180-E183 PolarHBondContact O-N 3.22Å; I181-E183 VanDerWaalsContact C-N 3.34Å; E183-L185 PolarHBondContact O-N 2.72Å; E183-V186 PolarHBondContact O-N 3.05Å; E183-L191 HydrophobicContact CG-CD2 4.46Å; E183-G195 VanDerWaalsContact OE1-O 3.05Å; E183-Q196 WeakPolarHBondContact OE1-CA 3.2Å; E183-A197 HydrophobicContact CG-CB 4.31Å; E183-A197 PolarHBondContact OE1-N 2.72Å
184L90.4Very high85.1Confident4 Ų448.1 Ų48.12%0.02128%0.275CS..THydrogen-bonded Turntrans-64.5-20.2171.6-75.4173.3000113.7L30 L33 R34 Y123 D180 I181 L182L30-L184 HydrophobicContact CD1-CD1 4.05Å; L30-L184 HydrophobicContact CD1-CD2 3.78Å; L30-L184 HydrophobicContact CD1-CG 3.69Å; L33-L184 HydrophobicContact CB-CD2 3.89Å; R34-L184 HydrophobicContact CG-CD2 3.85Å; Y123-L184 HydrophobicContact CD2-CD1 3.59Å; Y123-L184 HydrophobicContact CE2-CD1 4.3Å; Y123-L184 HydrophobicContact CG-CD1 3.87Å; D180-L184 WeakPolarHBondContact O-CG 3.26Å; D180-L184 PolarHBondContact O-N 3.19Å; I181-L184 PolarHBondContact O-N 2.95Å; L182-L184 VanDerWaalsContact C-N 3.29Å; L182-L184 PolarHBondContact O-N 3.43Å
185L91.3Very high83.5Confident6 Ų648.9 Ų48.93%0.03128%0.284CS..THydrogen-bonded Turntrans-95.2-5-179.7-59.4-178000113.2L116 L120 L182 E183 I203 A207 S210 L211L116-L185 HydrophobicContact CB-CD2 4.15Å; L116-L185 HydrophobicContact CD1-CD2 4.42Å; L116-L185 HydrophobicContact CD2-CD2 4.27Å; L120-L185 HydrophobicContact CD1-CD2 4.41Å; L120-L185 HydrophobicContact CD2-CD2 4.35Å; L120-L185 HydrophobicContact CG-CD2 4.42Å; L182-L185 WeakPolarHBondContact O-CB 3.26Å; L182-L185 PolarHBondContact O-N 3.35Å; E183-L185 PolarHBondContact O-N 2.72Å; L185-I203 HydrophobicContact CB-CG2 4.14Å; L185-A207 HydrophobicContact CB-CB 4.2Å; L185-S210 WeakPolarHBondContact CD2-OG 3.38Å; L185-L211 HydrophobicContact CD1-CD1 4.08Å; L185-L211 HydrophobicContact CD1-CD2 3.49Å; L185-L211 VanDerWaalsContact CD1-CD2 3.49Å; L185-L211 HydrophobicContact CD1-CG 3.52Å
186V89.2Confident82.4Confident4 Ų451.1 Ų51.12%0.02429%0.294CS..SBendtrans-74.7137.8176.8176.80000109.7L182 E183 Q190 L191 I203 L252L182-V186 PolarHBondContact O-N 2.95Å; E183-V186 PolarHBondContact O-N 3.05Å; V186-Q190 HydrophobicContact CG1-CB 3.83Å; V186-L191 HydrophobicContact CB-CD2 4.25Å; V186-L191 HydrophobicContact CG1-CD2 4Å; V186-L191 HydrophobicContact CG1-CG 4.39Å; V186-I203 HydrophobicContact CG2-CD1 4.37Å; V186-I203 HydrophobicContact CG2-CG1 3.98Å; V186-L252 HydrophobicContact CG2-CD1 4.22Å; V186-L252 HydrophobicContact CG2-CD2 4.23Å
187E83.8Confident81.3Confident91 Ų9146.4 Ų46.443%0.42527%0.273SS..  trans-63.9139.8177.9-69.1175174.300111.9G189 Q190E187-G189 VanDerWaalsContact C-N 3.25Å; E187-G189 PolarHBondContact O-N 3.32Å; E187-G189 VanDerWaalsContact O-N 3.1Å; E187-Q190 HydrophobicContact CB-CG 4.37Å; E187-Q190 WeakPolarHBondContact O-CB 3.44Å; E187-Q190 PolarHBondContact O-N 3.37Å; E187-Q190 PolarHBondContact OE2-NE2 3.01Å
188P77.7Confident80.5Confident33 Ų3349.5 Ų49.521%0.21429%0.286CS..G310 helixtrans-51.9-36.9-176.8-31.735.3000115V38 Q41 Q190 L191V38-P188 HydrophobicContact CB-CB 4.46Å; V38-P188 HydrophobicContact CB-CG 4.45Å; V38-P188 HydrophobicContact CG1-CB 4.29Å; V38-P188 HydrophobicContact CG2-CB 4.01Å; V38-P188 HydrophobicContact CG2-CG 4.14Å; Q41-P188 HydrophobicContact CB-CG 4.11Å; P188-Q190 PolarHBondContact O-N 3.14Å; P188-L191 PolarHBondContact O-N 3.37Å
189G71.4Confident79.2Confident68 Ų6860.7 Ų60.770%0.70133%0.328SS*.G310 helixtrans-65.8-17.9179.900000114.2E187E187-G189 VanDerWaalsContact C-N 3.25Å; E187-G189 PolarHBondContact O-N 3.32Å; E187-G189 VanDerWaalsContact O-N 3.1Å
190Q77.6Confident78.5Confident44 Ų4465 Ų6521%0.20635%0.345CS..G310 helixtrans-96.5-5.5-178.4-53-175.128.100113V186 E187 P188 K198 S201 Q202V186-Q190 HydrophobicContact CG1-CB 3.83Å; E187-Q190 HydrophobicContact CB-CG 4.37Å; E187-Q190 WeakPolarHBondContact O-CB 3.44Å; E187-Q190 PolarHBondContact O-N 3.37Å; E187-Q190 PolarHBondContact OE2-NE2 3.01Å; P188-Q190 PolarHBondContact O-N 3.14Å; Q190-K198 WeakPolarHBondContact O-CD 3.49Å; Q190-K198 VanDerWaalsContact O-CG 3.24Å; Q190-K198 WeakPolarHBondContact O-CG 3.43Å; Q190-K198 PolarHBondContact O-N 3.35Å; Q190-S201 PolarHBondContact O-OG 3.13Å; Q190-S201 VanDerWaalsContact OE1-CA 3.32Å; Q190-Q202 PolarHBondContact NE2-O 3.21Å; Q190-Q202 PolarHBondContact OE1-O 3.01Å
191L76Confident78.2Confident27 Ų2762.7 Ų62.714%0.14133%0.333CS..BIsolated β-bridgetrans-83.7147.6175.3-60.8173.5000110.5E183 V186 P188 A197E183-L191 HydrophobicContact CG-CD2 4.46Å; V186-L191 HydrophobicContact CB-CD2 4.25Å; V186-L191 HydrophobicContact CG1-CD2 4Å; V186-L191 HydrophobicContact CG1-CG 4.39Å; P188-L191 PolarHBondContact O-N 3.37Å; L191-A197 HydrophobicContact CD2-CB 4.34Å
192S72.6Confident78.1Confident40 Ų4065.2 Ų65.228%0.2835%0.345SS..  trans-72.8167.9170.356.60000111.4S194 G195 Q196S192-S194 PolarHBondContact O-N 3.46Å; S192-S194 PolarHBondContact OG-OG 3.41Å; S192-S194 VanDerWaalsContact OG-OG 3.06Å; S192-G195 WeakPolarHBondContact O-CA 3.41Å; S192-G195 PolarHBondContact O-N 3.28Å; S192-Q196 WeakPolarHBondContact CB-O 3.49Å; S192-Q196 PolarHBondContact N-O 2.87Å; S192-Q196 WeakPolarHBondContact OG-CA 3.28Å; S192-Q196 WeakPolarHBondContact OG-CB 3.49Å; S192-Q196 PolarHBondContact OG-N 3.17Å; S192-Q196 PolarHBondContact OG-O 3.18Å
193Q62Low77.9Confident213 Ų21365.2 Ų65.2100%0.99535%0.345SS*.THydrogen-bonded Turntrans-59.7-25.2175-68.7-177.8-1.300113G195Q193-G195 VanDerWaalsContact C-N 3.3Å
194S60.1Low78Confident93 Ų9365.3 Ų65.365%0.6535%0.349SS*.THydrogen-bonded Turntrans-850.7173.257.60000113.6S192S192-S194 PolarHBondContact O-N 3.46Å; S192-S194 PolarHBondContact OG-OG 3.41Å; S192-S194 VanDerWaalsContact OG-OG 3.06Å
195G60.4Low78.1Confident19 Ų1965.7 Ų65.720%0.19635%0.35CS..SBendtrans80.510176.900000114.9R34 E183 S192 Q193R34-G195 PolarHBondContact NH1-O 3.36Å; E183-G195 VanDerWaalsContact OE1-O 3.05Å; S192-G195 WeakPolarHBondContact O-CA 3.41Å; S192-G195 PolarHBondContact O-N 3.28Å; Q193-G195 VanDerWaalsContact C-N 3.3Å
196Q70.3Confident78.1Confident127 Ų12770.3 Ų70.359%0.59337%0.372SS*.PPolyproline II helixtrans-85.3138.7174.1-65.6-177-34.600111.2E183 S192E183-Q196 WeakPolarHBondContact OE1-CA 3.2Å; S192-Q196 WeakPolarHBondContact CB-O 3.49Å; S192-Q196 PolarHBondContact N-O 2.87Å; S192-Q196 WeakPolarHBondContact OG-CA 3.28Å; S192-Q196 WeakPolarHBondContact OG-CB 3.49Å; S192-Q196 PolarHBondContact OG-N 3.17Å; S192-Q196 PolarHBondContact OG-O 3.18Å
197A71.9Confident78.2Confident30 Ų3070.3 Ų70.325%0.24837%0.372CS..BIsolated β-bridgetrans-58.1134.6170.500000111.8E183 L191 L252E183-A197 HydrophobicContact CG-CB 4.31Å; E183-A197 PolarHBondContact OE1-N 2.72Å; L191-A197 HydrophobicContact CD2-CB 4.34Å; A197-L252 HydrophobicContact CB-CD2 3.51Å
198K76.1Confident78.7Confident114 Ų11466 Ų6650%0.49635%0.352SS..PPolyproline II helixtrans-68.1155.3172.9-69170.2-173169.30109.3Q190 D200 S201Q190-K198 WeakPolarHBondContact O-CD 3.49Å; Q190-K198 VanDerWaalsContact O-CG 3.24Å; Q190-K198 WeakPolarHBondContact O-CG 3.43Å; Q190-K198 PolarHBondContact O-N 3.35Å; K198-D200 PolarHBondContact O-N 2.96Å; K198-D200 VanDerWaalsContact O-N 3.08Å; K198-S201 PolarHBondContact N-OG 3.26Å; K198-S201 VanDerWaalsContact O-CB 3.31Å; K198-S201 WeakPolarHBondContact O-CB 3.32Å; K198-S201 PolarHBondContact O-N 3.36Å; K198-S201 PolarHBondContact O-OG 2.87Å; K198-S201 VanDerWaalsContact O-OG 3.05Å
199R68.4Low79.5Confident236 Ų23668.8 Ų68.889%0.89136%0.358SS*.THydrogen-bonded Turntrans-55.1-30.9-179.2-84.4-173177.5174.8-0.2113.6
200D77.1Confident80.6Confident136 Ų13665.6 Ų65.673%0.72733%0.326SS*.THydrogen-bonded Turntrans-98.211.1-178-56.9-40.5000113.9K198 Q202K198-D200 PolarHBondContact O-N 2.96Å; K198-D200 VanDerWaalsContact O-N 3.08Å; D200-Q202 PolarHBondContact O-N 2.88Å; D200-Q202 PolarHBondContact O-NE2 3.38Å; D200-Q202 VanDerWaalsContact O-NE2 3.08Å
201S87.4Confident81.4Confident1 Ų163.5 Ų63.51%0.00732%0.316CS..  trans-55.5137.6-179.3-72.90000112.1Q190 K198 L252Q190-S201 PolarHBondContact O-OG 3.13Å; Q190-S201 VanDerWaalsContact OE1-CA 3.32Å; K198-S201 PolarHBondContact N-OG 3.26Å; K198-S201 VanDerWaalsContact O-CB 3.31Å; K198-S201 WeakPolarHBondContact O-CB 3.32Å; K198-S201 PolarHBondContact O-N 3.36Å; K198-S201 PolarHBondContact O-OG 2.87Å; K198-S201 VanDerWaalsContact O-OG 3.05Å; S201-L252 VanDerWaalsContact O-CB 3.25Å; S201-L252 WeakPolarHBondContact O-CB 3.25Å; S201-L252 PolarHBondContact O-N 3.48Å
202Q90.9Very high82.2Confident55 Ų5563.1 Ų63.126%0.25732%0.318SS..EExtended strand (participates in β ladder)trans-117.2145179.4-56.5-64.8-53.900109.4Q190 D200 F250 P251Q190-Q202 PolarHBondContact NE2-O 3.21Å; Q190-Q202 PolarHBondContact OE1-O 3.01Å; D200-Q202 PolarHBondContact O-N 2.88Å; D200-Q202 PolarHBondContact O-NE2 3.38Å; D200-Q202 VanDerWaalsContact O-NE2 3.08Å; Q202-F250 CarbonylContact C-O 3.52Å; Q202-F250 VanDerWaalsContact CA-O 3.27Å; Q202-F250 WeakPolarHBondContact CA-O 3.44Å; Q202-F250 PolarHBondContact OE1-O 2.91Å; Q202-P251 VanDerWaalsContact OE1-CA 3.29Å
203I91.1Very high83.3Confident0 Ų061.9 Ų61.90%031%0.308CS..EExtended strand (participates in β ladder)trans-109.5129.2172.4-60.4171.6000108L182 L185 V186 A207 V208 S249 F250 L252 L255L182-I203 HydrophobicContact CB-CD1 3.97Å; L182-I203 HydrophobicContact CD2-CD1 4.1Å; L185-I203 HydrophobicContact CB-CG2 4.14Å; V186-I203 HydrophobicContact CG2-CD1 4.37Å; V186-I203 HydrophobicContact CG2-CG1 3.98Å; I203-A207 HydrophobicContact CG2-CB 3.75Å; I203-V208 HydrophobicContact CB-CG2 4.42Å; I203-V208 HydrophobicContact CG2-CG2 3.69Å; I203-S249 CarbonylContact O-C 3.52Å; I203-S249 VanDerWaalsContact O-CA 3.25Å; I203-S249 WeakPolarHBondContact O-CA 3.49Å; I203-S249 WeakPolarHBondContact O-CB 3.38Å; I203-F250 PolarHBondContact N-O 3.39Å; I203-F250 PolarHBondContact O-N 3.04Å; I203-L252 HydrophobicContact CD1-CD1 3.46Å; I203-L252 VanDerWaalsContact CD1-CD1 3.46Å; I203-L252 HydrophobicContact CG1-CD1 4.22Å; I203-L255 HydrophobicContact CD1-CD2 3.96Å
204S92.8Very high84.8Confident31 Ų3151.8 Ų51.822%0.21726%0.261CS..EExtended strand (participates in β ladder)trans-69.6154.5178.1700000111.7E206 A207 V208S204-E206 PolarHBondContact O-N 3.5Å; S204-A207 PolarHBondContact O-N 2.91Å; S204-A207 WeakPolarHBondContact OG-CB 3.36Å; S204-A207 PolarHBondContact OG-N 2.72Å; S204-V208 PolarHBondContact O-N 3.16Å
205L92.6Very high86.5Confident11 Ų1147.6 Ų47.66%0.05823%0.231CC..Hα-helixtrans-58.4-34.2175.3178.962.7000112.4V208 R209 H229 I233 R248 F250L205-V208 PolarHBondContact O-N 3.03Å; L205-R209 WeakPolarHBondContact O-CG 3.24Å; L205-R209 PolarHBondContact O-N 2.8Å; L205-R209 VanDerWaalsContact O-N 3.13Å; L205-H229 HydrophobicContact CD1-CB 4.27Å; L205-I233 HydrophobicContact CD1-CG2 3.51Å; L205-I233 HydrophobicContact CD2-CG2 4.42Å; L205-R248 WeakPolarHBondContact CB-O 3.45Å; L205-R248 PolarHBondContact N-O 3.1Å; L205-F250 HydrophobicContact CB-CE2 4.38Å; L205-F250 HydrophobicContact CD1-CE2 3.85Å; L205-F250 HydrophobicContact CD1-CZ 4.1Å
206E91Very high88.1Confident104 Ų10447.8 Ų47.849%0.48623%0.227SC..Hα-helixtrans-65.1-44.8177.3-157.661.5-132.800111S204 V208 R209S204-E206 PolarHBondContact O-N 3.5Å; E206-V208 VanDerWaalsContact C-N 3.32Å; E206-V208 PolarHBondContact O-N 3.34Å; E206-R209 VanDerWaalsContact O-CB 3.32Å; E206-R209 WeakPolarHBondContact O-CB 3.22Å; E206-R209 PolarHBondContact O-N 3.05Å; E206-R209 VanDerWaalsContact OE1-CD 3.3Å; E206-R209 WeakPolarHBondContact OE1-CD 3.5Å; E206-R209 IonicContact OE1-CZ 3.32Å; E206-R209 IonicContact OE1-NE 3.77Å; E206-R209 IonicContact OE1-NH1 2.86Å; E206-R209 PolarHBondContact OE1-NH1 3.26Å; E206-R209 IonicContact OE2-CZ 2.9Å; E206-R209 IonicContact OE2-NE 3.87Å; E206-R209 IonicContact OE2-NH1 2.73Å; E206-R209 PolarHBondContact OE2-NH1 3.37Å
207A91.6Very high89.1Confident4 Ų441.7 Ų41.73%0.03320%0.199CC..Hα-helixtrans-63.6-38.217600000112L116 L185 I203 S204 R209 S210L116-A207 HydrophobicContact CD1-CB 3.84Å; L185-A207 HydrophobicContact CB-CB 4.2Å; I203-A207 HydrophobicContact CG2-CB 3.75Å; S204-A207 PolarHBondContact O-N 2.91Å; S204-A207 WeakPolarHBondContact OG-CB 3.36Å; S204-A207 PolarHBondContact OG-N 2.72Å; A207-R209 VanDerWaalsContact C-N 3.25Å; A207-R209 PolarHBondContact O-N 3.13Å; A207-S210 WeakPolarHBondContact O-CB 3.24Å; A207-S210 PolarHBondContact O-N 3.08Å; A207-S210 VanDerWaalsContact O-N 3.15Å; A207-S210 PolarHBondContact O-OG 2.87Å
208V93.8Very high90Very high0 Ų040.3 Ų40.30%019%0.187CC..Hα-helixtrans-63.8-26.8173.9173.70000112.8I203 S204 L205 E206 S210 L211 H229 L232 F250 L255I203-V208 HydrophobicContact CB-CG2 4.42Å; I203-V208 HydrophobicContact CG2-CG2 3.69Å; S204-V208 PolarHBondContact O-N 3.16Å; L205-V208 PolarHBondContact O-N 3.03Å; E206-V208 VanDerWaalsContact C-N 3.32Å; E206-V208 PolarHBondContact O-N 3.34Å; V208-S210 VanDerWaalsContact C-N 3.26Å; V208-S210 PolarHBondContact O-N 2.82Å; V208-L211 HydrophobicContact CG1-CD1 4.42Å; V208-L211 WeakPolarHBondContact O-CB 3.23Å; V208-L211 PolarHBondContact O-N 3.47Å; V208-H229 HydrophobicContact CG1-CB 4.09Å; V208-L232 HydrophobicContact CG1-CD1 3.57Å; V208-F250 HydrophobicContact CB-CE2 4.2Å; V208-F250 HydrophobicContact CG1-CE2 4.35Å; V208-F250 HydrophobicContact CG2-CD2 3.66Å; V208-F250 HydrophobicContact CG2-CE2 3.83Å; V208-F250 HydrophobicContact CG2-CG 4.48Å; V208-L255 HydrophobicContact CG2-CD2 3.91Å
209R94.4Very high90.5Very high91 Ų9137.5 Ų37.534%0.34318%0.18SC..Hα-helixtrans-63.2-33.8174.4-71.2172.2175.6167.65112.2L205 E206 A207 L211 G212 H229L205-R209 WeakPolarHBondContact O-CG 3.24Å; L205-R209 PolarHBondContact O-N 2.8Å; L205-R209 VanDerWaalsContact O-N 3.13Å; E206-R209 VanDerWaalsContact O-CB 3.32Å; E206-R209 WeakPolarHBondContact O-CB 3.22Å; E206-R209 PolarHBondContact O-N 3.05Å; E206-R209 VanDerWaalsContact OE1-CD 3.3Å; E206-R209 WeakPolarHBondContact OE1-CD 3.5Å; E206-R209 IonicContact OE1-CZ 3.32Å; E206-R209 IonicContact OE1-NE 3.77Å; E206-R209 IonicContact OE1-NH1 2.86Å; E206-R209 PolarHBondContact OE1-NH1 3.26Å; E206-R209 IonicContact OE2-CZ 2.9Å; E206-R209 IonicContact OE2-NE 3.87Å; E206-R209 IonicContact OE2-NH1 2.73Å; E206-R209 PolarHBondContact OE2-NH1 3.37Å; A207-R209 VanDerWaalsContact C-N 3.25Å; A207-R209 PolarHBondContact O-N 3.13Å; R209-L211 PolarHBondContact O-N 3.3Å; R209-G212 PolarHBondContact O-N 3.27Å; R209-H229 HydrophobicContact CG-CB 3.98Å
210S94.3Very high90.7Very high2 Ų226.9 Ų26.91%0.01414%0.144CC..Hα-helixtrans-62.2-28.3177.775.20000112.8L120 L185 A207 V208 G212 L213L120-S210 WeakPolarHBondContact CD1-O 3.22Å; L185-S210 WeakPolarHBondContact CD2-OG 3.38Å; A207-S210 WeakPolarHBondContact O-CB 3.24Å; A207-S210 PolarHBondContact O-N 3.08Å; A207-S210 VanDerWaalsContact O-N 3.15Å; A207-S210 PolarHBondContact O-OG 2.87Å; V208-S210 VanDerWaalsContact C-N 3.26Å; V208-S210 PolarHBondContact O-N 2.82Å; S210-G212 PolarHBondContact O-N 2.98Å; S210-G212 VanDerWaalsContact O-N 3.09Å; S210-L213 VanDerWaalsContact O-CB 3.32Å; S210-L213 WeakPolarHBondContact O-CB 3.3Å; S210-L213 PolarHBondContact O-N 3.22Å
211L95Very high90.1Very high0 Ų028.6 Ų28.60%015%0.147CC..G310 helixtrans-60.7-19.3172.1-66.3174.7000112.6L120 I181 L182 L185 V208 R209 L213 L214 L215 I228 L259L120-L211 HydrophobicContact CD1-CD2 4.2Å; I181-L211 HydrophobicContact CG2-CD2 3.65Å; L182-L211 HydrophobicContact CD2-CD1 3.73Å; L182-L211 HydrophobicContact CD2-CD2 4.41Å; L185-L211 HydrophobicContact CD1-CD1 4.08Å; L185-L211 HydrophobicContact CD1-CD2 3.49Å; L185-L211 VanDerWaalsContact CD1-CD2 3.49Å; L185-L211 HydrophobicContact CD1-CG 3.52Å; V208-L211 HydrophobicContact CG1-CD1 4.42Å; V208-L211 WeakPolarHBondContact O-CB 3.23Å; V208-L211 PolarHBondContact O-N 3.47Å; R209-L211 PolarHBondContact O-N 3.3Å; L211-L213 PolarHBondContact O-N 2.99Å; L211-L214 PolarHBondContact O-N 2.91Å; L211-L215 PolarHBondContact O-N 3.45Å; L211-I228 HydrophobicContact CB-CG2 3.81Å; L211-L259 HydrophobicContact CD1-CD1 4.36Å
212G93.5Very high88.9Confident18 Ų1829.5 Ų29.519%0.18616%0.156CC..G310 helixtrans-60.4-18.3172.200000113.9R11 R209 S210 L215R11-G212 VanDerWaalsContact CD-O 3.28Å; R11-G212 WeakPolarHBondContact CD-O 3.28Å; R11-G212 PolarHBondContact NH1-O 2.94Å; R209-G212 PolarHBondContact O-N 3.27Å; S210-G212 PolarHBondContact O-N 2.98Å; S210-G212 VanDerWaalsContact O-N 3.09Å; G212-L215 WeakPolarHBondContact CA-O 3.32Å
213L93.7Very high87.7Confident14 Ų1435.8 Ų35.87%0.07318%0.183CC..G310 helixtrans-61.9-46.1168.2179.669.5000110.8R11 P14 F77 Q117 L120 F121 S210 L211R11-L213 WeakPolarHBondContact CD-O 3.42Å; P14-L213 HydrophobicContact CG-CD1 4.38Å; P14-L213 HydrophobicContact CG-CG 4.36Å; P14-L213 WeakPolarHBondContact CG-O 3.2Å; F77-L213 HydrophobicContact CE2-CD1 4.06Å; F77-L213 HydrophobicContact CE2-CD2 3.94Å; Q117-L213 HydrophobicContact CB-CD2 4.19Å; Q117-L213 HydrophobicContact CG-CB 4.39Å; Q117-L213 WeakPolarHBondContact O-CD2 3.05Å; L120-L213 HydrophobicContact CB-CD2 4.15Å; F121-L213 HydrophobicContact CB-CD2 4.16Å; S210-L213 VanDerWaalsContact O-CB 3.32Å; S210-L213 WeakPolarHBondContact O-CB 3.3Å; S210-L213 PolarHBondContact O-N 3.22Å; L211-L213 PolarHBondContact O-N 2.99Å
214L94.9Very high87Confident2 Ų238.2 Ų38.21%0.0121%0.208CC..THydrogen-bonded Turntrans-99.5-28.3-170.5-60.7-176.2000113.8P10 R11 P14 F15 L120 I124 I181 L211P10-L214 CarbonylContact C-O 3.5Å; P10-L214 WeakPolarHBondContact CA-O 3.21Å; R11-L214 PolarHBondContact N-O 3.2Å; P14-L214 HydrophobicContact CB-CD2 4.03Å; P14-L214 HydrophobicContact CG-CD2 4.27Å; F15-L214 HydrophobicContact CZ-CD2 4.4Å; L120-L214 HydrophobicContact CB-CD1 4.12Å; L120-L214 HydrophobicContact CB-CG 4.46Å; L120-L214 HydrophobicContact CD1-CD1 4.36Å; L120-L214 HydrophobicContact CD2-CD1 4.43Å; I124-L214 HydrophobicContact CD1-CD2 4.29Å; I124-L214 HydrophobicContact CG2-CD1 3.93Å; I124-L214 HydrophobicContact CG2-CD2 3.59Å; I124-L214 HydrophobicContact CG2-CG 4.43Å; I181-L214 HydrophobicContact CD1-CD1 4.27Å; L211-L214 PolarHBondContact O-N 2.91Å
215L95.3Very high86.7Confident5 Ų539.4 Ų39.43%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-127.7139.6-169.5-64.9179.7000111.3I8 V174 L211 G212 I228 L263I8-L215 HydrophobicContact CG2-CB 4.36Å; I8-L215 HydrophobicContact CG2-CD1 4.44Å; I8-L215 HydrophobicContact CG2-CD2 4.36Å; V174-L215 HydrophobicContact CG1-CD2 4.12Å; L211-L215 PolarHBondContact O-N 3.45Å; G212-L215 WeakPolarHBondContact CA-O 3.32Å; L215-I228 HydrophobicContact CB-CB 4.38Å; L215-I228 HydrophobicContact CB-CG1 4.44Å; L215-L263 HydrophobicContact CD2-CD1 3.91Å
216E93.4Very high86.5Confident22 Ų2242.7 Ų42.710%0.10323%0.226CC..EExtended strand (participates in β ladder)trans-138.5168.9168.868.2-171.1-179.400109I8 W9 R11 I225I8-E216 WeakPolarHBondContact CA-O 3.39Å; W9-E216 HydrophobicContact CD2-CG 4.42Å; W9-E216 HydrophobicContact CZ2-CG 3.93Å; W9-E216 PolarHBondContact N-O 3.2Å; W9-E216 PolarHBondContact NE1-OE1 3.29Å; W9-E216 PolarHBondContact O-N 3.49Å; W9-E216 VanDerWaalsContact O-N 3.14Å; R11-E216 HydrophobicContact CG-CB 3.97Å; R11-E216 HydrophobicContact CG-CG 3.73Å; R11-E216 IonicContact NE-OE2 3.95Å; E216-I225 HydrophobicContact CB-CG2 4.12Å; E216-I225 HydrophobicContact CG-CG2 4.21Å
217G92.6Very high86.5Confident0 Ų040.4 Ų40.40%022%0.22CC..EExtended strand (participates in β ladder)trans-160.9179.6178.100000113.2S7 Q226 L231S7-G217 CarbonylContact O-C 3.59Å; S7-G217 WeakPolarHBondContact O-CA 3.34Å; G217-Q226 PolarHBondContact N-O 3.37Å; G217-Q226 PolarHBondContact O-N 2.77Å; G217-L231 VanDerWaalsContact C-CD1 3.47Å; G217-L231 VanDerWaalsContact CA-CD1 3.49Å
218S90.9Very high86.6Confident0 Ų040.2 Ų40.20%022%0.219CC..EExtended strand (participates in β ladder)trans-150.8152.4176.7-174.20000110.7S7 K223 G224S7-S218 PolarHBondContact N-O 3.44Å; S7-S218 PolarHBondContact O-N 2.81Å; S218-K223 PolarHBondContact OG-N 3.49Å; S218-K223 PolarHBondContact OG-O 2.97Å; S218-K223 VanDerWaalsContact OG-O 3.11Å; S218-G224 PolarHBondContact OG-O 2.88Å
219V85.8Confident86.5Confident56 Ų5641.7 Ų41.734%0.33923%0.226SC..EExtended strand (participates in β ladder)trans-90.5119.4170.6-1730000107.2V6 L231V6-V219 HydrophobicContact CG2-CB 4.45Å; V6-V219 HydrophobicContact CG2-CG1 4.25Å; V6-V219 HydrophobicContact CG2-CG2 4.06Å; V219-L231 HydrophobicContact CG2-CD2 3.69Å
220G72Confident86.3Confident13 Ų1342.2 Ų42.213%0.13423%0.231CC..SBendtrans85.7-166-174.100000113.8S5 G222S5-G220 PolarHBondContact O-N 2.65Å; G220-G222 PolarHBondContact O-N 2.87Å
221H64.9Low86.1Confident172 Ų17242.3 Ų42.380%0.79623%0.231SC*.SBendtrans-7153-174.8-62.9-65.3000114.5K223H221-K223 VanDerWaalsContact C-N 3.35Å; H221-K223 PolarHBondContact O-N 2.79Å
222G62Low85.9Confident20 Ų2042.3 Ų42.321%0.20623%0.231CC..SBendtrans73.717.1172.300000115.7G220G220-G222 PolarHBondContact O-N 2.87Å
223K65.9Low85.7Confident186 Ų18643.1 Ų43.181%0.80923%0.23SC*.  trans-91.1116.9175.1-72.1-174.7178.5179.50109.9S218 H221S218-K223 PolarHBondContact OG-N 3.49Å; S218-K223 PolarHBondContact OG-O 2.97Å; S218-K223 VanDerWaalsContact OG-O 3.11Å; H221-K223 VanDerWaalsContact C-N 3.35Å; H221-K223 PolarHBondContact O-N 2.79Å
224G77.3Confident85Confident52 Ų5249.7 Ų49.754%0.53626%0.258SS..SBendtrans79.580.7-179.200000111.5S218S218-G224 PolarHBondContact OG-O 2.88Å
225I86.9Confident84.1Confident55 Ų5552 Ų5228%0.28228%0.282SS..  trans-69.5131.8176.8-60.5168.8000108.4W9 E216 F268 P303W9-I225 HydrophobicContact CH2-CG1 4.48Å; W9-I225 HydrophobicContact CZ2-CD1 4.46Å; W9-I225 HydrophobicContact CZ2-CG1 4.23Å; W9-I225 HydrophobicContact CZ2-CG2 4.44Å; E216-I225 HydrophobicContact CB-CG2 4.12Å; E216-I225 HydrophobicContact CG-CG2 4.21Å; I225-F268 HydrophobicContact CD1-CD2 4.29Å; I225-F268 HydrophobicContact CD1-CE2 3.52Å; I225-F268 HydrophobicContact CD1-CZ 4.04Å; I225-F268 HydrophobicContact CG1-CE2 4.24Å; I225-P303 HydrophobicContact CD1-CB 3.74Å; I225-P303 HydrophobicContact CD1-CG 3.32Å
226Q88.3Confident83.4Confident81 Ų8155.1 Ų55.138%0.37930%0.303SS..EExtended strand (participates in β ladder)trans-124.3145.6179.9-61.3-169.75.700110.4G217 L231G217-Q226 PolarHBondContact N-O 3.37Å; G217-Q226 PolarHBondContact O-N 2.77Å; Q226-L231 HydrophobicContact CB-CD2 4.01Å; Q226-L231 HydrophobicContact CB-CG 4.11Å
227P90.8Very high83Confident55 Ų5554.4 Ų54.436%0.35730%0.3SS..EExtended strand (participates in β ladder)trans-55.5142.2167.6-25.134000111.4H229 K230 L231P227-H229 VanDerWaalsContact C-N 3.26Å; P227-H229 WeakPolarHBondContact CB-CE1 3.3Å; P227-H229 WeakPolarHBondContact CB-ND1 3.47Å; P227-H229 PolarHBondContact O-N 2.99Å; P227-H229 VanDerWaalsContact O-N 3.17Å; P227-K230 WeakPolarHBondContact O-CB 3.36Å; P227-K230 PolarHBondContact O-N 2.83Å; P227-L231 PolarHBondContact O-N 3.07Å
228I92.3Very high82.7Confident0 Ų057.7 Ų57.70%032%0.316CS..Hα-helixtrans-53.1-41.6-175.8-171.360000113.3I8 L211 L215 K230 L231 L232 L259I8-I228 HydrophobicContact CB-CD1 4.33Å; I8-I228 HydrophobicContact CD1-CD1 3.46Å; I8-I228 VanDerWaalsContact CD1-CD1 3.46Å; I8-I228 HydrophobicContact CG1-CD1 3.62Å; I8-I228 HydrophobicContact CG2-CD1 3.71Å; L211-I228 HydrophobicContact CB-CG2 3.81Å; L215-I228 HydrophobicContact CB-CB 4.38Å; L215-I228 HydrophobicContact CB-CG1 4.44Å; I228-K230 PolarHBondContact O-N 2.84Å; I228-L231 PolarHBondContact O-N 2.94Å; I228-L231 VanDerWaalsContact O-N 3.13Å; I228-L232 HydrophobicContact CD1-CD1 4.41Å; I228-L232 HydrophobicContact CD1-CG 4.36Å; I228-L232 HydrophobicContact CG1-CD1 3.87Å; I228-L232 HydrophobicContact CG1-CG 4.29Å; I228-L232 WeakPolarHBondContact O-CG 3.26Å; I228-L232 PolarHBondContact O-N 2.67Å; I228-L259 HydrophobicContact CD1-CD2 3.97Å; I228-L259 HydrophobicContact CG1-CD2 4.3Å
229H91.9Very high82.4Confident31 Ų3163.7 Ų63.714%0.14435%0.352CS..Hα-helixtrans-60.7-31179.870.6-93.7000112.7L205 V208 R209 P227 I233L205-H229 HydrophobicContact CD1-CB 4.27Å; V208-H229 HydrophobicContact CG1-CB 4.09Å; R209-H229 HydrophobicContact CG-CB 3.98Å; P227-H229 VanDerWaalsContact C-N 3.26Å; P227-H229 WeakPolarHBondContact CB-CE1 3.3Å; P227-H229 WeakPolarHBondContact CB-ND1 3.47Å; P227-H229 PolarHBondContact O-N 2.99Å; P227-H229 VanDerWaalsContact O-N 3.17Å; H229-I233 VanDerWaalsContact O-CG1 3.25Å; H229-I233 WeakPolarHBondContact O-CG1 3.37Å; H229-I233 WeakPolarHBondContact O-CG2 3.47Å; H229-I233 PolarHBondContact O-N 2.85Å
230K91.1Very high82.5Confident103 Ų10363.5 Ų63.545%0.44835%0.352SS..Hα-helixtrans-73.2-37.8177.8-66.2-167.7-179.6173.20111.7P227 I228 L232 I233 K234P227-K230 WeakPolarHBondContact O-CB 3.36Å; P227-K230 PolarHBondContact O-N 2.83Å; I228-K230 PolarHBondContact O-N 2.84Å; K230-L232 VanDerWaalsContact C-N 3.34Å; K230-I233 WeakPolarHBondContact O-CG1 3.49Å; K230-K234 PolarHBondContact O-N 3.06Å
231L90.1Very high83.2Confident4 Ų462.9 Ų62.92%0.02135%0.346CS..Hα-helixtrans-67.8-36176.5-62.3172.1000111.6V6 G217 V219 Q226 P227 I228 L237V6-L231 HydrophobicContact CG1-CD1 4.44Å; G217-L231 VanDerWaalsContact C-CD1 3.47Å; G217-L231 VanDerWaalsContact CA-CD1 3.49Å; V219-L231 HydrophobicContact CG2-CD2 3.69Å; Q226-L231 HydrophobicContact CB-CD2 4.01Å; Q226-L231 HydrophobicContact CB-CG 4.11Å; P227-L231 PolarHBondContact O-N 3.07Å; I228-L231 PolarHBondContact O-N 2.94Å; I228-L231 VanDerWaalsContact O-N 3.13Å; L231-L237 HydrophobicContact CB-CD1 4.41Å; L231-L237 WeakPolarHBondContact O-CB 3.35Å
232L90Very high84.3Confident0 Ų055.5 Ų55.50%032%0.316CS..Hα-helixtrans-75.2-29.6-178.9-66.7170.6000113.1V208 I228 K230 Q238 S241 F250 L255 L259V208-L232 HydrophobicContact CG1-CD1 3.57Å; I228-L232 HydrophobicContact CD1-CD1 4.41Å; I228-L232 HydrophobicContact CD1-CG 4.36Å; I228-L232 HydrophobicContact CG1-CD1 3.87Å; I228-L232 HydrophobicContact CG1-CG 4.29Å; I228-L232 WeakPolarHBondContact O-CG 3.26Å; I228-L232 PolarHBondContact O-N 2.67Å; K230-L232 VanDerWaalsContact C-N 3.34Å; L232-Q238 WeakPolarHBondContact O-CA 3.34Å; L232-S241 PolarHBondContact O-OG 3.32Å; L232-F250 HydrophobicContact CB-CE1 3.77Å; L232-F250 HydrophobicContact CB-CZ 3.97Å; L232-L255 HydrophobicContact CD1-CD1 3.69Å; L232-L255 HydrophobicContact CD2-CD1 4.01Å; L232-L255 HydrophobicContact CG-CD1 4.47Å; L232-L259 HydrophobicContact CD2-CD2 4.35Å
233I88.8Confident85.7Confident34 Ų3455.9 Ų55.917%0.17431%0.312CS..Hα-helixtrans-89.8-17.3-179.964.5-179.5000114.1L205 H229 K230 Y243 F250L205-I233 HydrophobicContact CD1-CG2 3.51Å; L205-I233 HydrophobicContact CD2-CG2 4.42Å; H229-I233 VanDerWaalsContact O-CG1 3.25Å; H229-I233 WeakPolarHBondContact O-CG1 3.37Å; H229-I233 WeakPolarHBondContact O-CG2 3.47Å; H229-I233 PolarHBondContact O-N 2.85Å; K230-I233 WeakPolarHBondContact O-CG1 3.49Å; I233-Y243 HydrophobicContact CB-CD1 4.02Å; I233-Y243 HydrophobicContact CB-CE1 3.85Å; I233-Y243 HydrophobicContact CG2-CD1 3.91Å; I233-Y243 HydrophobicContact CG2-CD2 4.15Å; I233-Y243 HydrophobicContact CG2-CE1 3.65Å; I233-Y243 HydrophobicContact CG2-CE2 3.94Å; I233-Y243 HydrophobicContact CG2-CG 4.16Å; I233-F250 HydrophobicContact CG2-CZ 3.84Å
234K79.4Confident86.8Confident152 Ų15249 Ų4966%0.66129%0.286SS*.SBendtrans-135.6141.7-174.3-77.5173.7-178.3-168.80111.1K230K230-K234 PolarHBondContact O-N 3.06Å
