A0A087X7E6_POEFO Loading...

Phenylethanolamine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A087X7E6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 241 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
1M38.8Very low44.2Very low81 Ų8163.2 Ų63.240%0.39932%0.317SS..  0-47.80-111.7-173.6-87.400114.1N3 P40 I63 E67 G184M1-N3 PolarHBondContact O-N 3.23Å; M1-P40 HydrophobicContact SD-CG 4.49Å; M1-I63 HydrophobicContact CE-CD1 3.57Å; M1-I63 HydrophobicContact CE-CG1 3.84Å; M1-I63 HydrophobicContact CE-CG2 4.41Å; M1-E67 HydrophobicContact SD-CG 4.45Å; M1-G184 PolarHBondContact N-O 3.33Å
2L34.1Very low44.9Very low142 Ų14258.1 Ų58.174%0.74329%0.292SS*.Hα-helixtrans-64-27.5-175.5-81.3153.3000116.1
3N37.4Very low45.5Very low72 Ų7258.5 Ų58.539%0.38530%0.302SS..Hα-helixtrans-80.6-35.7-177.1-70.7-6000114M1 C5 A6 V227M1-N3 PolarHBondContact O-N 3.23Å; N3-C5 PolarHBondContact O-N 2.63Å; N3-A6 PolarHBondContact O-N 2.86Å; N3-V227 HydrophobicContact CB-CG1 4.36Å
4F42.3Very low46.3Very low58 Ų5860.6 Ų60.625%0.25432%0.315SS..Hα-helixtrans-57.3-37.3172-167.4-117.4000110.6A6 L8 Y182F4-A6 PolarHBondContact O-N 3.31Å; F4-L8 HydrophobicContact CD1-CD1 3.22Å; F4-L8 HydrophobicContact CD2-CD1 4.06Å; F4-L8 HydrophobicContact CE1-CD1 3.11Å; F4-L8 HydrophobicContact CE2-CD1 3.97Å; F4-L8 HydrophobicContact CG-CD1 3.72Å; F4-L8 HydrophobicContact CZ-CD1 3.51Å; F4-L8 WeakPolarHBondContact O-CB 3.21Å; F4-L8 VanDerWaalsContact O-CD1 3.32Å; F4-L8 WeakPolarHBondContact O-CD1 3.42Å; F4-L8 PolarHBondContact O-N 3.3Å; F4-L8 VanDerWaalsContact O-N 3.11Å; F4-Y182 AromaticContact CD2-CD2 3.54Å; F4-Y182 HydrophobicContact CD2-CD2 3.54Å; F4-Y182 AromaticContact CD2-CE2 3.61Å; F4-Y182 HydrophobicContact CD2-CE2 3.61Å; F4-Y182 AromaticContact CE2-CD2 3.69Å; F4-Y182 HydrophobicContact CE2-CD2 3.69Å; F4-Y182 AromaticContact CE2-CE2 3.57Å; F4-Y182 HydrophobicContact CE2-CE2 3.57Å; F4-Y182 HydrophobicContact CE2-CG 4.47Å; F4-Y182 HydrophobicContact CZ-CE2 4.46Å
5C41Very low47.2Very low24 Ų2456.9 Ų56.916%0.16230%0.295CS..Hα-helixtrans-69.3-30.4-179.3-1630000114.6N3 K9 L80N3-C5 PolarHBondContact O-N 2.63Å; C5-K9 WeakPolarHBondContact O-CB 3.2Å; C5-K9 VanDerWaalsContact O-CG 3.28Å; C5-K9 WeakPolarHBondContact O-CG 3.49Å; C5-K9 PolarHBondContact O-N 2.96Å; C5-L80 WeakPolarHBondContact SG-CD1 3.36Å; C5-L80 WeakPolarHBondContact SG-CD2 3.34Å
6A38Very low47.6Very low52 Ų5253.9 Ų53.943%0.4328%0.28SS..Hα-helixtrans-71.5-37.8-178.800000112.4N3 F4 K9 R10N3-A6 PolarHBondContact O-N 2.86Å; F4-A6 PolarHBondContact O-N 3.31Å; A6-K9 WeakPolarHBondContact O-CB 3.3Å; A6-K9 PolarHBondContact O-N 2.97Å; A6-R10 PolarHBondContact O-N 2.87Å