235G76.5Confident87.3Confident50 Ų5052.7 Ų52.752%0.51529%0.292SS..SBendtrans84.8-154.4173.300000113.4L237 Q238G235-L237 PolarHBondContact O-N 2.64Å; G235-Q238 WeakPolarHBondContact O-CB 3.41Å; G235-Q238 PolarHBondContact O-N 2.89Å
236P81.3Confident87.3Confident72 Ų7258.4 Ų58.447%0.46832%0.322SS..THydrogen-bonded Turntrans-69.9-15.5-166.729.4-37.3000114.1V6 P240V6-P236 HydrophobicContact CG2-CG 3.34Å; P236-P240 WeakPolarHBondContact O-CD 3.31Å; P236-P240 WeakPolarHBondContact O-CG 3.27Å
237L84.3Confident87.2Confident6 Ų657.8 Ų57.83%0.03133%0.326CS..THydrogen-bonded Turntrans-89.1-5.3177.6-62.9-173.2000114.5V6 I8 L231 G235 P240 S241 N262V6-L237 HydrophobicContact CB-CD1 4.03Å; V6-L237 HydrophobicContact CB-CD2 4.29Å; V6-L237 HydrophobicContact CB-CG 4.02Å; V6-L237 HydrophobicContact CG1-CD1 3.47Å; V6-L237 VanDerWaalsContact CG1-CD1 3.47Å; V6-L237 HydrophobicContact CG1-CG 3.98Å; V6-L237 HydrophobicContact CG2-CG 4.16Å; I8-L237 HydrophobicContact CD1-CD1 3.71Å; I8-L237 HydrophobicContact CG1-CD1 4.45Å; L231-L237 HydrophobicContact CB-CD1 4.41Å; L231-L237 WeakPolarHBondContact O-CB 3.35Å; G235-L237 PolarHBondContact O-N 2.64Å; L237-P240 VanDerWaalsContact C-CD 3.48Å; L237-P240 HydrophobicContact CB-CG 4.49Å; L237-P240 HydrophobicContact CD2-CG 4.24Å; L237-P240 WeakPolarHBondContact O-CD 3.2Å; L237-P240 WeakPolarHBondContact O-CG 3.21Å; L237-S241 WeakPolarHBondContact O-CB 3.49Å; L237-S241 PolarHBondContact O-N 3.24Å; L237-S241 PolarHBondContact O-OG 2.92Å; L237-N262 WeakPolarHBondContact CD2-ND2 3.31Å
238Q85.5Confident87.2Confident70 Ų7061.8 Ų61.833%0.32733%0.334SS..Hα-helixtrans-64.8-48.3-178.5-171.5-175.811.400112.2L232 G235 S241 G242 Y243L232-Q238 WeakPolarHBondContact O-CA 3.34Å; G235-Q238 WeakPolarHBondContact O-CB 3.41Å; G235-Q238 PolarHBondContact O-N 2.89Å; Q238-S241 PolarHBondContact O-OG 3.32Å; Q238-S241 VanDerWaalsContact O-OG 3.07Å; Q238-G242 PolarHBondContact O-N 3.02Å; Q238-Y243 HydrophobicContact CG-CD1 4.41Å; Q238-Y243 PolarHBondContact O-N 3.24Å
239T85.3Confident87.2Confident125 Ų12562.4 Ų62.477%0.76734%0.339SS*.Hα-helixtrans-64.9-49.9178.1-480000112.8G242T239-G242 PolarHBondContact O-N 3.22Å
240P87Confident87.3Confident52 Ų5260.9 Ų60.934%0.33833%0.332SS..Hα-helixtrans-69.9-30.8-179.927.3-36.5000113.4P236 L237 G242 C258P236-P240 WeakPolarHBondContact O-CD 3.31Å; P236-P240 WeakPolarHBondContact O-CG 3.27Å; L237-P240 VanDerWaalsContact C-CD 3.48Å; L237-P240 HydrophobicContact CB-CG 4.49Å; L237-P240 HydrophobicContact CD2-CG 4.24Å; L237-P240 WeakPolarHBondContact O-CD 3.2Å; L237-P240 WeakPolarHBondContact O-CG 3.21Å; P240-G242 PolarHBondContact O-N 3.3Å; P240-C258 HydrophobicContact CB-CB 4.44Å
241S87.8Confident87.4Confident0 Ų056.8 Ų56.80%032%0.316CS..Hα-helixtrans-70.4-20173.770.70000113.1L232 L237 Q238L232-S241 PolarHBondContact O-OG 3.32Å; L237-S241 WeakPolarHBondContact O-CB 3.49Å; L237-S241 PolarHBondContact O-N 3.24Å; L237-S241 PolarHBondContact O-OG 2.92Å; Q238-S241 PolarHBondContact O-OG 3.32Å; Q238-S241 VanDerWaalsContact O-OG 3.07Å
242G87.1Confident87.4Confident17 Ų1757.9 Ų57.918%0.17532%0.321CS..THydrogen-bonded Turntrans73.326.5-179.900000113.8Q238 T239 P240 S244 P251Q238-G242 PolarHBondContact O-N 3.02Å; T239-G242 PolarHBondContact O-N 3.22Å; P240-G242 PolarHBondContact O-N 3.3Å; G242-S244 PolarHBondContact O-N 2.74Å; G242-P251 WeakPolarHBondContact O-CD 3.19Å
243Y91.7Very high87.5Confident29 Ų2963 Ų6311%0.11435%0.345CS..  trans-59.8126.3-177.4-177.8-127.1000112.5I233 Q238 M245 F250I233-Y243 HydrophobicContact CB-CD1 4.02Å; I233-Y243 HydrophobicContact CB-CE1 3.85Å; I233-Y243 HydrophobicContact CG2-CD1 3.91Å; I233-Y243 HydrophobicContact CG2-CD2 4.15Å; I233-Y243 HydrophobicContact CG2-CE1 3.65Å; I233-Y243 HydrophobicContact CG2-CE2 3.94Å; I233-Y243 HydrophobicContact CG2-CG 4.16Å; Q238-Y243 HydrophobicContact CG-CD1 4.41Å; Q238-Y243 PolarHBondContact O-N 3.24Å; Y243-M245 HydrophobicContact CD1-SD 4.08Å; Y243-M245 HydrophobicContact CE1-CG 4.24Å; Y243-M245 HydrophobicContact CE1-SD 3.32Å; Y243-M245 WeakPolarHBondContact CE1-SD 3.28Å; Y243-F250 VanDerWaalsContact CB-CE1 3.47Å; Y243-F250 AromaticContact CD2-CD1 3.98Å; Y243-F250 HydrophobicContact CD2-CD1 3.98Å; Y243-F250 HydrophobicContact CD2-CD2 4.13Å; Y243-F250 AromaticContact CD2-CE1 3.49Å; Y243-F250 HydrophobicContact CD2-CE1 3.49Å; Y243-F250 VanDerWaalsContact CD2-CE1 3.49Å; Y243-F250 AromaticContact CD2-CE2 3.63Å; Y243-F250 HydrophobicContact CD2-CE2 3.63Å; Y243-F250 HydrophobicContact CD2-CG 4.29Å; Y243-F250 AromaticContact CD2-CZ 3.29Å; Y243-F250 HydrophobicContact CD2-CZ 3.29Å; Y243-F250 AromaticContact CE2-CE2 3.99Å; Y243-F250 HydrophobicContact CE2-CE2 3.99Å; Y243-F250 AromaticContact CE2-CZ 3.91Å; Y243-F250 HydrophobicContact CE2-CZ 3.91Å; Y243-F250 HydrophobicContact CG-CD1 4.34Å; Y243-F250 AromaticContact CG-CE1 3.73Å; Y243-F250 HydrophobicContact CG-CE1 3.73Å; Y243-F250 AromaticContact CG-CZ 3.89Å; Y243-F250 HydrophobicContact CG-CZ 3.89Å
244S90.4Very high87.7Confident40 Ų4065.9 Ų65.928%0.2836%0.356SS..BIsolated β-bridgetrans-100.8117.9173.8170.30000110.5G242 L246 S247 R248 S249G242-S244 PolarHBondContact O-N 2.74Å; S244-L246 VanDerWaalsContact C-N 3.27Å; S244-L246 PolarHBondContact O-N 2.95Å; S244-S247 WeakPolarHBondContact CB-OG 3.08Å; S244-S247 PolarHBondContact OG-N 2.91Å; S244-S247 PolarHBondContact OG-OG 3.43Å; S244-R248 VanDerWaalsContact O-CA 3.24Å; S244-R248 WeakPolarHBondContact O-CA 3.46Å; S244-R248 PolarHBondContact O-N 3.28Å; S244-S249 PolarHBondContact N-O 2.92Å; S244-S249 PolarHBondContact O-N 2.69Å
245M86.9Confident88.4Confident131 Ų13158.6 Ų58.665%0.64533%0.325SS*.THydrogen-bonded Turntrans-64.6-31.7175.8-71.4-67.3-68.900112.7Y243Y243-M245 HydrophobicContact CD1-SD 4.08Å; Y243-M245 HydrophobicContact CE1-CG 4.24Å; Y243-M245 HydrophobicContact CE1-SD 3.32Å; Y243-M245 WeakPolarHBondContact CE1-SD 3.28Å
246L86.4Confident89.2Confident174 Ų17458 Ų5891%0.91131%0.309SS*.THydrogen-bonded Turntrans-72.4-47-176.2-66.7171.7000111.7S244S244-L246 VanDerWaalsContact C-N 3.27Å; S244-L246 PolarHBondContact O-N 2.95Å
247S86Confident89.8Confident68 Ų6856.9 Ų56.948%0.47630%0.303SS..THydrogen-bonded Turntrans-91.8-7.7-179.857.60000113.3S244 S249S244-S247 WeakPolarHBondContact CB-OG 3.08Å; S244-S247 PolarHBondContact OG-N 2.91Å; S244-S247 PolarHBondContact OG-OG 3.43Å; S247-S249 WeakPolarHBondContact CB-OG 3.42Å; S247-S249 PolarHBondContact O-N 3.48Å; S247-S249 PolarHBondContact OG-OG 3.36Å
248R91.8Very high90.2Very high139 Ų13956.7 Ų56.753%0.52530%0.302SS..THydrogen-bonded Turntrans4941.9-173.3-58.8-17866.9-173-1.8111.9L205 S244L205-R248 WeakPolarHBondContact CB-O 3.45Å; L205-R248 PolarHBondContact N-O 3.1Å; S244-R248 VanDerWaalsContact O-CA 3.24Å; S244-R248 WeakPolarHBondContact O-CA 3.46Å; S244-R248 PolarHBondContact O-N 3.28Å
249S92.5Very high90.6Very high13 Ų1353.4 Ų53.49%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-139.1166.2-173.768.70000112.5I203 S244 S247I203-S249 CarbonylContact O-C 3.52Å; I203-S249 VanDerWaalsContact O-CA 3.25Å; I203-S249 WeakPolarHBondContact O-CA 3.49Å; I203-S249 WeakPolarHBondContact O-CB 3.38Å; S244-S249 PolarHBondContact N-O 2.92Å; S244-S249 PolarHBondContact O-N 2.69Å; S247-S249 WeakPolarHBondContact CB-OG 3.42Å; S247-S249 PolarHBondContact O-N 3.48Å; S247-S249 PolarHBondContact OG-OG 3.36Å
250F92.8Very high91Very high0 Ų052.3 Ų52.30%027%0.273CS..EExtended strand (participates in β ladder)trans-124.1133.2-179.5-58.1-97.8000110.2Q202 I203 L205 V208 L232 I233 Y243 L252 L255Q202-F250 CarbonylContact C-O 3.52Å; Q202-F250 VanDerWaalsContact CA-O 3.27Å; Q202-F250 WeakPolarHBondContact CA-O 3.44Å; Q202-F250 PolarHBondContact OE1-O 2.91Å; I203-F250 PolarHBondContact N-O 3.39Å; I203-F250 PolarHBondContact O-N 3.04Å; L205-F250 HydrophobicContact CB-CE2 4.38Å; L205-F250 HydrophobicContact CD1-CE2 3.85Å; L205-F250 HydrophobicContact CD1-CZ 4.1Å; V208-F250 HydrophobicContact CB-CE2 4.2Å; V208-F250 HydrophobicContact CG1-CE2 4.35Å; V208-F250 HydrophobicContact CG2-CD2 3.66Å; V208-F250 HydrophobicContact CG2-CE2 3.83Å; V208-F250 HydrophobicContact CG2-CG 4.48Å; L232-F250 HydrophobicContact CB-CE1 3.77Å; L232-F250 HydrophobicContact CB-CZ 3.97Å; I233-F250 HydrophobicContact CG2-CZ 3.84Å; Y243-F250 VanDerWaalsContact CB-CE1 3.47Å; Y243-F250 AromaticContact CD2-CD1 3.98Å; Y243-F250 HydrophobicContact CD2-CD1 3.98Å; Y243-F250 HydrophobicContact CD2-CD2 4.13Å; Y243-F250 AromaticContact CD2-CE1 3.49Å; Y243-F250 HydrophobicContact CD2-CE1 3.49Å; Y243-F250 VanDerWaalsContact CD2-CE1 3.49Å; Y243-F250 AromaticContact CD2-CE2 3.63Å; Y243-F250 HydrophobicContact CD2-CE2 3.63Å; Y243-F250 HydrophobicContact CD2-CG 4.29Å; Y243-F250 AromaticContact CD2-CZ 3.29Å; Y243-F250 HydrophobicContact CD2-CZ 3.29Å; Y243-F250 AromaticContact CE2-CE2 3.99Å; Y243-F250 HydrophobicContact CE2-CE2 3.99Å; Y243-F250 AromaticContact CE2-CZ 3.91Å; Y243-F250 HydrophobicContact CE2-CZ 3.91Å; Y243-F250 HydrophobicContact CG-CD1 4.34Å; Y243-F250 AromaticContact CG-CE1 3.73Å; Y243-F250 HydrophobicContact CG-CE1 3.73Å; Y243-F250 AromaticContact CG-CZ 3.89Å; Y243-F250 HydrophobicContact CG-CZ 3.89Å; F250-L252 PolarHBondContact O-N 2.9Å; F250-L255 HydrophobicContact CB-CB 4.22Å; F250-L255 HydrophobicContact CB-CD2 4.15Å; F250-L255 HydrophobicContact CD1-CD1 4.42Å
251P93.4Very high91.2Very high17 Ų1756.6 Ų56.611%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-63.8127.1169.4-21.232.4000110.6Q202 G242 H253 K254 L255Q202-P251 VanDerWaalsContact OE1-CA 3.29Å; G242-P251 WeakPolarHBondContact O-CD 3.19Å; P251-H253 VanDerWaalsContact C-N 3.31Å; P251-H253 PolarHBondContact O-N 3.15Å; P251-K254 HydrophobicContact CB-CB 4.27Å; P251-K254 HydrophobicContact CB-CD 4.46Å; P251-K254 HydrophobicContact CB-CG 4.18Å; P251-K254 HydrophobicContact CG-CD 4.29Å; P251-K254 PolarHBondContact O-N 3.5Å; P251-K254 VanDerWaalsContact O-N 3.11Å; P251-L255 PolarHBondContact O-N 2.86Å
252L91.6Very high91.5Very high27 Ų2758.2 Ų58.214%0.14130%0.298CS..Hα-helixtrans-52.1-47.1-173.8175.265.9000112.5L182 V186 A197 S201 I203 F250 L255 L256L182-L252 HydrophobicContact CB-CD1 3.71Å; L182-L252 HydrophobicContact CD1-CD1 4.39Å; V186-L252 HydrophobicContact CG2-CD1 4.22Å; V186-L252 HydrophobicContact CG2-CD2 4.23Å; A197-L252 HydrophobicContact CB-CD2 3.51Å; S201-L252 VanDerWaalsContact O-CB 3.25Å; S201-L252 WeakPolarHBondContact O-CB 3.25Å; S201-L252 PolarHBondContact O-N 3.48Å; I203-L252 HydrophobicContact CD1-CD1 3.46Å; I203-L252 VanDerWaalsContact CD1-CD1 3.46Å; I203-L252 HydrophobicContact CG1-CD1 4.22Å; F250-L252 PolarHBondContact O-N 2.9Å; L252-L255 PolarHBondContact O-N 2.95Å; L252-L256 WeakPolarHBondContact O-CB 3.4Å; L252-L256 PolarHBondContact O-N 3.17Å
253H91.4Very high91.8Very high106 Ų10658.2 Ų58.249%0.49129%0.293SS..Hα-helixtrans-67.2-38.2-177.768.4-88.5000113P251 S257P251-H253 VanDerWaalsContact C-N 3.31Å; P251-H253 PolarHBondContact O-N 3.15Å; H253-S257 WeakPolarHBondContact O-CB 3.42Å; H253-S257 PolarHBondContact O-N 3.05Å
254K92.9Very high91.9Very high95 Ų9559.4 Ų59.441%0.41330%0.304SS..Hα-helixtrans-69.5-43.6177.1-66.2-165.2177179.60110.6P251 S257 C258P251-K254 HydrophobicContact CB-CB 4.27Å; P251-K254 HydrophobicContact CB-CD 4.46Å; P251-K254 HydrophobicContact CB-CG 4.18Å; P251-K254 HydrophobicContact CG-CD 4.29Å; P251-K254 PolarHBondContact O-N 3.5Å; P251-K254 VanDerWaalsContact O-N 3.11Å; K254-S257 PolarHBondContact O-N 2.79Å; K254-C258 WeakPolarHBondContact O-CB 3.49Å; K254-C258 PolarHBondContact O-N 3.16Å
255L92.9Very high92.1Very high0 Ų060 Ų600%030%0.303CS..Hα-helixtrans-61.6-46.4176.6-177.660.6000111.5L182 I203 V208 L232 F250 P251 L252 C258 L259L182-L255 HydrophobicContact CD1-CG 4.38Å; L182-L255 HydrophobicContact CD2-CD2 3.98Å; L182-L255 HydrophobicContact CD2-CG 4.43Å; I203-L255 HydrophobicContact CD1-CD2 3.96Å; V208-L255 HydrophobicContact CG2-CD2 3.91Å; L232-L255 HydrophobicContact CD1-CD1 3.69Å; L232-L255 HydrophobicContact CD2-CD1 4.01Å; L232-L255 HydrophobicContact CG-CD1 4.47Å; F250-L255 HydrophobicContact CB-CB 4.22Å; F250-L255 HydrophobicContact CB-CD2 4.15Å; F250-L255 HydrophobicContact CD1-CD1 4.42Å; P251-L255 PolarHBondContact O-N 2.86Å; L252-L255 PolarHBondContact O-N 2.95Å; L255-C258 PolarHBondContact O-N 2.79Å; L255-L259 HydrophobicContact CD1-CD1 4.1Å; L255-L259 HydrophobicContact CD1-CG 4.13Å; L255-L259 HydrophobicContact CG-CD1 4.1Å; L255-L259 HydrophobicContact CG-CG 4.49Å; L255-L259 WeakPolarHBondContact O-CB 3.4Å; L255-L259 WeakPolarHBondContact O-CG 3.34Å; L255-L259 PolarHBondContact O-N 2.86Å
256L93.9Very high92.3Very high36 Ų3653.9 Ų53.919%0.18827%0.274CS..Hα-helixtrans-57.5-52.3176.5177.461000111.4L178 A179 L182 L252 C258 L259 Q260L178-L256 HydrophobicContact CB-CD1 4.1Å; L178-L256 HydrophobicContact CD2-CD1 3.86Å; L178-L256 HydrophobicContact CG-CD1 3.7Å; A179-L256 HydrophobicContact CB-CD1 4.32Å; A179-L256 HydrophobicContact CB-CD2 4.17Å; L182-L256 HydrophobicContact CD1-CB 3.77Å; L182-L256 HydrophobicContact CD1-CD1 3.93Å; L182-L256 HydrophobicContact CD1-CG 4.45Å; L252-L256 WeakPolarHBondContact O-CB 3.4Å; L252-L256 PolarHBondContact O-N 3.17Å; L256-C258 PolarHBondContact O-N 2.97Å; L256-L259 PolarHBondContact O-N 2.77Å; L256-Q260 HydrophobicContact CD1-CG 4.1Å; L256-Q260 WeakPolarHBondContact O-CB 3.39Å; L256-Q260 VanDerWaalsContact O-CG 3.29Å; L256-Q260 WeakPolarHBondContact O-CG 3.16Å; L256-Q260 PolarHBondContact O-N 3.41Å
257S93.6Very high92.5Very high50 Ų5048.3 Ų48.335%0.3525%0.248SC..Hα-helixtrans-60.1-44.8179.6-175.50000111.9H253 K254 L259 Q260 Q261H253-S257 WeakPolarHBondContact O-CB 3.42Å; H253-S257 PolarHBondContact O-N 3.05Å; K254-S257 PolarHBondContact O-N 2.79Å; S257-L259 PolarHBondContact O-N 2.74Å; S257-Q260 PolarHBondContact O-N 3.03Å; S257-Q261 VanDerWaalsContact O-CG 3.27Å; S257-Q261 WeakPolarHBondContact O-CG 3.3Å; S257-Q261 PolarHBondContact O-N 2.88Å; S257-Q261 PolarHBondContact OG-NE2 3.49Å
258C93.2Very high92.7Very high1 Ų146.1 Ų46.11%0.00723%0.23CC..Hα-helixtrans-59.8-47.5177.4-178.80000111.7P240 K254 L255 L256 Q261 N262P240-C258 HydrophobicContact CB-CB 4.44Å; K254-C258 WeakPolarHBondContact O-CB 3.49Å; K254-C258 PolarHBondContact O-N 3.16Å; L255-C258 PolarHBondContact O-N 2.79Å; L256-C258 PolarHBondContact O-N 2.97Å; C258-Q261 PolarHBondContact O-N 2.87Å; C258-N262 PolarHBondContact O-N 3.38Å; C258-N262 PolarHBondContact O-ND2 3.4Å
259L93.8Very high92.6Very high1 Ų139.5 Ų39.51%0.00521%0.205CC..Hα-helixtrans-65.2-42.8178.1-70.8178.1000111.7I8 L178 L182 L211 I228 L232 L255 L256 S257 Q261 N262 L263I8-L259 HydrophobicContact CD1-CD2 3.84Å; L178-L259 HydrophobicContact CD1-CD1 4.1Å; L178-L259 HydrophobicContact CD2-CB 3.7Å; L182-L259 HydrophobicContact CD1-CD1 4.29Å; L182-L259 HydrophobicContact CD2-CD1 4.08Å; L211-L259 HydrophobicContact CD1-CD1 4.36Å; I228-L259 HydrophobicContact CD1-CD2 3.97Å; I228-L259 HydrophobicContact CG1-CD2 4.3Å; L232-L259 HydrophobicContact CD2-CD2 4.35Å; L255-L259 HydrophobicContact CD1-CD1 4.1Å; L255-L259 HydrophobicContact CD1-CG 4.13Å; L255-L259 HydrophobicContact CG-CD1 4.1Å; L255-L259 HydrophobicContact CG-CG 4.49Å; L255-L259 WeakPolarHBondContact O-CB 3.4Å; L255-L259 WeakPolarHBondContact O-CG 3.34Å; L255-L259 PolarHBondContact O-N 2.86Å; L256-L259 PolarHBondContact O-N 2.77Å; S257-L259 PolarHBondContact O-N 2.74Å; L259-Q261 VanDerWaalsContact C-N 3.32Å; L259-Q261 PolarHBondContact O-N 2.82Å; L259-N262 PolarHBondContact O-N 3.36Å; L259-L263 WeakPolarHBondContact O-CB 3.45Å; L259-L263 PolarHBondContact O-N 3.22Å
260Q93.8Very high92.4Very high103 Ų10339.7 Ų39.748%0.48120%0.204SC..Hα-helixtrans-60.5-39.5178.4-74.3177.3-35.800112.8L178 L256 S257 N262L178-Q260 HydrophobicContact CD2-CG 3.68Å; L256-Q260 HydrophobicContact CD1-CG 4.1Å; L256-Q260 WeakPolarHBondContact O-CB 3.39Å; L256-Q260 VanDerWaalsContact O-CG 3.29Å; L256-Q260 WeakPolarHBondContact O-CG 3.16Å; L256-Q260 PolarHBondContact O-N 3.41Å; S257-Q260 PolarHBondContact O-N 3.03Å; Q260-N262 VanDerWaalsContact C-N 3.35Å
261Q92Very high92.2Very high142 Ų14241.8 Ų41.866%0.66422%0.217SC*.Hα-helixtrans-72.2-27.2-179-71.8172.71.700113.5S257 C258 L259S257-Q261 VanDerWaalsContact O-CG 3.27Å; S257-Q261 WeakPolarHBondContact O-CG 3.3Å; S257-Q261 PolarHBondContact O-N 2.88Å; S257-Q261 PolarHBondContact OG-NE2 3.49Å; C258-Q261 PolarHBondContact O-N 2.87Å; L259-Q261 VanDerWaalsContact C-N 3.32Å; L259-Q261 PolarHBondContact O-N 2.82Å
262N92.6Very high91.9Very high34 Ų3441.8 Ų41.818%0.18222%0.218CC..Hα-helixtrans-108.11.2-173.3-66.9-80.3000113.5I8 L237 C258 L259 Q260I8-N262 HydrophobicContact CD1-CB 3.96Å; I8-N262 HydrophobicContact CG1-CB 4.49Å; I8-N262 PolarHBondContact N-O 3.22Å; L237-N262 WeakPolarHBondContact CD2-ND2 3.31Å; C258-N262 PolarHBondContact O-N 3.38Å; C258-N262 PolarHBondContact O-ND2 3.4Å; L259-N262 PolarHBondContact O-N 3.36Å; Q260-N262 VanDerWaalsContact C-N 3.35Å
263L94.4Very high91.6Very high16 Ų1640.5 Ų40.58%0.08421%0.212CC..BIsolated β-bridgetrans-77.9125.8-179.6-163.667.1000110.8I8 L171 V174 Q175 L215 L259I8-L263 HydrophobicContact CG2-CD1 4.04Å; I8-L263 CarbonylContact O-C 3.56Å; I8-L263 WeakPolarHBondContact O-CA 3.18Å; L171-L263 HydrophobicContact CD1-CD2 3.78Å; L171-L263 HydrophobicContact CD1-CG 3.59Å; V174-L263 HydrophobicContact CB-CD2 4.26Å; V174-L263 HydrophobicContact CG1-CD2 3.78Å; Q175-L263 HydrophobicContact CG-CD2 3.57Å; L215-L263 HydrophobicContact CD2-CD1 3.91Å; L259-L263 WeakPolarHBondContact O-CB 3.45Å; L259-L263 PolarHBondContact O-N 3.22Å
264T94.3Very high91.4Very high55 Ų5540.2 Ų40.234%0.33721%0.214SC..  trans-133.2167.1-172.858.60000110.8I8 W9I8-T264 PolarHBondContact O-N 3.22Å; I8-T264 PolarHBondContact O-OG1 3.24Å; W9-T264 VanDerWaalsContact CB-O 3.32Å; W9-T264 WeakPolarHBondContact CB-O 3.23Å
265L93.3Very high91Very high52 Ų5245.5 Ų45.527%0.27223%0.231SC..  trans-66.7142.8175.2-169.869.1000110.4D167 Q168 L171 P267 T271D167-L265 HydrophobicContact CB-CD1 4.2Å; D167-L265 WeakPolarHBondContact O-CD1 3.27Å; Q168-L265 HydrophobicContact CB-CD1 4.43Å; L171-L265 HydrophobicContact CB-CD1 4.37Å; L171-L265 HydrophobicContact CD2-CB 4.19Å; L171-L265 HydrophobicContact CD2-CD1 4.13Å; L265-P267 WeakPolarHBondContact O-CD 3.33Å; L265-P267 VanDerWaalsContact O-N 3.16Å; L265-T271 HydrophobicContact CD2-CG2 3.99Å
266N91.7Very high90.2Very high3 Ų349.7 Ų49.72%0.01626%0.26CS..  trans-60.7118.3179.8-172.1-39.1000111W9 P10 F268 G269W9-N266 HydrophobicContact CB-CB 4.36Å; W9-N266 VanDerWaalsContact CD1-CG 3.44Å; W9-N266 HydrophobicContact CG-CB 4.31Å; P10-N266 PolarHBondContact O-ND2 3.39Å; N266-F268 PolarHBondContact O-N 2.88Å; N266-F268 VanDerWaalsContact O-N 3.17Å; N266-F268 WeakPolarHBondContact OD1-CA 3.22Å; N266-F268 PolarHBondContact OD1-N 2.82Å; N266-G269 PolarHBondContact O-N 2.93Å; N266-G269 PolarHBondContact OD1-N 3.33Å
267P90.9Very high89.5Confident57 Ų5748.6 Ų48.637%0.3726%0.258SS..THydrogen-bonded Turntrans-70.5-10.9-177.229.1-34.3000113.5W9 L265 A272W9-P267 HydrophobicContact CD2-CG 3.92Å; W9-P267 HydrophobicContact CE3-CG 4.05Å; W9-P267 HydrophobicContact CH2-CG 4.07Å; W9-P267 HydrophobicContact CZ2-CG 3.95Å; W9-P267 HydrophobicContact CZ3-CG 4.12Å; L265-P267 WeakPolarHBondContact O-CD 3.33Å; L265-P267 VanDerWaalsContact O-N 3.16Å; P267-A272 WeakPolarHBondContact O-CB 3.29Å
268F90.8Very high89Confident22 Ų2252 Ų5210%0.09627%0.266CS..THydrogen-bonded Turntrans-114.17.7177.6-50.8-69.9000112.7W9 I225 N266 N298 A302W9-F268 HydrophobicContact CZ2-CD2 4.4Å; W9-F268 AromaticContact CZ2-CE2 3.98Å; W9-F268 HydrophobicContact CZ2-CE2 3.98Å; I225-F268 HydrophobicContact CD1-CD2 4.29Å; I225-F268 HydrophobicContact CD1-CE2 3.52Å; I225-F268 HydrophobicContact CD1-CZ 4.04Å; I225-F268 HydrophobicContact CG1-CE2 4.24Å; N266-F268 PolarHBondContact O-N 2.88Å; N266-F268 VanDerWaalsContact O-N 3.17Å; N266-F268 WeakPolarHBondContact OD1-CA 3.22Å; N266-F268 PolarHBondContact OD1-N 2.82Å; F268-N298 PolarHBondContact O-ND2 2.83Å; F268-A302 HydrophobicContact CB-CB 4.41Å; F268-A302 HydrophobicContact CD1-CB 3.96Å; F268-A302 HydrophobicContact CG-CB 4.4Å
269G88.6Confident88.3Confident0 Ų060 Ų600%030%0.301CS..SBendtrans-74.9-175.2-179.600000114.7D167 N266 T271 A272 C273 M308D167-G269 VanDerWaalsContact OD2-C 3.26Å; D167-G269 WeakPolarHBondContact OD2-CA 3.33Å; N266-G269 PolarHBondContact O-N 2.93Å; N266-G269 PolarHBondContact OD1-N 3.33Å; G269-T271 VanDerWaalsContact C-N 3.35Å; G269-T271 PolarHBondContact O-N 3.34Å; G269-A272 PolarHBondContact O-N 3.48Å; G269-C273 WeakPolarHBondContact O-CB 3.46Å; G269-C273 PolarHBondContact O-N 3.46Å; G269-M308 VanDerWaalsContact C-SD 3.59Å; G269-M308 VanDerWaalsContact O-SD 3.35Å
270M88.3Confident87.2Confident17 Ų1761.5 Ų61.58%0.08431%0.309CS..Hα-helixtrans-59.3-42.4179.9-84.5-66.9-58.900112.8W165 D167 C273 L274 M308 L310 K332W165-M270 HydrophobicContact CB-CG 4.45Å; W165-M270 HydrophobicContact CE3-CG 3.62Å; W165-M270 HydrophobicContact CE3-SD 3.5Å; W165-M270 VanDerWaalsContact CE3-SD 3.5Å; W165-M270 HydrophobicContact CZ3-CG 4.31Å; W165-M270 HydrophobicContact CZ3-SD 3.8Å; W165-M270 WeakPolarHBondContact O-CB 3.36Å; W165-M270 WeakPolarHBondContact O-CG 3.38Å; D167-M270 PolarHBondContact OD2-N 3.17Å; D167-M270 VanDerWaalsContact OD2-N 3.07Å; M270-C273 PolarHBondContact O-N 3.19Å; M270-L274 HydrophobicContact CE-CD1 4.42Å; M270-L274 WeakPolarHBondContact O-CB 3.31Å; M270-L274 WeakPolarHBondContact O-CG 3.47Å; M270-L274 PolarHBondContact O-N 2.62Å; M270-M308 VanDerWaalsContact CA-CE 3.49Å; M270-M308 HydrophobicContact CB-CE 4.09Å; M270-M308 HydrophobicContact CG-CE 3.5Å; M270-M308 VanDerWaalsContact CG-CE 3.5Å; M270-M308 HydrophobicContact SD-CE 3.17Å; M270-M308 WeakPolarHBondContact SD-CE 3.5Å; M270-L310 HydrophobicContact CE-CD1 3.98Å; M270-L310 HydrophobicContact CE-CD2 3.81Å; M270-L310 HydrophobicContact CE-CG 4.34Å; M270-K332 HydrophobicContact CE-CD 3.94Å; M270-K332 HydrophobicContact SD-CD 4.16Å
271T88.3Confident85.6Confident43 Ų4359.7 Ų59.726%0.26431%0.311SS..Hα-helixtrans-64.9-42.6-179.6-64.20000110.9D167 L265 G269 L274 R275D167-T271 WeakPolarHBondContact OD1-CB 3.27Å; D167-T271 PolarHBondContact OD1-N 2.71Å; D167-T271 PolarHBondContact OD1-OG1 3.04Å; D167-T271 VanDerWaalsContact OD2-CB 3.25Å; D167-T271 WeakPolarHBondContact OD2-CB 3.36Å; D167-T271 PolarHBondContact OD2-N 3.4Å; D167-T271 PolarHBondContact OD2-OG1 3.19Å; L265-T271 HydrophobicContact CD2-CG2 3.99Å; G269-T271 VanDerWaalsContact C-N 3.35Å; G269-T271 PolarHBondContact O-N 3.34Å; T271-L274 PolarHBondContact O-N 3.07Å; T271-R275 WeakPolarHBondContact O-CB 3.37Å; T271-R275 PolarHBondContact O-N 2.82Å; T271-R275 VanDerWaalsContact O-N 3.09Å
272A86.9Confident84Confident17 Ų1755.3 Ų55.314%0.1429%0.289CS..Hα-helixtrans-65.3-46.1175.400000111.5P267 G269 L274 R275 S276 G277P267-A272 WeakPolarHBondContact O-CB 3.29Å; G269-A272 PolarHBondContact O-N 3.48Å; A272-L274 VanDerWaalsContact C-N 3.29Å; A272-L274 PolarHBondContact O-N 3.11Å; A272-R275 PolarHBondContact O-N 2.77Å; A272-R275 VanDerWaalsContact O-N 3.11Å; A272-S276 PolarHBondContact O-N 3.49Å; A272-S276 PolarHBondContact O-OG 2.7Å; A272-G277 PolarHBondContact O-N 3.48Å
273C86.8Confident81.8Confident1 Ų158.2 Ų58.21%0.00732%0.318CS..Hα-helixtrans-58.9-38.5177.8-175.20000112.9G269 M270 G277 N298 M308G269-C273 WeakPolarHBondContact O-CB 3.46Å; G269-C273 PolarHBondContact O-N 3.46Å; M270-C273 PolarHBondContact O-N 3.19Å; C273-G277 WeakPolarHBondContact O-CA 3.29Å; C273-G277 PolarHBondContact O-N 2.68Å; C273-N298 HydrophobicContact CB-CB 4.48Å; C273-M308 HydrophobicContact CB-CE 4.1Å; C273-M308 HydrophobicContact CB-CG 3.89Å; C273-M308 HydrophobicContact CB-SD 3.42Å; C273-M308 WeakPolarHBondContact CB-SD 3.22Å
274L86.1Confident79.7Confident100 Ų10061.5 Ų61.552%0.52433%0.332SS..Hα-helixtrans-69.7-36.5175.8-78.8169.7000113.3M270 T271 A272 L310M270-L274 HydrophobicContact CE-CD1 4.42Å; M270-L274 WeakPolarHBondContact O-CB 3.31Å; M270-L274 WeakPolarHBondContact O-CG 3.47Å; M270-L274 PolarHBondContact O-N 2.62Å; T271-L274 PolarHBondContact O-N 3.07Å; A272-L274 VanDerWaalsContact C-N 3.29Å; A272-L274 PolarHBondContact O-N 3.11Å; L274-L310 HydrophobicContact CD1-CD2 4.42Å; L274-L310 HydrophobicContact CD2-CD2 3.35Å; L274-L310 HydrophobicContact CG-CD2 3.95Å
275R83.9Confident77.3Confident205 Ų20564.4 Ų64.477%0.77434%0.342SS*.Hα-helixtrans-83.7-50.7-174.8-171-175.8-62.6171.71.3112.9T271 A272T271-R275 WeakPolarHBondContact O-CB 3.37Å; T271-R275 PolarHBondContact O-N 2.82Å; T271-R275 VanDerWaalsContact O-N 3.09Å; A272-R275 PolarHBondContact O-N 2.77Å; A272-R275 VanDerWaalsContact O-N 3.11Å
276S77.8Confident74.8Confident89 Ų8964.7 Ų64.762%0.62235%0.346SS*.Hα-helixtrans-115.5-4.8-172.660.40000113.8A272A272-S276 PolarHBondContact O-N 3.49Å; A272-S276 PolarHBondContact O-OG 2.7Å
277G79.1Confident72.1Confident13 Ų1373.7 Ų73.713%0.13439%0.388CS..SBendtrans-65.3150.4178.200000112.8A272 C273 K279 R297A272-G277 PolarHBondContact O-N 3.48Å; C273-G277 WeakPolarHBondContact O-CA 3.29Å; C273-G277 PolarHBondContact O-N 2.68Å; G277-K279 PolarHBondContact O-N 2.78Å; G277-R297 CarbonylContact C-O 3.53Å; G277-R297 VanDerWaalsContact CA-O 3.31Å; G277-R297 WeakPolarHBondContact CA-O 3.46Å
278K81.7Confident69.9Low120 Ų12073 Ų7352%0.52239%0.391SS..EExtended strand (participates in β ladder)trans-72.1115.6177.8-173.9162.2178.3172.30108.8L280 R297K278-L280 PolarHBondContact O-N 2.64Å; K278-R297 HydrophobicContact CB-CG 4.45Å; K278-R297 PolarHBondContact N-O 3.29Å; K278-R297 WeakPolarHBondContact O-CG 3.21Å; K278-R297 PolarHBondContact O-N 2.96Å
279K79.5Confident67.8Low171 Ų17177.5 Ų77.574%0.74343%0.433SS*.EExtended strand (participates in β ladder)trans-68126.1172.8-66.1-179.4-176.6173.70109.2G277 I295G277-K279 PolarHBondContact O-N 2.78Å; K279-I295 CarbonylContact C-O 3.54Å; K279-I295 VanDerWaalsContact CA-O 3.31Å; K279-I295 WeakPolarHBondContact CA-O 3.33Å
280L69.8Low66.2Low32 Ų3281.3 Ų81.317%0.16845%0.451CS..  trans-90.8121.4176.6-78.3168.7000109.6K278 W282 I295 R297K278-L280 PolarHBondContact O-N 2.64Å; L280-W282 HydrophobicContact CB-CG 4.5Å; L280-W282 HydrophobicContact CD1-CZ2 3.83Å; L280-W282 PolarHBondContact O-N 3.24Å; L280-I295 HydrophobicContact CB-CB 4.11Å; L280-I295 HydrophobicContact CB-CG2 3.93Å; L280-I295 HydrophobicContact CD1-CG2 3.92Å; L280-I295 PolarHBondContact N-O 3.01Å; L280-R297 VanDerWaalsContact CD1-CD 3.47Å; L280-R297 HydrophobicContact CD1-CG 3.95Å; L280-R297 HydrophobicContact CG-CG 4.15Å
281A60.3Low64.8Low65 Ų6589 Ų8954%0.53748%0.484SS..  trans-79.892.6158.700000107.1R292A281-R292 VanDerWaalsContact CA-NH2 3.29Å
282W59.9Low63.7Low50 Ų5094.2 Ų94.219%0.18950%0.499CS..  trans-80.2123.6163.6-70.8-9.5000106.9L280 Q284 I295 M311 L319 K321L280-W282 HydrophobicContact CB-CG 4.5Å; L280-W282 HydrophobicContact CD1-CZ2 3.83Å; L280-W282 PolarHBondContact O-N 3.24Å; W282-Q284 PolarHBondContact O-N 2.99Å; W282-Q284 VanDerWaalsContact O-N 3.17Å; W282-I295 HydrophobicContact CB-CD1 4.42Å; W282-I295 HydrophobicContact CD2-CD1 3.57Å; W282-I295 HydrophobicContact CE3-CD1 2.98Å; W282-I295 HydrophobicContact CE3-CG1 4.39Å; W282-I295 HydrophobicContact CG-CD1 4.16Å; W282-I295 HydrophobicContact CH2-CD1 4.46Å; W282-I295 HydrophobicContact CH2-CG2 4.47Å; W282-I295 HydrophobicContact CZ2-CG2 4.46Å; W282-I295 HydrophobicContact CZ3-CD1 3.52Å; W282-I295 HydrophobicContact CZ3-CG2 4.44Å; W282-M311 HydrophobicContact CH2-CE 3.39Å; W282-M311 HydrophobicContact CH2-SD 4.03Å; W282-M311 HydrophobicContact CZ3-CE 3.75Å; W282-M311 HydrophobicContact CZ3-CG 4.43Å; W282-M311 HydrophobicContact CZ3-SD 3.72Å; W282-L319 HydrophobicContact CB-CD1 4.47Å; W282-L319 HydrophobicContact CD2-CD1 3.97Å; W282-L319 HydrophobicContact CE3-CD1 3.12Å; W282-L319 HydrophobicContact CE3-CD2 3.54Å; W282-L319 HydrophobicContact CE3-CG 3.85Å; W282-L319 HydrophobicContact CZ3-CD1 3.58Å; W282-L319 HydrophobicContact CZ3-CD2 3.33Å; W282-L319 HydrophobicContact CZ3-CG 3.86Å; W282-K321 HydrophobicContact CH2-CB 4.34Å; W282-K321 HydrophobicContact CH2-CG 4.31Å; W282-K321 HydrophobicContact CZ2-CG 4.1Å
283A46.2Very low63.1Low95 Ų9594.3 Ų94.379%0.78550%0.5SS*.  trans-55.4123.2-17200000108.6Q285A283-Q285 PolarHBondContact O-N 3.32Å
284Q49.4Very low62.9Low85 Ų85100.6 Ų100.640%0.39753%0.527SS..  trans-70.6111.7178.2-164.3175.3-35.600106.5W282 V286 G288W282-Q284 PolarHBondContact O-N 2.99Å; W282-Q284 VanDerWaalsContact O-N 3.17Å; Q284-V286 VanDerWaalsContact CG-O 3.26Å; Q284-V286 WeakPolarHBondContact CG-O 3.32Å; Q284-V286 PolarHBondContact NE2-O 3.21Å; Q284-V286 PolarHBondContact O-N 3.37Å; Q284-G288 PolarHBondContact NE2-O 2.77Å
285Q44.5Very low62.9Low115 Ų11596.1 Ų96.154%0.53750%0.504SS..SBendtrans-77.85.5174.8-73.4-162.7-43.500112.9A283 T558A283-Q285 PolarHBondContact O-N 3.32Å; Q285-T558 PolarHBondContact O-OG1 2.85Å
286V41Very low63.1Low59 Ų5986.8 Ų86.836%0.35847%0.47SS..SBendtrans-132.6104.9-179-172.40000109.8Q284 G288Q284-V286 VanDerWaalsContact CG-O 3.26Å; Q284-V286 WeakPolarHBondContact CG-O 3.32Å; Q284-V286 PolarHBondContact NE2-O 3.21Å; Q284-V286 PolarHBondContact O-N 3.37Å; V286-G288 PolarHBondContact O-N 2.88Å
287E34Very low63.7Low191 Ų19183.5 Ų83.589%0.89344%0.444SS*.  trans-68.8113.6169.9-117.3178.9177.800109.6
288G45Very low64.3Low43 Ų4383.4 Ų83.444%0.44344%0.44SS..SBendtrans174.3160.4-179.500000111.6Q284 V286 M290Q284-G288 PolarHBondContact NE2-O 2.77Å; V286-G288 PolarHBondContact O-N 2.88Å; G288-M290 PolarHBondContact O-N 3.22Å
289A46.2Very low64.5Low117 Ų11778.6 Ų78.697%0.96742%0.421SS*.SBendtrans-67.230.3-178.500000114.7
290M55.4Low64.7Low79 Ų7975 Ų7539%0.38941%0.407SS..PPolyproline II helixtrans-77138.5174.6-70.7-167.917300110.4G288 R292 K316G288-M290 PolarHBondContact O-N 3.22Å; M290-R292 PolarHBondContact O-N 2.74Å; M290-K316 HydrophobicContact CE-CB 3.78Å; M290-K316 HydrophobicContact CE-CD 4.09Å; M290-K316 HydrophobicContact SD-CB 4.03Å
291K59.9Low65.4Low178 Ų17879.9 Ų79.977%0.77443%0.43SS*.PPolyproline II helixtrans-60.7123.2177.1-72.3179.6-179.8173.30109.3A293K291-A293 PolarHBondContact O-N 2.84Å
292R65.4Low66.7Low154 Ų15477.2 Ų77.258%0.58141%0.408SS*.PPolyproline II helixtrans-57.9130.6178.3-175.5172.1171.7177.8-5.5111.3A281 M290 K294A281-R292 VanDerWaalsContact CA-NH2 3.29Å; M290-R292 PolarHBondContact O-N 2.74Å; R292-K294 PolarHBondContact O-N 2.81Å
293A73Confident68Low19 Ų1976.7 Ų76.716%0.15741%0.412CS..PPolyproline II helixtrans-53133.1172.500000111.1K291 I295 V314K291-A293 PolarHBondContact O-N 2.84Å; A293-I295 HydrophobicContact CB-CD1 4.22Å; A293-I295 HydrophobicContact CB-CG1 4.22Å; A293-I295 PolarHBondContact O-N 2.87Å; A293-V314 HydrophobicContact CB-CG2 3.88Å
294K82.9Confident69.7Low132 Ų13277.2 Ų77.257%0.57441%0.409SS*.EExtended strand (participates in β ladder)trans-94.4102.7179.3-68.8179.3-176.3162.90109.2R292 S312 Q313R292-K294 PolarHBondContact O-N 2.81Å; K294-S312 PolarHBondContact N-O 2.83Å; K294-S312 PolarHBondContact O-N 2.85Å; K294-Q313 VanDerWaalsContact CE-OE1 3.24Å
295I86.5Confident71.2Confident7 Ų773.5 Ų73.54%0.03639%0.394CS..EExtended strand (participates in β ladder)trans-119.9119.9-177.3-51.8-175.7000109.3K279 L280 W282 A293 V309 L310 M311 L319K279-I295 CarbonylContact C-O 3.54Å; K279-I295 VanDerWaalsContact CA-O 3.31Å; K279-I295 WeakPolarHBondContact CA-O 3.33Å; L280-I295 HydrophobicContact CB-CB 4.11Å; L280-I295 HydrophobicContact CB-CG2 3.93Å; L280-I295 HydrophobicContact CD1-CG2 3.92Å; L280-I295 PolarHBondContact N-O 3.01Å; W282-I295 HydrophobicContact CB-CD1 4.42Å; W282-I295 HydrophobicContact CD2-CD1 3.57Å; W282-I295 HydrophobicContact CE3-CD1 2.98Å; W282-I295 HydrophobicContact CE3-CG1 4.39Å; W282-I295 HydrophobicContact CG-CD1 4.16Å; W282-I295 HydrophobicContact CH2-CD1 4.46Å; W282-I295 HydrophobicContact CH2-CG2 4.47Å; W282-I295 HydrophobicContact CZ2-CG2 4.46Å; W282-I295 HydrophobicContact CZ3-CD1 3.52Å; W282-I295 HydrophobicContact CZ3-CG2 4.44Å; A293-I295 HydrophobicContact CB-CD1 4.22Å; A293-I295 HydrophobicContact CB-CG1 4.22Å; A293-I295 PolarHBondContact O-N 2.87Å; I295-V309 HydrophobicContact CG2-CG1 4.22Å; I295-L310 CarbonylContact C-O 3.56Å; I295-L310 VanDerWaalsContact CA-O 3.26Å; I295-L310 WeakPolarHBondContact CA-O 3.32Å; I295-M311 HydrophobicContact CD1-CG 4.45Å; I295-M311 HydrophobicContact CG1-CG 4.42Å; I295-M311 HydrophobicContact CG2-CG 4.15Å; I295-L319 HydrophobicContact CD1-CD2 4.48Å
296A88.4Confident73.3Confident8 Ų868.7 Ų68.77%0.06637%0.373CS..EExtended strand (participates in β ladder)trans-124.8144-179.800000109.9V309 L310A296-V309 WeakPolarHBondContact O-CA 3.2Å; A296-L310 PolarHBondContact N-O 2.87Å; A296-L310 PolarHBondContact O-N 2.96Å
297R90.4Very high75.7Confident21 Ų2168.6 Ų68.68%0.07937%0.368CS..EExtended strand (participates in β ladder)trans-145148.8178.162.1170.2-17295.22.4112.7G277 K278 L280 T299 M308 V309G277-R297 CarbonylContact C-O 3.53Å; G277-R297 VanDerWaalsContact CA-O 3.31Å; G277-R297 WeakPolarHBondContact CA-O 3.46Å; K278-R297 HydrophobicContact CB-CG 4.45Å; K278-R297 PolarHBondContact N-O 3.29Å; K278-R297 WeakPolarHBondContact O-CG 3.21Å; K278-R297 PolarHBondContact O-N 2.96Å; L280-R297 VanDerWaalsContact CD1-CD 3.47Å; L280-R297 HydrophobicContact CD1-CG 3.95Å; L280-R297 HydrophobicContact CG-CG 4.15Å; R297-T299 HydrophobicContact CB-CG2 4.46Å; R297-T299 PolarHBondContact NH1-OG1 3.24Å; R297-M308 WeakPolarHBondContact CA-O 3.17Å; R297-V309 HydrophobicContact CB-CG1 4.42Å; R297-V309 HydrophobicContact CB-CG2 4.01Å
298N90.8Very high78.5Confident10 Ų1059.9 Ų59.95%0.05333%0.327CS..  trans-109.41.4171.675.1-3.2000112.6F268 C273 H300 M301 A302 S306 K307 M308F268-N298 PolarHBondContact O-ND2 2.83Å; C273-N298 HydrophobicContact CB-CB 4.48Å; N298-H300 PolarHBondContact O-N 3.15Å; N298-M301 PolarHBondContact O-N 3.01Å; N298-A302 HydrophobicContact CB-CB 4.26Å; N298-A302 VanDerWaalsContact CG-CB 3.48Å; N298-A302 WeakPolarHBondContact ND2-CB 3.37Å; N298-A302 PolarHBondContact O-N 2.99Å; N298-S306 PolarHBondContact ND2-O 3.16Å; N298-K307 WeakPolarHBondContact OD1-CA 3.19Å; N298-M308 HydrophobicContact CB-CG 4.37Å; N298-M308 VanDerWaalsContact CG-CG 3.5Å; N298-M308 PolarHBondContact N-O 2.94Å; N298-M308 WeakPolarHBondContact ND2-CG 3.14Å; N298-M308 PolarHBondContact ND2-SD 2.85Å; N298-M308 VanDerWaalsContact ND2-SD 3.36Å; N298-M308 WeakPolarHBondContact OD1-CG 3.24Å; N298-M308 PolarHBondContact OD1-N 3.14Å; N298-M308 PolarHBondContact OD1-O 2.96Å
299T85.8Confident80.8Confident20 Ų2057.9 Ų57.912%0.12331%0.306CS..THydrogen-bonded Turntrans-59.1-11.3-167.361.60000116.3R297 K307 V309 K325 A329R297-T299 HydrophobicContact CB-CG2 4.46Å; R297-T299 PolarHBondContact NH1-OG1 3.24Å; T299-K307 HydrophobicContact CG2-CB 4.12Å; T299-V309 HydrophobicContact CG2-CG2 3.79Å; T299-K325 PolarHBondContact OG1-O 2.93Å; T299-A329 HydrophobicContact CG2-CB 4.06Å
300H83.9Confident83Confident94 Ų9452.9 Ų52.944%0.43526%0.263SS..THydrogen-bonded Turntrans-87.3-17.817761.4-64.5000113.8N298N298-H300 PolarHBondContact O-N 3.15Å
301M85.4Confident84.7Confident135 Ų13549.1 Ų49.167%0.66525%0.245SC*.THydrogen-bonded Turntrans-123.6-27.8-177.5-70.8173.17200112.5N298N298-M301 PolarHBondContact O-N 3.01Å
302A86.6Confident86.1Confident9 Ų941.3 Ų41.37%0.07421%0.213CC..SBendtrans-73.3141-176.600000112F268 N298 S306 K307F268-A302 HydrophobicContact CB-CB 4.41Å; F268-A302 HydrophobicContact CD1-CB 3.96Å; F268-A302 HydrophobicContact CG-CB 4.4Å; N298-A302 HydrophobicContact CB-CB 4.26Å; N298-A302 VanDerWaalsContact CG-CB 3.48Å; N298-A302 WeakPolarHBondContact ND2-CB 3.37Å; N298-A302 PolarHBondContact O-N 2.99Å; A302-S306 WeakPolarHBondContact CB-O 3.41Å; A302-K307 HydrophobicContact CB-CG 4.4Å
303P87Confident87.2Confident40 Ų4036.9 Ų36.926%0.2620%0.199SC..PPolyproline II helixtrans-64.4166.8171.636.6-44.8000110.9I225 G305 S306 K307I225-P303 HydrophobicContact CD1-CB 3.74Å; I225-P303 HydrophobicContact CD1-CG 3.32Å; P303-G305 PolarHBondContact O-N 3.23Å; P303-S306 PolarHBondContact O-N 3.45Å; P303-S306 VanDerWaalsContact O-N 3.15Å; P303-K307 PolarHBondContact O-N 3.03Å
304S82.5Confident87.9Confident105 Ų10536 Ų3673%0.73419%0.191SC*.THydrogen-bonded Turntrans-52.4138.1166.7-600000110.8S306S304-S306 VanDerWaalsContact C-N 3.29Å; S304-S306 PolarHBondContact O-N 2.94Å
305G80.9Confident88.2Confident8 Ų832.6 Ų32.68%0.08218%0.179CC..THydrogen-bonded Turntrans88.5-33.6-174.700000114.7E13 P303 N330E13-G305 WeakPolarHBondContact OE1-CA 3.45Å; P303-G305 PolarHBondContact O-N 3.23Å; G305-N330 PolarHBondContact O-ND2 3.33Å
306S88.3Confident88.2Confident13 Ų1338.1 Ų38.19%0.09120%0.202CC..THydrogen-bonded Turntrans-101.61.5178.4-530000113.9N298 A302 P303 S304 M308N298-S306 PolarHBondContact ND2-O 3.16Å; A302-S306 WeakPolarHBondContact CB-O 3.41Å; P303-S306 PolarHBondContact O-N 3.45Å; P303-S306 VanDerWaalsContact O-N 3.15Å; S304-S306 VanDerWaalsContact C-N 3.29Å; S304-S306 PolarHBondContact O-N 2.94Å; S306-M308 PolarHBondContact O-N 2.95Å
307K92.4Very high88Confident58 Ų5839 Ų3925%0.25221%0.205SC..  trans-60.2131.4171.2-69.8-178.9-171.5174.40109.8N298 T299 A302 P303 A329 N330N298-K307 WeakPolarHBondContact OD1-CA 3.19Å; T299-K307 HydrophobicContact CG2-CB 4.12Å; A302-K307 HydrophobicContact CB-CG 4.4Å; P303-K307 PolarHBondContact O-N 3.03Å; K307-A329 HydrophobicContact CB-CB 4.02Å; K307-N330 PolarHBondContact O-N 3.48Å; K307-N330 PolarHBondContact O-ND2 3.44Å; K307-N330 VanDerWaalsContact O-ND2 3.07Å
308M91.4Very high87.7Confident7 Ų739.1 Ų39.13%0.03421%0.209CC..EExtended strand (participates in β ladder)trans-145.8151.1-179.880.6-159.2-65.200113.1W165 G269 M270 C273 R297 N298 S306 N330W165-M308 HydrophobicContact CE3-CE 4.5Å; W165-M308 HydrophobicContact CZ3-CE 4.04Å; G269-M308 VanDerWaalsContact C-SD 3.59Å; G269-M308 VanDerWaalsContact O-SD 3.35Å; M270-M308 VanDerWaalsContact CA-CE 3.49Å; M270-M308 HydrophobicContact CB-CE 4.09Å; M270-M308 HydrophobicContact CG-CE 3.5Å; M270-M308 VanDerWaalsContact CG-CE 3.5Å; M270-M308 HydrophobicContact SD-CE 3.17Å; M270-M308 WeakPolarHBondContact SD-CE 3.5Å; C273-M308 HydrophobicContact CB-CE 4.1Å; C273-M308 HydrophobicContact CB-CG 3.89Å; C273-M308 HydrophobicContact CB-SD 3.42Å; C273-M308 WeakPolarHBondContact CB-SD 3.22Å; R297-M308 WeakPolarHBondContact CA-O 3.17Å; N298-M308 HydrophobicContact CB-CG 4.37Å; N298-M308 VanDerWaalsContact CG-CG 3.5Å; N298-M308 PolarHBondContact N-O 2.94Å; N298-M308 WeakPolarHBondContact ND2-CG 3.14Å; N298-M308 PolarHBondContact ND2-SD 2.85Å; N298-M308 VanDerWaalsContact ND2-SD 3.36Å; N298-M308 WeakPolarHBondContact OD1-CG 3.24Å; N298-M308 PolarHBondContact OD1-N 3.14Å; N298-M308 PolarHBondContact OD1-O 2.96Å; S306-M308 PolarHBondContact O-N 2.95Å; M308-N330 CarbonylContact C-O 3.58Å; M308-N330 WeakPolarHBondContact CA-O 3.35Å
309V93.3Very high87.5Confident1 Ų139.6 Ų39.61%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-136.6123.5173.5-174.90000108.7I295 A296 R297 T299 M311 L326 A329 N330 I331 K332I295-V309 HydrophobicContact CG2-CG1 4.22Å; A296-V309 WeakPolarHBondContact O-CA 3.2Å; R297-V309 HydrophobicContact CB-CG1 4.42Å; R297-V309 HydrophobicContact CB-CG2 4.01Å; T299-V309 HydrophobicContact CG2-CG2 3.79Å; V309-M311 HydrophobicContact CG1-CE 3.75Å; V309-M311 HydrophobicContact CG1-CG 4.27Å; V309-L326 HydrophobicContact CG1-CD2 4.43Å; V309-L326 HydrophobicContact CG2-CD2 3.87Å; V309-A329 HydrophobicContact CG2-CB 4.23Å; V309-N330 PolarHBondContact N-O 2.91Å; V309-I331 HydrophobicContact CB-CD1 3.66Å; V309-I331 HydrophobicContact CG2-CD1 3.87Å; V309-I331 CarbonylContact O-C 3.53Å; V309-I331 WeakPolarHBondContact O-CA 3.44Å; V309-K332 PolarHBondContact O-N 3.17Å
310L92.3Very high87.5Confident12 Ų1240.5 Ų40.56%0.06322%0.22CC..EExtended strand (participates in β ladder)trans-102.8124.9173.1174.865.9000108.8M270 L274 I295 A296 K332 H334M270-L310 HydrophobicContact CE-CD1 3.98Å; M270-L310 HydrophobicContact CE-CD2 3.81Å; M270-L310 HydrophobicContact CE-CG 4.34Å; L274-L310 HydrophobicContact CD1-CD2 4.42Å; L274-L310 HydrophobicContact CD2-CD2 3.35Å; L274-L310 HydrophobicContact CG-CD2 3.95Å; I295-L310 CarbonylContact C-O 3.56Å; I295-L310 VanDerWaalsContact CA-O 3.26Å; I295-L310 WeakPolarHBondContact CA-O 3.32Å; A296-L310 PolarHBondContact N-O 2.87Å; A296-L310 PolarHBondContact O-N 2.96Å; L310-K332 WeakPolarHBondContact CA-O 3.47Å; L310-K332 HydrophobicContact CD1-CB 3.79Å; L310-K332 HydrophobicContact CD1-CD 3.93Å; L310-K332 HydrophobicContact CD1-CG 3.78Å; L310-H334 HydrophobicContact CD1-CB 4.29Å
311M91.6Very high87.5Confident0 Ų039.7 Ų39.70%022%0.216CC..EExtended strand (participates in β ladder)trans-116115171.5-57.2179.7-16100107.6W282 I295 V309 L319 I331 K332 I333 H334 L343W282-M311 HydrophobicContact CH2-CE 3.39Å; W282-M311 HydrophobicContact CH2-SD 4.03Å; W282-M311 HydrophobicContact CZ3-CE 3.75Å; W282-M311 HydrophobicContact CZ3-CG 4.43Å; W282-M311 HydrophobicContact CZ3-SD 3.72Å; I295-M311 HydrophobicContact CD1-CG 4.45Å; I295-M311 HydrophobicContact CG1-CG 4.42Å; I295-M311 HydrophobicContact CG2-CG 4.15Å; V309-M311 HydrophobicContact CG1-CE 3.75Å; V309-M311 HydrophobicContact CG1-CG 4.27Å; M311-L319 HydrophobicContact SD-CD2 4.09Å; M311-I331 HydrophobicContact CE-CG2 3.95Å; M311-K332 PolarHBondContact N-O 3.45Å; M311-I333 CarbonylContact O-C 3.51Å; M311-I333 WeakPolarHBondContact O-CA 3.44Å; M311-H334 PolarHBondContact O-N 3.31Å; M311-L343 HydrophobicContact CE-CD1 3.69Å; M311-L343 HydrophobicContact CE-CD2 3.69Å; M311-L343 HydrophobicContact CE-CG 4.37Å; M311-L343 HydrophobicContact SD-CD1 4.03Å; M311-L343 HydrophobicContact SD-CD2 4.06Å
312S90.3Very high87.5Confident14 Ų1436.3 Ų36.310%0.09820%0.203CC..EExtended strand (participates in β ladder)trans-133.8145.4-179.1-164.40000112.7K294 V314 H334K294-S312 PolarHBondContact N-O 2.83Å; K294-S312 PolarHBondContact O-N 2.85Å; S312-V314 VanDerWaalsContact C-N 3.3Å; S312-V314 PolarHBondContact O-N 3.18Å; S312-H334 WeakPolarHBondContact CA-O 3.33Å; S312-H334 WeakPolarHBondContact CB-O 3.39Å; S312-H334 PolarHBondContact OG-ND1 3.47Å; S312-H334 PolarHBondContact OG-O 2.86Å
313Q87.1Confident87.4Confident61 Ų6137 Ų3729%0.28521%0.207SC..  trans6039.3177.4-48.9-173.9-58.300112.7K294 I315 H334 R335K294-Q313 VanDerWaalsContact CE-OE1 3.24Å; Q313-I315 PolarHBondContact O-N 2.94Å; Q313-H334 PolarHBondContact N-O 2.95Å; Q313-R335 VanDerWaalsContact CA-O 3.31Å; Q313-R335 WeakPolarHBondContact CA-O 3.31Å; Q313-R335 PolarHBondContact N-O 3.2Å
314V88.6Confident87.2Confident1 Ų142 Ų421%0.00623%0.231CC..  trans-76.5111.7164.1-1740000106.3A293 S312 Q317 C336 S337 A339 I341A293-V314 HydrophobicContact CB-CG2 3.88Å; S312-V314 VanDerWaalsContact C-N 3.3Å; S312-V314 PolarHBondContact O-N 3.18Å; V314-Q317 HydrophobicContact CG1-CB 3.92Å; V314-C336 HydrophobicContact CB-CB 4.21Å; V314-C336 CarbonylContact O-C 3.45Å; V314-C336 WeakPolarHBondContact O-CA 3.36Å; V314-C336 VanDerWaalsContact O-CB 3.31Å; V314-C336 WeakPolarHBondContact O-CB 3.4Å; V314-S337 PolarHBondContact O-N 3.32Å; V314-A339 HydrophobicContact CB-CB 4.48Å; V314-A339 HydrophobicContact CG1-CB 4.01Å; V314-I341 HydrophobicContact CB-CD1 4.42Å
315I88.8Confident87.4Confident60 Ų6043.3 Ų43.331%0.30822%0.224SC..BIsolated β-bridgetrans-130.9127.1-172.3-61.6174000109.4Q313 Q317 S337Q313-I315 PolarHBondContact O-N 2.94Å; I315-Q317 WeakPolarHBondContact O-CG 3.22Å; I315-Q317 PolarHBondContact O-N 3.13Å; I315-S337 WeakPolarHBondContact CA-O 3.47Å; I315-S337 WeakPolarHBondContact CG2-OG 3.28Å
316K86.5Confident87.8Confident123 Ų12343.1 Ų43.154%0.53522%0.221SC..SBendtrans54.339.9178.2-63.6-179.3178.8-170.60112.8M290 S337 D338M290-K316 HydrophobicContact CE-CB 3.78Å; M290-K316 HydrophobicContact CE-CD 4.09Å; M290-K316 HydrophobicContact SD-CB 4.03Å; K316-S337 PolarHBondContact N-O 3.43Å; K316-S337 VanDerWaalsContact N-O 3.08Å; K316-D338 WeakPolarHBondContact CA-O 3.33Å; K316-D338 HydrophobicContact CG-CB 3.71Å; K316-D338 PolarHBondContact N-O 3.36Å
317Q83.7Confident88Confident26 Ų2645 Ų4512%0.12123%0.232CC..  trans-138.5142.4-173.3-77.9176.3-8.300110.6V314 I315 A339 F340V314-Q317 HydrophobicContact CG1-CB 3.92Å; I315-Q317 WeakPolarHBondContact O-CG 3.22Å; I315-Q317 PolarHBondContact O-N 3.13Å; Q317-A339 WeakPolarHBondContact O-CA 3.38Å; Q317-F340 PolarHBondContact O-N 2.89Å; Q317-F340 VanDerWaalsContact O-N 3.11Å
318T85.2Confident88.1Confident25 Ų2543.5 Ų43.515%0.15323%0.232CC..EExtended strand (participates in β ladder)trans-99.5128.6167.9-66.60000109.6F340 Y342 F483 S554 L555T318-F340 CarbonylContact C-O 3.59Å; T318-F340 VanDerWaalsContact CA-O 3.31Å; T318-F340 WeakPolarHBondContact CA-O 3.48Å; T318-F340 HydrophobicContact CG2-CB 4.05Å; T318-F340 WeakPolarHBondContact OG1-CB 3.39Å; T318-F340 WeakPolarHBondContact OG1-CD2 3.41Å; T318-Y342 HydrophobicContact CG2-CD2 4.38Å; T318-Y342 HydrophobicContact CG2-CE2 4.01Å; T318-F483 HydrophobicContact CG2-CZ 4.45Å; T318-S554 VanDerWaalsContact OG1-CB 3.29Å; T318-S554 WeakPolarHBondContact OG1-CB 3.47Å; T318-S554 PolarHBondContact OG1-OG 3Å; T318-L555 HydrophobicContact CG2-CD2 3.83Å
319L86.6Confident88.2Confident20 Ų2043.1 Ų43.111%0.10523%0.231CC..EExtended strand (participates in β ladder)trans-128.3119.2-176.4169.160.7000108.4W282 I295 M311 F340 I341 Y342W282-L319 HydrophobicContact CB-CD1 4.47Å; W282-L319 HydrophobicContact CD2-CD1 3.97Å; W282-L319 HydrophobicContact CE3-CD1 3.12Å; W282-L319 HydrophobicContact CE3-CD2 3.54Å; W282-L319 HydrophobicContact CE3-CG 3.85Å; W282-L319 HydrophobicContact CZ3-CD1 3.58Å; W282-L319 HydrophobicContact CZ3-CD2 3.33Å; W282-L319 HydrophobicContact CZ3-CG 3.86Å; I295-L319 HydrophobicContact CD1-CD2 4.48Å; M311-L319 HydrophobicContact SD-CD2 4.09Å; L319-F340 PolarHBondContact N-O 2.77Å; L319-I341 HydrophobicContact CD2-CG2 4.16Å; L319-I341 CarbonylContact O-C 3.54Å; L319-I341 WeakPolarHBondContact O-CA 3.45Å; L319-Y342 PolarHBondContact O-N 2.96Å
320A85.5Confident88.3Confident38 Ų3843.4 Ų43.431%0.31423%0.232SC..EExtended strand (participates in β ladder)trans-125.9130.3174.500000110.9Y342 F483A320-Y342 CarbonylContact C-O 3.41Å; A320-Y342 WeakPolarHBondContact CA-O 3.37Å; A320-Y342 HydrophobicContact CB-CD2 4.38Å; A320-F483 HydrophobicContact CB-CD1 3.82Å; A320-F483 HydrophobicContact CB-CD2 3.8Å; A320-F483 HydrophobicContact CB-CE1 3.35Å; A320-F483 HydrophobicContact CB-CE2 3.34Å; A320-F483 HydrophobicContact CB-CG 4.05Å; A320-F483 HydrophobicContact CB-CZ 3.12Å
321K84.8Confident88.5Confident78 Ų7842.9 Ų42.934%0.33923%0.229SC..EExtended strand (participates in β ladder)trans-145.6124.8179.3-162.160.3174.4164.30112.7W282 L326 Y342 L343 L344W282-K321 HydrophobicContact CH2-CB 4.34Å; W282-K321 HydrophobicContact CH2-CG 4.31Å; W282-K321 HydrophobicContact CZ2-CG 4.1Å; K321-L326 HydrophobicContact CB-CD1 4.21Å; K321-L326 HydrophobicContact CG-CD1 3.98Å; K321-Y342 PolarHBondContact N-O 3.2Å; K321-L343 HydrophobicContact CB-CD2 4.33Å; K321-L344 PolarHBondContact O-N 3.35Å
322T84.1Confident88.6Confident64 Ų6443.8 Ų43.839%0.39323%0.233SC..  trans-113.3124.5159.6-54.30000107.1L344 S345 M485T322-L344 WeakPolarHBondContact CG2-O 3.39Å; T322-L344 PolarHBondContact OG1-O 3.34Å; T322-S345 WeakPolarHBondContact CA-OG 3.24Å; T322-M485 HydrophobicContact CG2-CE 3.79Å; T322-M485 WeakPolarHBondContact OG1-CE 3.24Å
323S84.1Confident88.9Confident24 Ų2443.1 Ų43.117%0.16823%0.229CC..  trans-168.1139.7176.2-174.40000112.6K325 L326 S345S323-K325 PolarHBondContact O-N 2.89Å; S323-K325 PolarHBondContact OG-N 2.84Å; S323-L326 WeakPolarHBondContact O-CB 3.22Å; S323-L326 PolarHBondContact O-N 2.75Å; S323-S345 PolarHBondContact N-OG 2.89Å
324D83.7Confident89.2Confident143 Ų14341.5 Ų41.577%0.76522%0.221SC*.THydrogen-bonded Turntrans-55.8-20.2170.1-51-30.3000113.9L326 T327D324-L326 PolarHBondContact O-N 3.49Å; D324-T327 WeakPolarHBondContact CA-OG1 3Å; D324-T327 WeakPolarHBondContact O-CB 3.4Å; D324-T327 PolarHBondContact O-N 3.13Å; D324-T327 VanDerWaalsContact O-N 3.16Å; D324-T327 PolarHBondContact O-OG1 3.36Å
325K85.8Confident89.4Confident133 Ų13347.8 Ų47.858%0.57825%0.245SC*.THydrogen-bonded Turntrans-68.6-19.7176.5-64.5173.5-175.8165.30113.1T299 S323T299-K325 PolarHBondContact OG1-O 2.93Å; S323-K325 PolarHBondContact O-N 2.89Å; S323-K325 PolarHBondContact OG-N 2.84Å
326L89.8Confident89.6Confident5 Ų545 Ų453%0.02623%0.23CC..THydrogen-bonded Turntrans-93.5-15.2175.1-59.5-178.3000111.7V309 K321 S323 D324 G328 A329 I331 L343 L347V309-L326 HydrophobicContact CG1-CD2 4.43Å; V309-L326 HydrophobicContact CG2-CD2 3.87Å; K321-L326 HydrophobicContact CB-CD1 4.21Å; K321-L326 HydrophobicContact CG-CD1 3.98Å; S323-L326 WeakPolarHBondContact O-CB 3.22Å; S323-L326 PolarHBondContact O-N 2.75Å; D324-L326 PolarHBondContact O-N 3.49Å; L326-G328 PolarHBondContact O-N 3Å; L326-A329 VanDerWaalsContact O-CB 3.31Å; L326-A329 WeakPolarHBondContact O-CB 3.29Å; L326-A329 PolarHBondContact O-N 3.09Å; L326-I331 HydrophobicContact CD2-CD1 4.27Å; L326-L343 HydrophobicContact CD1-CD2 4.22Å; L326-L347 HydrophobicContact CB-CD2 4Å
327T93.1Very high90Very high53 Ų5340.4 Ų40.433%0.32521%0.214SC..THydrogen-bonded Turntrans-59.9121.9-174.3-57.40000111.7D324 A329 P346D324-T327 WeakPolarHBondContact CA-OG1 3Å; D324-T327 WeakPolarHBondContact O-CB 3.4Å; D324-T327 PolarHBondContact O-N 3.13Å; D324-T327 VanDerWaalsContact O-N 3.16Å; D324-T327 PolarHBondContact O-OG1 3.36Å; T327-A329 PolarHBondContact O-N 3.36Å; T327-P346 CarbonylContact C-O 3.48Å; T327-P346 WeakPolarHBondContact CA-O 3.46Å; T327-P346 HydrophobicContact CG2-CB 4.42Å; T327-P346 HydrophobicContact CG2-CG 4.38Å
328G93Very high90.3Very high25 Ų2541.5 Ų41.526%0.25822%0.221SC..THydrogen-bonded Turntrans66.320.1-179.100000114.7L326 P346 R348L326-G328 PolarHBondContact O-N 3Å; G328-P346 PolarHBondContact N-O 2.73Å; G328-R348 WeakPolarHBondContact O-CB 3.43Å
329A94.8Very high90.6Very high0 Ų040.3 Ų40.30%021%0.213CC..PPolyproline II helixtrans-91.2150.9175.400000112.5T299 K307 V309 L326 T327 I331 R348T299-A329 HydrophobicContact CG2-CB 4.06Å; K307-A329 HydrophobicContact CB-CB 4.02Å; V309-A329 HydrophobicContact CG2-CB 4.23Å; L326-A329 VanDerWaalsContact O-CB 3.31Å; L326-A329 WeakPolarHBondContact O-CB 3.29Å; L326-A329 PolarHBondContact O-N 3.09Å; T327-A329 PolarHBondContact O-N 3.36Å; A329-I331 HydrophobicContact CB-CD1 3.99Å; A329-R348 PolarHBondContact O-N 3.26Å
330N95.1Very high90.8Very high7 Ų740.5 Ų40.54%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-85117.5168.5-58-71.8000109.4L16 W165 G305 K307 M308 V309 S349L16-N330 HydrophobicContact CD2-CB 4.12Å; W165-N330 HydrophobicContact CH2-CB 4Å; G305-N330 PolarHBondContact O-ND2 3.33Å; K307-N330 PolarHBondContact O-N 3.48Å; K307-N330 PolarHBondContact O-ND2 3.44Å; K307-N330 VanDerWaalsContact O-ND2 3.07Å; M308-N330 CarbonylContact C-O 3.58Å; M308-N330 WeakPolarHBondContact CA-O 3.35Å; V309-N330 PolarHBondContact N-O 2.91Å; N330-S349 WeakPolarHBondContact CB-OG 3.24Å; N330-S349 PolarHBondContact OD1-OG 3.3Å
331I95.5Very high91.2Very high0 Ų038.7 Ų38.70%020%0.198CC..EExtended strand (participates in β ladder)trans-102.9130.5-174.6-47.6-60000110.4V309 M311 L326 A329 I333 L343 L347 S349 V350 S351V309-I331 HydrophobicContact CB-CD1 3.66Å; V309-I331 HydrophobicContact CG2-CD1 3.87Å; V309-I331 CarbonylContact O-C 3.53Å; V309-I331 WeakPolarHBondContact O-CA 3.44Å; M311-I331 HydrophobicContact CE-CG2 3.95Å; L326-I331 HydrophobicContact CD2-CD1 4.27Å; A329-I331 HydrophobicContact CB-CD1 3.99Å; I331-I333 HydrophobicContact CG2-CG1 4.1Å; I331-L343 HydrophobicContact CG2-CD1 3.83Å; I331-L347 HydrophobicContact CD1-CD2 4.12Å; I331-L347 HydrophobicContact CG1-CD1 4.07Å; I331-L347 HydrophobicContact CG1-CD2 3.83Å; I331-L347 HydrophobicContact CG1-CG 4.39Å; I331-S349 PolarHBondContact N-O 2.99Å; I331-V350 HydrophobicContact CB-CG1 4.36Å; I331-V350 HydrophobicContact CB-CG2 4.18Å; I331-V350 HydrophobicContact CG1-CG2 4.33Å; I331-V350 CarbonylContact O-C 3.53Å; I331-V350 WeakPolarHBondContact O-CA 3.44Å; I331-S351 PolarHBondContact O-N 2.97Å
332K95.1Very high91.6Very high19 Ų1935 Ų358%0.08318%0.183CC..EExtended strand (participates in β ladder)trans-114.9113.1169.2-173.8170.1-171.8164.30110W165 M270 V309 L310 M311 H334W165-K332 HydrophobicContact CB-CD 4.36Å; W165-K332 VanDerWaalsContact CB-NZ 3.25Å; W165-K332 HydrophobicContact CD2-CB 4.37Å; W165-K332 HydrophobicContact CD2-CD 3.69Å; W165-K332 HydrophobicContact CD2-CG 4.38Å; W165-K332 HydrophobicContact CE3-CB 4.32Å; W165-K332 HydrophobicContact CE3-CD 3.98Å; W165-K332 HydrophobicContact CG-CD 3.88Å; W165-K332 HydrophobicContact CH2-CB 3.75Å; W165-K332 HydrophobicContact CZ2-CB 3.8Å; W165-K332 HydrophobicContact CZ2-CG 4.39Å; W165-K332 HydrophobicContact CZ3-CB 4.02Å; M270-K332 HydrophobicContact CE-CD 3.94Å; M270-K332 HydrophobicContact SD-CD 4.16Å; V309-K332 PolarHBondContact O-N 3.17Å; L310-K332 WeakPolarHBondContact CA-O 3.47Å; L310-K332 HydrophobicContact CD1-CB 3.79Å; L310-K332 HydrophobicContact CD1-CD 3.93Å; L310-K332 HydrophobicContact CD1-CG 3.78Å; M311-K332 PolarHBondContact N-O 3.45Å; K332-H334 HydrophobicContact CG-CB 4.22Å
333I95.9Very high92.1Very high0 Ų032 Ų320%016%0.164CC..EExtended strand (participates in β ladder)trans-98.4114.8171.9-56.1176000106.7M311 I331 C336 I341 L343 V350 S351 V352 D353 V360M311-I333 CarbonylContact O-C 3.51Å; M311-I333 WeakPolarHBondContact O-CA 3.44Å; I331-I333 HydrophobicContact CG2-CG1 4.1Å; I333-C336 HydrophobicContact CG2-CB 4.3Å; I333-I341 HydrophobicContact CD1-CG2 4.2Å; I333-I341 HydrophobicContact CG2-CD1 3.75Å; I333-L343 HydrophobicContact CD1-CD1 4.17Å; I333-V350 HydrophobicContact CD1-CG1 4.31Å; I333-S351 PolarHBondContact N-O 3.47Å; I333-V352 HydrophobicContact CD1-CG2 4.35Å; I333-V352 WeakPolarHBondContact O-CA 3.37Å; I333-D353 PolarHBondContact O-N 3.46Å; I333-V360 HydrophobicContact CD1-CG1 3.65Å