7T46.3Very low48.4Very low9 Ų954.1 Ų54.16%0.05529%0.287CS..Hα-helixtrans-76.4-43.1177.2-56.30000109.6K9 R10 L11 V225 V227 D228T7-K9 VanDerWaalsContact C-N 3.29Å; T7-K9 PolarHBondContact O-N 3.33Å; T7-R10 PolarHBondContact O-N 3.47Å; T7-R10 VanDerWaalsContact O-N 3.1Å; T7-L11 HydrophobicContact CG2-CD1 3.22Å; T7-L11 WeakPolarHBondContact O-CB 3.35Å; T7-L11 WeakPolarHBondContact O-CD1 3.31Å; T7-L11 PolarHBondContact O-N 3.32Å; T7-V225 WeakPolarHBondContact OG1-CG2 3.5Å; T7-V227 HydrophobicContact CG2-CG2 3.87Å; T7-V227 WeakPolarHBondContact OG1-CG2 3.46Å; T7-D228 VanDerWaalsContact CG2-OD2 3.29Å; T7-D228 WeakPolarHBondContact CG2-OD2 3.4Å
8L51Low49.5Very low9 Ų951.9 Ų51.95%0.04728%0.275CS..Hα-helixtrans-57.6-32.5168.1-90.2141.4000114.6F4 C12 Y43F4-L8 HydrophobicContact CD1-CD1 3.22Å; F4-L8 HydrophobicContact CD2-CD1 4.06Å; F4-L8 HydrophobicContact CE1-CD1 3.11Å; F4-L8 HydrophobicContact CE2-CD1 3.97Å; F4-L8 HydrophobicContact CG-CD1 3.72Å; F4-L8 HydrophobicContact CZ-CD1 3.51Å; F4-L8 WeakPolarHBondContact O-CB 3.21Å; F4-L8 VanDerWaalsContact O-CD1 3.32Å; F4-L8 WeakPolarHBondContact O-CD1 3.42Å; F4-L8 PolarHBondContact O-N 3.3Å; F4-L8 VanDerWaalsContact O-N 3.11Å; L8-C12 VanDerWaalsContact O-CB 3.23Å; L8-C12 WeakPolarHBondContact O-CB 3.4Å; L8-C12 PolarHBondContact O-N 3.5Å; L8-C12 PolarHBondContact O-SG 2.67Å; L8-Y43 HydrophobicContact CD2-CD1 4.23Å; L8-Y43 HydrophobicContact CD2-CE1 3.29Å; L8-Y43 HydrophobicContact CD2-CE2 4.25Å; L8-Y43 WeakPolarHBondContact CD2-OH 3.38Å
9K47.8Very low50.2Low101 Ų10149.8 Ų49.844%0.43926%0.263SS..Hα-helixtrans-60.6-48.5171.5-85.5177.7-176.7-174.50112.2C5 A6 T7 C13 Y85C5-K9 WeakPolarHBondContact O-CB 3.2Å; C5-K9 VanDerWaalsContact O-CG 3.28Å; C5-K9 WeakPolarHBondContact O-CG 3.49Å; C5-K9 PolarHBondContact O-N 2.96Å; A6-K9 WeakPolarHBondContact O-CB 3.3Å; A6-K9 PolarHBondContact O-N 2.97Å; T7-K9 VanDerWaalsContact C-N 3.29Å; T7-K9 PolarHBondContact O-N 3.33Å; K9-C13 PolarHBondContact O-N 3.32Å; K9-C13 PolarHBondContact O-SG 2.82Å; K9-C13 VanDerWaalsContact O-SG 3.33Å; K9-Y85 VanDerWaalsContact CA-OH 3.22Å; K9-Y85 WeakPolarHBondContact CA-OH 3.47Å; K9-Y85 HydrophobicContact CG-CE2 4.15Å; K9-Y85 WeakPolarHBondContact CG-OH 3.2Å; K9-Y85 PolarHBondContact N-OH 2.7Å
10R54.4Low51Low132 Ų13249.5 Ų49.550%0.49826%0.259SS..Hα-helixtrans-73.5-36.8179.6-76-176.9175.9-166.6-2112.1A6 T7 N14 D222 M223A6-R10 PolarHBondContact O-N 2.87Å; T7-R10 PolarHBondContact O-N 3.47Å; T7-R10 VanDerWaalsContact O-N 3.1Å; R10-N14 PolarHBondContact O-N 2.89Å; R10-N14 PolarHBondContact O-ND2 3.39Å; R10-D222 PolarHBondContact NH1-O 3.24Å; R10-M223 HydrophobicContact CB-SD 4.47Å
11L55.7Low51.7Low15 Ų1548.2 Ų48.28%0.07926%0.255CS..Hα-helixtrans-61.4-67.5172.6-85.8120.9000109.3T7 C13 N14 F15 F142 V233T7-L11 HydrophobicContact CG2-CD1 3.22Å; T7-L11 WeakPolarHBondContact O-CB 3.35Å; T7-L11 WeakPolarHBondContact O-CD1 3.31Å; T7-L11 PolarHBondContact O-N 3.32Å; L11-C13 VanDerWaalsContact C-N 3.26Å; L11-C13 PolarHBondContact O-N 2.88Å; L11-N14 CarbonylContact O-C 3.54Å; L11-N14 WeakPolarHBondContact O-CA 3.46Å; L11-N14 PolarHBondContact O-N 2.86Å; L11-F15 VanDerWaalsContact CA-CE2 3.41Å; L11-F15 HydrophobicContact CB-CD2 3.48Å; L11-F15 VanDerWaalsContact CB-CD2 3.48Å; L11-F15 HydrophobicContact CB-CE2 3.61Å; L11-F15 HydrophobicContact CD2-CD2 3.57Å; L11-F15 HydrophobicContact CD2-CE2 3.19Å; L11-F15 HydrophobicContact CD2-CZ 3.7Å; L11-F15 HydrophobicContact CG-CD2 3.76Å; L11-F15 HydrophobicContact CG-CE2 3.35Å; L11-F15 HydrophobicContact CG-CZ 4.24Å; L11-F15 WeakPolarHBondContact O-CD2 3.49Å; L11-F15 PolarHBondContact O-N 3.18Å; L11-F142 HydrophobicContact CD2-CZ 4.09Å; L11-V233 HydrophobicContact CD2-CG2 3.5Å
12C52.7Low53Low2 Ų244.4 Ų44.41%0.01424%0.236CC..Hα-helixtrans-53.9-39.8-171.8-63.10000113.3L8 N14 F15 T16 Y43 Y85L8-C12 VanDerWaalsContact O-CB 3.23Å; L8-C12 WeakPolarHBondContact O-CB 3.4Å; L8-C12 PolarHBondContact O-N 3.5Å; L8-C12 PolarHBondContact O-SG 2.67Å; C12-N14 VanDerWaalsContact C-N 3.26Å; C12-N14 PolarHBondContact O-N 2.99Å; C12-F15 PolarHBondContact O-N 3.36Å; C12-T16 WeakPolarHBondContact O-CA 3.37Å; C12-T16 VanDerWaalsContact O-CB 3.22Å; C12-T16 WeakPolarHBondContact O-CB 3.46Å; C12-T16 WeakPolarHBondContact O-CG2 3.31Å; C12-T16 PolarHBondContact O-N 3.11Å; C12-T16 PolarHBondContact O-OG1 3.34Å; C12-T16 VanDerWaalsContact O-OG1 3.04Å; C12-Y43 VanDerWaalsContact SG-CD2 3.5Å; C12-Y85 HydrophobicContact CB-CD1 3.88Å; C12-Y85 HydrophobicContact CB-CE1 3.5Å; C12-Y85 VanDerWaalsContact CB-CE1 3.5Å
13C52.7Low54.7Low63 Ų6338.4 Ų38.443%0.42620%0.204SC..Hα-helixtrans-60.7-31.8176.5-69.90000113.8K9 L11 T16 H88K9-C13 PolarHBondContact O-N 3.32Å; K9-C13 PolarHBondContact O-SG 2.82Å; K9-C13 VanDerWaalsContact O-SG 3.33Å; L11-C13 VanDerWaalsContact C-N 3.26Å; L11-C13 PolarHBondContact O-N 2.88Å; C13-T16 PolarHBondContact O-OG1 3.12Å; C13-H88 PolarHBondContact O-NE2 3.36Å