334H94.4Very high92.6Very high28 Ų2830.9 Ų30.913%0.1316%0.156CC..EExtended strand (participates in β ladder)trans-136.7125.9-167.3172.7-108.1000113.1L310 M311 S312 Q313 K332 C336 D353L310-H334 HydrophobicContact CD1-CB 4.29Å; M311-H334 PolarHBondContact O-N 3.31Å; S312-H334 WeakPolarHBondContact CA-O 3.33Å; S312-H334 WeakPolarHBondContact CB-O 3.39Å; S312-H334 PolarHBondContact OG-ND1 3.47Å; S312-H334 PolarHBondContact OG-O 2.86Å; Q313-H334 PolarHBondContact N-O 2.95Å; K332-H334 HydrophobicContact CG-CB 4.22Å; H334-C336 VanDerWaalsContact C-N 3.35Å; H334-C336 PolarHBondContact O-N 2.82Å; H334-D353 VanDerWaalsContact CA-O 3.28Å; H334-D353 WeakPolarHBondContact CA-O 3.39Å; H334-D353 IonicContact CD2-OD2 3.68Å; H334-D353 PolarHBondContact CD2-OD2 3.37Å
335R92.8Very high93.2Very high132 Ų13224.2 Ų24.250%0.49812%0.12SC..SBendtrans56.844.1179.3-58176.5-168.7179.14.7113.2Q313 D353 K354Q313-R335 VanDerWaalsContact CA-O 3.31Å; Q313-R335 WeakPolarHBondContact CA-O 3.31Å; Q313-R335 PolarHBondContact N-O 3.2Å; R335-D353 PolarHBondContact N-O 3.07Å; R335-K354 VanDerWaalsContact CA-O 3.32Å; R335-K354 WeakPolarHBondContact CA-O 3.45Å; R335-K354 HydrophobicContact CG-CB 4.03Å
336C93.1Very high93.7Very high1 Ų118.3 Ų18.31%0.00710%0.096CC..  trans-92.4145.6171.6-58.60000109.9V314 I333 H334 I341 C355 R356V314-C336 HydrophobicContact CB-CB 4.21Å; V314-C336 CarbonylContact O-C 3.45Å; V314-C336 WeakPolarHBondContact O-CA 3.36Å; V314-C336 VanDerWaalsContact O-CB 3.31Å; V314-C336 WeakPolarHBondContact O-CB 3.4Å; I333-C336 HydrophobicContact CG2-CB 4.3Å; H334-C336 VanDerWaalsContact C-N 3.35Å; H334-C336 PolarHBondContact O-N 2.82Å; C336-I341 HydrophobicContact CB-CD1 4.18Å; C336-C355 CarbonylContact O-C 3.53Å; C336-C355 WeakPolarHBondContact O-CA 3.36Å; C336-R356 PolarHBondContact O-N 3.22Å
337S93.4Very high94Very high28 Ų2818.1 Ų18.120%0.19610%0.095CC..BIsolated β-bridgetrans-142.3146.117874.70000112.5V314 I315 K316 A339 R356V314-S337 PolarHBondContact O-N 3.32Å; I315-S337 WeakPolarHBondContact CA-O 3.47Å; I315-S337 WeakPolarHBondContact CG2-OG 3.28Å; K316-S337 PolarHBondContact N-O 3.43Å; K316-S337 VanDerWaalsContact N-O 3.08Å; S337-A339 PolarHBondContact O-N 3.1Å; S337-A339 VanDerWaalsContact O-N 3.13Å; S337-R356 VanDerWaalsContact CA-O 3.22Å; S337-R356 WeakPolarHBondContact CA-O 3.26Å
338D90.7Very high94.1Very high48 Ų4816.9 Ų16.926%0.2578%0.084SC..SBendtrans52.238.5177.5-46-79.3000111.9K316 R356 D357 S358K316-D338 WeakPolarHBondContact CA-O 3.33Å; K316-D338 HydrophobicContact CG-CB 3.71Å; K316-D338 PolarHBondContact N-O 3.36Å; D338-R356 PolarHBondContact N-O 3.34Å; D338-D357 WeakPolarHBondContact CA-O 3.45Å; D338-D357 PolarHBondContact N-O 2.83Å; D338-S358 PolarHBondContact N-OG 2.55Å
339A90.6Very high94.2Very high0 Ų015.8 Ų15.80%07%0.073CC..  trans-123.6146.6-168.200000112.2V314 Q317 S337 I341 S358 T359V314-A339 HydrophobicContact CB-CB 4.48Å; V314-A339 HydrophobicContact CG1-CB 4.01Å; Q317-A339 WeakPolarHBondContact O-CA 3.38Å; S337-A339 PolarHBondContact O-N 3.1Å; S337-A339 VanDerWaalsContact O-N 3.13Å; A339-I341 HydrophobicContact CB-CD1 4.45Å; A339-I341 HydrophobicContact CB-CG1 4.33Å; A339-S358 PolarHBondContact N-OG 2.78Å; A339-S358 CarbonylContact O-C 3.55Å; A339-S358 WeakPolarHBondContact O-CA 3.49Å; A339-S358 VanDerWaalsContact O-CB 3.24Å; A339-S358 WeakPolarHBondContact O-CB 3.3Å; A339-T359 PolarHBondContact O-N 2.9Å
340F91.1Very high94.4Very high25 Ų2516 Ų1611%0.117%0.073CC..EExtended strand (participates in β ladder)trans-111.7117170.8-56.9-95.8000108.5Q317 T318 L319 Y342 T359 E551Q317-F340 PolarHBondContact O-N 2.89Å; Q317-F340 VanDerWaalsContact O-N 3.11Å; T318-F340 CarbonylContact C-O 3.59Å; T318-F340 VanDerWaalsContact CA-O 3.31Å; T318-F340 WeakPolarHBondContact CA-O 3.48Å; T318-F340 HydrophobicContact CG2-CB 4.05Å; T318-F340 WeakPolarHBondContact OG1-CB 3.39Å; T318-F340 WeakPolarHBondContact OG1-CD2 3.41Å; L319-F340 PolarHBondContact N-O 2.77Å; F340-Y342 HydrophobicContact CB-CE2 3.74Å; F340-T359 CarbonylContact C-O 3.44Å; F340-T359 WeakPolarHBondContact CA-O 3.21Å; F340-E551 HydrophobicContact CD1-CB 4.42Å; F340-E551 HydrophobicContact CD1-CG 3.8Å; F340-E551 HydrophobicContact CE1-CB 3.71Å; F340-E551 VanDerWaalsContact CE1-CD 3.44Å; F340-E551 HydrophobicContact CE1-CG 3.5Å; F340-E551 VanDerWaalsContact CE1-CG 3.5Å; F340-E551 HydrophobicContact CE2-CB 3.94Å; F340-E551 HydrophobicContact CE2-CG 4.28Å; F340-E551 HydrophobicContact CG-CG 4.34Å; F340-E551 HydrophobicContact CZ-CB 3.45Å; F340-E551 VanDerWaalsContact CZ-CB 3.45Å; F340-E551 HydrophobicContact CZ-CG 3.78Å
341I93.5Very high94.4Very high0 Ų015.8 Ų15.80%07%0.073CC..EExtended strand (participates in β ladder)trans-123.4112.6-172.7-58.3173000108.9V314 L319 I333 C336 A339 L343 T359 V360 V361V314-I341 HydrophobicContact CB-CD1 4.42Å; L319-I341 HydrophobicContact CD2-CG2 4.16Å; L319-I341 CarbonylContact O-C 3.54Å; L319-I341 WeakPolarHBondContact O-CA 3.45Å; I333-I341 HydrophobicContact CD1-CG2 4.2Å; I333-I341 HydrophobicContact CG2-CD1 3.75Å; C336-I341 HydrophobicContact CB-CD1 4.18Å; A339-I341 HydrophobicContact CB-CD1 4.45Å; A339-I341 HydrophobicContact CB-CG1 4.33Å; I341-L343 HydrophobicContact CG2-CD1 4.39Å; I341-L343 HydrophobicContact CG2-CD2 4.23Å; I341-L343 HydrophobicContact CG2-CG 3.98Å; I341-T359 PolarHBondContact N-O 2.81Å; I341-V360 HydrophobicContact CB-CG2 4.45Å; I341-V360 CarbonylContact O-C 3.51Å; I341-V360 WeakPolarHBondContact O-CA 3.49Å; I341-V361 PolarHBondContact O-N 3.2Å
342Y94.3Very high94.5Very high1 Ų115.8 Ų15.80%0.0047%0.073CC..EExtended strand (participates in β ladder)trans-111.7110.7178-54.1-101.9000109.5T318 L319 A320 K321 F340 V361 F483 E551T318-Y342 HydrophobicContact CG2-CD2 4.38Å; T318-Y342 HydrophobicContact CG2-CE2 4.01Å; L319-Y342 PolarHBondContact O-N 2.96Å; A320-Y342 CarbonylContact C-O 3.41Å; A320-Y342 WeakPolarHBondContact CA-O 3.37Å; A320-Y342 HydrophobicContact CB-CD2 4.38Å; K321-Y342 PolarHBondContact N-O 3.2Å; F340-Y342 HydrophobicContact CB-CE2 3.74Å; Y342-V361 CarbonylContact C-O 3.54Å; Y342-V361 WeakPolarHBondContact CA-O 3.22Å; Y342-V361 HydrophobicContact CD1-CB 3.55Å; Y342-V361 HydrophobicContact CD1-CG1 4.07Å; Y342-V361 HydrophobicContact CD1-CG2 3.66Å; Y342-V361 HydrophobicContact CE1-CB 4.09Å; Y342-V361 HydrophobicContact CE1-CG2 3.64Å; Y342-V361 HydrophobicContact CG-CB 4.26Å; Y342-F483 AromaticContact CD1-CE2 3.84Å; Y342-F483 HydrophobicContact CD1-CE2 3.84Å; Y342-F483 AromaticContact CD2-CE2 3.53Å; Y342-F483 HydrophobicContact CD2-CE2 3.53Å; Y342-F483 AromaticContact CD2-CZ 3.84Å; Y342-F483 HydrophobicContact CD2-CZ 3.84Å; Y342-F483 HydrophobicContact CE1-CE2 4.22Å; Y342-F483 AromaticContact CE2-CE2 3.93Å; Y342-F483 HydrophobicContact CE2-CE2 3.93Å; Y342-F483 HydrophobicContact CE2-CZ 4.05Å; Y342-F483 HydrophobicContact CG-CD2 4.41Å; Y342-F483 AromaticContact CG-CE2 3.5Å; Y342-F483 HydrophobicContact CG-CE2 3.5Å; Y342-F483 VanDerWaalsContact CG-CE2 3.5Å; Y342-F483 HydrophobicContact CG-CZ 4.27Å; Y342-E551 PolarHBondContact OH-OE1 2.92Å
343L95.2Very high94.6Very high0 Ų015.1 Ų15.10%07%0.07CC..EExtended strand (participates in β ladder)trans-115.381.9177.2-57.9-178.1000109.3M311 K321 L326 I331 I333 I341 S345 L347 V361 L362 G363M311-L343 HydrophobicContact CE-CD1 3.69Å; M311-L343 HydrophobicContact CE-CD2 3.69Å; M311-L343 HydrophobicContact CE-CG 4.37Å; M311-L343 HydrophobicContact SD-CD1 4.03Å; M311-L343 HydrophobicContact SD-CD2 4.06Å; K321-L343 HydrophobicContact CB-CD2 4.33Å; L326-L343 HydrophobicContact CD1-CD2 4.22Å; I331-L343 HydrophobicContact CG2-CD1 3.83Å; I333-L343 HydrophobicContact CD1-CD1 4.17Å; I341-L343 HydrophobicContact CG2-CD1 4.39Å; I341-L343 HydrophobicContact CG2-CD2 4.23Å; I341-L343 HydrophobicContact CG2-CG 3.98Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.15Å; L343-S345 VanDerWaalsContact O-N 3.13Å; L343-L347 HydrophobicContact CB-CD1 4.27Å; L343-V361 PolarHBondContact N-O 3.35Å; L343-L362 HydrophobicContact CB-CD2 4.1Å; L343-L362 HydrophobicContact CD1-CD2 4.18Å; L343-L362 HydrophobicContact CG-CD2 4.42Å; L343-G363 PolarHBondContact O-N 3.24Å
344L94.8Very high94.5Very high1 Ų118.7 Ų18.71%0.0059%0.086CC..  trans-92.659.2-169-50.2176.6000110.4K321 T322 V361 Y422 H428 V481 F483 M485K321-L344 PolarHBondContact O-N 3.35Å; T322-L344 WeakPolarHBondContact CG2-O 3.39Å; T322-L344 PolarHBondContact OG1-O 3.34Å; L344-V361 HydrophobicContact CD2-CG1 3.91Å; L344-Y422 HydrophobicContact CB-CD1 4.37Å; L344-Y422 HydrophobicContact CB-CE1 4.22Å; L344-Y422 HydrophobicContact CD2-CD1 3.9Å; L344-Y422 HydrophobicContact CD2-CE1 4.02Å; L344-Y422 HydrophobicContact CG-CD1 4.48Å; L344-H428 PolarHBondContact O-CE1 2.79Å; L344-V481 HydrophobicContact CD1-CG1 3.53Å; L344-F483 HydrophobicContact CD1-CD2 4.38Å; L344-M485 HydrophobicContact CB-CE 4.39Å; L344-M485 HydrophobicContact CB-SD 4.29Å; L344-M485 HydrophobicContact CD1-SD 3.63Å
345S95.3Very high94.6Very high2 Ų217.4 Ų17.41%0.0148%0.08CC..SBendtrans-139.4161.4178.4-58.90000109.9T322 S323 L343 L347T322-S345 WeakPolarHBondContact CA-OG 3.24Å; S323-S345 PolarHBondContact N-OG 2.89Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.15Å; L343-S345 VanDerWaalsContact O-N 3.13Å; S345-L347 WeakPolarHBondContact O-CG 3.49Å; S345-L347 PolarHBondContact O-N 3Å
346P96.6Very high94.8Very high10 Ų1017.8 Ų17.87%0.0658%0.081CC..  trans-70.4113.7176.6-10.123.6000110.9T327 G328 H428 V432T327-P346 CarbonylContact C-O 3.48Å; T327-P346 WeakPolarHBondContact CA-O 3.46Å; T327-P346 HydrophobicContact CG2-CB 4.42Å; T327-P346 HydrophobicContact CG2-CG 4.38Å; G328-P346 PolarHBondContact N-O 2.73Å; P346-H428 HydrophobicContact CG-CB 3.94Å; P346-V432 HydrophobicContact CB-CG1 3.55Å
347L96.6Very high94.8Very high0 Ų021.1 Ų21.10%010%0.099CC..EExtended strand (participates in β ladder)trans-104.4153.2-173.8-57176.4000111.1L326 I331 L343 S345 V350 L362 P364 V365 Q366L326-L347 HydrophobicContact CB-CD2 4Å; I331-L347 HydrophobicContact CD1-CD2 4.12Å; I331-L347 HydrophobicContact CG1-CD1 4.07Å; I331-L347 HydrophobicContact CG1-CD2 3.83Å; I331-L347 HydrophobicContact CG1-CG 4.39Å; L343-L347 HydrophobicContact CB-CD1 4.27Å; S345-L347 WeakPolarHBondContact O-CG 3.49Å; S345-L347 PolarHBondContact O-N 3Å; L347-V350 HydrophobicContact CB-CG2 4.18Å; L347-V350 HydrophobicContact CD1-CG2 3.39Å; L347-V350 HydrophobicContact CG-CG2 4.4Å; L347-L362 HydrophobicContact CD1-CD2 4.24Å; L347-P364 PolarHBondContact N-O 3.32Å; L347-V365 HydrophobicContact CB-CG1 4.48Å; L347-V365 HydrophobicContact CB-CG2 4.24Å; L347-V365 HydrophobicContact CD1-CG2 4.36Å; L347-V365 WeakPolarHBondContact O-CA 3.38Å; L347-Q366 PolarHBondContact O-N 3.4Å
348R94.7Very high94.9Very high28 Ų2820 Ų2011%0.1069%0.091CC..EExtended strand (participates in β ladder)trans-79-51.4173.1-178.361.6-177-81.6-2.1111.2E13 G328 A329 T367E13-R348 IonicContact OE1-CZ 3.73Å; E13-R348 IonicContact OE1-NH1 3.95Å; E13-R348 PolarHBondContact OE1-NH1 2.96Å; E13-R348 IonicContact OE1-NH2 3.64Å; E13-R348 PolarHBondContact OE1-NH2 3.41Å; G328-R348 WeakPolarHBondContact O-CB 3.43Å; A329-R348 PolarHBondContact O-N 3.26Å; R348-T367 VanDerWaalsContact NE-CG2 3.32Å; R348-T367 PolarHBondContact O-N 3.46Å; R348-T367 PolarHBondContact O-OG1 2.9Å
349S95.8Very high95.1Very high2 Ų218.2 Ų18.21%0.0148%0.082CC..EExtended strand (participates in β ladder)trans-153.7156.6178.170.10000110.6N330 I331 T367 S368N330-S349 WeakPolarHBondContact CB-OG 3.24Å; N330-S349 PolarHBondContact OD1-OG 3.3Å; I331-S349 PolarHBondContact N-O 2.99Å; S349-T367 WeakPolarHBondContact CB-OG1 3.41Å; S349-S368 WeakPolarHBondContact CA-O 3.31Å
350V97.7Very high95.4Very high3 Ų318.2 Ų18.22%0.0188%0.082CC..EExtended strand (participates in β ladder)trans-135.8134.3176.3-175.20000110.5I331 I333 L347 V352 L362 V365 S368 V369 H370I331-V350 HydrophobicContact CB-CG1 4.36Å; I331-V350 HydrophobicContact CB-CG2 4.18Å; I331-V350 HydrophobicContact CG1-CG2 4.33Å; I331-V350 CarbonylContact O-C 3.53Å; I331-V350 WeakPolarHBondContact O-CA 3.44Å; I333-V350 HydrophobicContact CD1-CG1 4.31Å; L347-V350 HydrophobicContact CB-CG2 4.18Å; L347-V350 HydrophobicContact CD1-CG2 3.39Å; L347-V350 HydrophobicContact CG-CG2 4.4Å; V350-V352 HydrophobicContact CG1-CG2 4.28Å; V350-L362 HydrophobicContact CB-CD1 3.97Å; V350-L362 HydrophobicContact CG1-CD1 3.81Å; V350-L362 HydrophobicContact CG1-CD2 4.13Å; V350-L362 HydrophobicContact CG2-CD1 3.99Å; V350-L362 HydrophobicContact CG2-CD2 4.28Å; V350-V365 HydrophobicContact CG2-CG1 4.12Å; V350-V365 HydrophobicContact CG2-CG2 3.85Å; V350-S368 PolarHBondContact N-O 2.86Å; V350-V369 HydrophobicContact CB-CG2 4.35Å; V350-V369 CarbonylContact O-C 3.6Å; V350-V369 VanDerWaalsContact O-CA 3.32Å; V350-V369 WeakPolarHBondContact O-CA 3.39Å; V350-H370 PolarHBondContact O-N 3.05Å
351S96.5Very high95.7Very high3 Ų317 Ų172%0.0218%0.077CC..EExtended strand (participates in β ladder)trans-121.5123.2170.8-173.60000110.3W165 I331 I333 H370W165-S351 PolarHBondContact NE1-OG 2.84Å; I331-S351 PolarHBondContact O-N 2.97Å; I333-S351 PolarHBondContact N-O 3.47Å; S351-H370 CarbonylContact C-O 3.56Å; S351-H370 VanDerWaalsContact CA-O 3.28Å; S351-H370 WeakPolarHBondContact CA-O 3.32Å
352V97.6Very high95.9Very high0 Ų017.1 Ų17.10%08%0.077CC..EExtended strand (participates in β ladder)trans-106.4104.4174.9-171.10000107.7I333 V350 C355 V360 H370 I371 H372 C374 V377I333-V352 HydrophobicContact CD1-CG2 4.35Å; I333-V352 WeakPolarHBondContact O-CA 3.37Å; V350-V352 HydrophobicContact CG1-CG2 4.28Å; V352-C355 HydrophobicContact CG1-CB 3.95Å; V352-V360 HydrophobicContact CG1-CG2 4.43Å; V352-V360 HydrophobicContact CG2-CG1 4.48Å; V352-H370 PolarHBondContact N-O 3.22Å; V352-I371 WeakPolarHBondContact O-CA 3.38Å; V352-H372 PolarHBondContact O-N 2.77Å; V352-C374 PolarHBondContact O-SG 2.91Å; V352-C374 VanDerWaalsContact O-SG 3.32Å; V352-V377 HydrophobicContact CG1-CG1 4.43Å
353D95.2Very high96Very high5 Ų517 Ų173%0.0278%0.077CC..EExtended strand (participates in β ladder)trans-122.2129-168.6-173.825000111.1I333 H334 R335 C355 H372I333-D353 PolarHBondContact O-N 3.46Å; H334-D353 VanDerWaalsContact CA-O 3.28Å; H334-D353 WeakPolarHBondContact CA-O 3.39Å; H334-D353 IonicContact CD2-OD2 3.68Å; H334-D353 PolarHBondContact CD2-OD2 3.37Å; R335-D353 PolarHBondContact N-O 3.07Å; D353-C355 PolarHBondContact O-N 3.3Å; D353-C355 PolarHBondContact O-SG 3.2Å; D353-C355 VanDerWaalsContact O-SG 3.34Å; D353-H372 WeakPolarHBondContact CA-O 3.2Å; D353-H372 IonicContact OD1-CD2 3.99Å
354K95.1Very high96.2Very high75 Ų7517 Ų1733%0.3268%0.077SC..SBendtrans56.734175.8-63.2172.1-173-172.80114R335 H372 S373R335-K354 VanDerWaalsContact CA-O 3.32Å; R335-K354 WeakPolarHBondContact CA-O 3.45Å; R335-K354 HydrophobicContact CG-CB 4.03Å; K354-H372 PolarHBondContact N-O 2.88Å; K354-S373 VanDerWaalsContact CA-O 3.3Å; K354-S373 WeakPolarHBondContact CA-O 3.48Å
355C96.1Very high96.3Very high1 Ų117 Ų171%0.0078%0.077CC..  trans-95.9152179.6-62.20000111.6C336 V352 D353 C374 Q375 V377C336-C355 CarbonylContact O-C 3.53Å; C336-C355 WeakPolarHBondContact O-CA 3.36Å; V352-C355 HydrophobicContact CG1-CB 3.95Å; D353-C355 PolarHBondContact O-N 3.3Å; D353-C355 PolarHBondContact O-SG 3.2Å; D353-C355 VanDerWaalsContact O-SG 3.34Å; C355-C374 PolarHBondContact N-SG 2.63Å; C355-C374 VanDerWaalsContact N-SG 3.43Å; C355-C374 VanDerWaalsContact O-CA 3.28Å; C355-C374 WeakPolarHBondContact O-CA 3.42Å; C355-Q375 PolarHBondContact O-N 3.42Å; C355-V377 HydrophobicContact CB-CG2 4.07Å; C355-V377 WeakPolarHBondContact O-CG2 3.28Å
356R96.3Very high96.3Very high141 Ų14118.7 Ų18.753%0.5328%0.084SC..EExtended strand (participates in β ladder)trans-136.8143.5-177.5-58-171.6178.5170.6-3.2112.4C336 S337 D338 S358 Q375C336-R356 PolarHBondContact O-N 3.22Å; S337-R356 VanDerWaalsContact CA-O 3.22Å; S337-R356 WeakPolarHBondContact CA-O 3.26Å; D338-R356 PolarHBondContact N-O 3.34Å; R356-S358 PolarHBondContact O-N 3.24Å; R356-S358 PolarHBondContact O-OG 3.3Å; R356-Q375 CarbonylContact C-O 3.58Å; R356-Q375 VanDerWaalsContact CA-O 3.23Å; R356-Q375 WeakPolarHBondContact CA-O 3.47Å; R356-Q375 HydrophobicContact CG-CB 4.25Å
357D94.6Very high96.2Very high71 Ų7118.4 Ų18.438%0.388%0.083SC..EExtended strand (participates in β ladder)trans49.543168.7-52.4-61000112.6D338 Q375 N376D338-D357 WeakPolarHBondContact CA-O 3.45Å; D338-D357 PolarHBondContact N-O 2.83Å; D357-Q375 PolarHBondContact N-O 3.24Å; D357-N376 WeakPolarHBondContact CA-O 3.21Å; D357-N376 PolarHBondContact N-O 3.29Å; D357-N376 WeakPolarHBondContact OD1-CB 3.49Å; D357-N376 PolarHBondContact OD1-ND2 3.43Å
358S94.9Very high96.2Very high3 Ų319 Ų192%0.0219%0.087CC..EExtended strand (participates in β ladder)trans-132.2149.7-169.3-64.50000111.6D338 A339 R356 N376 V377 R378D338-S358 PolarHBondContact N-OG 2.55Å; A339-S358 PolarHBondContact N-OG 2.78Å; A339-S358 CarbonylContact O-C 3.55Å; A339-S358 WeakPolarHBondContact O-CA 3.49Å; A339-S358 VanDerWaalsContact O-CB 3.24Å; A339-S358 WeakPolarHBondContact O-CB 3.3Å; R356-S358 PolarHBondContact O-N 3.24Å; R356-S358 PolarHBondContact O-OG 3.3Å; S358-N376 PolarHBondContact N-O 2.97Å; S358-V377 VanDerWaalsContact O-CA 3.32Å; S358-V377 WeakPolarHBondContact O-CA 3.42Å; S358-R378 PolarHBondContact O-N 2.9Å
359T95.1Very high96.3Very high11 Ų1117.7 Ų17.77%0.0678%0.082CC..EExtended strand (participates in β ladder)trans-110127.6172.2-61.60000109.6A339 F340 I341 V361 R378A339-T359 PolarHBondContact O-N 2.9Å; F340-T359 CarbonylContact C-O 3.44Å; F340-T359 WeakPolarHBondContact CA-O 3.21Å; I341-T359 PolarHBondContact N-O 2.81Å; T359-V361 HydrophobicContact CG2-CG2 4.19Å; T359-R378 CarbonylContact C-O 3.54Å; T359-R378 WeakPolarHBondContact CA-O 3.4Å; T359-R378 HydrophobicContact CG2-CB 4.33Å; T359-R378 HydrophobicContact CG2-CG 4.49Å
360V97.4Very high96.4Very high1 Ų118.3 Ų18.31%0.0068%0.084CC..EExtended strand (participates in β ladder)trans-122.3114.7179.6-1750000109.1I333 I341 V352 L362 R378 V379 V380I333-V360 HydrophobicContact CD1-CG1 3.65Å; I341-V360 HydrophobicContact CB-CG2 4.45Å; I341-V360 CarbonylContact O-C 3.51Å; I341-V360 WeakPolarHBondContact O-CA 3.49Å; V352-V360 HydrophobicContact CG1-CG2 4.43Å; V352-V360 HydrophobicContact CG2-CG1 4.48Å; V360-L362 HydrophobicContact CG1-CD1 4.5Å; V360-L362 HydrophobicContact CG1-CD2 3.7Å; V360-L362 HydrophobicContact CG1-CG 4.01Å; V360-R378 PolarHBondContact N-O 3.29Å; V360-V379 HydrophobicContact CB-CG2 4.4Å; V360-V379 CarbonylContact O-C 3.43Å; V360-V379 VanDerWaalsContact O-CA 3.32Å; V360-V379 WeakPolarHBondContact O-CA 3.3Å; V360-V380 PolarHBondContact O-N 3.49Å
361V97.3Very high96.3Very high0 Ų018.1 Ų18.10%08%0.083CC..EExtended strand (participates in β ladder)trans-108.5125.9176.7-178.70000108.9I341 Y342 L343 L344 T359 V380 I420 L479I341-V361 PolarHBondContact O-N 3.2Å; Y342-V361 CarbonylContact C-O 3.54Å; Y342-V361 WeakPolarHBondContact CA-O 3.22Å; Y342-V361 HydrophobicContact CD1-CB 3.55Å; Y342-V361 HydrophobicContact CD1-CG1 4.07Å; Y342-V361 HydrophobicContact CD1-CG2 3.66Å; Y342-V361 HydrophobicContact CE1-CB 4.09Å; Y342-V361 HydrophobicContact CE1-CG2 3.64Å; Y342-V361 HydrophobicContact CG-CB 4.26Å; L343-V361 PolarHBondContact N-O 3.35Å; L344-V361 HydrophobicContact CD2-CG1 3.91Å; T359-V361 HydrophobicContact CG2-CG2 4.19Å; V361-V380 HydrophobicContact CG2-CB 4.36Å; V361-V380 HydrophobicContact CG2-CG2 4.39Å; V361-I420 HydrophobicContact CG1-CD1 3.3Å; V361-L479 HydrophobicContact CG2-CD2 4.33Å
362L97.9Very high96.2Very high1 Ų118.7 Ų18.71%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-119.9140.1-174-56.8174.6000110.3L343 L347 V350 V360 V365 V369 V379 V380 C381L343-L362 HydrophobicContact CB-CD2 4.1Å; L343-L362 HydrophobicContact CD1-CD2 4.18Å; L343-L362 HydrophobicContact CG-CD2 4.42Å; L347-L362 HydrophobicContact CD1-CD2 4.24Å; V350-L362 HydrophobicContact CB-CD1 3.97Å; V350-L362 HydrophobicContact CG1-CD1 3.81Å; V350-L362 HydrophobicContact CG1-CD2 4.13Å; V350-L362 HydrophobicContact CG2-CD1 3.99Å; V350-L362 HydrophobicContact CG2-CD2 4.28Å; V360-L362 HydrophobicContact CG1-CD1 4.5Å; V360-L362 HydrophobicContact CG1-CD2 3.7Å; V360-L362 HydrophobicContact CG1-CG 4.01Å; L362-V365 HydrophobicContact CB-CG2 4.28Å; L362-V365 HydrophobicContact CD1-CG2 4.33Å; L362-V369 HydrophobicContact CD1-CG1 4.1Å; L362-V369 HydrophobicContact CD1-CG2 3.93Å; L362-V379 HydrophobicContact CD1-CG1 4.3Å; L362-V380 PolarHBondContact N-O 3.39Å; L362-C381 HydrophobicContact CB-CB 4.08Å; L362-C381 HydrophobicContact CD1-CB 4.05Å; L362-C381 HydrophobicContact CG-CB 4.5Å
363G96.6Very high96.1Very high0 Ų020.1 Ų20.10%010%0.096CC..  trans-66.4176.2158.300000111.3L343 V365L343-G363 PolarHBondContact O-N 3.24Å; G363-V365 VanDerWaalsContact O-CG2 3.3Å; G363-V365 WeakPolarHBondContact O-CG2 3.47Å; G363-V365 PolarHBondContact O-N 2.87Å
364P97.6Very high96.1Very high0 Ų020 Ų200%010%0.095CC..  trans-54.3127-177.7-30.137.6000113.1L347 Y422 L425 H428 M429 V432 L434L347-P364 PolarHBondContact N-O 3.32Å; P364-Y422 WeakPolarHBondContact CD-OH 3.49Å; P364-L425 HydrophobicContact CG-CD1 3.74Å; P364-H428 HydrophobicContact CG-CB 3.79Å; P364-M429 HydrophobicContact CB-CG 4.13Å; P364-M429 HydrophobicContact CG-CB 4.22Å; P364-M429 HydrophobicContact CG-CG 3.43Å; P364-M429 VanDerWaalsContact CG-CG 3.43Å; P364-V432 HydrophobicContact CB-CG2 3.5Å; P364-L434 HydrophobicContact CB-CD1 4.47Å
365V97.6Very high96.2Very high0 Ų019.5 Ų19.50%09%0.094CC..EExtended strand (participates in β ladder)trans-110.4108.1-177.6-172.40000109.8L347 V350 L362 G363 T367 S368 V369 V382 A383 G384 L434L347-V365 HydrophobicContact CB-CG1 4.48Å; L347-V365 HydrophobicContact CB-CG2 4.24Å; L347-V365 HydrophobicContact CD1-CG2 4.36Å; L347-V365 WeakPolarHBondContact O-CA 3.38Å; V350-V365 HydrophobicContact CG2-CG1 4.12Å; V350-V365 HydrophobicContact CG2-CG2 3.85Å; L362-V365 HydrophobicContact CB-CG2 4.28Å; L362-V365 HydrophobicContact CD1-CG2 4.33Å; G363-V365 VanDerWaalsContact O-CG2 3.3Å; G363-V365 WeakPolarHBondContact O-CG2 3.47Å; G363-V365 PolarHBondContact O-N 2.87Å; V365-T367 VanDerWaalsContact C-N 3.33Å; V365-T367 PolarHBondContact O-N 3.04Å; V365-S368 WeakPolarHBondContact CG1-O 3.47Å; V365-V369 HydrophobicContact CB-CG2 3.85Å; V365-V369 HydrophobicContact CG1-CG2 3.95Å; V365-V369 HydrophobicContact CG2-CG2 3.64Å; V365-V382 PolarHBondContact N-O 2.74Å; V365-A383 HydrophobicContact CB-CB 4.13Å; V365-A383 VanDerWaalsContact O-CA 3.3Å; V365-A383 WeakPolarHBondContact O-CA 3.27Å; V365-G384 PolarHBondContact O-N 3.16Å; V365-L434 WeakPolarHBondContact O-CD1 3.23Å
366Q95.8Very high96.2Very high37 Ų3723.3 Ų23.317%0.17311%0.114CC..EExtended strand (participates in β ladder)trans-52.4-46-171-169.1-172.6-31.800113.9L347 V432L347-Q366 PolarHBondContact O-N 3.4Å; Q366-V432 HydrophobicContact CB-CB 4.12Å; Q366-V432 HydrophobicContact CB-CG1 4.37Å; Q366-V432 HydrophobicContact CG-CB 4.3Å
367T94.8Very high96.3Very high5 Ų516.7 Ų16.73%0.0319%0.089CC..EExtended strand (participates in β ladder)trans-107.4-71.6-171.559.20000112.6L17 R348 S349 V365 G384 R385L17-T367 HydrophobicContact CD1-CG2 4.17Å; R348-T367 VanDerWaalsContact NE-CG2 3.32Å; R348-T367 PolarHBondContact O-N 3.46Å; R348-T367 PolarHBondContact O-OG1 2.9Å; S349-T367 WeakPolarHBondContact CB-OG1 3.41Å; V365-T367 VanDerWaalsContact C-N 3.33Å; V365-T367 PolarHBondContact O-N 3.04Å; T367-G384 CarbonylContact O-C 3.59Å; T367-G384 WeakPolarHBondContact O-CA 3.3Å; T367-R385 PolarHBondContact O-N 3.26Å
368S94.9Very high96.4Very high13 Ų1317.6 Ų17.69%0.0919%0.088CC..EExtended strand (participates in β ladder)trans-150149.1-175.961.50000114.7S349 V350 V365 R385S349-S368 WeakPolarHBondContact CA-O 3.31Å; V350-S368 PolarHBondContact N-O 2.86Å; V365-S368 WeakPolarHBondContact CG1-O 3.47Å; S368-R385 CarbonylContact C-O 3.51Å; S368-R385 WeakPolarHBondContact CA-O 3.44Å
369V98Very high96.6Very high0 Ų017.4 Ų17.40%09%0.087CC..EExtended strand (participates in β ladder)trans-110.1120165.2176.30000108.2V350 L362 V365 I371 V379 C381 A383 R385 V386 L387V350-V369 HydrophobicContact CB-CG2 4.35Å; V350-V369 CarbonylContact O-C 3.6Å; V350-V369 VanDerWaalsContact O-CA 3.32Å; V350-V369 WeakPolarHBondContact O-CA 3.39Å; L362-V369 HydrophobicContact CD1-CG1 4.1Å; L362-V369 HydrophobicContact CD1-CG2 3.93Å; V365-V369 HydrophobicContact CB-CG2 3.85Å; V365-V369 HydrophobicContact CG1-CG2 3.95Å; V365-V369 HydrophobicContact CG2-CG2 3.64Å; V369-I371 HydrophobicContact CG1-CG1 4.41Å; V369-V379 HydrophobicContact CG1-CG1 4.23Å; V369-C381 HydrophobicContact CG2-CB 4.1Å; V369-A383 HydrophobicContact CB-CB 4.31Å; V369-A383 HydrophobicContact CG2-CB 3.68Å; V369-R385 PolarHBondContact N-O 3.27Å; V369-V386 CarbonylContact O-C 3.5Å; V369-V386 WeakPolarHBondContact O-CA 3.38Å; V369-L387 PolarHBondContact O-N 3.32Å
370H96.5Very high96.8Very high14 Ų1416.9 Ų16.97%0.0658%0.083CC..EExtended strand (participates in β ladder)trans-117.3116.9-178.3-179.8-133.7000111.8Q21 V350 S351 V352 H372 L387Q21-H370 PolarHBondContact NE2-CE1 3.31Å; Q21-H370 PolarHBondContact NE2-ND1 3.31Å; Q21-H370 PolarHBondContact OE1-CE1 3.02Å; V350-H370 PolarHBondContact O-N 3.05Å; S351-H370 CarbonylContact C-O 3.56Å; S351-H370 VanDerWaalsContact CA-O 3.28Å; S351-H370 WeakPolarHBondContact CA-O 3.32Å; V352-H370 PolarHBondContact N-O 3.22Å; H370-H372 AromaticContact CE1-CG 3.94Å; H370-H372 AromaticContact CE1-ND1 3.93Å; H370-H372 AromaticContact NE2-ND1 3.88Å; H370-L387 CarbonylContact C-O 3.57Å; H370-L387 WeakPolarHBondContact CA-O 3.47Å; H370-L387 HydrophobicContact CB-CB 4.31Å
371I97.3Very high96.8Very high0 Ų016.9 Ų16.90%08%0.083CC..EExtended strand (participates in β ladder)trans-105.2117.7-179.8-56.2167.8000108.3V352 V369 C374 V379 L387 I388 G389 V396V352-I371 WeakPolarHBondContact O-CA 3.38Å; V369-I371 HydrophobicContact CG1-CG1 4.41Å; I371-C374 HydrophobicContact CG2-CB 3.88Å; I371-V379 HydrophobicContact CD1-CB 3.83Å; I371-V379 HydrophobicContact CD1-CG1 4.25Å; I371-V379 HydrophobicContact CD1-CG2 3.54Å; I371-V379 HydrophobicContact CG1-CG2 4.03Å; I371-L387 PolarHBondContact N-O 3.07Å; I371-I388 HydrophobicContact CB-CG2 4.34Å; I371-I388 HydrophobicContact CD1-CG1 4.34Å; I371-I388 HydrophobicContact CG2-CG2 4.5Å; I371-I388 CarbonylContact O-C 3.55Å; I371-I388 WeakPolarHBondContact O-CA 3.32Å; I371-G389 PolarHBondContact O-N 3.13Å; I371-V396 HydrophobicContact CD1-CG1 4.38Å; I371-V396 HydrophobicContact CD1-CG2 3.48Å; I371-V396 VanDerWaalsContact CD1-CG2 3.48Å
372H94.3Very high96.8Very high14 Ų1416.9 Ų16.97%0.0658%0.083CC..EExtended strand (participates in β ladder)trans-137.6137-173.2-168.183.1000112.9V352 D353 K354 H370 C374 G389V352-H372 PolarHBondContact O-N 2.77Å; D353-H372 WeakPolarHBondContact CA-O 3.2Å; D353-H372 IonicContact OD1-CD2 3.99Å; K354-H372 PolarHBondContact N-O 2.88Å; H370-H372 AromaticContact CE1-CG 3.94Å; H370-H372 AromaticContact CE1-ND1 3.93Å; H370-H372 AromaticContact NE2-ND1 3.88Å; H372-C374 PolarHBondContact O-N 3.2Å; H372-C374 VanDerWaalsContact O-N 3.13Å; H372-C374 PolarHBondContact O-SG 3.35Å; H372-C374 VanDerWaalsContact O-SG 3.37Å; H372-G389 VanDerWaalsContact CA-O 3.31Å; H372-G389 WeakPolarHBondContact CA-O 3.35Å