14N56.8Low56.4Low89 Ų8938.3 Ų38.348%0.47620%0.203SC..Hα-helixtrans-94-24.4178.3-69.9-28.1000113.9R10 L11 C12 M223R10-N14 PolarHBondContact O-N 2.89Å; R10-N14 PolarHBondContact O-ND2 3.39Å; L11-N14 CarbonylContact O-C 3.54Å; L11-N14 WeakPolarHBondContact O-CA 3.46Å; L11-N14 PolarHBondContact O-N 2.86Å; C12-N14 VanDerWaalsContact C-N 3.26Å; C12-N14 PolarHBondContact O-N 2.99Å; N14-M223 PolarHBondContact ND2-SD 3.19Å
15F58.7Low57.4Low4 Ų442 Ų422%0.01823%0.233CC..Hα-helixtrans-102.80.9-177.3-60.7-81.2000114L11 C12 S17 F18 F19 Y217 L219 V233L11-F15 VanDerWaalsContact CA-CE2 3.41Å; L11-F15 HydrophobicContact CB-CD2 3.48Å; L11-F15 VanDerWaalsContact CB-CD2 3.48Å; L11-F15 HydrophobicContact CB-CE2 3.61Å; L11-F15 HydrophobicContact CD2-CD2 3.57Å; L11-F15 HydrophobicContact CD2-CE2 3.19Å; L11-F15 HydrophobicContact CD2-CZ 3.7Å; L11-F15 HydrophobicContact CG-CD2 3.76Å; L11-F15 HydrophobicContact CG-CE2 3.35Å; L11-F15 HydrophobicContact CG-CZ 4.24Å; L11-F15 WeakPolarHBondContact O-CD2 3.49Å; L11-F15 PolarHBondContact O-N 3.18Å; C12-F15 PolarHBondContact O-N 3.36Å; F15-S17 PolarHBondContact O-N 3.22Å; F15-F18 HydrophobicContact CB-CD2 4.19Å; F15-F18 AromaticContact CD1-CD2 3.84Å; F15-F18 HydrophobicContact CD1-CD2 3.84Å; F15-F18 AromaticContact CD1-CE2 3.64Å; F15-F18 HydrophobicContact CD1-CE2 3.64Å; F15-F18 HydrophobicContact CE1-CE2 4.32Å; F15-F18 HydrophobicContact CG-CD2 4.48Å; F15-F18 VanDerWaalsContact O-CB 3.28Å; F15-F18 WeakPolarHBondContact O-CB 3.47Å; F15-F18 PolarHBondContact O-N 3.46Å; F15-F19 HydrophobicContact CB-CE2 4.03Å; F15-F19 VanDerWaalsContact O-CD2 3.26Å; F15-F19 WeakPolarHBondContact O-CD2 3.28Å; F15-Y217 HydrophobicContact CD1-CD1 4.18Å; F15-Y217 HydrophobicContact CD1-CG 4.02Å; F15-Y217 VanDerWaalsContact CE1-CB 3.5Å; F15-Y217 AromaticContact CE1-CD1 3.03Å; F15-Y217 HydrophobicContact CE1-CD1 3.03Å; F15-Y217 HydrophobicContact CE1-CD2 4.05Å; F15-Y217 AromaticContact CE1-CE1 3.68Å; F15-Y217 HydrophobicContact CE1-CE1 3.68Å; F15-Y217 AromaticContact CE1-CG 3.23Å; F15-Y217 HydrophobicContact CE1-CG 3.23Å; F15-Y217 HydrophobicContact CE2-CD1 4.35Å; F15-Y217 HydrophobicContact CE2-CE1 4.26Å; F15-Y217 AromaticContact CZ-CD1 3.11Å; F15-Y217 HydrophobicContact CZ-CD1 3.11Å; F15-Y217 AromaticContact CZ-CE1 3.31Å; F15-Y217 HydrophobicContact CZ-CE1 3.31Å; F15-Y217 AromaticContact CZ-CG 3.81Å; F15-Y217 HydrophobicContact CZ-CG 3.81Å; F15-L219 HydrophobicContact CZ-CD1 4.34Å; F15-V233 HydrophobicContact CD1-CB 4.35Å; F15-V233 HydrophobicContact CD1-CG1 4.42Å; F15-V233 HydrophobicContact CE1-CB 3.75Å; F15-V233 HydrophobicContact CE1-CG1 4.31Å; F15-V233 HydrophobicContact CE1-CG2 3.96Å; F15-V233 HydrophobicContact CZ-CB 4.28Å; F15-V233 HydrophobicContact CZ-CG2 3.97Å
16T54.8Low58.7Low9 Ų944.9 Ų44.96%0.05527%0.267CS..Hα-helixtrans-59.2-20.1-177.332.90000114.4C12 C13 F18 F19 F20 H88 V89 L92C12-T16 WeakPolarHBondContact O-CA 3.37Å; C12-T16 VanDerWaalsContact O-CB 3.22Å; C12-T16 WeakPolarHBondContact O-CB 3.46Å; C12-T16 WeakPolarHBondContact O-CG2 3.31Å; C12-T16 PolarHBondContact O-N 3.11Å; C12-T16 PolarHBondContact O-OG1 3.34Å; C12-T16 VanDerWaalsContact O-OG1 3.04Å; C13-T16 PolarHBondContact O-OG1 3.12Å; T16-F18 VanDerWaalsContact C-N 3.32Å; T16-F18 PolarHBondContact O-N 3.44Å; T16-F19 PolarHBondContact O-N 2.97Å; T16-F20 VanDerWaalsContact O-CB 3.23Å; T16-F20 WeakPolarHBondContact O-CB 3.36Å; T16-F20 PolarHBondContact O-N 3.41Å; T16-H88 PolarHBondContact OG1-CD2 2.85Å; T16-H88 VanDerWaalsContact OG1-CD2 3.27Å; T16-H88 PolarHBondContact OG1-NE2 2.89Å; T16-V89 HydrophobicContact CG2-CG2 4.42Å; T16-L92 HydrophobicContact CG2-CD1 4.12Å; T16-L92 WeakPolarHBondContact OG1-CD1 3.39Å
17S61.3Low60.6Low57 Ų5745.6 Ų45.640%0.39926%0.263SS..Hα-helixtrans-63.1-35.5167.857.90000112.9F15 F19 F20 S21F15-S17 PolarHBondContact O-N 3.22Å; S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 PolarHBondContact O-N 3.2Å; S17-F20 PolarHBondContact O-N 3.4Å; S17-S21 WeakPolarHBondContact O-CB 3.29Å; S17-S21 PolarHBondContact O-N 3.09Å
18F66.6Low62.5Low15 Ų1545.4 Ų45.47%0.06626%0.262CS..Hα-helixtrans-66.6-33.2175.4-64-17.2000111.8F15 T16 P22 I174 E215 F235F15-F18 HydrophobicContact CB-CD2 4.19Å; F15-F18 AromaticContact CD1-CD2 3.84Å; F15-F18 HydrophobicContact CD1-CD2 3.84Å; F15-F18 AromaticContact CD1-CE2 3.64Å; F15-F18 HydrophobicContact CD1-CE2 3.64Å; F15-F18 HydrophobicContact CE1-CE2 4.32Å; F15-F18 HydrophobicContact CG-CD2 4.48Å; F15-F18 VanDerWaalsContact O-CB 3.28Å; F15-F18 WeakPolarHBondContact O-CB 3.47Å; F15-F18 PolarHBondContact O-N 3.46Å; T16-F18 VanDerWaalsContact C-N 3.32Å; T16-F18 PolarHBondContact O-N 3.44Å; F18-P22 WeakPolarHBondContact O-CD 3.47Å; F18-P22 WeakPolarHBondContact O-CG 3.5Å; F18-I174 HydrophobicContact CB-CD1 4.34Å; F18-E215 HydrophobicContact CD1-CB 4.33Å; F18-E215 VanDerWaalsContact CD1-OE2 3.26Å; F18-E215 WeakPolarHBondContact CD1-OE2 3.46Å; F18-E215 HydrophobicContact CE1-CB 3.57Å; F18-E215 HydrophobicContact CE1-CG 4.36Å; F18-E215 WeakPolarHBondContact CE1-OE2 3.43Å; F18-E215 HydrophobicContact CZ-CB 3.85Å; F18-F235 HydrophobicContact CB-CB 3.82Å; F18-F235 HydrophobicContact CB-CD2 3.9Å; F18-F235 HydrophobicContact CB-CG 3.83Å; F18-F235 HydrophobicContact CD1-CB 3.96Å; F18-F235 HydrophobicContact CD1-CD1 4.48Å; F18-F235 HydrophobicContact CD1-CG 4.26Å; F18-F235 HydrophobicContact CD2-CB 3.61Å; F18-F235 HydrophobicContact CE1-CB 4.41Å; F18-F235 HydrophobicContact CE2-CB 4.06Å; F18-F235 HydrophobicContact CG-CB 3.54Å; F18-F235 AromaticContact CG-CG 3.99Å; F18-F235 HydrophobicContact CG-CG 3.99Å; F18-F235 HydrophobicContact CZ-CB 4.44Å; F18-F235 WeakPolarHBondContact O-CE2 3.28Å