373S94Very high96.8Very high31 Ų3116.9 Ų16.922%0.2178%0.083CC..SBendtrans54.131.8177.8-67.90000113.5K354 G389 A390 S391K354-S373 VanDerWaalsContact CA-O 3.3Å; K354-S373 WeakPolarHBondContact CA-O 3.48Å; S373-G389 PolarHBondContact N-O 2.83Å; S373-G389 VanDerWaalsContact N-O 3.16Å; S373-A390 WeakPolarHBondContact CA-O 3.48Å; S373-A390 PolarHBondContact N-O 3.13Å; S373-S391 PolarHBondContact N-OG 3.32Å
374C96.3Very high96.8Very high2 Ų216.9 Ų16.91%0.0148%0.084CC..  trans-99153-176.6-74.50000111.9V352 C355 I371 H372 V377 S391 S392V352-C374 PolarHBondContact O-SG 2.91Å; V352-C374 VanDerWaalsContact O-SG 3.32Å; C355-C374 PolarHBondContact N-SG 2.63Å; C355-C374 VanDerWaalsContact N-SG 3.43Å; C355-C374 VanDerWaalsContact O-CA 3.28Å; C355-C374 WeakPolarHBondContact O-CA 3.42Å; I371-C374 HydrophobicContact CG2-CB 3.88Å; H372-C374 PolarHBondContact O-N 3.2Å; H372-C374 VanDerWaalsContact O-N 3.13Å; H372-C374 PolarHBondContact O-SG 3.35Å; H372-C374 VanDerWaalsContact O-SG 3.37Å; C374-V377 HydrophobicContact CB-CB 4.24Å; C374-V377 HydrophobicContact CB-CG2 3.88Å; C374-S391 PolarHBondContact N-OG 2.85Å; C374-S391 VanDerWaalsContact N-OG 3.14Å; C374-S391 CarbonylContact O-C 3.54Å; C374-S391 WeakPolarHBondContact O-CA 3.33Å; C374-S391 WeakPolarHBondContact O-CB 3.49Å; C374-S392 PolarHBondContact O-N 3.31Å
375Q97.3Very high96.7Very high64 Ų6417.2 Ų17.230%0.2999%0.085SC..EExtended strand (participates in β ladder)trans-134.6126.6178.7177179.6-17.200110.5C355 R356 D357 V377 S392C355-Q375 PolarHBondContact O-N 3.42Å; R356-Q375 CarbonylContact C-O 3.58Å; R356-Q375 VanDerWaalsContact CA-O 3.23Å; R356-Q375 WeakPolarHBondContact CA-O 3.47Å; R356-Q375 HydrophobicContact CG-CB 4.25Å; D357-Q375 PolarHBondContact N-O 3.24Å; Q375-V377 VanDerWaalsContact C-N 3.31Å; Q375-V377 PolarHBondContact O-N 2.91Å; Q375-S392 CarbonylContact C-O 3.57Å; Q375-S392 VanDerWaalsContact CA-O 3.29Å; Q375-S392 WeakPolarHBondContact CA-O 3.36Å
376N96.4Very high96.7Very high81 Ų8117.2 Ų17.243%0.4339%0.085SC..EExtended strand (participates in β ladder)trans53.247.1179.5-168.136.4000112.7D357 S358 S392 R393D357-N376 WeakPolarHBondContact CA-O 3.21Å; D357-N376 PolarHBondContact N-O 3.29Å; D357-N376 WeakPolarHBondContact OD1-CB 3.49Å; D357-N376 PolarHBondContact OD1-ND2 3.43Å; S358-N376 PolarHBondContact N-O 2.97Å; N376-S392 PolarHBondContact N-O 3.06Å; N376-R393 VanDerWaalsContact CA-O 3.32Å; N376-R393 WeakPolarHBondContact CA-O 3.43Å
377V97.8Very high96.7Very high2 Ų216.4 Ų16.41%0.0128%0.082CC..EExtended strand (participates in β ladder)trans-108.5132.4179.4175.40000109.9V352 C355 S358 C374 Q375 V379 C394 T395V352-V377 HydrophobicContact CG1-CG1 4.43Å; C355-V377 HydrophobicContact CB-CG2 4.07Å; C355-V377 WeakPolarHBondContact O-CG2 3.28Å; S358-V377 VanDerWaalsContact O-CA 3.32Å; S358-V377 WeakPolarHBondContact O-CA 3.42Å; C374-V377 HydrophobicContact CB-CB 4.24Å; C374-V377 HydrophobicContact CB-CG2 3.88Å; Q375-V377 VanDerWaalsContact C-N 3.31Å; Q375-V377 PolarHBondContact O-N 2.91Å; V377-V379 HydrophobicContact CG1-CG2 3.84Å; V377-C394 CarbonylContact O-C 3.36Å; V377-C394 WeakPolarHBondContact O-CA 3.31Å; V377-C394 WeakPolarHBondContact O-CB 3.4Å; V377-T395 PolarHBondContact O-N 2.91Å
378R97.7Very high96.7Very high90 Ų9016.2 Ų16.234%0.348%0.08SC..EExtended strand (participates in β ladder)trans-99.7123.4170.7-174.4-179.3-62.5137.31.2109.6S358 T359 V360 T395S358-R378 PolarHBondContact O-N 2.9Å; T359-R378 CarbonylContact C-O 3.54Å; T359-R378 WeakPolarHBondContact CA-O 3.4Å; T359-R378 HydrophobicContact CG2-CB 4.33Å; T359-R378 HydrophobicContact CG2-CG 4.49Å; V360-R378 PolarHBondContact N-O 3.29Å; R378-T395 CarbonylContact C-O 3.37Å; R378-T395 VanDerWaalsContact CA-O 3.3Å; R378-T395 WeakPolarHBondContact CA-O 3.49Å
379V98.4Very high96.6Very high0 Ų015.6 Ų15.60%08%0.076CC..EExtended strand (participates in β ladder)trans-117.7129.8175-176.50000109.8V360 L362 V369 I371 V377 C381 T395 V396 H397V360-V379 HydrophobicContact CB-CG2 4.4Å; V360-V379 CarbonylContact O-C 3.43Å; V360-V379 VanDerWaalsContact O-CA 3.32Å; V360-V379 WeakPolarHBondContact O-CA 3.3Å; L362-V379 HydrophobicContact CD1-CG1 4.3Å; V369-V379 HydrophobicContact CG1-CG1 4.23Å; I371-V379 HydrophobicContact CD1-CB 3.83Å; I371-V379 HydrophobicContact CD1-CG1 4.25Å; I371-V379 HydrophobicContact CD1-CG2 3.54Å; I371-V379 HydrophobicContact CG1-CG2 4.03Å; V377-V379 HydrophobicContact CG1-CG2 3.84Å; V379-C381 HydrophobicContact CG1-CB 4.42Å; V379-T395 PolarHBondContact N-O 2.81Å; V379-V396 WeakPolarHBondContact O-CA 3.22Å; V379-H397 PolarHBondContact O-N 3.21Å
380V98.2Very high96.2Very high0 Ų017.5 Ų17.50%09%0.092CC..EExtended strand (participates in β ladder)trans-119.8116.9175.1-171.80000108.3V360 V361 L362 H397 F418 I420V360-V380 PolarHBondContact O-N 3.49Å; V361-V380 HydrophobicContact CG2-CB 4.36Å; V361-V380 HydrophobicContact CG2-CG2 4.39Å; L362-V380 PolarHBondContact N-O 3.39Å; V380-H397 WeakPolarHBondContact CA-O 3.09Å; V380-H397 HydrophobicContact CB-CB 4.35Å; V380-H397 HydrophobicContact CG1-CB 4.06Å; V380-H397 HydrophobicContact CG2-CB 4.12Å; V380-F418 HydrophobicContact CG1-CD2 3.85Å; V380-F418 HydrophobicContact CG1-CE2 3.83Å; V380-I420 HydrophobicContact CB-CD1 4.48Å; V380-I420 HydrophobicContact CG1-CD1 3.73Å; V380-I420 HydrophobicContact CG1-CG1 3.85Å; V380-I420 HydrophobicContact CG1-CG2 3.93Å
381C98Very high96.1Very high0 Ų016.9 Ų16.90%09%0.089CC..EExtended strand (participates in β ladder)trans-152.8149.2-172.961.80000114.4L362 V369 V379 H397 A398 L399L362-C381 HydrophobicContact CB-CB 4.08Å; L362-C381 HydrophobicContact CD1-CB 4.05Å; L362-C381 HydrophobicContact CG-CB 4.5Å; V369-C381 HydrophobicContact CG2-CB 4.1Å; V379-C381 HydrophobicContact CG1-CB 4.42Å; C381-H397 PolarHBondContact N-O 2.77Å; C381-A398 WeakPolarHBondContact O-CA 3.38Å; C381-L399 PolarHBondContact O-N 2.87Å; C381-L399 VanDerWaalsContact O-N 3.11Å
382V98.1Very high96Very high1 Ų118 Ų181%0.00610%0.097CC..EExtended strand (participates in β ladder)trans-100.5124.5158-177.60000106.9V365 L399 F418 M429 L434V365-V382 PolarHBondContact N-O 2.74Å; V382-L399 WeakPolarHBondContact CA-O 3.41Å; V382-L399 HydrophobicContact CG1-CB 4.29Å; V382-L399 HydrophobicContact CG1-CD2 4.06Å; V382-L399 HydrophobicContact CG2-CB 4.13Å; V382-F418 HydrophobicContact CG2-CD1 4.22Å; V382-F418 HydrophobicContact CG2-CD2 3.97Å; V382-F418 HydrophobicContact CG2-CE1 3.9Å; V382-F418 HydrophobicContact CG2-CE2 3.64Å; V382-F418 HydrophobicContact CG2-CG 4.24Å; V382-F418 HydrophobicContact CG2-CZ 3.59Å; V382-M429 HydrophobicContact CG1-CE 4.03Å; V382-M429 HydrophobicContact CG1-CG 4.35Å; V382-M429 HydrophobicContact CG1-SD 4.46Å; V382-M429 HydrophobicContact CG2-SD 4.42Å; V382-L434 HydrophobicContact CG1-CB 4.34Å; V382-L434 HydrophobicContact CG1-CD1 3.97Å
383A97.5Very high96.1Very high0 Ų023 Ų230%012%0.115CC..EExtended strand (participates in β ladder)trans-148.7146.1-173.700000113.3V365 V369 R385 V386 L399 T400 P401V365-A383 HydrophobicContact CB-CB 4.13Å; V365-A383 VanDerWaalsContact O-CA 3.3Å; V365-A383 WeakPolarHBondContact O-CA 3.27Å; V369-A383 HydrophobicContact CB-CB 4.31Å; V369-A383 HydrophobicContact CG2-CB 3.68Å; A383-R385 PolarHBondContact O-N 3.3Å; A383-V386 HydrophobicContact CB-CG2 4.25Å; A383-L399 PolarHBondContact N-O 3.35Å; A383-T400 VanDerWaalsContact O-CA 3.29Å; A383-T400 WeakPolarHBondContact O-CA 3.14Å; A383-T400 WeakPolarHBondContact O-CB 3.17Å; A383-T400 PolarHBondContact O-OG1 2.95Å; A383-P401 WeakPolarHBondContact O-CD 3.42Å
384G95.8Very high96.2Very high1 Ų121.5 Ų21.51%0.0111%0.105CC..EExtended strand (participates in β ladder)trans-55.9-39.7170.900000112.6V365 T367 T400 T402V365-G384 PolarHBondContact O-N 3.16Å; T367-G384 CarbonylContact O-C 3.59Å; T367-G384 WeakPolarHBondContact O-CA 3.3Å; G384-T400 PolarHBondContact O-OG1 3.34Å; G384-T402 WeakPolarHBondContact O-CG2 3.33Å; G384-T402 PolarHBondContact O-OG1 2.96Å
385R95.3Very high96.3Very high6 Ų622.8 Ų22.82%0.02311%0.113CC..EExtended strand (participates in β ladder)trans-147.4150.6171.9-175.1177-68.3157.7-7.3112.2E75 T76 L79 T367 S368 V369 A383 L387 T402E75-R385 IonicContact OE2-CZ 3.09Å; E75-R385 IonicContact OE2-NE 2.85Å; E75-R385 IonicContact OE2-NH2 3.06Å; E75-R385 PolarHBondContact OE2-NH2 3.33Å; T76-R385 PolarHBondContact OG1-NH1 3.33Å; T76-R385 PolarHBondContact OG1-NH2 3.17Å; L79-R385 HydrophobicContact CD1-CB 4.23Å; T367-R385 PolarHBondContact O-N 3.26Å; S368-R385 CarbonylContact C-O 3.51Å; S368-R385 WeakPolarHBondContact CA-O 3.44Å; V369-R385 PolarHBondContact N-O 3.27Å; A383-R385 PolarHBondContact O-N 3.3Å; R385-L387 HydrophobicContact CB-CD1 4.44Å; R385-L387 HydrophobicContact CG-CD1 3.87Å; R385-L387 HydrophobicContact CG-CG 4.37Å; R385-T402 WeakPolarHBondContact CA-OG1 3.37Å; R385-T402 WeakPolarHBondContact CB-OG1 3.36Å
386V97.6Very high96.3Very high1 Ų119.9 Ų19.91%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-114.2132.2169.4179.30000109.8V369 A383 I388 V396 A398 T400 P404 L405V369-V386 CarbonylContact O-C 3.5Å; V369-V386 WeakPolarHBondContact O-CA 3.38Å; A383-V386 HydrophobicContact CB-CG2 4.25Å; V386-I388 HydrophobicContact CG1-CD1 4.37Å; V386-I388 HydrophobicContact CG1-CG1 4.12Å; V386-V396 HydrophobicContact CG1-CG1 4.07Å; V386-A398 HydrophobicContact CG2-CB 4.07Å; V386-T400 HydrophobicContact CG2-CG2 4.37Å; V386-P404 HydrophobicContact CB-CB 4.28Å; V386-P404 CarbonylContact O-C 3.59Å; V386-P404 WeakPolarHBondContact O-CA 3.36Å; V386-L405 PolarHBondContact O-N 3.44Å
387L95.8Very high96.4Very high20 Ų2016.5 Ų16.511%0.1058%0.081CC..EExtended strand (participates in β ladder)trans-124.7135.3175.1-62.895.6000109.9V369 H370 I371 R385 L405V369-L387 PolarHBondContact O-N 3.32Å; H370-L387 CarbonylContact C-O 3.57Å; H370-L387 WeakPolarHBondContact CA-O 3.47Å; H370-L387 HydrophobicContact CB-CB 4.31Å; I371-L387 PolarHBondContact N-O 3.07Å; R385-L387 HydrophobicContact CB-CD1 4.44Å; R385-L387 HydrophobicContact CG-CD1 3.87Å; R385-L387 HydrophobicContact CG-CG 4.37Å; L387-L405 CarbonylContact C-O 3.54Å; L387-L405 WeakPolarHBondContact CA-O 3.3Å; L387-L405 HydrophobicContact CD2-CB 4.48Å; L387-L405 HydrophobicContact CD2-CD2 3.8Å; L387-L405 HydrophobicContact CG-CB 4.16Å; L387-L405 HydrophobicContact CG-CD2 4.36Å
388I95.5Very high96.4Very high0 Ų016.6 Ų16.60%08%0.082CC..EExtended strand (participates in β ladder)trans-134125.7-179.6-47.3173.9000109.2I371 V386 V396 L405 L406 L407 N410 L413 L415I371-I388 HydrophobicContact CB-CG2 4.34Å; I371-I388 HydrophobicContact CD1-CG1 4.34Å; I371-I388 HydrophobicContact CG2-CG2 4.5Å; I371-I388 CarbonylContact O-C 3.55Å; I371-I388 WeakPolarHBondContact O-CA 3.32Å; V386-I388 HydrophobicContact CG1-CD1 4.37Å; V386-I388 HydrophobicContact CG1-CG1 4.12Å; I388-V396 HydrophobicContact CD1-CB 4.34Å; I388-V396 HydrophobicContact CD1-CG2 3.62Å; I388-V396 HydrophobicContact CG1-CG2 4.47Å; I388-L405 PolarHBondContact N-O 3.27Å; I388-L406 HydrophobicContact CB-CD2 4.01Å; I388-L406 HydrophobicContact CD1-CD2 3.79Å; I388-L406 HydrophobicContact CG1-CD2 4.17Å; I388-L407 WeakPolarHBondContact O-CB 3.28Å; I388-L407 PolarHBondContact O-N 3.34Å; I388-N410 PolarHBondContact O-ND2 2.82Å; I388-L413 HydrophobicContact CB-CD1 4.25Å; I388-L413 HydrophobicContact CD1-CD1 4.28Å; I388-L413 HydrophobicContact CG2-CD1 3.73Å; I388-L413 HydrophobicContact CG2-CD2 3.98Å; I388-L415 HydrophobicContact CD1-CD2 4.01Å
389G92.1Very high96.4Very high1 Ų112.6 Ų12.61%0.017%0.067CC..EExtended strand (participates in β ladder)trans-143.715217800000113.4I371 H372 S373 S391 N410I371-G389 PolarHBondContact O-N 3.13Å; H372-G389 VanDerWaalsContact CA-O 3.31Å; H372-G389 WeakPolarHBondContact CA-O 3.35Å; S373-G389 PolarHBondContact N-O 2.83Å; S373-G389 VanDerWaalsContact N-O 3.16Å; G389-S391 PolarHBondContact O-N 3.02Å; G389-S391 PolarHBondContact O-OG 3.26Å; G389-N410 VanDerWaalsContact CA-OD1 3.29Å; G389-N410 WeakPolarHBondContact CA-OD1 3.4Å
390A90.6Very high96.3Very high39 Ų3912.6 Ų12.632%0.3227%0.067SC..SBendtrans47.332176.900000114.6S373 P408 G409 N410S373-A390 WeakPolarHBondContact CA-O 3.48Å; S373-A390 PolarHBondContact N-O 3.13Å; A390-P408 PolarHBondContact N-O 2.75Å; A390-G409 CarbonylContact C-O 3.56Å; A390-G409 VanDerWaalsContact CA-O 3.27Å; A390-G409 WeakPolarHBondContact CA-O 3.48Å; A390-N410 PolarHBondContact N-OD1 3.36Å; A390-N410 VanDerWaalsContact N-OD1 3.17Å
391S94.1Very high96.2Very high1 Ų114.7 Ų14.71%0.0078%0.081CC..  trans-119.1147.8-170.1-63.80000112.6S373 C374 G389 N410 S411S373-S391 PolarHBondContact N-OG 3.32Å; C374-S391 PolarHBondContact N-OG 2.85Å; C374-S391 VanDerWaalsContact N-OG 3.14Å; C374-S391 CarbonylContact O-C 3.54Å; C374-S391 WeakPolarHBondContact O-CA 3.33Å; C374-S391 WeakPolarHBondContact O-CB 3.49Å; G389-S391 PolarHBondContact O-N 3.02Å; G389-S391 PolarHBondContact O-OG 3.26Å; S391-N410 PolarHBondContact N-OD1 3.33Å; S391-N410 CarbonylContact O-C 3.6Å; S391-N410 VanDerWaalsContact O-CA 3.23Å; S391-N410 WeakPolarHBondContact O-CA 3.41Å; S391-S411 PolarHBondContact O-N 3.13Å
392S95.3Very high96Very high24 Ų2415.1 Ų15.117%0.1688%0.084CC..BIsolated β-bridgetrans-126.8137.2-175.159.60000112.8C374 Q375 N376 C394 S411C374-S392 PolarHBondContact O-N 3.31Å; Q375-S392 CarbonylContact C-O 3.57Å; Q375-S392 VanDerWaalsContact CA-O 3.29Å; Q375-S392 WeakPolarHBondContact CA-O 3.36Å; N376-S392 PolarHBondContact N-O 3.06Å; S392-C394 PolarHBondContact O-N 2.87Å; S392-C394 VanDerWaalsContact O-N 3.15Å; S392-C394 PolarHBondContact O-SG 2.82Å; S392-S411 CarbonylContact C-O 3.57Å; S392-S411 VanDerWaalsContact CA-O 3.24Å; S392-S411 WeakPolarHBondContact CA-O 3.11Å; S392-S411 WeakPolarHBondContact CB-OG 3.49Å
393R95.5Very high95.8Very high118 Ų11817.6 Ų17.645%0.44510%0.1SC..SBendtrans54.132.6177-60.6-174.4-66.8-85.62113.8N376 S411 D412N376-R393 VanDerWaalsContact CA-O 3.32Å; N376-R393 WeakPolarHBondContact CA-O 3.43Å; R393-S411 PolarHBondContact N-O 3.36Å; R393-D412 WeakPolarHBondContact CA-O 3.3Å; R393-D412 HydrophobicContact CG-CB 3.83Å
394C97.6Very high95.7Very high0 Ų017.7 Ų17.70%010%0.101CC..  trans-91.3140.2179.2-67.20000110.9V377 S392 L413 T414V377-C394 CarbonylContact O-C 3.36Å; V377-C394 WeakPolarHBondContact O-CA 3.31Å; V377-C394 WeakPolarHBondContact O-CB 3.4Å; S392-C394 PolarHBondContact O-N 2.87Å; S392-C394 VanDerWaalsContact O-N 3.15Å; S392-C394 PolarHBondContact O-SG 2.82Å; C394-L413 HydrophobicContact CB-CD2 3.94Å; C394-L413 WeakPolarHBondContact O-CA 3.36Å; C394-T414 PolarHBondContact O-N 2.86Å
395T97.7Very high95.7Very high30 Ų3017.7 Ų17.718%0.18410%0.1CC..EExtended strand (participates in β ladder)trans-111125.6174.8-56.40000109.8V377 R378 V379 H397 T414V377-T395 PolarHBondContact O-N 2.91Å; R378-T395 CarbonylContact C-O 3.37Å; R378-T395 VanDerWaalsContact CA-O 3.3Å; R378-T395 WeakPolarHBondContact CA-O 3.49Å; V379-T395 PolarHBondContact N-O 2.81Å; T395-H397 WeakPolarHBondContact CG2-NE2 3.46Å; T395-T414 CarbonylContact C-O 3.55Å; T395-T414 VanDerWaalsContact CA-O 3.28Å; T395-T414 WeakPolarHBondContact CA-O 3.33Å; T395-T414 HydrophobicContact CG2-CG2 4.13Å
396V98.3Very high95.6Very high2 Ų217.4 Ų17.41%0.01210%0.099CC..EExtended strand (participates in β ladder)trans-119.6115-179.2-172.20000110.1I371 V379 V386 I388 A398 T414 L415 A416I371-V396 HydrophobicContact CD1-CG1 4.38Å; I371-V396 HydrophobicContact CD1-CG2 3.48Å; I371-V396 VanDerWaalsContact CD1-CG2 3.48Å; V379-V396 WeakPolarHBondContact O-CA 3.22Å; V386-V396 HydrophobicContact CG1-CG1 4.07Å; I388-V396 HydrophobicContact CD1-CB 4.34Å; I388-V396 HydrophobicContact CD1-CG2 3.62Å; I388-V396 HydrophobicContact CG1-CG2 4.47Å; V396-A398 HydrophobicContact CG1-CB 4.3Å; V396-T414 PolarHBondContact N-O 3.49Å; V396-L415 HydrophobicContact CB-CD2 4.08Å; V396-A416 PolarHBondContact O-N 2.81Å
397H98.1Very high95.3Very high11 Ų1117.7 Ų17.75%0.05110%0.101CC..EExtended strand (participates in β ladder)trans-97.4109171.9-64.9-93.5000108.8V379 V380 C381 T395 A416 P417 H419V379-H397 PolarHBondContact O-N 3.21Å; V380-H397 WeakPolarHBondContact CA-O 3.09Å; V380-H397 HydrophobicContact CB-CB 4.35Å; V380-H397 HydrophobicContact CG1-CB 4.06Å; V380-H397 HydrophobicContact CG2-CB 4.12Å; C381-H397 PolarHBondContact N-O 2.77Å; T395-H397 WeakPolarHBondContact CG2-NE2 3.46Å; H397-A416 VanDerWaalsContact CA-O 3.28Å; H397-A416 WeakPolarHBondContact CA-O 3.23Å; H397-A416 VanDerWaalsContact CE1-CB 3.44Å; H397-A416 WeakPolarHBondContact CE1-CB 3.28Å; H397-A416 WeakPolarHBondContact ND1-CB 3.41Å; H397-P417 PolarHBondContact ND1-O 3.12Å; H397-H419 AromaticContact CD2-CE1 3.65Å; H397-H419 AromaticContact CE1-CE1 3.56Å; H397-H419 AromaticContact CE1-ND1 3.7Å; H397-H419 AromaticContact CG-CE1 3.29Å; H397-H419 AromaticContact CG-ND1 3.32Å; H397-H419 VanDerWaalsContact CG-ND1 3.32Å; H397-H419 AromaticContact ND1-CE1 3.24Å; H397-H419 PolarHBondContact ND1-CE1 2.78Å; H397-H419 AromaticContact ND1-ND1 3.02Å; H397-H419 PolarHBondContact ND1-ND1 3.04Å; H397-H419 AromaticContact NE2-CE1 3.81Å
398A97.9Very high94.8Very high4 Ų418.9 Ų18.93%0.03311%0.11CC..EExtended strand (participates in β ladder)trans-126.2145.6-169.500000113.3C381 V386 V396 T400 A416 F418 W441C381-A398 WeakPolarHBondContact O-CA 3.38Å; V386-A398 HydrophobicContact CG2-CB 4.07Å; V396-A398 HydrophobicContact CG1-CB 4.3Å; A398-T400 HydrophobicContact CB-CG2 4.42Å; A398-A416 PolarHBondContact N-O 3.09Å; A398-F418 PolarHBondContact O-N 2.83Å; A398-F418 VanDerWaalsContact O-N 3.1Å; A398-W441 HydrophobicContact CB-CB 4.19Å; A398-W441 WeakPolarHBondContact O-CB 3.2Å
399L97.8Very high94.3Very high6 Ų621.9 Ų21.93%0.03114%0.141CC..EExtended strand (participates in β ladder)trans-118.3116.1156-169.2161.7000105.6C381 V382 A383 F418 M429 A435 V436C381-L399 PolarHBondContact O-N 2.87Å; C381-L399 VanDerWaalsContact O-N 3.11Å; V382-L399 WeakPolarHBondContact CA-O 3.41Å; V382-L399 HydrophobicContact CG1-CB 4.29Å; V382-L399 HydrophobicContact CG1-CD2 4.06Å; V382-L399 HydrophobicContact CG2-CB 4.13Å; A383-L399 PolarHBondContact N-O 3.35Å; L399-F418 HydrophobicContact CB-CB 3.75Å; L399-F418 HydrophobicContact CB-CG 4.17Å; L399-M429 HydrophobicContact CD1-CE 4.34Å; L399-A435 WeakPolarHBondContact CD2-O 3.33Å; L399-V436 HydrophobicContact CD1-CG1 4.49Å
400T96.7Very high94.2Very high0 Ų022.7 Ų22.70%015%0.145CC..  trans-150.6135.2-176.3-174.30000111.4A383 G384 V386 A398 T402 P404 N439 A440 W441A383-T400 VanDerWaalsContact O-CA 3.29Å; A383-T400 WeakPolarHBondContact O-CA 3.14Å; A383-T400 WeakPolarHBondContact O-CB 3.17Å; A383-T400 PolarHBondContact O-OG1 2.95Å; G384-T400 PolarHBondContact O-OG1 3.34Å; V386-T400 HydrophobicContact CG2-CG2 4.37Å; A398-T400 HydrophobicContact CB-CG2 4.42Å; T400-T402 VanDerWaalsContact CG2-O 3.25Å; T400-T402 WeakPolarHBondContact CG2-O 3.43Å; T400-T402 PolarHBondContact O-N 2.66Å; T400-P404 HydrophobicContact CG2-CG 4.13Å; T400-N439 PolarHBondContact N-OD1 3.47Å; T400-N439 CarbonylContact O-C 3.54Å; T400-N439 WeakPolarHBondContact O-CA 3.45Å; T400-N439 PolarHBondContact O-OD1 2.9Å; T400-A440 PolarHBondContact O-N 3.15Å; T400-W441 HydrophobicContact CG2-CB 4.4Å
401P94.6Very high94.2Very high43 Ų4323.2 Ų23.228%0.27915%0.146SC..SBendtrans-74.9-12.4179.430.8-34.8000113.3A383 L434 P438A383-P401 WeakPolarHBondContact O-CD 3.42Å; P401-L434 HydrophobicContact CG-CD2 4.43Å; P401-P438 VanDerWaalsContact CA-O 3.29Å; P401-P438 WeakPolarHBondContact CA-O 3.42Å; P401-P438 HydrophobicContact CB-CG 3.89Å
402T93.9Very high94.2Very high10 Ų1028.2 Ų28.26%0.06117%0.173CC..SBendtrans-115154.9-17764.70000111.3E75 G384 R385 T400 P404E75-T402 HydrophobicContact CG-CG2 4.15Å; E75-T402 WeakPolarHBondContact OE1-CG2 3.48Å; E75-T402 WeakPolarHBondContact OE2-CB 3.46Å; E75-T402 WeakPolarHBondContact OE2-CG2 3.35Å; G384-T402 WeakPolarHBondContact O-CG2 3.33Å; G384-T402 PolarHBondContact O-OG1 2.96Å; R385-T402 WeakPolarHBondContact CA-OG1 3.37Å; R385-T402 WeakPolarHBondContact CB-OG1 3.36Å; T400-T402 VanDerWaalsContact CG2-O 3.25Å; T400-T402 WeakPolarHBondContact CG2-O 3.43Å; T400-T402 PolarHBondContact O-N 2.66Å; T402-P404 WeakPolarHBondContact O-CD 3.37Å
403C94.1Very high94.3Very high53 Ų5327.1 Ų27.136%0.35817%0.165SC..PPolyproline II helixtrans-60.6124.6176.3-63.80000110.7L405 Q443 L445C403-L405 PolarHBondContact O-N 3.17Å; C403-Q443 WeakPolarHBondContact CA-O 3.35Å; C403-Q443 WeakPolarHBondContact CB-O 3.44Å; C403-Q443 PolarHBondContact SG-O 3.26Å; C403-Q443 VanDerWaalsContact SG-O 3.36Å; C403-L445 HydrophobicContact CB-CB 4.36Å
404P96.5Very high94.3Very high1 Ų121.9 Ų21.91%0.00615%0.146CC..PPolyproline II helixtrans-56.6132.5173.7-26.234.1000111.8V386 T400 T402 A440 P444 L445V386-P404 HydrophobicContact CB-CB 4.28Å; V386-P404 CarbonylContact O-C 3.59Å; V386-P404 WeakPolarHBondContact O-CA 3.36Å; T400-P404 HydrophobicContact CG2-CG 4.13Å; T402-P404 WeakPolarHBondContact O-CD 3.37Å; P404-A440 WeakPolarHBondContact CD-O 3.41Å; P404-P444 HydrophobicContact CB-CB 4.36Å; P404-P444 CarbonylContact O-C 3.51Å; P404-P444 WeakPolarHBondContact O-CA 3.3Å; P404-L445 PolarHBondContact O-N 2.9Å
405L94.5Very high94.4Very high1 Ų122.1 Ų22.11%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-95.2116.5-176.6-165.666.3000111.1L20 L72 V386 L387 I388 C403 L407 L445 L447L20-L405 HydrophobicContact CD2-CD2 4Å; L72-L405 HydrophobicContact CD1-CD1 4.37Å; L72-L405 HydrophobicContact CD1-CD2 4.29Å; L72-L405 HydrophobicContact CD2-CD1 3.79Å; L72-L405 HydrophobicContact CD2-CD2 3.94Å; V386-L405 PolarHBondContact O-N 3.44Å; L387-L405 CarbonylContact C-O 3.54Å; L387-L405 WeakPolarHBondContact CA-O 3.3Å; L387-L405 HydrophobicContact CD2-CB 4.48Å; L387-L405 HydrophobicContact CD2-CD2 3.8Å; L387-L405 HydrophobicContact CG-CB 4.16Å; L387-L405 HydrophobicContact CG-CD2 4.36Å; I388-L405 PolarHBondContact N-O 3.27Å; C403-L405 PolarHBondContact O-N 3.17Å; L405-L407 HydrophobicContact CD2-CD2 3.86Å; L405-L407 HydrophobicContact CG-CD2 4.02Å; L405-L445 HydrophobicContact CD1-CB 4.05Å; L405-L445 HydrophobicContact CD1-CD2 3.94Å; L405-L445 HydrophobicContact CD1-CG 4.19Å; L405-L447 HydrophobicContact CD1-CD1 3.55Å; L405-L447 HydrophobicContact CD1-CG 3.79Å; L405-L447 HydrophobicContact CD2-CD1 3.75Å; L405-L447 HydrophobicContact CG-CD1 3.84Å; L405-L447 HydrophobicContact CG-CG 4.43Å
406L93.9Very high94.4Very high0 Ų020.7 Ų20.70%014%0.139CC..EExtended strand (participates in β ladder)trans-99.3105.5176.4-53.2-172.9000109.5I388 L413 P444 L445 V446 L447 Y468I388-L406 HydrophobicContact CB-CD2 4.01Å; I388-L406 HydrophobicContact CD1-CD2 3.79Å; I388-L406 HydrophobicContact CG1-CD2 4.17Å; L406-L413 HydrophobicContact CD1-CD1 4.5Å; L406-L413 HydrophobicContact CD2-CD1 3.89Å; L406-P444 HydrophobicContact CD1-CB 3.81Å; L406-P444 HydrophobicContact CD1-CG 4.26Å; L406-P444 HydrophobicContact CG-CB 3.91Å; L406-L445 PolarHBondContact N-O 3.43Å; L406-V446 HydrophobicContact CB-CG2 4.31Å; L406-V446 HydrophobicContact CD1-CG2 4.14Å; L406-L447 PolarHBondContact O-N 3.44Å; L406-Y468 HydrophobicContact CD1-CD1 3.42Å; L406-Y468 VanDerWaalsContact CD1-CD1 3.42Å; L406-Y468 HydrophobicContact CD1-CE1 4.09Å; L406-Y468 HydrophobicContact CD1-CG 3.72Å
407L90.1Very high94.3Very high8 Ų820.7 Ų20.74%0.04214%0.139CC..  trans-79.1167.9176.2-54.7-179.6000111.2Q21 V22 I388 L405 N410 L447Q21-L407 HydrophobicContact CB-CD1 4.1Å; V22-L407 HydrophobicContact CG1-CD2 4.41Å; V22-L407 HydrophobicContact CG2-CD2 4.12Å; I388-L407 WeakPolarHBondContact O-CB 3.28Å; I388-L407 PolarHBondContact O-N 3.34Å; L405-L407 HydrophobicContact CD2-CD2 3.86Å; L405-L407 HydrophobicContact CG-CD2 4.02Å; L407-N410 PolarHBondContact O-ND2 2.91Å; L407-L447 HydrophobicContact CD2-CB 4.43Å; L407-L447 HydrophobicContact CD2-CD1 3.78Å
408P86Confident94.3Very high45 Ų4520.4 Ų20.429%0.29214%0.137SC..THydrogen-bonded Turntrans-59.5156.5178.1-25.435.4000114.1V22 A390 L447V22-P408 HydrophobicContact CG1-CG 3.82Å; A390-P408 PolarHBondContact N-O 2.75Å; P408-L447 WeakPolarHBondContact CD-O 3.44Å; P408-L447 WeakPolarHBondContact CG-O 3.49Å
409G85.8Confident94.1Very high63 Ų6320.5 Ų20.565%0.64914%0.137SC*.THydrogen-bonded Turntrans86.212.2173.600000115.6A390A390-G409 CarbonylContact C-O 3.56Å; A390-G409 VanDerWaalsContact CA-O 3.27Å; A390-G409 WeakPolarHBondContact CA-O 3.48Å
410N89.1Confident93.9Very high18 Ų1820.3 Ų20.310%0.09614%0.136CC..  trans-85.3149177.3-69.4-39.2000112.9I388 G389 A390 S391 L407 L413 C467I388-N410 PolarHBondContact O-ND2 2.82Å; G389-N410 VanDerWaalsContact CA-OD1 3.29Å; G389-N410 WeakPolarHBondContact CA-OD1 3.4Å; A390-N410 PolarHBondContact N-OD1 3.36Å; A390-N410 VanDerWaalsContact N-OD1 3.17Å; S391-N410 PolarHBondContact N-OD1 3.33Å; S391-N410 CarbonylContact O-C 3.6Å; S391-N410 VanDerWaalsContact O-CA 3.23Å; S391-N410 WeakPolarHBondContact O-CA 3.41Å; L407-N410 PolarHBondContact O-ND2 2.91Å; N410-L413 HydrophobicContact CB-CD1 3.61Å; N410-L413 HydrophobicContact CB-CD2 4.5Å; N410-L413 HydrophobicContact CB-CG 4Å; N410-C467 HydrophobicContact CB-CB 4.21Å; N410-C467 WeakPolarHBondContact O-CB 3.15Å
411S91.6Very high93.8Very high50 Ų5024.2 Ų24.235%0.3515%0.153SC..BIsolated β-bridgetrans-145.1143.4172.947.80000111.6S391 S392 R393 L413S391-S411 PolarHBondContact O-N 3.13Å; S392-S411 CarbonylContact C-O 3.57Å; S392-S411 VanDerWaalsContact CA-O 3.24Å; S392-S411 WeakPolarHBondContact CA-O 3.11Å; S392-S411 WeakPolarHBondContact CB-OG 3.49Å; R393-S411 PolarHBondContact N-O 3.36Å; S411-L413 PolarHBondContact O-N 2.95Å; S411-L413 VanDerWaalsContact O-N 3.14Å
412D93.1Very high93.7Very high105 Ų10522.3 Ų22.356%0.56114%0.14SC*.SBendtrans50.937.7175.1-54.6-30.9000114.9R393 C467R393-D412 WeakPolarHBondContact CA-O 3.3Å; R393-D412 HydrophobicContact CG-CB 3.83Å; D412-C467 PolarHBondContact N-O 3.12Å
413L96.6Very high93.7Very high1 Ų123.1 Ų23.11%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-71.4144.4176.5-59.7-177.1000110.7I388 C394 L406 N410 S411 C467 Y468 R469I388-L413 HydrophobicContact CB-CD1 4.25Å; I388-L413 HydrophobicContact CD1-CD1 4.28Å; I388-L413 HydrophobicContact CG2-CD1 3.73Å; I388-L413 HydrophobicContact CG2-CD2 3.98Å; C394-L413 HydrophobicContact CB-CD2 3.94Å; C394-L413 WeakPolarHBondContact O-CA 3.36Å; L406-L413 HydrophobicContact CD1-CD1 4.5Å; L406-L413 HydrophobicContact CD2-CD1 3.89Å; N410-L413 HydrophobicContact CB-CD1 3.61Å; N410-L413 HydrophobicContact CB-CD2 4.5Å; N410-L413 HydrophobicContact CB-CG 4Å; S411-L413 PolarHBondContact O-N 2.95Å; S411-L413 VanDerWaalsContact O-N 3.14Å; L413-C467 WeakPolarHBondContact CB-O 3.44Å; L413-C467 WeakPolarHBondContact CG-O 3.19Å; L413-C467 PolarHBondContact N-O 2.88Å; L413-Y468 CarbonylContact O-C 3.47Å; L413-Y468 WeakPolarHBondContact O-CA 3.4Å; L413-R469 PolarHBondContact O-N 3.37Å
414T97.4Very high93.7Very high9 Ų921.6 Ų21.66%0.05514%0.136CC..EExtended strand (participates in β ladder)trans-123.5120173.4-59.10000109.6C394 T395 V396 R469 L471C394-T414 PolarHBondContact O-N 2.86Å; T395-T414 CarbonylContact C-O 3.55Å; T395-T414 VanDerWaalsContact CA-O 3.28Å; T395-T414 WeakPolarHBondContact CA-O 3.33Å; T395-T414 HydrophobicContact CG2-CG2 4.13Å; V396-T414 PolarHBondContact N-O 3.49Å; T414-R469 CarbonylContact C-O 3.57Å; T414-R469 WeakPolarHBondContact CA-O 3.47Å; T414-R469 HydrophobicContact CG2-CG 4.41Å; T414-R469 PolarHBondContact OG1-NE 3.08Å; T414-L471 HydrophobicContact CG2-CB 3.68Å; T414-L471 HydrophobicContact CG2-CD1 3.91Å; T414-L471 HydrophobicContact CG2-CG 4.35Å
415L98.1Very high93.7Very high4 Ų421.6 Ų21.62%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-100.7140.4174.9-57.6180000110.1I388 V396 W441 P444 Y468 R469 L470 L471I388-L415 HydrophobicContact CD1-CD2 4.01Å; V396-L415 HydrophobicContact CB-CD2 4.08Å; L415-W441 HydrophobicContact CB-CE3 4.45Å; L415-W441 HydrophobicContact CB-CZ3 4.47Å; L415-P444 HydrophobicContact CD1-CB 3.84Å; L415-P444 HydrophobicContact CD1-CG 3.76Å; L415-Y468 HydrophobicContact CD1-CD2 4.06Å; L415-Y468 HydrophobicContact CG-CD2 4.49Å; L415-R469 PolarHBondContact N-O 3.06Å; L415-L470 HydrophobicContact CB-CD2 3.97Å; L415-L470 CarbonylContact O-C 3.57Å; L415-L470 WeakPolarHBondContact O-CA 3.48Å; L415-L471 PolarHBondContact O-N 2.9Å
416A97.4Very high93.8Very high0 Ų026.1 Ų26.10%016%0.157CC..EExtended strand (participates in β ladder)trans-148.9159-174.900000111.2V396 H397 A398 W441 L471V396-A416 PolarHBondContact O-N 2.81Å; H397-A416 VanDerWaalsContact CA-O 3.28Å; H397-A416 WeakPolarHBondContact CA-O 3.23Å; H397-A416 VanDerWaalsContact CE1-CB 3.44Å; H397-A416 WeakPolarHBondContact CE1-CB 3.28Å; H397-A416 WeakPolarHBondContact ND1-CB 3.41Å; A398-A416 PolarHBondContact N-O 3.09Å; A416-W441 VanDerWaalsContact C-CZ3 3.42Å; A416-L471 HydrophobicContact CB-CB 3.73Å; A416-L471 HydrophobicContact CB-CD2 3.7Å; A416-L471 HydrophobicContact CB-CG 4.4Å
417P97.4Very high93.8Very high2 Ų230.9 Ų30.91%0.01318%0.182CC..EExtended strand (participates in β ladder)trans-67.2148.1174.628-33.5000110.9H397 H419 W441 F476 P497 Y500H397-P417 PolarHBondContact ND1-O 3.12Å; P417-H419 PolarHBondContact O-ND1 2.93Å; P417-W441 HydrophobicContact CB-CD2 4.46Å; P417-W441 HydrophobicContact CB-CZ2 4Å; P417-W441 HydrophobicContact CG-CH2 4.48Å; P417-W441 HydrophobicContact CG-CZ2 4.23Å; P417-F476 HydrophobicContact CG-CE2 3.99Å; P417-F476 HydrophobicContact CG-CZ 4.39Å; P417-P497 HydrophobicContact CB-CG 3.92Å; P417-P497 HydrophobicContact CG-CG 4.27Å; P417-Y500 HydrophobicContact CG-CD1 3.87Å; P417-Y500 HydrophobicContact CG-CD2 3.97Å; P417-Y500 HydrophobicContact CG-CE1 3.93Å; P417-Y500 HydrophobicContact CG-CE2 4.04Å; P417-Y500 HydrophobicContact CG-CG 3.88Å
418F96.9Very high94.2Very high6 Ų632 Ų323%0.02619%0.187CC..  trans-58.4142164.2-174.5-100.1000110.6V380 V382 A398 L399 I420 L425 V492 L496V380-F418 HydrophobicContact CG1-CD2 3.85Å; V380-F418 HydrophobicContact CG1-CE2 3.83Å; V382-F418 HydrophobicContact CG2-CD1 4.22Å; V382-F418 HydrophobicContact CG2-CD2 3.97Å; V382-F418 HydrophobicContact CG2-CE1 3.9Å; V382-F418 HydrophobicContact CG2-CE2 3.64Å; V382-F418 HydrophobicContact CG2-CG 4.24Å; V382-F418 HydrophobicContact CG2-CZ 3.59Å; A398-F418 PolarHBondContact O-N 2.83Å; A398-F418 VanDerWaalsContact O-N 3.1Å; L399-F418 HydrophobicContact CB-CB 3.75Å; L399-F418 HydrophobicContact CB-CG 4.17Å; F418-I420 HydrophobicContact CD2-CG1 4.39Å; F418-I420 HydrophobicContact CE1-CG1 3.97Å; F418-I420 WeakPolarHBondContact CE1-O 3.16Å; F418-I420 HydrophobicContact CE2-CD1 4.02Å; F418-I420 HydrophobicContact CE2-CG1 3.51Å; F418-I420 HydrophobicContact CZ-CB 4.5Å; F418-I420 HydrophobicContact CZ-CD1 4.04Å; F418-I420 HydrophobicContact CZ-CG1 3.25Å; F418-L425 HydrophobicContact CE1-CD2 3.88Å; F418-L425 HydrophobicContact CZ-CD2 3.95Å; F418-V492 HydrophobicContact CD1-CG1 4.08Å; F418-V492 HydrophobicContact CE1-CG1 4.46Å; F418-L496 WeakPolarHBondContact O-CD2 3.25Å
419H94.8Very high94.7Very high6 Ų630.1 Ų30.13%0.02818%0.175CC..  trans-153.316.1-162.668.1-86.7000114.8H397 P417 F476 L479 L496H397-H419 AromaticContact CD2-CE1 3.65Å; H397-H419 AromaticContact CE1-CE1 3.56Å; H397-H419 AromaticContact CE1-ND1 3.7Å; H397-H419 AromaticContact CG-CE1 3.29Å; H397-H419 AromaticContact CG-ND1 3.32Å; H397-H419 VanDerWaalsContact CG-ND1 3.32Å; H397-H419 AromaticContact ND1-CE1 3.24Å; H397-H419 PolarHBondContact ND1-CE1 2.78Å; H397-H419 AromaticContact ND1-ND1 3.02Å; H397-H419 PolarHBondContact ND1-ND1 3.04Å; H397-H419 AromaticContact NE2-CE1 3.81Å; P417-H419 PolarHBondContact O-ND1 2.93Å; H419-F476 HydrophobicContact CB-CE2 3.79Å; H419-F476 HydrophobicContact CB-CZ 3.4Å; H419-F476 VanDerWaalsContact CB-CZ 3.4Å; H419-L479 PolarHBondContact CD2-N 3.24Å; H419-L479 VanDerWaalsContact NE2-CB 3.27Å; H419-L479 WeakPolarHBondContact NE2-CB 3.35Å; H419-L479 PolarHBondContact NE2-N 3.43Å; H419-L496 HydrophobicContact CB-CD2 3.92Å
420I93.9Very high95.2Very high1 Ų129.4 Ų29.41%0.00516%0.163CC..  trans-119.6162.6-17969.4167.7000109.6V361 V380 F418 L479 V481V361-I420 HydrophobicContact CG1-CD1 3.3Å; V380-I420 HydrophobicContact CB-CD1 4.48Å; V380-I420 HydrophobicContact CG1-CD1 3.73Å; V380-I420 HydrophobicContact CG1-CG1 3.85Å; V380-I420 HydrophobicContact CG1-CG2 3.93Å; F418-I420 HydrophobicContact CD2-CG1 4.39Å; F418-I420 HydrophobicContact CE1-CG1 3.97Å; F418-I420 WeakPolarHBondContact CE1-O 3.16Å; F418-I420 HydrophobicContact CE2-CD1 4.02Å; F418-I420 HydrophobicContact CE2-CG1 3.51Å; F418-I420 HydrophobicContact CZ-CB 4.5Å; F418-I420 HydrophobicContact CZ-CD1 4.04Å; F418-I420 HydrophobicContact CZ-CG1 3.25Å; I420-L479 HydrophobicContact CG2-CB 3.9Å; I420-L479 HydrophobicContact CG2-CD2 3.82Å; I420-L479 HydrophobicContact CG2-CG 4.47Å; I420-L479 WeakPolarHBondContact CG2-O 3.47Å; I420-V481 HydrophobicContact CB-CG2 4.47Å; I420-V481 HydrophobicContact CD1-CG2 4.22Å
421F93.8Very high95.5Very high83 Ų8331.5 Ų31.536%0.36418%0.179SC..  trans-140.9158163.375-86.6000109.6L425 V481 T489 C490 E491F421-L425 HydrophobicContact CB-CD2 4.31Å; F421-V481 WeakPolarHBondContact O-CG2 3.29Å; F421-T489 HydrophobicContact CB-CG2 4.09Å; F421-T489 HydrophobicContact CD2-CG2 4.36Å; F421-T489 VanDerWaalsContact CD2-O 3.31Å; F421-T489 WeakPolarHBondContact CD2-O 3.35Å; F421-C490 WeakPolarHBondContact CE1-O 3.28Å; F421-C490 VanDerWaalsContact CE2-C 3.44Å; F421-C490 WeakPolarHBondContact CE2-O 3.36Å; F421-C490 WeakPolarHBondContact CZ-O 3.27Å; F421-E491 WeakPolarHBondContact CB-O 3.47Å
422Y93.8Very high95.7Very high2 Ų229.5 Ų29.51%0.00816%0.164CC..  trans-140.1154163.361-98000107.8L344 P364 S424 L425 H428 M485L344-Y422 HydrophobicContact CB-CD1 4.37Å; L344-Y422 HydrophobicContact CB-CE1 4.22Å; L344-Y422 HydrophobicContact CD2-CD1 3.9Å; L344-Y422 HydrophobicContact CD2-CE1 4.02Å; L344-Y422 HydrophobicContact CG-CD1 4.48Å; P364-Y422 WeakPolarHBondContact CD-OH 3.49Å; Y422-S424 VanDerWaalsContact C-N 3.29Å; Y422-S424 PolarHBondContact O-N 3.38Å; Y422-L425 HydrophobicContact CD1-CB 4.13Å; Y422-L425 HydrophobicContact CD1-CD1 4.4Å; Y422-L425 HydrophobicContact CD2-CB 4.04Å; Y422-L425 HydrophobicContact CE1-CB 3.98Å; Y422-L425 HydrophobicContact CE1-CD1 3.62Å; Y422-L425 HydrophobicContact CE1-CG 4.26Å; Y422-L425 VanDerWaalsContact CE2-CA 3.46Å; Y422-L425 HydrophobicContact CE2-CB 3.84Å; Y422-L425 VanDerWaalsContact CE2-N 3.34Å; Y422-L425 HydrophobicContact CG-CB 4.15Å; Y422-L425 WeakPolarHBondContact O-CB 3.48Å; Y422-L425 PolarHBondContact O-N 2.76Å; Y422-H428 AromaticContact CE2-CE1 3.86Å; Y422-H428 AromaticContact CE2-ND1 3.46Å; Y422-H428 WeakPolarHBondContact CE2-ND1 3.39Å; Y422-H428 AromaticContact CZ-ND1 3.58Å; Y422-H428 PolarHBondContact OH-ND1 2.99Å; Y422-M485 HydrophobicContact CD2-CE 3.64Å; Y422-M485 HydrophobicContact CD2-SD 4.08Å; Y422-M485 HydrophobicContact CE2-CE 4.16Å; Y422-M485 HydrophobicContact CG-CE 4.42Å; Y422-M485 HydrophobicContact CG-SD 4.29Å
423P93.6Very high95.9Very high28 Ų2824.7 Ų24.718%0.18214%0.14CC..THydrogen-bonded Turntrans-47.3-39.1-169.3-36.138.1000116.8M485 E486 G487 D488 T489P423-M485 HydrophobicContact CB-CB 4.21Å; P423-M485 HydrophobicContact CG-CB 3.95Å; P423-M485 WeakPolarHBondContact CG-O 3.34Å; P423-E486 VanDerWaalsContact CB-C 3.44Å; P423-G487 CarbonylContact O-C 3.26Å; P423-G487 VanDerWaalsContact O-C 3.26Å; P423-G487 WeakPolarHBondContact O-CA 3.43Å; P423-D488 PolarHBondContact O-N 3.1Å; P423-D488 VanDerWaalsContact O-N 3.1Å; P423-T489 WeakPolarHBondContact O-CB 3.36Å; P423-T489 PolarHBondContact O-N 3.19Å; P423-T489 PolarHBondContact O-OG1 3.22Å
424S94.3Very high95.9Very high21 Ų2125.3 Ų25.315%0.14714%0.143CC..THydrogen-bonded Turntrans-95.115.2-179.4-180000114.3Y422 H428 E486Y422-S424 VanDerWaalsContact C-N 3.29Å; Y422-S424 PolarHBondContact O-N 3.38Å; S424-H428 WeakPolarHBondContact O-CB 3.41Å; S424-H428 PolarHBondContact O-CD2 2.98Å; S424-H428 VanDerWaalsContact O-CD2 3.27Å; S424-H428 PolarHBondContact O-N 3.23Å; S424-E486 PolarHBondContact OG-O 3.2Å
425L95.5Very high95.8Very high0 Ų026.3 Ų26.30%015%0.152CC..Hα-helixtrans-67.3-46-169.3173.960.1000112.8P364 F418 F421 Y422 H428 M429 T489 P493P364-L425 HydrophobicContact CG-CD1 3.74Å; F418-L425 HydrophobicContact CE1-CD2 3.88Å; F418-L425 HydrophobicContact CZ-CD2 3.95Å; F421-L425 HydrophobicContact CB-CD2 4.31Å; Y422-L425 HydrophobicContact CD1-CB 4.13Å; Y422-L425 HydrophobicContact CD1-CD1 4.4Å; Y422-L425 HydrophobicContact CD2-CB 4.04Å; Y422-L425 HydrophobicContact CE1-CB 3.98Å; Y422-L425 HydrophobicContact CE1-CD1 3.62Å; Y422-L425 HydrophobicContact CE1-CG 4.26Å; Y422-L425 VanDerWaalsContact CE2-CA 3.46Å; Y422-L425 HydrophobicContact CE2-CB 3.84Å; Y422-L425 VanDerWaalsContact CE2-N 3.34Å; Y422-L425 HydrophobicContact CG-CB 4.15Å; Y422-L425 WeakPolarHBondContact O-CB 3.48Å; Y422-L425 PolarHBondContact O-N 2.76Å; L425-H428 PolarHBondContact O-N 2.86Å; L425-M429 HydrophobicContact CD1-CG 4.05Å; L425-M429 HydrophobicContact CD1-SD 4.17Å; L425-M429 HydrophobicContact CG-CG 4.45Å; L425-M429 HydrophobicContact CG-SD 4.12Å; L425-M429 WeakPolarHBondContact O-CG 3.5Å; L425-M429 PolarHBondContact O-N 3.08Å; L425-T489 HydrophobicContact CB-CG2 4.33Å; L425-P493 HydrophobicContact CD2-CG 3.6Å; L425-P493 HydrophobicContact CG-CG 3.98Å
426E95.9Very high95.7Very high96 Ų9628.5 Ų28.545%0.44917%0.166SC..Hα-helixtrans-65.1-41.3-179-70.8171.1121.300111.7H428 M429 A430 T489 P493E426-H428 VanDerWaalsContact C-N 3.34Å; E426-H428 PolarHBondContact O-N 2.98Å; E426-M429 WeakPolarHBondContact O-CB 3.38Å; E426-M429 PolarHBondContact O-N 2.97Å; E426-M429 VanDerWaalsContact O-N 3.14Å; E426-A430 WeakPolarHBondContact O-CB 3.29Å; E426-A430 PolarHBondContact O-N 3.05Å; E426-T489 WeakPolarHBondContact CB-OG1 3.33Å; E426-T489 HydrophobicContact CG-CG2 4.02Å; E426-T489 VanDerWaalsContact CG-OG1 3.3Å; E426-T489 WeakPolarHBondContact CG-OG1 3.48Å; E426-T489 PolarHBondContact N-OG1 3.44Å; E426-T489 WeakPolarHBondContact OE2-CB 3.35Å; E426-T489 PolarHBondContact OE2-OG1 2.81Å; E426-P493 HydrophobicContact CG-CB 4.26Å; E426-P493 HydrophobicContact CG-CG 3.86Å
427D95.8Very high95.5Very high100 Ų10032 Ų3254%0.53519%0.187SC..Hα-helixtrans-60.8-43.6173.2-66.8-30.9000111.7M429 A430 S431D427-M429 VanDerWaalsContact C-N 3.31Å; D427-M429 PolarHBondContact O-N 3.09Å; D427-A430 PolarHBondContact O-N 2.87Å; D427-S431 WeakPolarHBondContact O-CB 3.32Å; D427-S431 PolarHBondContact O-N 3.25Å
428H96.6Very high95.3Very high31 Ų3133.5 Ų33.514%0.14420%0.197CC..Hα-helixtrans-62.7-39.8175.7-71.5-176.1000111.2L344 P346 P364 Y422 S424 L425 E426 S431 V432L344-H428 PolarHBondContact O-CE1 2.79Å; P346-H428 HydrophobicContact CG-CB 3.94Å; P364-H428 HydrophobicContact CG-CB 3.79Å; Y422-H428 AromaticContact CE2-CE1 3.86Å; Y422-H428 AromaticContact CE2-ND1 3.46Å; Y422-H428 WeakPolarHBondContact CE2-ND1 3.39Å; Y422-H428 AromaticContact CZ-ND1 3.58Å; Y422-H428 PolarHBondContact OH-ND1 2.99Å; S424-H428 WeakPolarHBondContact O-CB 3.41Å; S424-H428 PolarHBondContact O-CD2 2.98Å; S424-H428 VanDerWaalsContact O-CD2 3.27Å; S424-H428 PolarHBondContact O-N 3.23Å; L425-H428 PolarHBondContact O-N 2.86Å; E426-H428 VanDerWaalsContact C-N 3.34Å; E426-H428 PolarHBondContact O-N 2.98Å; H428-S431 PolarHBondContact O-N 3.11Å; H428-S431 PolarHBondContact O-OG 2.88Å; H428-V432 WeakPolarHBondContact O-CG2 3.41Å; H428-V432 PolarHBondContact O-N 3.42Å
429M97.4Very high95.1Very high7 Ų736 Ų363%0.03421%0.21CC..Hα-helixtrans-64.2-47.1177.8-76.7178.969.100111.2P364 V382 L399 L425 E426 D427 S431 V432 G433 L434 V436 P493P364-M429 HydrophobicContact CB-CG 4.13Å; P364-M429 HydrophobicContact CG-CB 4.22Å; P364-M429 HydrophobicContact CG-CG 3.43Å; P364-M429 VanDerWaalsContact CG-CG 3.43Å; V382-M429 HydrophobicContact CG1-CE 4.03Å; V382-M429 HydrophobicContact CG1-CG 4.35Å; V382-M429 HydrophobicContact CG1-SD 4.46Å; V382-M429 HydrophobicContact CG2-SD 4.42Å; L399-M429 HydrophobicContact CD1-CE 4.34Å; L425-M429 HydrophobicContact CD1-CG 4.05Å; L425-M429 HydrophobicContact CD1-SD 4.17Å; L425-M429 HydrophobicContact CG-CG 4.45Å; L425-M429 HydrophobicContact CG-SD 4.12Å; L425-M429 WeakPolarHBondContact O-CG 3.5Å; L425-M429 PolarHBondContact O-N 3.08Å; E426-M429 WeakPolarHBondContact O-CB 3.38Å; E426-M429 PolarHBondContact O-N 2.97Å; E426-M429 VanDerWaalsContact O-N 3.14Å; D427-M429 VanDerWaalsContact C-N 3.31Å; D427-M429 PolarHBondContact O-N 3.09Å; M429-S431 PolarHBondContact O-N 2.91Å; M429-V432 CarbonylContact O-C 3.57Å; M429-V432 WeakPolarHBondContact O-CG2 3.23Å; M429-V432 PolarHBondContact O-N 3.14Å; M429-G433 PolarHBondContact O-N 3.02Å; M429-L434 PolarHBondContact O-N 3.06Å; M429-V436 HydrophobicContact CE-CG1 3.98Å; M429-P493 HydrophobicContact SD-CB 4Å; M429-P493 HydrophobicContact SD-CG 4.08Å
430A96.7Very high95.1Very high48 Ų4836.3 Ų36.340%0.39721%0.214SC..Hα-helixtrans-60-44.6175.800000111.5P85 E426 D427 V432 G433P85-A430 WeakPolarHBondContact CB-O 3.04Å; E426-A430 WeakPolarHBondContact O-CB 3.29Å; E426-A430 PolarHBondContact O-N 3.05Å; D427-A430 PolarHBondContact O-N 2.87Å; A430-V432 PolarHBondContact O-N 3.44Å; A430-V432 VanDerWaalsContact O-N 3.16Å; A430-G433 PolarHBondContact O-N 2.96Å
431S95.9Very high95.2Very high62 Ų6237 Ų3743%0.43422%0.216SC..Hα-helixtrans-61.4-26.9-179.978.40000114P85 D427 H428 M429P85-S431 WeakPolarHBondContact CG-O 3.46Å; D427-S431 WeakPolarHBondContact O-CB 3.32Å; D427-S431 PolarHBondContact O-N 3.25Å; H428-S431 PolarHBondContact O-N 3.11Å; H428-S431 PolarHBondContact O-OG 2.88Å; M429-S431 PolarHBondContact O-N 2.91Å
432V95.4Very high95.3Very high7 Ų736 Ų364%0.04222%0.215CC..THydrogen-bonded Turntrans-102.35.3175.9-58.20000112.7R88 P346 P364 Q366 H428 M429 A430 L434R88-V432 PolarHBondContact NH1-O 3.44Å; R88-V432 PolarHBondContact NH2-O 3.45Å; P346-V432 HydrophobicContact CB-CG1 3.55Å; P364-V432 HydrophobicContact CB-CG2 3.5Å; Q366-V432 HydrophobicContact CB-CB 4.12Å; Q366-V432 HydrophobicContact CB-CG1 4.37Å; Q366-V432 HydrophobicContact CG-CB 4.3Å; H428-V432 WeakPolarHBondContact O-CG2 3.41Å; H428-V432 PolarHBondContact O-N 3.42Å; M429-V432 CarbonylContact O-C 3.57Å; M429-V432 WeakPolarHBondContact O-CG2 3.23Å; M429-V432 PolarHBondContact O-N 3.14Å; A430-V432 PolarHBondContact O-N 3.44Å; A430-V432 VanDerWaalsContact O-N 3.16Å; V432-L434 HydrophobicContact CG2-CB 4.16Å; V432-L434 HydrophobicContact CG2-CD1 3.78Å; V432-L434 HydrophobicContact CG2-CG 3.85Å
433G96.4Very high95.3Very high5 Ų541.7 Ų41.75%0.05224%0.242CC..THydrogen-bonded Turntrans64.339.3177.700000114.2P85 R88 M429 A430P85-G433 WeakPolarHBondContact O-CA 3.49Å; R88-G433 WeakPolarHBondContact CB-O 3.39Å; M429-G433 PolarHBondContact O-N 3.02Å; A430-G433 PolarHBondContact O-N 2.96Å
434L96.6Very high95.3Very high14 Ų1441.3 Ų41.37%0.07324%0.239CC..  trans-111.3123.1173.7-68.2175.3000109.6P364 V365 V382 P401 M429 V432P364-L434 HydrophobicContact CB-CD1 4.47Å; V365-L434 WeakPolarHBondContact O-CD1 3.23Å; V382-L434 HydrophobicContact CG1-CB 4.34Å; V382-L434 HydrophobicContact CG1-CD1 3.97Å; P401-L434 HydrophobicContact CG-CD2 4.43Å; M429-L434 PolarHBondContact O-N 3.06Å; V432-L434 HydrophobicContact CG2-CB 4.16Å; V432-L434 HydrophobicContact CG2-CD1 3.78Å; V432-L434 HydrophobicContact CG2-CG 3.85Å
435A95.7Very high95.2Very high29 Ų2941.9 Ų41.924%0.2424%0.24CC..  trans-95.5169.2174.800000111.3L89 A92 L399 V437L89-A435 HydrophobicContact CD2-CB 3.99Å; A92-A435 HydrophobicContact CB-CB 3.82Å; L399-A435 WeakPolarHBondContact CD2-O 3.33Å; A435-V437 VanDerWaalsContact C-N 3.27Å; A435-V437 WeakPolarHBondContact CB-O 3.13Å
436V95.4Very high94.9Very high51 Ų5143.7 Ų43.731%0.30925%0.251SS..SBendtrans-74.9-19.7175.1-62.50000113L399 M429 P493L399-V436 HydrophobicContact CD1-CG1 4.49Å; M429-V436 HydrophobicContact CE-CG1 3.98Å; V436-P493 HydrophobicContact CG1-CB 3.73Å
437V93.3Very high94.3Very high72 Ų7239.4 Ų39.444%0.43623%0.231SC..  trans-135.6146.3176.4-700000109.7A435A435-V437 VanDerWaalsContact C-N 3.27Å; A435-V437 WeakPolarHBondContact CB-O 3.13Å
438P92.8Very high93Very high35 Ų3535.9 Ų35.923%0.22722%0.219CC..SBendcis-67157.7-5.130.1-35.4000112.2L95 P401L95-P438 HydrophobicContact CB-CG 4.17Å; L95-P438 HydrophobicContact CD1-CG 4.45Å; P401-P438 VanDerWaalsContact CA-O 3.29Å; P401-P438 WeakPolarHBondContact CA-O 3.42Å; P401-P438 HydrophobicContact CB-CG 3.89Å
439N94.5Very high91.2Very high59 Ų5940.4 Ų40.432%0.31625%0.248SC..  trans-137.6108.6179.4-172.210000110.3T400 W441T400-N439 PolarHBondContact N-OD1 3.47Å; T400-N439 CarbonylContact O-C 3.54Å; T400-N439 WeakPolarHBondContact O-CA 3.45Å; T400-N439 PolarHBondContact O-OD1 2.9Å; N439-W441 VanDerWaalsContact OD1-CD1 3.31Å
440A94.8Very high89Confident12 Ų1249 Ų4910%0.09929%0.289CS..  trans-112.923.1-171.700000113T400 P404 D442 Q443T400-A440 PolarHBondContact O-N 3.15Å; P404-A440 WeakPolarHBondContact CD-O 3.41Å; A440-D442 PolarHBondContact O-N 3Å; A440-D442 VanDerWaalsContact O-N 3.08Å; A440-Q443 PolarHBondContact O-N 3.23Å
441W95.9Very high87.2Confident14 Ų1447.7 Ų47.75%0.05328%0.279CS..THydrogen-bonded Turntrans-56-26.1-175.772.2-86.1000114.5A398 T400 L415 A416 P417 N439 L470 P497 Y500A398-W441 HydrophobicContact CB-CB 4.19Å; A398-W441 WeakPolarHBondContact O-CB 3.2Å; T400-W441 HydrophobicContact CG2-CB 4.4Å; L415-W441 HydrophobicContact CB-CE3 4.45Å; L415-W441 HydrophobicContact CB-CZ3 4.47Å; A416-W441 VanDerWaalsContact C-CZ3 3.42Å; P417-W441 HydrophobicContact CB-CD2 4.46Å; P417-W441 HydrophobicContact CB-CZ2 4Å; P417-W441 HydrophobicContact CG-CH2 4.48Å; P417-W441 HydrophobicContact CG-CZ2 4.23Å; N439-W441 VanDerWaalsContact OD1-CD1 3.31Å; W441-L470 HydrophobicContact CZ3-CD2 4.11Å; W441-P497 HydrophobicContact CZ2-CG 4.26Å; W441-Y500 HydrophobicContact CH2-CE2 4.06Å; W441-Y500 WeakPolarHBondContact CH2-OH 3.49Å; W441-Y500 HydrophobicContact CZ2-CE2 4.15Å
442D95.3Very high85.4Confident64 Ų6446.6 Ų46.634%0.34227%0.269SS..THydrogen-bonded Turntrans-95.10.1-177.862-20.3000113.9A440 P444 L470A440-D442 PolarHBondContact O-N 3Å; A440-D442 VanDerWaalsContact O-N 3.08Å; D442-P444 WeakPolarHBondContact O-CD 3.41Å; D442-L470 HydrophobicContact CB-CD1 4.22Å; D442-L470 HydrophobicContact CB-CD2 4.31Å
443Q93.7Very high83.5Confident121 Ų12148.7 Ų48.757%0.56529%0.286SS*.  trans-114.466.4-178.6-62.2178.922.100111.5C403 A440C403-Q443 WeakPolarHBondContact CA-O 3.35Å; C403-Q443 WeakPolarHBondContact CB-O 3.44Å; C403-Q443 PolarHBondContact SG-O 3.26Å; C403-Q443 VanDerWaalsContact SG-O 3.36Å; A440-Q443 PolarHBondContact O-N 3.23Å
444P94.3Very high81Confident19 Ų1953.5 Ų53.512%0.12332%0.319CS..PPolyproline II helixtrans-71.4144.9-177.730.4-35.4000112.5P404 L406 L415 D442 Y468P404-P444 HydrophobicContact CB-CB 4.36Å; P404-P444 CarbonylContact O-C 3.51Å; P404-P444 WeakPolarHBondContact O-CA 3.3Å; L406-P444 HydrophobicContact CD1-CB 3.81Å; L406-P444 HydrophobicContact CD1-CG 4.26Å; L406-P444 HydrophobicContact CG-CB 3.91Å; L415-P444 HydrophobicContact CD1-CB 3.84Å; L415-P444 HydrophobicContact CD1-CG 3.76Å; D442-P444 WeakPolarHBondContact O-CD 3.41Å; P444-Y468 HydrophobicContact CG-CD1 4.38Å; P444-Y468 HydrophobicContact CG-CD2 3.97Å; P444-Y468 HydrophobicContact CG-CE1 3.84Å; P444-Y468 HydrophobicContact CG-CE2 3.39Å; P444-Y468 HydrophobicContact CG-CG 4.44Å
445L91.8Very high78.3Confident34 Ų3457.6 Ų57.618%0.17835%0.347CS..EExtended strand (participates in β ladder)trans-99.4119.9171.5-171.667.7000109.4D68 L72 C403 P404 L405 L406 L452D68-L445 HydrophobicContact CB-CD1 3.93Å; D68-L445 HydrophobicContact CB-CD2 4.35Å; L72-L445 HydrophobicContact CD2-CD2 4.42Å; C403-L445 HydrophobicContact CB-CB 4.36Å; P404-L445 PolarHBondContact O-N 2.9Å; L405-L445 HydrophobicContact CD1-CB 4.05Å; L405-L445 HydrophobicContact CD1-CD2 3.94Å; L405-L445 HydrophobicContact CD1-CG 4.19Å; L406-L445 PolarHBondContact N-O 3.43Å; L445-L452 HydrophobicContact CD1-CD1 4.41Å; L445-L452 HydrophobicContact CD1-CD2 3.48Å; L445-L452 VanDerWaalsContact CD1-CD2 3.48Å; L445-L452 HydrophobicContact CD2-CD2 3.88Å; L445-L452 HydrophobicContact CG-CD2 3.54Å
446V89.6Confident75.7Confident37 Ų3762.1 Ų62.122%0.22437%0.374CS..EExtended strand (participates in β ladder)trans-95.4117.1-179-172.50000110.6L406 L452 A453 Y468L406-V446 HydrophobicContact CB-CG2 4.31Å; L406-V446 HydrophobicContact CD1-CG2 4.14Å; V446-L452 WeakPolarHBondContact O-CA 3.33Å; V446-A453 HydrophobicContact CB-CB 4.17Å; V446-A453 HydrophobicContact CG1-CB 3.84Å; V446-A453 PolarHBondContact O-N 2.98Å; V446-Y468 HydrophobicContact CG2-CE1 4.18Å
447L82.8Confident73.1Confident7 Ų767 Ų674%0.03740%0.397CS..EExtended strand (participates in β ladder)trans-95.7114.5169.9-69.8173.7000109.5L20 V22 L69 L72 L405 L406 L407 P408 G451 L452L20-L447 HydrophobicContact CD1-CD1 4.46Å; V22-L447 HydrophobicContact CG2-CD1 4.33Å; L69-L447 HydrophobicContact CD1-CD2 4.08Å; L72-L447 HydrophobicContact CD2-CD1 4.06Å; L405-L447 HydrophobicContact CD1-CD1 3.55Å; L405-L447 HydrophobicContact CD1-CG 3.79Å; L405-L447 HydrophobicContact CD2-CD1 3.75Å; L405-L447 HydrophobicContact CG-CD1 3.84Å; L405-L447 HydrophobicContact CG-CG 4.43Å; L406-L447 PolarHBondContact O-N 3.44Å; L407-L447 HydrophobicContact CD2-CB 4.43Å; L407-L447 HydrophobicContact CD2-CD1 3.78Å; P408-L447 WeakPolarHBondContact CD-O 3.44Å; P408-L447 WeakPolarHBondContact CG-O 3.49Å; L447-G451 CarbonylContact C-O 3.56Å; L447-L452 HydrophobicContact CD2-CD2 3.55Å; L447-L452 HydrophobicContact CD2-CG 4.23Å; L447-L452 HydrophobicContact CG-CD2 4.37Å
448G68.7Low70.4Confident26 Ų2669 Ų6927%0.26841%0.414SS..EExtended strand (participates in β ladder)trans-84.1-179.9167.500000113.1E450 G451G448-E450 VanDerWaalsContact C-N 3.25Å; G448-E450 PolarHBondContact O-N 2.76Å; G448-G451 CarbonylContact C-O 3.52Å; G448-G451 WeakPolarHBondContact CA-O 3.33Å; G448-G451 PolarHBondContact N-O 3.3Å; G448-G451 PolarHBondContact O-N 2.69Å
449T58.3Low67.5Low125 Ų12571.6 Ų71.677%0.76743%0.434SS*.THydrogen-bonded Turntrans-65.9-23.5-175.7-36.80000113.7
450E51.9Low64.8Low189 Ų18975.6 Ų75.688%0.88346%0.463SS*.THydrogen-bonded Turntrans-116.610.1-178.1-69.3-69.6166.600113.3G448G448-E450 VanDerWaalsContact C-N 3.25Å; G448-E450 PolarHBondContact O-N 2.76Å
451G58.7Low61.9Low19 Ų1980.2 Ų80.220%0.19649%0.494CS..EExtended strand (participates in β ladder)trans136.5-155.9-176.200000112.9L447 G448 A453L447-G451 CarbonylContact C-O 3.56Å; G448-G451 CarbonylContact C-O 3.52Å; G448-G451 WeakPolarHBondContact CA-O 3.33Å; G448-G451 PolarHBondContact N-O 3.3Å; G448-G451 PolarHBondContact O-N 2.69Å; G451-A453 PolarHBondContact O-N 2.81Å
452L56.8Low59.1Low40 Ų4082.8 Ų82.821%0.20952%0.515CS..EExtended strand (participates in β ladder)trans-65.9133.7174.3-69.5171.3000110.4P66 D68 L69 L445 V446 L447P66-L452 HydrophobicContact CB-CD1 3.51Å; P66-L452 HydrophobicContact CB-CG 4.44Å; P66-L452 HydrophobicContact CG-CD1 4.08Å; D68-L452 HydrophobicContact CB-CD1 3.8Å; L69-L452 HydrophobicContact CB-CD1 4.25Å; L69-L452 HydrophobicContact CB-CG 4.43Å; L445-L452 HydrophobicContact CD1-CD1 4.41Å; L445-L452 HydrophobicContact CD1-CD2 3.48Å; L445-L452 VanDerWaalsContact CD1-CD2 3.48Å; L445-L452 HydrophobicContact CD2-CD2 3.88Å; L445-L452 HydrophobicContact CG-CD2 3.54Å; V446-L452 WeakPolarHBondContact O-CA 3.33Å; L447-L452 HydrophobicContact CD2-CD2 3.55Å; L447-L452 HydrophobicContact CD2-CG 4.23Å; L447-L452 HydrophobicContact CG-CD2 4.37Å
453A57Low56.4Low50 Ų5085.2 Ų85.241%0.41354%0.537SS..PPolyproline II helixtrans-76.4124.4168.300000108.3V446 G451V446-A453 HydrophobicContact CB-CB 4.17Å; V446-A453 HydrophobicContact CG1-CB 3.84Å; V446-A453 PolarHBondContact O-N 2.98Å; G451-A453 PolarHBondContact O-N 2.81Å
454S43.4Very low53.9Low106 Ų10685.7 Ų85.774%0.74154%0.543SS*.PPolyproline II helixtrans-57.8140.3176.5-370000110.3
455P40.1Very low51.8Low101 Ų10189.9 Ų89.966%0.65657%0.573SS**PPolyproline II helixtrans-60.9139.4160.926.2-30000108.2L457P455-L457 VanDerWaalsContact C-N 3.35Å; P455-L457 PolarHBondContact O-N 3.05Å
456P40.8Very low50.6Low124 Ų12493.2 Ų93.281%0.80559%0.594SS**  trans-70.492.4-174.827.6-32.6000109.7
457L40.8Very low50.3Low152 Ų15292.8 Ų92.880%0.79659%0.593SS**  trans-90.1109.9159.3-78.4149.9000106.6P455P455-L457 VanDerWaalsContact C-N 3.35Å; P455-L457 PolarHBondContact O-N 3.05Å
458S36.6Very low50.8Low114 Ų11495.8 Ų95.880%0.79760%0.604SS**SBendtrans6788.9164.957.20000118.9
459S32.6Very low52.1Low91 Ų9199.8 Ų99.864%0.63661%0.611SS**  162.4128.7126.946.30000110.9S461S459-S461 VanDerWaalsContact C-N 3.33Å; S459-S461 PolarHBondContact O-N 3.4Å
460P37.6Very low53.9Low142 Ų14297.3 Ų97.392%0.92259%0.593SS**  trans-93.848-17538.5-34.4000112
461S34.5Very low56Low109 Ų10989.1 Ų89.176%0.76256%0.555SS**SBendtrans-126.714-174.1590000116S459S459-S461 VanDerWaalsContact C-N 3.33Å; S459-S461 PolarHBondContact O-N 3.4Å
462S36.3Very low57.8Low69 Ų6990 Ų9048%0.48356%0.558SS.*SBendtrans-133139.6156.142.40000107.7D464S462-D464 PolarHBondContact O-N 2.7Å; S462-D464 PolarHBondContact OG-OD2 2.83Å
463S39Very low59.7Low115 Ų11590.1 Ų90.180%0.80456%0.561SS**  trans-68.362.7176.354.30000111.5S465S463-S465 PolarHBondContact O-N 3.03Å
464D40.7Very low61.3Low131 Ų13191.8 Ų91.870%0.70157%0.569SS**  trans-80.579.5178.4-69.3-29.6000108.4S462 T466S462-D464 PolarHBondContact O-N 2.7Å; S462-D464 PolarHBondContact OG-OD2 2.83Å; D464-T466 PolarHBondContact O-N 3.35Å; D464-T466 VanDerWaalsContact O-N 3.13Å
465S50.1Low63.6Low107 Ų10791 Ų9175%0.74855%0.554SS**  trans-55111.9176.5-59.10000110.4S463 C467S463-S465 PolarHBondContact O-N 3.03Å; S465-C467 PolarHBondContact O-N 2.95Å
466T66.8Low66.2Low103 Ų10386.2 Ų86.263%0.63252%0.523SS*.  trans-53.6114.4164.348.90000108D464 Y468D464-T466 PolarHBondContact O-N 3.35Å; D464-T466 VanDerWaalsContact O-N 3.13Å; T466-Y468 PolarHBondContact O-N 3.32Å
467C83.8Confident68.4Low29 Ų2986.2 Ų86.220%0.19651%0.511CS..SBendtrans-68.1-4.4-175.563.10000113.5N410 D412 L413 S465N410-C467 HydrophobicContact CB-CB 4.21Å; N410-C467 WeakPolarHBondContact O-CB 3.15Å; D412-C467 PolarHBondContact N-O 3.12Å; L413-C467 WeakPolarHBondContact CB-O 3.44Å; L413-C467 WeakPolarHBondContact CG-O 3.19Å; L413-C467 PolarHBondContact N-O 2.88Å; S465-C467 PolarHBondContact O-N 2.95Å
468Y93.3Very high70.6Confident69 Ų6983 Ų8327%0.27150%0.498SS..EExtended strand (participates in β ladder)trans-140159.8178.878.6-81.2000112.4L406 L413 L415 P444 V446 T466 L470L406-Y468 HydrophobicContact CD1-CD1 3.42Å; L406-Y468 VanDerWaalsContact CD1-CD1 3.42Å; L406-Y468 HydrophobicContact CD1-CE1 4.09Å; L406-Y468 HydrophobicContact CD1-CG 3.72Å; L413-Y468 CarbonylContact O-C 3.47Å; L413-Y468 WeakPolarHBondContact O-CA 3.4Å; L415-Y468 HydrophobicContact CD1-CD2 4.06Å; L415-Y468 HydrophobicContact CG-CD2 4.49Å; P444-Y468 HydrophobicContact CG-CD1 4.38Å; P444-Y468 HydrophobicContact CG-CD2 3.97Å; P444-Y468 HydrophobicContact CG-CE1 3.84Å; P444-Y468 HydrophobicContact CG-CE2 3.39Å; P444-Y468 HydrophobicContact CG-CG 4.44Å; V446-Y468 HydrophobicContact CG2-CE1 4.18Å; T466-Y468 PolarHBondContact O-N 3.32Å; Y468-L470 HydrophobicContact CE2-CD2 4.43Å
469R94.9Very high73Confident111 Ų11178.9 Ų78.942%0.41947%0.467SS..EExtended strand (participates in β ladder)trans-133.5156.8165.866.6176.9-171.9126.32.1110.1L413 T414 L415 P472 E475L413-R469 PolarHBondContact O-N 3.37Å; T414-R469 CarbonylContact C-O 3.57Å; T414-R469 WeakPolarHBondContact CA-O 3.47Å; T414-R469 HydrophobicContact CG2-CG 4.41Å; T414-R469 PolarHBondContact OG1-NE 3.08Å; L415-R469 PolarHBondContact N-O 3.06Å; R469-P472 VanDerWaalsContact NH1-CD 3.28Å; R469-E475 IonicContact CZ-OE2 3.4Å; R469-E475 IonicContact NH1-OE1 3.05Å; R469-E475 PolarHBondContact NH1-OE1 3.24Å; R469-E475 IonicContact NH1-OE2 3.51Å; R469-E475 PolarHBondContact NH1-OE2 2.83Å; R469-E475 IonicContact NH2-OE2 3.05Å; R469-E475 PolarHBondContact NH2-OE2 3.48Å
470L96.9Very high75.6Confident73 Ų7378.5 Ų78.538%0.38247%0.469SS..EExtended strand (participates in β ladder)trans-81.6142.1164.6-55.9-175.6000109.1L415 W441 D442 Y468 P472L415-L470 HydrophobicContact CB-CD2 3.97Å; L415-L470 CarbonylContact O-C 3.57Å; L415-L470 WeakPolarHBondContact O-CA 3.48Å; W441-L470 HydrophobicContact CZ3-CD2 4.11Å; D442-L470 HydrophobicContact CB-CD1 4.22Å; D442-L470 HydrophobicContact CB-CD2 4.31Å; Y468-L470 HydrophobicContact CE2-CD2 4.43Å; L470-P472 VanDerWaalsContact O-CD 3.3Å; L470-P472 WeakPolarHBondContact O-CD 3.3Å
471L96.4Very high77.9Confident17 Ų1772.9 Ų72.99%0.08943%0.432CS..PPolyproline II helixtrans-65.5121178.2-178.164.6000109.9T414 L415 A416 E475 F476 Y500T414-L471 HydrophobicContact CG2-CB 3.68Å; T414-L471 HydrophobicContact CG2-CD1 3.91Å; T414-L471 HydrophobicContact CG2-CG 4.35Å; L415-L471 PolarHBondContact O-N 2.9Å; A416-L471 HydrophobicContact CB-CB 3.73Å; A416-L471 HydrophobicContact CB-CD2 3.7Å; A416-L471 HydrophobicContact CB-CG 4.4Å; L471-E475 HydrophobicContact CD1-CB 3.87Å; L471-F476 HydrophobicContact CD2-CB 4.25Å; L471-F476 HydrophobicContact CD2-CD2 3.85Å; L471-Y500 VanDerWaalsContact O-CE1 3.29Å; L471-Y500 WeakPolarHBondContact O-CE1 3Å; L471-Y500 PolarHBondContact O-OH 3.43Å
472P96.1Very high80.2Confident38 Ų3870.5 Ų70.525%0.24742%0.415CS..PPolyproline II helixtrans-59.3137177.2-27.137.7000111.5R469 L470 S474 E475 F476R469-P472 VanDerWaalsContact NH1-CD 3.28Å; L470-P472 VanDerWaalsContact O-CD 3.3Å; L470-P472 WeakPolarHBondContact O-CD 3.3Å; P472-S474 PolarHBondContact O-N 3.22Å; P472-S474 VanDerWaalsContact O-N 3.08Å; P472-E475 HydrophobicContact CB-CG 4.36Å; P472-E475 PolarHBondContact O-N 2.89Å; P472-F476 PolarHBondContact O-N 3.4Å
473P95.4Very high82.3Confident42 Ų4270.2 Ų70.227%0.27341%0.405SS..THydrogen-bonded Turntrans-55-29.3177.3-29.836.4000114F476 A499 Y500 A503P473-F476 WeakPolarHBondContact O-CB 3.41Å; P473-F476 PolarHBondContact O-N 2.93Å; P473-A499 HydrophobicContact CG-CB 4.1Å; P473-Y500 HydrophobicContact CB-CD1 4.28Å; P473-Y500 HydrophobicContact CB-CG 4.49Å; P473-Y500 HydrophobicContact CG-CD1 4.34Å; P473-Y500 HydrophobicContact CG-CD2 4.46Å; P473-Y500 HydrophobicContact CG-CE1 4.27Å; P473-Y500 HydrophobicContact CG-CE2 4.4Å; P473-Y500 HydrophobicContact CG-CG 4.45Å; P473-A503 HydrophobicContact CB-CB 3.78Å; P473-A503 VanDerWaalsContact O-CB 3.24Å; P473-A503 WeakPolarHBondContact O-CB 3.23Å
474S91.8Very high84.4Confident84 Ų8474.2 Ų74.259%0.58741%0.411SS*.THydrogen-bonded Turntrans-65.1-35175.152.60000113.3P472 K507P472-S474 PolarHBondContact O-N 3.22Å; P472-S474 VanDerWaalsContact O-N 3.08Å; S474-K507 VanDerWaalsContact O-CE 3.23Å; S474-K507 WeakPolarHBondContact O-CE 3.4Å; S474-K507 PolarHBondContact O-NZ 3.1Å
475E92.1Very high86.5Confident90 Ų9070 Ų7042%0.42139%0.387SS..THydrogen-bonded Turntrans-83-13.6179.1-69.9173.7-146.300112.5R469 L471 P472 H477R469-E475 IonicContact CZ-OE2 3.4Å; R469-E475 IonicContact NH1-OE1 3.05Å; R469-E475 PolarHBondContact NH1-OE1 3.24Å; R469-E475 IonicContact NH1-OE2 3.51Å; R469-E475 PolarHBondContact NH1-OE2 2.83Å; R469-E475 IonicContact NH2-OE2 3.05Å; R469-E475 PolarHBondContact NH2-OE2 3.48Å; L471-E475 HydrophobicContact CD1-CB 3.87Å; P472-E475 HydrophobicContact CB-CG 4.36Å; P472-E475 PolarHBondContact O-N 2.89Å; E475-H477 PolarHBondContact O-CE1 3.42Å; E475-H477 PolarHBondContact O-ND1 2.73Å
476F93.2Very high88.2Confident1 Ų173.5 Ų73.50%0.00439%0.392CS..  trans-74.2132.4-172.8178.4-99.9000113.6P417 H419 L471 P472 P473 T478 L496 Y500 L504 K507P417-F476 HydrophobicContact CG-CE2 3.99Å; P417-F476 HydrophobicContact CG-CZ 4.39Å; H419-F476 HydrophobicContact CB-CE2 3.79Å; H419-F476 HydrophobicContact CB-CZ 3.4Å; H419-F476 VanDerWaalsContact CB-CZ 3.4Å; L471-F476 HydrophobicContact CD2-CB 4.25Å; L471-F476 HydrophobicContact CD2-CD2 3.85Å; P472-F476 PolarHBondContact O-N 3.4Å; P473-F476 WeakPolarHBondContact O-CB 3.41Å; P473-F476 PolarHBondContact O-N 2.93Å; F476-T478 HydrophobicContact CE1-CG2 4.43Å; F476-L496 HydrophobicContact CE1-CD1 3.75Å; F476-L496 HydrophobicContact CE1-CD2 4.24Å; F476-L496 HydrophobicContact CZ-CD1 4.09Å; F476-L496 HydrophobicContact CZ-CD2 3.75Å; F476-Y500 HydrophobicContact CB-CD1 3.75Å; F476-Y500 HydrophobicContact CB-CE1 4.2Å; F476-Y500 HydrophobicContact CD1-CD1 4.02Å; F476-Y500 AromaticContact CD2-CD1 3.78Å; F476-Y500 HydrophobicContact CD2-CD1 3.78Å; F476-Y500 HydrophobicContact CD2-CE1 4.16Å; F476-Y500 HydrophobicContact CE2-CD1 4.31Å; F476-Y500 AromaticContact CG-CD1 3.59Å; F476-Y500 HydrophobicContact CG-CD1 3.59Å; F476-Y500 HydrophobicContact CG-CE1 4.27Å; F476-L504 HydrophobicContact CD1-CD1 4.36Å; F476-L504 HydrophobicContact CD1-CD2 3.9Å; F476-L504 HydrophobicContact CD1-CG 4.01Å; F476-L504 HydrophobicContact CE1-CD1 3.88Å; F476-L504 HydrophobicContact CE1-CD2 4.18Å; F476-L504 HydrophobicContact CE1-CG 4.04Å; F476-K507 PolarHBondContact O-NZ 2.95Å
477H88.4Confident89.2Confident123 Ų12370.4 Ų70.457%0.56938%0.381SS*.  trans-135.4147176-60.790.9000109.5E475 K507E475-H477 PolarHBondContact O-CE1 3.42Å; E475-H477 PolarHBondContact O-ND1 2.73Å; H477-K507 PolarHBondContact CD2-NZ 3.29Å; H477-K507 PolarHBondContact CE1-NZ 2.96Å; H477-K507 VanDerWaalsContact CE1-NZ 3.29Å; H477-K507 PolarHBondContact NE2-NZ 3.49Å
478T86.5Confident89.5Confident85 Ų8575.9 Ų75.952%0.52141%0.408SS..PPolyproline II helixtrans-80.7138.1176.451.50000110.8F476 L504F476-T478 HydrophobicContact CE1-CG2 4.43Å; T478-L504 HydrophobicContact CG2-CD1 3.59Å; T478-L504 HydrophobicContact CG2-CD2 4.36Å
479L87.1Confident89.4Confident28 Ų2872.9 Ų72.915%0.14740%0.397CS..PPolyproline II helixtrans-95.7130.8171-177.1145.1000109.4V361 H419 I420V361-L479 HydrophobicContact CG2-CD2 4.33Å; H419-L479 PolarHBondContact CD2-N 3.24Å; H419-L479 VanDerWaalsContact NE2-CB 3.27Å; H419-L479 WeakPolarHBondContact NE2-CB 3.35Å; H419-L479 PolarHBondContact NE2-N 3.43Å; I420-L479 HydrophobicContact CG2-CB 3.9Å; I420-L479 HydrophobicContact CG2-CD2 3.82Å; I420-L479 HydrophobicContact CG2-CG 4.47Å; I420-L479 WeakPolarHBondContact CG2-O 3.47Å
480A86.3Confident89.1Confident82 Ų8272.4 Ų72.468%0.67841%0.41SS*.PPolyproline II helixtrans-91.7137.417100000109.7P482A480-P482 WeakPolarHBondContact O-CD 3.4Å
481V86.7Confident88.8Confident24 Ų2476 Ų7615%0.14542%0.424CS..PPolyproline II helixtrans-79.5116171177.60000107.8L344 I420 F421 F483L344-V481 HydrophobicContact CD1-CG1 3.53Å; I420-V481 HydrophobicContact CB-CG2 4.47Å; I420-V481 HydrophobicContact CD1-CG2 4.22Å; F421-V481 WeakPolarHBondContact O-CG2 3.29Å; V481-F483 HydrophobicContact CG1-CD2 3.85Å; V481-F483 PolarHBondContact O-N 3.02Å
482P82.2Confident88.7Confident60 Ų6076.3 Ų76.339%0.3943%0.427SS..  trans-83.622.8-167.734.1-36.1000113.8A480 L555A480-P482 WeakPolarHBondContact O-CD 3.4Å; P482-L555 HydrophobicContact CB-CD1 3.95Å; P482-L555 HydrophobicContact CB-CD2 4.16Å; P482-L555 HydrophobicContact CG-CD1 3.93Å; P482-L555 HydrophobicContact CG-CD2 3.7Å
483F81.6Confident88.5Confident62 Ų6274.7 Ų74.727%0.27242%0.417SS..SBendtrans-121.6136.1-174.8-50.5-69.9000111.1T318 A320 Y342 L344 V481 L555T318-F483 HydrophobicContact CG2-CZ 4.45Å; A320-F483 HydrophobicContact CB-CD1 3.82Å; A320-F483 HydrophobicContact CB-CD2 3.8Å; A320-F483 HydrophobicContact CB-CE1 3.35Å; A320-F483 HydrophobicContact CB-CE2 3.34Å; A320-F483 HydrophobicContact CB-CG 4.05Å; A320-F483 HydrophobicContact CB-CZ 3.12Å; Y342-F483 AromaticContact CD1-CE2 3.84Å; Y342-F483 HydrophobicContact CD1-CE2 3.84Å; Y342-F483 AromaticContact CD2-CE2 3.53Å; Y342-F483 HydrophobicContact CD2-CE2 3.53Å; Y342-F483 AromaticContact CD2-CZ 3.84Å; Y342-F483 HydrophobicContact CD2-CZ 3.84Å; Y342-F483 HydrophobicContact CE1-CE2 4.22Å; Y342-F483 AromaticContact CE2-CE2 3.93Å; Y342-F483 HydrophobicContact CE2-CE2 3.93Å; Y342-F483 HydrophobicContact CE2-CZ 4.05Å; Y342-F483 HydrophobicContact CG-CD2 4.41Å; Y342-F483 AromaticContact CG-CE2 3.5Å; Y342-F483 HydrophobicContact CG-CE2 3.5Å; Y342-F483 VanDerWaalsContact CG-CE2 3.5Å; Y342-F483 HydrophobicContact CG-CZ 4.27Å; L344-F483 HydrophobicContact CD1-CD2 4.38Å; V481-F483 HydrophobicContact CG1-CD2 3.85Å; V481-F483 PolarHBondContact O-N 3.02Å; F483-L555 HydrophobicContact CE1-CD2 4.09Å; F483-L555 HydrophobicContact CZ-CD2 3.93Å
484Q81.3Confident88.2Confident200 Ų20075.8 Ų75.894%0.93544%0.435SS*.  trans-73.4133.3170.9-69.8-179.5-8.500109.9
485M86.3Confident88.3Confident42 Ų4273.6 Ų73.621%0.20743%0.426CS..  trans-145.1162.2178.8-63.5-178.655.900109.1T322 L344 Y422 P423T322-M485 HydrophobicContact CG2-CE 3.79Å; T322-M485 WeakPolarHBondContact OG1-CE 3.24Å; L344-M485 HydrophobicContact CB-CE 4.39Å; L344-M485 HydrophobicContact CB-SD 4.29Å; L344-M485 HydrophobicContact CD1-SD 3.63Å; Y422-M485 HydrophobicContact CD2-CE 3.64Å; Y422-M485 HydrophobicContact CD2-SD 4.08Å; Y422-M485 HydrophobicContact CE2-CE 4.16Å; Y422-M485 HydrophobicContact CG-CE 4.42Å; Y422-M485 HydrophobicContact CG-SD 4.29Å; P423-M485 HydrophobicContact CB-CB 4.21Å; P423-M485 HydrophobicContact CG-CB 3.95Å; P423-M485 WeakPolarHBondContact CG-O 3.34Å
486E85.1Confident88.4Confident180 Ų18070.6 Ų70.684%0.84141%0.413SS*.  trans-99.4144174.1-65179.6173.600110.6P423 S424P423-E486 VanDerWaalsContact CB-C 3.44Å; S424-E486 PolarHBondContact OG-O 3.2Å
487G88.1Confident88.5Confident39 Ų3972.5 Ų72.540%0.40243%0.425SS..SBendtrans146.5173.2178.400000112.5P423P423-G487 CarbonylContact O-C 3.26Å; P423-G487 VanDerWaalsContact O-C 3.26Å; P423-G487 WeakPolarHBondContact O-CA 3.43Å
488D89.6Confident88.8Confident144 Ų14471.8 Ų71.877%0.7743%0.432SS*.SBendtrans-99.1-15-167.8-61.8-33.7000113.8P423 C490P423-D488 PolarHBondContact O-N 3.1Å; P423-D488 VanDerWaalsContact O-N 3.1Å; D488-C490 PolarHBondContact O-N 3.34Å; D488-C490 VanDerWaalsContact O-N 3.16Å; D488-C490 PolarHBondContact O-SG 2.96Å
489T91.1Very high89.2Confident5 Ų570.5 Ų70.53%0.03143%0.43CS..  trans-68.6115.5-179-56.40000110.7F421 P423 L425 E426 E491 P493F421-T489 HydrophobicContact CB-CG2 4.09Å; F421-T489 HydrophobicContact CD2-CG2 4.36Å; F421-T489 VanDerWaalsContact CD2-O 3.31Å; F421-T489 WeakPolarHBondContact CD2-O 3.35Å; P423-T489 WeakPolarHBondContact O-CB 3.36Å; P423-T489 PolarHBondContact O-N 3.19Å; P423-T489 PolarHBondContact O-OG1 3.22Å; L425-T489 HydrophobicContact CB-CG2 4.33Å; E426-T489 WeakPolarHBondContact CB-OG1 3.33Å; E426-T489 HydrophobicContact CG-CG2 4.02Å; E426-T489 VanDerWaalsContact CG-OG1 3.3Å; E426-T489 WeakPolarHBondContact CG-OG1 3.48Å; E426-T489 PolarHBondContact N-OG1 3.44Å; E426-T489 WeakPolarHBondContact OE2-CB 3.35Å; E426-T489 PolarHBondContact OE2-OG1 2.81Å; T489-E491 VanDerWaalsContact CG2-O 3.31Å; T489-E491 WeakPolarHBondContact CG2-O 3.29Å; T489-P493 HydrophobicContact CG2-CG 4.27Å
490C88.9Confident89.6Confident102 Ų10270 Ų7069%0.68943%0.426SS*.  trans-112.8-3.8-178-64.30000114F421 D488F421-C490 WeakPolarHBondContact CE1-O 3.28Å; F421-C490 VanDerWaalsContact CE2-C 3.44Å; F421-C490 WeakPolarHBondContact CE2-O 3.36Å; F421-C490 WeakPolarHBondContact CZ-O 3.27Å; D488-C490 PolarHBondContact O-N 3.34Å; D488-C490 VanDerWaalsContact O-N 3.16Å; D488-C490 PolarHBondContact O-SG 2.96Å
491E91.3Very high90Very high147 Ų14769.6 Ų69.669%0.68741%0.41SS*.SBendtrans-144.8169.8-17864.1-179.2168.400112F421 T489 P493F421-E491 WeakPolarHBondContact CB-O 3.47Å; T489-E491 VanDerWaalsContact CG2-O 3.31Å; T489-E491 WeakPolarHBondContact CG2-O 3.29Å; E491-P493 VanDerWaalsContact O-CD 3.24Å; E491-P493 WeakPolarHBondContact O-CD 3.28Å
492V92.9Very high90.4Very high24 Ų2470.9 Ų70.915%0.14542%0.423CS..  trans-67.2118.1177.9-1780000108.8F418 G494 G495F418-V492 HydrophobicContact CD1-CG1 4.08Å; F418-V492 HydrophobicContact CE1-CG1 4.46Å; V492-G494 PolarHBondContact O-N 3.28Å; V492-G495 WeakPolarHBondContact O-CA 3.39Å; V492-G495 PolarHBondContact O-N 3.49Å
493P92.6Very high91Very high5 Ų568.6 Ų68.63%0.03241%0.409CS..THydrogen-bonded Turntrans-58129.2-179.9-26.636.6000111.6L425 E426 M429 V436 T489 E491 G495L425-P493 HydrophobicContact CD2-CG 3.6Å; L425-P493 HydrophobicContact CG-CG 3.98Å; E426-P493 HydrophobicContact CG-CB 4.26Å; E426-P493 HydrophobicContact CG-CG 3.86Å; M429-P493 HydrophobicContact SD-CB 4Å; M429-P493 HydrophobicContact SD-CG 4.08Å; V436-P493 HydrophobicContact CG1-CB 3.73Å; T489-P493 HydrophobicContact CG2-CG 4.27Å; E491-P493 VanDerWaalsContact O-CD 3.24Å; E491-P493 WeakPolarHBondContact O-CD 3.28Å; P493-G495 PolarHBondContact O-N 2.87Å
494G89.4Confident91.5Very high65 Ų6567.1 Ų67.167%0.6740%0.404SS*.THydrogen-bonded Turntrans77.3-2.2-176.500000114.8V492V492-G494 PolarHBondContact O-N 3.28Å
495G93Very high92.1Very high38 Ų3864.1 Ų64.139%0.39238%0.384SS..  trans66.9-168.2-178.500000113.7V492 P493V492-G495 WeakPolarHBondContact O-CA 3.39Å; V492-G495 PolarHBondContact O-N 3.49Å; P493-G495 PolarHBondContact O-N 2.87Å
496L94.1Very high92.5Very high27 Ų2767.7 Ų67.714%0.14140%0.4CS..  trans-105.4149.8177.1-66172.8000110.2F418 H419 F476 Q501 L504F418-L496 WeakPolarHBondContact O-CD2 3.25Å; H419-L496 HydrophobicContact CB-CD2 3.92Å; F476-L496 HydrophobicContact CE1-CD1 3.75Å; F476-L496 HydrophobicContact CE1-CD2 4.24Å; F476-L496 HydrophobicContact CZ-CD1 4.09Å; F476-L496 HydrophobicContact CZ-CD2 3.75Å; L496-Q501 HydrophobicContact CB-CB 4.25Å; L496-L504 HydrophobicContact CD1-CD1 3.39Å; L496-L504 HydrophobicContact CD1-CG 4.47Å
497P95.1Very high92.8Very high40 Ų4060.6 Ų60.626%0.2637%0.367SS..  trans-58147.1174.3-17.827.4000111.2P417 W441 A499 Y500 Q501P417-P497 HydrophobicContact CB-CG 3.92Å; P417-P497 HydrophobicContact CG-CG 4.27Å; W441-P497 HydrophobicContact CZ2-CG 4.26Å; P497-A499 VanDerWaalsContact C-N 3.27Å; P497-A499 PolarHBondContact O-N 3.14Å; P497-Y500 HydrophobicContact CB-CD2 3.96Å; P497-Y500 HydrophobicContact CG-CD2 4.03Å; P497-Y500 HydrophobicContact CG-CE2 4.49Å; P497-Y500 PolarHBondContact O-N 2.7Å; P497-Q501 PolarHBondContact O-N 3.34Å
498P95Very high93Very high109 Ų10964.8 Ų64.871%0.70838%0.376SS*.Hα-helixtrans-53.7-38.3-167.7-29.935.2000114.8Q501 A502P498-Q501 PolarHBondContact O-N 2.85Å; P498-A502 VanDerWaalsContact O-CB 3.31Å; P498-A502 WeakPolarHBondContact O-CB 3.12Å; P498-A502 PolarHBondContact O-N 3.4Å
499A95.4Very high93.1Very high58 Ų5864.7 Ų64.748%0.47937%0.368SS..Hα-helixtrans-64.3-42.7178.500000112.7P473 P497 A503P473-A499 HydrophobicContact CG-CB 4.1Å; P497-A499 VanDerWaalsContact C-N 3.27Å; P497-A499 PolarHBondContact O-N 3.14Å; A499-A503 PolarHBondContact O-N 2.91Å; A499-A503 VanDerWaalsContact O-N 3.1Å
500Y95.8Very high93.2Very high16 Ų1671.1 Ų71.16%0.06339%0.392CS..Hα-helixtrans-71-39.6177.5-66.5-94.5000111P417 W441 L471 P473 F476 P497 A503 L504P417-Y500 HydrophobicContact CG-CD1 3.87Å; P417-Y500 HydrophobicContact CG-CD2 3.97Å; P417-Y500 HydrophobicContact CG-CE1 3.93Å; P417-Y500 HydrophobicContact CG-CE2 4.04Å; P417-Y500 HydrophobicContact CG-CG 3.88Å; W441-Y500 HydrophobicContact CH2-CE2 4.06Å; W441-Y500 WeakPolarHBondContact CH2-OH 3.49Å; W441-Y500 HydrophobicContact CZ2-CE2 4.15Å; L471-Y500 VanDerWaalsContact O-CE1 3.29Å; L471-Y500 WeakPolarHBondContact O-CE1 3Å; L471-Y500 PolarHBondContact O-OH 3.43Å; P473-Y500 HydrophobicContact CB-CD1 4.28Å; P473-Y500 HydrophobicContact CB-CG 4.49Å; P473-Y500 HydrophobicContact CG-CD1 4.34Å; P473-Y500 HydrophobicContact CG-CD2 4.46Å; P473-Y500 HydrophobicContact CG-CE1 4.27Å; P473-Y500 HydrophobicContact CG-CE2 4.4Å; P473-Y500 HydrophobicContact CG-CG 4.45Å; F476-Y500 HydrophobicContact CB-CD1 3.75Å; F476-Y500 HydrophobicContact CB-CE1 4.2Å; F476-Y500 HydrophobicContact CD1-CD1 4.02Å; F476-Y500 AromaticContact CD2-CD1 3.78Å; F476-Y500 HydrophobicContact CD2-CD1 3.78Å; F476-Y500 HydrophobicContact CD2-CE1 4.16Å; F476-Y500 HydrophobicContact CE2-CD1 4.31Å; F476-Y500 AromaticContact CG-CD1 3.59Å; F476-Y500 HydrophobicContact CG-CD1 3.59Å; F476-Y500 HydrophobicContact CG-CE1 4.27Å; P497-Y500 HydrophobicContact CB-CD2 3.96Å; P497-Y500 HydrophobicContact CG-CD2 4.03Å; P497-Y500 HydrophobicContact CG-CE2 4.49Å; P497-Y500 PolarHBondContact O-N 2.7Å; Y500-A503 PolarHBondContact O-N 3.23Å; Y500-L504 PolarHBondContact O-N 2.85Å
501Q94.8Very high93.2Very high75 Ų7570.9 Ų70.935%0.3538%0.383SS..Hα-helixtrans-63.5-42.7176.2-161.7-179.238.300111.6L496 P497 P498 L504 R505L496-Q501 HydrophobicContact CB-CB 4.25Å; P497-Q501 PolarHBondContact O-N 3.34Å; P498-Q501 PolarHBondContact O-N 2.85Å; Q501-L504 PolarHBondContact O-N 3.47Å; Q501-R505 WeakPolarHBondContact O-CG 3.24Å; Q501-R505 PolarHBondContact O-N 3.4Å
502A95.3Very high93.2Very high51 Ų5169.5 Ų69.542%0.42138%0.376SS..Hα-helixtrans-61.5-44.6175.300000111.9P498 L504 R505 E506P498-A502 VanDerWaalsContact O-CB 3.31Å; P498-A502 WeakPolarHBondContact O-CB 3.12Å; P498-A502 PolarHBondContact O-N 3.4Å; A502-L504 VanDerWaalsContact C-N 3.34Å; A502-L504 PolarHBondContact O-N 3.39Å; A502-R505 PolarHBondContact O-N 3.31Å; A502-E506 PolarHBondContact O-N 3.2Å
503A94.8Very high93.2Very high12 Ų1272.1 Ų72.110%0.09939%0.389CS..Hα-helixtrans-62.2-38.8177.700000112.6P473 A499 Y500 E506 K507P473-A503 HydrophobicContact CB-CB 3.78Å; P473-A503 VanDerWaalsContact O-CB 3.24Å; P473-A503 WeakPolarHBondContact O-CB 3.23Å; A499-A503 PolarHBondContact O-N 2.91Å; A499-A503 VanDerWaalsContact O-N 3.1Å; Y500-A503 PolarHBondContact O-N 3.23Å; A503-E506 PolarHBondContact O-N 3.09Å; A503-K507 WeakPolarHBondContact O-CG 3.3Å; A503-K507 PolarHBondContact O-N 2.95Å
504L92.4Very high92.9Very high30 Ų3078.1 Ų78.116%0.15741%0.412CS..Hα-helixtrans-65.5-44.3173.2-73.2-172.5000112.4F476 T478 L496 Y500 Q501 A502 E506 K507 Q508F476-L504 HydrophobicContact CD1-CD1 4.36Å; F476-L504 HydrophobicContact CD1-CD2 3.9Å; F476-L504 HydrophobicContact CD1-CG 4.01Å; F476-L504 HydrophobicContact CE1-CD1 3.88Å; F476-L504 HydrophobicContact CE1-CD2 4.18Å; F476-L504 HydrophobicContact CE1-CG 4.04Å; T478-L504 HydrophobicContact CG2-CD1 3.59Å; T478-L504 HydrophobicContact CG2-CD2 4.36Å; L496-L504 HydrophobicContact CD1-CD1 3.39Å; L496-L504 HydrophobicContact CD1-CG 4.47Å; Y500-L504 PolarHBondContact O-N 2.85Å; Q501-L504 PolarHBondContact O-N 3.47Å; A502-L504 VanDerWaalsContact C-N 3.34Å; A502-L504 PolarHBondContact O-N 3.39Å; L504-E506 VanDerWaalsContact C-N 3.26Å; L504-E506 PolarHBondContact O-N 3.11Å; L504-K507 WeakPolarHBondContact O-CB 3.31Å; L504-K507 PolarHBondContact O-N 3.04Å; L504-K507 VanDerWaalsContact O-N 3.15Å; L504-Q508 WeakPolarHBondContact O-CG 3.47Å; L504-Q508 PolarHBondContact O-N 2.71Å
505R93.5Very high92.8Very high138 Ų13879.7 Ų79.752%0.52140%0.401SS..Hα-helixtrans-60.2-38.9176.6-72.2-179.5-168.6138.12.3111.5Q501 A502 Q508 K509Q501-R505 WeakPolarHBondContact O-CG 3.24Å; Q501-R505 PolarHBondContact O-N 3.4Å; A502-R505 PolarHBondContact O-N 3.31Å; R505-Q508 PolarHBondContact O-N 2.79Å; R505-K509 WeakPolarHBondContact O-CB 3.31Å; R505-K509 PolarHBondContact O-N 3.37Å
506E93.8Very high92.6Very high117 Ų11783 Ų8355%0.54741%0.405SS..Hα-helixtrans-65.1-41.3175.4-171.8-177.6178.100112A502 A503 L504 K509 R510A502-E506 PolarHBondContact O-N 3.2Å; A503-E506 PolarHBondContact O-N 3.09Å; L504-E506 VanDerWaalsContact C-N 3.26Å; L504-E506 PolarHBondContact O-N 3.11Å; E506-K509 PolarHBondContact O-N 3.32Å; E506-R510 WeakPolarHBondContact O-CG 3.33Å; E506-R510 PolarHBondContact O-N 2.79Å
507K91.9Very high92.4Very high31 Ų3185.9 Ų85.914%0.13542%0.424CS..Hα-helixtrans-60.5-46.3172.2-72.1176-176.7-171.10111.6S474 F476 H477 A503 L504 K509 R510 I511S474-K507 VanDerWaalsContact O-CE 3.23Å; S474-K507 WeakPolarHBondContact O-CE 3.4Å; S474-K507 PolarHBondContact O-NZ 3.1Å; F476-K507 PolarHBondContact O-NZ 2.95Å; H477-K507 PolarHBondContact CD2-NZ 3.29Å; H477-K507 PolarHBondContact CE1-NZ 2.96Å; H477-K507 VanDerWaalsContact CE1-NZ 3.29Å; H477-K507 PolarHBondContact NE2-NZ 3.49Å; A503-K507 WeakPolarHBondContact O-CG 3.3Å; A503-K507 PolarHBondContact O-N 2.95Å; L504-K507 WeakPolarHBondContact O-CB 3.31Å; L504-K507 PolarHBondContact O-N 3.04Å; L504-K507 VanDerWaalsContact O-N 3.15Å; K507-K509 PolarHBondContact O-N 3.24Å; K507-R510 VanDerWaalsContact CG-NH2 3.29Å; K507-R510 WeakPolarHBondContact O-CB 3.45Å; K507-R510 PolarHBondContact O-N 2.74Å; K507-I511 WeakPolarHBondContact O-CG1 3.5Å; K507-I511 PolarHBondContact O-N 3.34Å
508Q91.3Very high91.9Very high127 Ų12786 Ų8659%0.59342%0.424SS*.Hα-helixtrans-61-42.6176.2-72174.3-28.200112L504 R505 R510 I511 H512L504-Q508 WeakPolarHBondContact O-CG 3.47Å; L504-Q508 PolarHBondContact O-N 2.71Å; R505-Q508 PolarHBondContact O-N 2.79Å; Q508-R510 VanDerWaalsContact C-N 3.33Å; Q508-R510 PolarHBondContact O-N 3.24Å; Q508-I511 PolarHBondContact O-N 2.93Å; Q508-H512 PolarHBondContact O-N 3.42Å
509K93.4Very high91.4Very high141 Ų14188 Ų8861%0.61343%0.426SS*.Hα-helixtrans-61.9-40.2175.5-171.8178.7-178.9-178.90111.8R505 E506 K507 H512 N513R505-K509 WeakPolarHBondContact O-CB 3.31Å; R505-K509 PolarHBondContact O-N 3.37Å; E506-K509 PolarHBondContact O-N 3.32Å; K507-K509 PolarHBondContact O-N 3.24Å; K509-H512 PolarHBondContact O-N 2.94Å; K509-N513 WeakPolarHBondContact O-CB 3.43Å; K509-N513 PolarHBondContact O-N 3.06Å; K509-N513 PolarHBondContact O-OD1 3.08Å
510R91.9Very high91.1Very high140 Ų14091 Ų9153%0.52843%0.429SS..Hα-helixtrans-61.8-43.5174-76.7-176-74.9-172.7-7111.9E506 K507 Q508 N513 W514E506-R510 WeakPolarHBondContact O-CG 3.33Å; E506-R510 PolarHBondContact O-N 2.79Å; K507-R510 VanDerWaalsContact CG-NH2 3.29Å; K507-R510 WeakPolarHBondContact O-CB 3.45Å; K507-R510 PolarHBondContact O-N 2.74Å; Q508-R510 VanDerWaalsContact C-N 3.33Å; Q508-R510 PolarHBondContact O-N 3.24Å; R510-N513 PolarHBondContact O-N 2.94Å; R510-W514 WeakPolarHBondContact O-CB 3.41Å; R510-W514 PolarHBondContact O-N 3.33Å
511I89.3Confident90.6Very high98 Ų9892.9 Ų92.950%0.50345%0.449SS..Hα-helixtrans-62-47175.8-65.8166.3000110.5K507 Q508 W514 Q515K507-I511 WeakPolarHBondContact O-CG1 3.5Å; K507-I511 PolarHBondContact O-N 3.34Å; Q508-I511 PolarHBondContact O-N 2.93Å; I511-W514 PolarHBondContact O-N 3.36Å; I511-Q515 WeakPolarHBondContact O-CG 3.24Å; I511-Q515 PolarHBondContact O-N 2.94Å
512H91.1Very high90Very high117 Ų117100.1 Ų100.154%0.54247%0.473SS..Hα-helixtrans-63.4-43.6179-17570.4000112.4Q508 K509 W514 Q515 K516Q508-H512 PolarHBondContact O-N 3.42Å; K509-H512 PolarHBondContact O-N 2.94Å; H512-W514 VanDerWaalsContact C-N 3.33Å; H512-W514 PolarHBondContact O-N 2.84Å; H512-Q515 PolarHBondContact O-N 3.47Å; H512-K516 WeakPolarHBondContact O-CB 3.33Å; H512-K516 PolarHBondContact O-N 3.48Å
513N93.1Very high89.4Confident79 Ų7999.8 Ų99.842%0.42246%0.464SS..Hα-helixtrans-60.6-43.6175-73.8-7.9000111.2K509 R510 K516 T517K509-N513 WeakPolarHBondContact O-CB 3.43Å; K509-N513 PolarHBondContact O-N 3.06Å; K509-N513 PolarHBondContact O-OD1 3.08Å; R510-N513 PolarHBondContact O-N 2.94Å; N513-K516 WeakPolarHBondContact O-CB 3.34Å; N513-K516 PolarHBondContact O-N 3.2Å; N513-T517 PolarHBondContact O-N 3.23Å; N513-T517 PolarHBondContact O-OG1 3.18Å
514W87.4Confident89Confident132 Ų132102.8 Ų102.850%0.548%0.478SS..Hα-helixtrans-62.1-45.3176.2176.885.2000111.9R510 I511 H512 K516 T517 V518 F531R510-W514 WeakPolarHBondContact O-CB 3.41Å; R510-W514 PolarHBondContact O-N 3.33Å; I511-W514 PolarHBondContact O-N 3.36Å; H512-W514 VanDerWaalsContact C-N 3.33Å; H512-W514 PolarHBondContact O-N 2.84Å; W514-K516 VanDerWaalsContact C-N 3.3Å; W514-K516 PolarHBondContact O-N 3.14Å; W514-T517 WeakPolarHBondContact O-CB 3.23Å; W514-T517 PolarHBondContact O-N 3.19Å; W514-V518 HydrophobicContact CD2-CG2 4.17Å; W514-V518 HydrophobicContact CE3-CG2 4.5Å; W514-V518 HydrophobicContact CH2-CG2 4.39Å; W514-V518 HydrophobicContact CZ2-CG2 4.06Å; W514-V518 WeakPolarHBondContact O-CG2 3.33Å; W514-V518 PolarHBondContact O-N 3.17Å; W514-F531 HydrophobicContact CH2-CE1 4.31Å; W514-F531 HydrophobicContact CH2-CZ 4.32Å; W514-F531 HydrophobicContact CZ2-CE1 4.04Å; W514-F531 AromaticContact CZ2-CZ 3.61Å; W514-F531 HydrophobicContact CZ2-CZ 3.61Å
515Q86.3Confident88.7Confident97 Ų97110 Ų11045%0.45351%0.508SS..Hα-helixtrans-58.4-42.5174.7-73.5174.8-16.600111.7I511 H512 V518 M519I511-Q515 WeakPolarHBondContact O-CG 3.24Å; I511-Q515 PolarHBondContact O-N 2.94Å; H512-Q515 PolarHBondContact O-N 3.47Å; Q515-V518 PolarHBondContact O-N 2.87Å; Q515-M519 WeakPolarHBondContact O-CG 3.48Å; Q515-M519 PolarHBondContact O-N 3.41Å
516K89.6Confident88.3Confident107 Ų107110.1 Ų110.147%0.46552%0.515SS..Hα-helixtrans-62.2-45.5175.1-177.9175.7172.1177.90111.6H512 N513 W514 V518 M519 E520H512-K516 WeakPolarHBondContact O-CB 3.33Å; H512-K516 PolarHBondContact O-N 3.48Å; N513-K516 WeakPolarHBondContact O-CB 3.34Å; N513-K516 PolarHBondContact O-N 3.2Å; W514-K516 VanDerWaalsContact C-N 3.3Å; W514-K516 PolarHBondContact O-N 3.14Å; K516-V518 VanDerWaalsContact C-N 3.32Å; K516-V518 PolarHBondContact O-N 3.09Å; K516-M519 PolarHBondContact O-N 3.22Å; K516-E520 WeakPolarHBondContact CE-OE1 3.38Å; K516-E520 HydrophobicContact CG-CG 4.32Å; K516-E520 IonicContact NZ-OE1 3.82Å; K516-E520 WeakPolarHBondContact O-CB 3.29Å; K516-E520 WeakPolarHBondContact O-CG 3.37Å; K516-E520 PolarHBondContact O-N 3.35Å
517T89.1Confident87.9Confident88 Ų88108.8 Ų108.854%0.5451%0.509SS..Hα-helixtrans-59.4-41.4175.4-55.80000111.9N513 W514 E520 A521N513-T517 PolarHBondContact O-N 3.23Å; N513-T517 PolarHBondContact O-OG1 3.18Å; W514-T517 WeakPolarHBondContact O-CB 3.23Å; W514-T517 PolarHBondContact O-N 3.19Å; T517-E520 PolarHBondContact O-N 2.95Å; T517-A521 WeakPolarHBondContact O-CB 3.4Å; T517-A521 PolarHBondContact O-N 3.41Å
518V85.3Confident87.6Confident43 Ų43113.3 Ų113.326%0.26153%0.528SS..Hα-helixtrans-64.8-40.2176173.60000111.5W514 Q515 K516 F531W514-V518 HydrophobicContact CD2-CG2 4.17Å; W514-V518 HydrophobicContact CE3-CG2 4.5Å; W514-V518 HydrophobicContact CH2-CG2 4.39Å; W514-V518 HydrophobicContact CZ2-CG2 4.06Å; W514-V518 WeakPolarHBondContact O-CG2 3.33Å; W514-V518 PolarHBondContact O-N 3.17Å; Q515-V518 PolarHBondContact O-N 2.87Å; K516-V518 VanDerWaalsContact C-N 3.32Å; K516-V518 PolarHBondContact O-N 3.09Å; V518-F531 HydrophobicContact CG1-CE1 4.17Å; V518-F531 HydrophobicContact CG2-CE1 4.08Å; V518-F531 HydrophobicContact CG2-CZ 3.9Å
519M83.6Confident87.3Confident152 Ų152112.6 Ų112.675%0.74953%0.525SS*.Hα-helixtrans-66-43.3174.9-74.2-179.660.300112.3Q515 K516 A521 R522Q515-M519 WeakPolarHBondContact O-CG 3.48Å; Q515-M519 PolarHBondContact O-N 3.41Å; K516-M519 PolarHBondContact O-N 3.22Å; M519-A521 VanDerWaalsContact C-N 3.3Å; M519-A521 PolarHBondContact O-N 3.23Å; M519-R522 PolarHBondContact O-N 2.93Å
520E90.4Very high87Confident119 Ų119111.6 Ų111.656%0.55652%0.522SS*.Hα-helixtrans-69.1-26.6-179.6-73.7175.5168.600112.9K516 T517 R522K516-E520 WeakPolarHBondContact CE-OE1 3.38Å; K516-E520 HydrophobicContact CG-CG 4.32Å; K516-E520 IonicContact NZ-OE1 3.82Å; K516-E520 WeakPolarHBondContact O-CB 3.29Å; K516-E520 WeakPolarHBondContact O-CG 3.37Å; K516-E520 PolarHBondContact O-N 3.35Å; T517-E520 PolarHBondContact O-N 2.95Å; E520-R522 PolarHBondContact O-N 3.31Å; E520-R522 VanDerWaalsContact O-N 3.1Å
521A84.6Confident86.8Confident57 Ų57108.2 Ų108.247%0.47151%0.512SS..THydrogen-bonded Turntrans-64.7-10176.100000114.1T517 M519 L523T517-A521 WeakPolarHBondContact O-CB 3.4Å; T517-A521 PolarHBondContact O-N 3.41Å; M519-A521 VanDerWaalsContact C-N 3.3Å; M519-A521 PolarHBondContact O-N 3.23Å; A521-L523 HydrophobicContact CB-CD2 4.23Å; A521-L523 HydrophobicContact CB-CG 4.09Å; A521-L523 PolarHBondContact O-N 3.33Å
522R81.9Confident86.6Confident227 Ų227108.9 Ų108.986%0.85751%0.513SS*.THydrogen-bonded Turntrans44.542.3176.1-66.1-175-179.7-167.80.8113.8M519 E520 N524M519-R522 PolarHBondContact O-N 2.93Å; E520-R522 PolarHBondContact O-N 3.31Å; E520-R522 VanDerWaalsContact O-N 3.1Å; R522-N524 PolarHBondContact O-N 2.9Å
523L83.3Confident86.5Confident43 Ų43108.4 Ų108.423%0.22551%0.511CS..  trans-56.6135.7-177.5-61.4171.7000111.2A521 Q527 K528 F531A521-L523 HydrophobicContact CB-CD2 4.23Å; A521-L523 HydrophobicContact CB-CG 4.09Å; A521-L523 PolarHBondContact O-N 3.33Å; L523-Q527 HydrophobicContact CB-CB 4.14Å; L523-Q527 HydrophobicContact CD2-CB 4.12Å; L523-K528 HydrophobicContact CB-CG 3.63Å; L523-K528 HydrophobicContact CD1-CG 4.43Å; L523-K528 VanDerWaalsContact O-CE 3.22Å; L523-K528 WeakPolarHBondContact O-CE 3.47Å; L523-F531 HydrophobicContact CD1-CB 4.49Å; L523-F531 HydrophobicContact CD1-CG 4.47Å
524N86.6Confident86.4Confident76 Ų76109.8 Ų109.841%0.40652%0.518SS..  trans-70.7172.7172.572.917.9000110.6R522 E526 Q527 K528R522-N524 PolarHBondContact O-N 2.9Å; N524-E526 VanDerWaalsContact C-N 3.31Å; N524-E526 PolarHBondContact O-N 3.3Å; N524-E526 PolarHBondContact OD1-N 2.69Å; N524-Q527 VanDerWaalsContact N-OE1 3.12Å; N524-Q527 PolarHBondContact O-N 3.16Å; N524-Q527 WeakPolarHBondContact OD1-CB 3.41Å; N524-Q527 WeakPolarHBondContact OD1-CG 3.34Å; N524-Q527 PolarHBondContact OD1-N 3.26Å; N524-Q527 PolarHBondContact OD1-OE1 3.1Å; N524-K528 WeakPolarHBondContact O-CB 3.47Å; N524-K528 WeakPolarHBondContact O-CG 3.46Å; N524-K528 PolarHBondContact O-N 3.06Å
525K84.8Confident86.5Confident180 Ų180106.4 Ų106.478%0.78351%0.511SS*.Hα-helixtrans-60.5-39.3-174.4-168179.6177.5-174.30112.8Q529K525-Q529 PolarHBondContact O-N 3.25Å; K525-Q529 VanDerWaalsContact O-N 3.17Å
526E86.4Confident86.5Confident142 Ų142106 Ų10666%0.66451%0.509SS*.Hα-helixtrans-70.6-43.9-179.7-67166-173.700111.9N524 K528 Q529 Q530N524-E526 VanDerWaalsContact C-N 3.31Å; N524-E526 PolarHBondContact O-N 3.3Å; N524-E526 PolarHBondContact OD1-N 2.69Å; E526-K528 VanDerWaalsContact C-N 3.34Å; E526-K528 PolarHBondContact O-N 2.8Å; E526-Q529 WeakPolarHBondContact O-CB 3.37Å; E526-Q529 PolarHBondContact O-N 3.47Å; E526-Q530 WeakPolarHBondContact O-CG 3.45Å; E526-Q530 PolarHBondContact O-N 3.36Å
527Q84.9Confident86.6Confident89 Ų89105.2 Ų105.242%0.41651%0.51SS..Hα-helixtrans-65.6-36.3176.1-71.8169.1-2800111.9L523 N524 Q529 F531L523-Q527 HydrophobicContact CB-CB 4.14Å; L523-Q527 HydrophobicContact CD2-CB 4.12Å; N524-Q527 VanDerWaalsContact N-OE1 3.12Å; N524-Q527 PolarHBondContact O-N 3.16Å; N524-Q527 WeakPolarHBondContact OD1-CB 3.41Å; N524-Q527 WeakPolarHBondContact OD1-CG 3.34Å; N524-Q527 PolarHBondContact OD1-N 3.26Å; N524-Q527 PolarHBondContact OD1-OE1 3.1Å; Q527-Q529 VanDerWaalsContact C-N 3.32Å; Q527-F531 WeakPolarHBondContact O-CB 3.16Å; Q527-F531 PolarHBondContact O-N 3.46Å
528K84.8Confident86.6Confident126 Ų126107 Ų10755%0.54851%0.51SS..Hα-helixtrans-62.4-41.7172.7-77.3180176.3175.30111.5L523 N524 E526 F531 Q532L523-K528 HydrophobicContact CB-CG 3.63Å; L523-K528 HydrophobicContact CD1-CG 4.43Å; L523-K528 VanDerWaalsContact O-CE 3.22Å; L523-K528 WeakPolarHBondContact O-CE 3.47Å; N524-K528 WeakPolarHBondContact O-CB 3.47Å; N524-K528 WeakPolarHBondContact O-CG 3.46Å; N524-K528 PolarHBondContact O-N 3.06Å; E526-K528 VanDerWaalsContact C-N 3.34Å; E526-K528 PolarHBondContact O-N 2.8Å; K528-F531 PolarHBondContact O-N 3.02Å; K528-Q532 WeakPolarHBondContact O-CB 3.46Å; K528-Q532 PolarHBondContact O-N 3.06Å
529Q85.6Confident86.7Confident112 Ų112109.9 Ų109.952%0.52352%0.519SS..Hα-helixtrans-66.3-47.8178.1-172.1171.4-5.300111.4K525 E526 Q527 F531 Q532 E533K525-Q529 PolarHBondContact O-N 3.25Å; K525-Q529 VanDerWaalsContact O-N 3.17Å; E526-Q529 WeakPolarHBondContact O-CB 3.37Å; E526-Q529 PolarHBondContact O-N 3.47Å; Q527-Q529 VanDerWaalsContact C-N 3.32Å; Q529-F531 VanDerWaalsContact C-N 3.32Å; Q529-F531 PolarHBondContact O-N 3.15Å; Q529-Q532 PolarHBondContact O-N 2.87Å; Q529-E533 WeakPolarHBondContact O-CG 3.17Å; Q529-E533 PolarHBondContact O-N 3.39Å
530Q87.8Confident86.8Confident119 Ų119107.4 Ų107.456%0.55651%0.506SS*.Hα-helixtrans-59.9-41.2174.8-71.7177.8-15.400112.5E526 E533 L534E526-Q530 WeakPolarHBondContact O-CG 3.45Å; E526-Q530 PolarHBondContact O-N 3.36Å; Q530-E533 PolarHBondContact O-N 2.88Å; Q530-L534 WeakPolarHBondContact O-CG 3.48Å; Q530-L534 PolarHBondContact O-N 3.21Å
531F86.1Confident86.7Confident70 Ų70105.4 Ų105.431%0.30750%0.496SS..Hα-helixtrans-64.8-43.4176.9-179-105.4000111.8W514 V518 L523 Q527 K528 Q529 L534 V535W514-F531 HydrophobicContact CH2-CE1 4.31Å; W514-F531 HydrophobicContact CH2-CZ 4.32Å; W514-F531 HydrophobicContact CZ2-CE1 4.04Å; W514-F531 AromaticContact CZ2-CZ 3.61Å; W514-F531 HydrophobicContact CZ2-CZ 3.61Å; V518-F531 HydrophobicContact CG1-CE1 4.17Å; V518-F531 HydrophobicContact CG2-CE1 4.08Å; V518-F531 HydrophobicContact CG2-CZ 3.9Å; L523-F531 HydrophobicContact CD1-CB 4.49Å; L523-F531 HydrophobicContact CD1-CG 4.47Å; Q527-F531 WeakPolarHBondContact O-CB 3.16Å; Q527-F531 PolarHBondContact O-N 3.46Å; K528-F531 PolarHBondContact O-N 3.02Å; Q529-F531 VanDerWaalsContact C-N 3.32Å; Q529-F531 PolarHBondContact O-N 3.15Å; F531-L534 PolarHBondContact O-N 3.23Å; F531-V535 HydrophobicContact CD1-CG2 4.23Å; F531-V535 HydrophobicContact CE1-CG2 3.89Å; F531-V535 HydrophobicContact CE2-CG2 4.23Å; F531-V535 HydrophobicContact CZ-CG2 3.91Å; F531-V535 WeakPolarHBondContact O-CG2 3.38Å; F531-V535 PolarHBondContact O-N 3.37Å
532Q85.8Confident86.8Confident112 Ų112108.3 Ų108.352%0.52350%0.495SS..Hα-helixtrans-60.8-47176-179.1175.9-9.400111.2K528 Q529 L534 V535 E536K528-Q532 WeakPolarHBondContact O-CB 3.46Å; K528-Q532 PolarHBondContact O-N 3.06Å; Q529-Q532 PolarHBondContact O-N 2.87Å; Q532-L534 VanDerWaalsContact C-N 3.3Å; Q532-L534 PolarHBondContact O-N 3.01Å; Q532-V535 PolarHBondContact O-N 3.43Å; Q532-E536 HydrophobicContact CG-CG 4.38Å; Q532-E536 WeakPolarHBondContact CG-OE1 3.46Å; Q532-E536 PolarHBondContact NE2-OE1 3.46Å; Q532-E536 WeakPolarHBondContact O-CB 3.41Å; Q532-E536 WeakPolarHBondContact O-CG 3.39Å; Q532-E536 PolarHBondContact O-N 3.37Å
533E89.7Confident86.9Confident106 Ų10698.1 Ų98.150%0.49546%0.458SS..Hα-helixtrans-58.3-41.1177-73170.7-168.300111.9Q529 Q530 L537Q529-E533 WeakPolarHBondContact O-CG 3.17Å; Q529-E533 PolarHBondContact O-N 3.39Å; Q530-E533 PolarHBondContact O-N 2.88Å; E533-L537 VanDerWaalsContact O-CB 3.3Å; E533-L537 WeakPolarHBondContact O-CB 3.44Å; E533-L537 PolarHBondContact O-N 3.34Å
534L91.1Very high86.7Confident109 Ų109101.1 Ų101.157%0.57147%0.473SS*.Hα-helixtrans-66.8-42.6176.1-75.4170.6000112.8Q530 F531 Q532 L537 K538Q530-L534 WeakPolarHBondContact O-CG 3.48Å; Q530-L534 PolarHBondContact O-N 3.21Å; F531-L534 PolarHBondContact O-N 3.23Å; Q532-L534 VanDerWaalsContact C-N 3.3Å; Q532-L534 PolarHBondContact O-N 3.01Å; L534-L537 PolarHBondContact O-N 2.87Å; L534-K538 WeakPolarHBondContact O-CB 3.43Å; L534-K538 WeakPolarHBondContact O-CG 3.31Å; L534-K538 PolarHBondContact O-N 3.43Å
535V88Confident86.4Confident61 Ų61105.2 Ų105.237%0.3749%0.49SS..Hα-helixtrans-64.2-44.4176.9170.50000110.1F531 Q532 K538 F539F531-V535 HydrophobicContact CD1-CG2 4.23Å; F531-V535 HydrophobicContact CE1-CG2 3.89Å; F531-V535 HydrophobicContact CE2-CG2 4.23Å; F531-V535 HydrophobicContact CZ-CG2 3.91Å; F531-V535 WeakPolarHBondContact O-CG2 3.38Å; F531-V535 PolarHBondContact O-N 3.37Å; Q532-V535 PolarHBondContact O-N 3.43Å; V535-K538 PolarHBondContact O-N 2.99Å; V535-F539 VanDerWaalsContact O-CB 3.23Å; V535-F539 WeakPolarHBondContact O-CB 3.42Å; V535-F539 PolarHBondContact O-N 2.79Å
536E88Confident85.9Confident87 Ų8799.4 Ų99.441%0.40747%0.47SS..Hα-helixtrans-60.9-46.6175.9-74.6176.6-16900110.9Q532 K538 F539 H540Q532-E536 HydrophobicContact CG-CG 4.38Å; Q532-E536 WeakPolarHBondContact CG-OE1 3.46Å; Q532-E536 PolarHBondContact NE2-OE1 3.46Å; Q532-E536 WeakPolarHBondContact O-CB 3.41Å; Q532-E536 WeakPolarHBondContact O-CG 3.39Å; Q532-E536 PolarHBondContact O-N 3.37Å; E536-K538 PolarHBondContact O-N 2.96Å; E536-F539 PolarHBondContact O-N 3.31Å; E536-H540 PolarHBondContact O-N 3.2Å; E536-H540 PolarHBondContact O-ND1 3.02Å
537L91.4Very high85.1Confident91 Ų9194.3 Ų94.348%0.47646%0.455SS..Hα-helixtrans-60-47.6177.5-173.8147.6000111.6E533 L534 F539 H540 E541E533-L537 VanDerWaalsContact O-CB 3.3Å; E533-L537 WeakPolarHBondContact O-CB 3.44Å; E533-L537 PolarHBondContact O-N 3.34Å; L534-L537 PolarHBondContact O-N 2.87Å; L537-F539 VanDerWaalsContact C-N 3.31Å; L537-F539 PolarHBondContact O-N 2.93Å; L537-H540 PolarHBondContact O-N 3.17Å; L537-E541 HydrophobicContact CD2-CG 4.32Å; L537-E541 WeakPolarHBondContact CD2-OE1 3.5Å; L537-E541 WeakPolarHBondContact O-CG 3.49Å; L537-E541 PolarHBondContact O-N 2.9Å
538K89.4Confident84.6Confident125 Ų12593 Ų9354%0.54345%0.449SS..Hα-helixtrans-64.4-35.4177.2-73.2-73.4160.9-152.30112.5L534 V535 E536 E541 W542L534-K538 WeakPolarHBondContact O-CB 3.43Å; L534-K538 WeakPolarHBondContact O-CG 3.31Å; L534-K538 PolarHBondContact O-N 3.43Å; V535-K538 PolarHBondContact O-N 2.99Å; E536-K538 PolarHBondContact O-N 2.96Å; K538-E541 WeakPolarHBondContact CD-OE2 3.44Å; K538-E541 WeakPolarHBondContact CE-OE2 3.1Å; K538-E541 IonicContact NZ-OE1 2.7Å; K538-E541 IonicContact NZ-OE2 3.74Å; K538-E541 PolarHBondContact NZ-OE2 2.93Å; K538-W542 WeakPolarHBondContact O-CB 3.4Å; K538-W542 PolarHBondContact O-N 3.47Å
539F87.3Confident84.2Confident104 Ų10492.5 Ų92.546%0.45644%0.444SS..Hα-helixtrans-67.1-40.4174.6-178.6-112.7000111.8V535 E536 L537 W542 L543V535-F539 VanDerWaalsContact O-CB 3.23Å; V535-F539 WeakPolarHBondContact O-CB 3.42Å; V535-F539 PolarHBondContact O-N 2.79Å; E536-F539 PolarHBondContact O-N 3.31Å; L537-F539 VanDerWaalsContact C-N 3.31Å; L537-F539 PolarHBondContact O-N 2.93Å; F539-W542 AromaticContact CD2-CE3 3.99Å; F539-W542 HydrophobicContact CD2-CE3 3.99Å; F539-W542 HydrophobicContact CD2-CZ3 4.44Å; F539-W542 AromaticContact CE2-CE3 3.83Å; F539-W542 HydrophobicContact CE2-CE3 3.83Å; F539-W542 AromaticContact CE2-CZ3 3.83Å; F539-W542 HydrophobicContact CE2-CZ3 3.83Å; F539-W542 PolarHBondContact O-N 3.46Å; F539-L543 HydrophobicContact CD1-CD1 3.89Å; F539-L543 HydrophobicContact CD1-CG 4.36Å; F539-L543 HydrophobicContact CE1-CD1 3.44Å; F539-L543 VanDerWaalsContact CE1-CD1 3.44Å; F539-L543 HydrophobicContact CE1-CG 4.01Å; F539-L543 HydrophobicContact CE2-CD2 4.39Å; F539-L543 HydrophobicContact CE2-CG 4.25Å; F539-L543 HydrophobicContact CZ-CD1 3.82Å; F539-L543 HydrophobicContact CZ-CD2 4.04Å; F539-L543 HydrophobicContact CZ-CG 3.94Å; F539-L543 WeakPolarHBondContact O-CB 3.35Å; F539-L543 WeakPolarHBondContact O-CG 3.32Å; F539-L543 PolarHBondContact O-N 2.85Å
540H85.2Confident83.4Confident100 Ų10092.7 Ų92.746%0.46345%0.445SS..Hα-helixtrans-66-42175-76.287.6000112.4E536 L537 W542 L543 L544E536-H540 PolarHBondContact O-N 3.2Å; E536-H540 PolarHBondContact O-ND1 3.02Å; L537-H540 PolarHBondContact O-N 3.17Å; H540-W542 VanDerWaalsContact C-N 3.34Å; H540-L543 PolarHBondContact O-N 3.47Å; H540-L544 WeakPolarHBondContact O-CG 3.18Å; H540-L544 PolarHBondContact O-N 2.95Å; H540-L544 VanDerWaalsContact O-N 3.12Å
541E88.1Confident82.7Confident77 Ų7788.4 Ų88.436%0.3643%0.425SS..Hα-helixtrans-57.5-49.1171.9-73.6177.5171.100110.4L537 K538 L543 L544 E545L537-E541 HydrophobicContact CD2-CG 4.32Å; L537-E541 WeakPolarHBondContact CD2-OE1 3.5Å; L537-E541 WeakPolarHBondContact O-CG 3.49Å; L537-E541 PolarHBondContact O-N 2.9Å; K538-E541 WeakPolarHBondContact CD-OE2 3.44Å; K538-E541 WeakPolarHBondContact CE-OE2 3.1Å; K538-E541 IonicContact NZ-OE1 2.7Å; K538-E541 IonicContact NZ-OE2 3.74Å; K538-E541 PolarHBondContact NZ-OE2 2.93Å; E541-L543 PolarHBondContact O-N 3.17Å; E541-L544 WeakPolarHBondContact O-CB 3.39Å; E541-L544 PolarHBondContact O-N 3.38Å; E541-L544 VanDerWaalsContact O-N 3.17Å; E541-E545 WeakPolarHBondContact O-CG 3.36Å; E541-E545 PolarHBondContact O-N 3.38Å
542W87.1Confident82.1Confident118 Ų11888.9 Ų88.945%0.44743%0.43SS..Hα-helixtrans-60.6-42.9177.6177.581.5000112.9K538 F539 H540 L544 E545 T546 H548K538-W542 WeakPolarHBondContact O-CB 3.4Å; K538-W542 PolarHBondContact O-N 3.47Å; F539-W542 AromaticContact CD2-CE3 3.99Å; F539-W542 HydrophobicContact CD2-CE3 3.99Å; F539-W542 HydrophobicContact CD2-CZ3 4.44Å; F539-W542 AromaticContact CE2-CE3 3.83Å; F539-W542 HydrophobicContact CE2-CE3 3.83Å; F539-W542 AromaticContact CE2-CZ3 3.83Å; F539-W542 HydrophobicContact CE2-CZ3 3.83Å; F539-W542 PolarHBondContact O-N 3.46Å; H540-W542 VanDerWaalsContact C-N 3.34Å; W542-L544 VanDerWaalsContact C-N 3.25Å; W542-L544 PolarHBondContact O-N 3.26Å; W542-E545 PolarHBondContact O-N 2.96Å; W542-T546 HydrophobicContact CD2-CG2 4.15Å; W542-T546 HydrophobicContact CG-CG2 4.29Å; W542-T546 HydrophobicContact CZ2-CG2 4.02Å; W542-T546 WeakPolarHBondContact O-CB 3.37Å; W542-T546 WeakPolarHBondContact O-CG2 3.49Å; W542-T546 PolarHBondContact O-N 2.92Å; W542-T546 PolarHBondContact O-OG1 3.46Å; W542-H548 AromaticContact CH2-CD2 3.54Å; W542-H548 AromaticContact CZ2-CD2 3.89Å
543L83.2Confident81.5Confident14 Ų1487.9 Ų87.97%0.07343%0.428CS..Hα-helixtrans-61.5-33.4177-80178000112.8F539 H540 E541 G547 H548 R549 L552F539-L543 HydrophobicContact CD1-CD1 3.89Å; F539-L543 HydrophobicContact CD1-CG 4.36Å; F539-L543 HydrophobicContact CE1-CD1 3.44Å; F539-L543 VanDerWaalsContact CE1-CD1 3.44Å; F539-L543 HydrophobicContact CE1-CG 4.01Å; F539-L543 HydrophobicContact CE2-CD2 4.39Å; F539-L543 HydrophobicContact CE2-CG 4.25Å; F539-L543 HydrophobicContact CZ-CD1 3.82Å; F539-L543 HydrophobicContact CZ-CD2 4.04Å; F539-L543 HydrophobicContact CZ-CG 3.94Å; F539-L543 WeakPolarHBondContact O-CB 3.35Å; F539-L543 WeakPolarHBondContact O-CG 3.32Å; F539-L543 PolarHBondContact O-N 2.85Å; H540-L543 PolarHBondContact O-N 3.47Å; E541-L543 PolarHBondContact O-N 3.17Å; L543-G547 PolarHBondContact O-N 3.38Å; L543-H548 HydrophobicContact CD2-CB 3.73Å; L543-H548 PolarHBondContact O-N 2.85Å; L543-R549 HydrophobicContact CB-CB 4.3Å; L543-R549 PolarHBondContact O-N 2.79Å; L543-L552 HydrophobicContact CD1-CD1 4.02Å; L543-L552 HydrophobicContact CD2-CD1 3.76Å
544L79.3Confident80.6Confident105 Ų10583.9 Ų83.955%0.5541%0.412SS..Hα-helixtrans-75.2-45.8176.6-74.2169.9000111.6H540 E541 W542 T546 G547H540-L544 WeakPolarHBondContact O-CG 3.18Å; H540-L544 PolarHBondContact O-N 2.95Å; H540-L544 VanDerWaalsContact O-N 3.12Å; E541-L544 WeakPolarHBondContact O-CB 3.39Å; E541-L544 PolarHBondContact O-N 3.38Å; E541-L544 VanDerWaalsContact O-N 3.17Å; W542-L544 VanDerWaalsContact C-N 3.25Å; W542-L544 PolarHBondContact O-N 3.26Å; L544-T546 VanDerWaalsContact C-N 3.32Å; L544-T546 PolarHBondContact O-N 3.22Å; L544-G547 PolarHBondContact O-N 3.48Å
545E80.1Confident79.6Confident163 Ų16380.9 Ų80.976%0.76240%0.396SS*.Hα-helixtrans-65.2-35.2179.9-72.4177.9174.600112.6E541 W542E541-E545 WeakPolarHBondContact O-CG 3.36Å; E541-E545 PolarHBondContact O-N 3.38Å; W542-E545 PolarHBondContact O-N 2.96Å
546T75.1Confident78.5Confident58 Ų5883.2 Ų83.236%0.35641%0.406SS..Hα-helixtrans-88.8-13.1-178.356.10000114.5W542 L544 H548W542-T546 HydrophobicContact CD2-CG2 4.15Å; W542-T546 HydrophobicContact CG-CG2 4.29Å; W542-T546 HydrophobicContact CZ2-CG2 4.02Å; W542-T546 WeakPolarHBondContact O-CB 3.37Å; W542-T546 WeakPolarHBondContact O-CG2 3.49Å; W542-T546 PolarHBondContact O-N 2.92Å; W542-T546 PolarHBondContact O-OG1 3.46Å; L544-T546 VanDerWaalsContact C-N 3.32Å; L544-T546 PolarHBondContact O-N 3.22Å; T546-H548 VanDerWaalsContact CB-CD2 3.41Å; T546-H548 WeakPolarHBondContact CB-CD2 3.22Å; T546-H548 PolarHBondContact O-N 3.45Å; T546-H548 PolarHBondContact OG1-CD2 2.94Å
547G69.4Low76.9Confident35 Ų3583.1 Ų83.136%0.36141%0.412SS..SBendtrans75.6-0-175.100000115.1L543 L544 R549 Q550L543-G547 PolarHBondContact O-N 3.38Å; L544-G547 PolarHBondContact O-N 3.48Å; G547-R549 PolarHBondContact O-N 3.4Å; G547-R549 VanDerWaalsContact O-N 3.15Å; G547-Q550 PolarHBondContact O-N 3.45Å
548H75.4Confident74.6Confident62 Ų6283.6 Ų83.629%0.28742%0.419SS..Hα-helixtrans-63.3-18.8178.6-74.3-57.5000113.7W542 L543 T546 Q550 E551 L552W542-H548 AromaticContact CH2-CD2 3.54Å; W542-H548 AromaticContact CZ2-CD2 3.89Å; L543-H548 HydrophobicContact CD2-CB 3.73Å; L543-H548 PolarHBondContact O-N 2.85Å; T546-H548 VanDerWaalsContact CB-CD2 3.41Å; T546-H548 WeakPolarHBondContact CB-CD2 3.22Å; T546-H548 PolarHBondContact O-N 3.45Å; T546-H548 PolarHBondContact OG1-CD2 2.94Å; H548-Q550 VanDerWaalsContact C-N 3.27Å; H548-Q550 PolarHBondContact O-N 3.4Å; H548-E551 IonicContact ND1-OE2 2.89Å; H548-E551 PolarHBondContact ND1-OE2 3.34Å; H548-E551 WeakPolarHBondContact O-CB 3.42Å; H548-E551 PolarHBondContact O-N 2.96Å; H548-L552 PolarHBondContact O-N 2.89Å
549R75.1Confident71.9Confident114 Ų11487 Ų8743%0.4344%0.44SS..Hα-helixtrans-56.2-40.6172.8-175.8171.3-178.8164.93.8112.9L543 G547 E551 L552 D553L543-R549 HydrophobicContact CB-CB 4.3Å; L543-R549 PolarHBondContact O-N 2.79Å; G547-R549 PolarHBondContact O-N 3.4Å; G547-R549 VanDerWaalsContact O-N 3.15Å; R549-E551 VanDerWaalsContact C-N 3.3Å; R549-E551 PolarHBondContact O-N 3.31Å; R549-L552 PolarHBondContact O-N 3.34Å; R549-D553 WeakPolarHBondContact CG-OD2 3.37Å; R549-D553 IonicContact NE-OD2 2.67Å; R549-D553 WeakPolarHBondContact O-CB 3.4Å; R549-D553 VanDerWaalsContact O-CG 3.27Å; R549-D553 PolarHBondContact O-N 2.97Å
550Q69.6Low69.4Low116 Ų11685.4 Ų85.454%0.54245%0.445SS..Hα-helixtrans-65-36.8-179.1-65.9-178-100112G547 H548 S554G547-Q550 PolarHBondContact O-N 3.45Å; H548-Q550 VanDerWaalsContact C-N 3.27Å; H548-Q550 PolarHBondContact O-N 3.4Å; Q550-S554 VanDerWaalsContact O-CB 3.22Å; Q550-S554 WeakPolarHBondContact O-CB 3.33Å; Q550-S554 PolarHBondContact O-N 3.32Å; Q550-S554 VanDerWaalsContact O-N 3.07Å; Q550-S554 PolarHBondContact O-OG 2.89Å
551E71.7Confident67Low29 Ų2987.9 Ų87.914%0.13646%0.462CS..Hα-helixtrans-62.1-50.5175.3-167.8169.6-172.600110.2F340 Y342 H548 R549 S554 L555F340-E551 HydrophobicContact CD1-CB 4.42Å; F340-E551 HydrophobicContact CD1-CG 3.8Å; F340-E551 HydrophobicContact CE1-CB 3.71Å; F340-E551 VanDerWaalsContact CE1-CD 3.44Å; F340-E551 HydrophobicContact CE1-CG 3.5Å; F340-E551 VanDerWaalsContact CE1-CG 3.5Å; F340-E551 HydrophobicContact CE2-CB 3.94Å; F340-E551 HydrophobicContact CE2-CG 4.28Å; F340-E551 HydrophobicContact CG-CG 4.34Å; F340-E551 HydrophobicContact CZ-CB 3.45Å; F340-E551 VanDerWaalsContact CZ-CB 3.45Å; F340-E551 HydrophobicContact CZ-CG 3.78Å; Y342-E551 PolarHBondContact OH-OE1 2.92Å; H548-E551 IonicContact ND1-OE2 2.89Å; H548-E551 PolarHBondContact ND1-OE2 3.34Å; H548-E551 WeakPolarHBondContact O-CB 3.42Å; H548-E551 PolarHBondContact O-N 2.96Å; R549-E551 VanDerWaalsContact C-N 3.3Å; R549-E551 PolarHBondContact O-N 3.31Å; E551-S554 PolarHBondContact O-N 3.32Å; E551-S554 PolarHBondContact O-OG 3.28Å; E551-L555 HydrophobicContact CG-CD1 4.25Å; E551-L555 VanDerWaalsContact O-CG 3.27Å; E551-L555 WeakPolarHBondContact O-CG 3.45Å; E551-L555 PolarHBondContact O-N 2.89Å
552L74.1Confident64.2Low81 Ų8190.1 Ų90.142%0.42449%0.486SS..Hα-helixtrans-62.5-49.7178.6-66.9174.8000112.5L543 H548 R549 S554 L555 I556L543-L552 HydrophobicContact CD1-CD1 4.02Å; L543-L552 HydrophobicContact CD2-CD1 3.76Å; H548-L552 PolarHBondContact O-N 2.89Å; R549-L552 PolarHBondContact O-N 3.34Å; L552-S554 PolarHBondContact O-N 3.39Å; L552-L555 PolarHBondContact O-N 3.04Å; L552-I556 WeakPolarHBondContact O-CG1 3.42Å; L552-I556 PolarHBondContact O-N 3.1Å
553D74.4Confident61.5Low91 Ų9193.1 Ų93.149%0.48751%0.505SS..Hα-helixtrans-59.6-33.8-179.6-71.7-17.3000111.4R549R549-D553 WeakPolarHBondContact CG-OD2 3.37Å; R549-D553 IonicContact NE-OD2 2.67Å; R549-D553 WeakPolarHBondContact O-CB 3.4Å; R549-D553 VanDerWaalsContact O-CG 3.27Å; R549-D553 PolarHBondContact O-N 2.97Å
554S68.9Low59Low22 Ų22101.2 Ų101.215%0.15454%0.54CS..Hα-helixtrans-76.7-19.3177.976.10000114.8T318 Q550 E551 L552T318-S554 VanDerWaalsContact OG1-CB 3.29Å; T318-S554 WeakPolarHBondContact OG1-CB 3.47Å; T318-S554 PolarHBondContact OG1-OG 3Å; Q550-S554 VanDerWaalsContact O-CB 3.22Å; Q550-S554 WeakPolarHBondContact O-CB 3.33Å; Q550-S554 PolarHBondContact O-N 3.32Å; Q550-S554 VanDerWaalsContact O-N 3.07Å; Q550-S554 PolarHBondContact O-OG 2.89Å; E551-S554 PolarHBondContact O-N 3.32Å; E551-S554 PolarHBondContact O-OG 3.28Å; L552-S554 PolarHBondContact O-N 3.39Å
555L70.6Confident56.6Low45 Ų45104.6 Ų104.624%0.23656%0.558CS.*Hα-helixtrans-90.8-17.6-179.5-72.6169000112.7T318 P482 F483 E551 L552 P557T318-L555 HydrophobicContact CG2-CD2 3.83Å; P482-L555 HydrophobicContact CB-CD1 3.95Å; P482-L555 HydrophobicContact CB-CD2 4.16Å; P482-L555 HydrophobicContact CG-CD1 3.93Å; P482-L555 HydrophobicContact CG-CD2 3.7Å; F483-L555 HydrophobicContact CE1-CD2 4.09Å; F483-L555 HydrophobicContact CZ-CD2 3.93Å; E551-L555 HydrophobicContact CG-CD1 4.25Å; E551-L555 VanDerWaalsContact O-CG 3.27Å; E551-L555 WeakPolarHBondContact O-CG 3.45Å; E551-L555 PolarHBondContact O-N 2.89Å; L552-L555 PolarHBondContact O-N 3.04Å; L555-P557 VanDerWaalsContact O-CD 3.31Å; L555-P557 WeakPolarHBondContact O-CD 2.79Å
556I65.2Low54.2Low111 Ų111101.2 Ų101.257%0.56955%0.553SS**SBendtrans-75.3117.8179.4-63.2165000109.2L552 T558L552-I556 WeakPolarHBondContact O-CG1 3.42Å; L552-I556 PolarHBondContact O-N 3.1Å; I556-T558 PolarHBondContact O-N 3.45Å
557P53.8Low52.1Low84 Ų84106.9 Ų106.955%0.54558%0.581SS.*PPolyproline II helixtrans-63126.7172.1-15.328.9000109.2L555 M559L555-P557 VanDerWaalsContact O-CD 3.31Å; L555-P557 WeakPolarHBondContact O-CD 2.79Å; P557-M559 PolarHBondContact O-N 3.35Å; P557-M559 VanDerWaalsContact O-N 3.15Å
558T43.1Very low50.2Low101 Ų101109.2 Ų109.262%0.6261%0.605SS**PPolyproline II helixtrans-62.4119.9167.62.60000107.6Q285 I556 A560Q285-T558 PolarHBondContact O-OG1 2.85Å; I556-T558 PolarHBondContact O-N 3.45Å; T558-A560 PolarHBondContact O-N 3.17Å
559M33.3Very low47.8Very low198 Ų198111.3 Ų111.398%0.97563%0.633SS**SBendtrans-67.870.1179.2-74.2-118.9-103.400111.5P557P557-M559 PolarHBondContact O-N 3.35Å; P557-M559 VanDerWaalsContact O-N 3.15Å
560A36Very low45.6Very low70 Ų70110.2 Ų110.258%0.57965%0.648SS**  trans-149.660.6177.100000110.7T558T558-A560 PolarHBondContact O-N 3.17Å
561N33.8Very low43.6Very low151 Ų151111 Ų11181%0.80766%0.661SS**SBendtrans-151.316.1159.8-110.6-11.5000115.7
562S29.8Very low41.3Very low124 Ų124117.7 Ų117.787%0.86770%0.698SS**SBendtrans-92.36.9177.6-460000114.4
563Q30.6Very low39Very low181 Ų181119 Ų11985%0.84671%0.714SS**SBendtrans-130.414-173-92.3-177.5-23.200116.3
564K30.6Very low36.7Very low185 Ų185120.1 Ų120.180%0.80473%0.729SS**SBendtrans-12238.2174.9-92.8-173.5178.1176.40114.2
565N28.7Very low34.6Very low175 Ų175130.8 Ų130.894%0.93677%0.766SS**SBendtrans-137.834167.3-93.5-9.2000112.2
566S29.9Very low32.5Very low92 Ų92133 Ų13364%0.64379%0.79SS**SBendtrans-134.369.716963.80000109
567D30.8Very low30.5Very low177 Ų177136.2 Ų136.295%0.94780%0.8SS**  trans-174.9106.8150.9-93.7-21.6000109
568G28.6Very low29.2Very low84 Ų84139 Ų13987%0.86681%0.811SS**  trans161.242-179.500000114.1
569A25.9Very low28.3Very low107 Ų107139 Ų13988%0.88482%0.821SS**  trans-122.577.2167.400000109.1
570A27.6Very low28.1Very low90 Ų90139.1 Ų139.174%0.74482%0.816SS**  trans-95.4110.2162.800000108.2
571T27.6Very low27.5Very low133 Ų133141.7 Ų141.782%0.81683%0.827SS**  trans33.4110.9143.455.10000118.2
572D25Very low27.1Very low170 Ų170141.1 Ų141.191%0.90983%0.828SS**  -150.5131.9126.1-130.7-14.4000112.1
573S25.2Very low26.8Very low108 Ų108144 Ų14476%0.75583%0.828SS**  trans-110.5120.7-174.456.80000109.9
574S25.9Very low26.5Very low114 Ų114141.1 Ų141.180%0.79782%0.823SS**  trans-167111.6148.858.30000114.3
575R25.4Very low26.2Very low247 Ų247138.1 Ų138.193%0.93282%0.82SS**  trans64.2120.8133.5-79.7-179.7168.6174.5-2.6122.7
576A24.9Very low25.9Very low91 Ų91134.5 Ų134.575%0.75281%0.814SS**  trans76.2144.2130.900000117.8
577K24.9Very low25.7Very low179 Ų179134.3 Ų134.378%0.77882%0.818SS**  cis-170.9154.7-6.4-114.4-178.1177.8-170.70105.9
578D24.9Very low25.8Very low143 Ų143140.4 Ų140.477%0.76583%0.83SS**  trans62111.6151.7-61-41.7000121.2
579A25.9Very low25.6Very low101 Ų101143.2 Ų143.284%0.83583%0.828SS**  162122.9102.700000114
580K27.7Very low25.6Very low199 Ų199145.1 Ų145.187%0.86583%0.826SS**  trans5.2146.5164.8-69.7178.6176.5179.20123.6
581P23.9Very low25.5Very low125 Ų125148.2 Ų148.281%0.81283%0.83SS**  trans-89.8147.7168.237.2-30.5000112.2
582V25.2Very low25.4Very low138 Ų138149.1 Ų149.184%0.83683%0.831SS**  trans-110.6114.8165.91750000108.6
583Q23.8Very low25.4Very low185 Ų185147.8 Ų147.886%0.86483%0.826SS**  trans-86.4138.9161-86.7176.2-32.800109.6
584T24.8Very low25.4Very low120 Ų120150.4 Ų150.474%0.73683%0.831SS**  trans-170.395.8148.8-2.20000106.6
585T23.8Very low25.4Very low123 Ų123153 Ų15376%0.75583%0.833SS**  56.4108.598.656.10000116.4
586A22.6Very low25.4Very low98 Ų98145.8 Ų145.881%0.8183%0.826SS**  65.114511900000123.5
587A24.5Very low25.4Very low88 Ų88150.3 Ų150.373%0.72783%0.832SS**  trans80.7128.6160.100000115.8
588Y33.2Very low25.5Very low305 Ų305147.7 Ų147.7100%1.19684%0.836SS**  cis-135.4023.1-96.2-95.1000112.7

Retrieved 588 of 588 residues in 427.4 ms (Link to these results)

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