19F63.6Low64.2Low12 Ų1249.1 Ų49.15%0.05329%0.289CS..Hα-helixtrans-82.9-26178.2-61.7-78.1000113.2F15 T16 S17 F23 Y43 Q44 I174F15-F19 HydrophobicContact CB-CE2 4.03Å; F15-F19 VanDerWaalsContact O-CD2 3.26Å; F15-F19 WeakPolarHBondContact O-CD2 3.28Å; T16-F19 PolarHBondContact O-N 2.97Å; S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 PolarHBondContact O-N 3.2Å; F19-F23 WeakPolarHBondContact O-CD2 2.97Å; F19-F23 WeakPolarHBondContact O-CE2 3.25Å; F19-Y43 HydrophobicContact CD1-CD2 4.06Å; F19-Y43 HydrophobicContact CD1-CE2 4.3Å; F19-Y43 HydrophobicContact CD2-CD2 4.41Å; F19-Y43 AromaticContact CE1-CD2 3.58Å; F19-Y43 HydrophobicContact CE1-CD2 3.58Å; F19-Y43 AromaticContact CE1-CE2 3.38Å; F19-Y43 HydrophobicContact CE1-CE2 3.38Å; F19-Y43 HydrophobicContact CE2-CD2 4.02Å; F19-Y43 HydrophobicContact CE2-CE2 4.11Å; F19-Y43 HydrophobicContact CG-CD2 4.43Å; F19-Y43 AromaticContact CZ-CD2 3.59Å; F19-Y43 HydrophobicContact CZ-CD2 3.59Å; F19-Y43 AromaticContact CZ-CE2 3.29Å; F19-Y43 HydrophobicContact CZ-CE2 3.29Å; F19-Q44 HydrophobicContact CD1-CB 3.89Å; F19-Q44 HydrophobicContact CE1-CB 3.74Å; F19-I174 HydrophobicContact CD1-CD1 3.47Å; F19-I174 VanDerWaalsContact CD1-CD1 3.47Å; F19-I174 HydrophobicContact CD2-CD1 4.44Å; F19-I174 HydrophobicContact CE1-CD1 3.09Å; F19-I174 HydrophobicContact CE1-CG1 4.42Å; F19-I174 HydrophobicContact CE2-CD1 4.13Å; F19-I174 HydrophobicContact CG-CD1 4.17Å; F19-I174 HydrophobicContact CZ-CD1 3.45Å; F19-I174 VanDerWaalsContact CZ-CD1 3.45Å; F19-I174 HydrophobicContact CZ-CG2 4.27Å
20F66.4Low66.4Low43 Ų4345.5 Ų45.519%0.18928%0.28CS..Hα-helixtrans-94.1-48.8-177.5168-109.5000113.1T16 S17 P22 F23 L24 L92 E93T16-F20 VanDerWaalsContact O-CB 3.23Å; T16-F20 WeakPolarHBondContact O-CB 3.36Å; T16-F20 PolarHBondContact O-N 3.41Å; S17-F20 PolarHBondContact O-N 3.4Å; F20-P22 VanDerWaalsContact C-N 3.31Å; F20-P22 VanDerWaalsContact O-N 3.15Å; F20-F23 PolarHBondContact O-N 3.37Å; F20-L24 HydrophobicContact CE1-CD2 3.73Å; F20-L24 HydrophobicContact CE2-CD2 4.29Å; F20-L24 HydrophobicContact CZ-CD2 3.5Å; F20-L92 HydrophobicContact CB-CB 4.47Å; F20-L92 HydrophobicContact CD1-CB 4.21Å; F20-L92 HydrophobicContact CD2-CB 4.44Å; F20-L92 VanDerWaalsContact CE1-O 3.3Å; F20-L92 WeakPolarHBondContact CE1-O 3.39Å; F20-L92 HydrophobicContact CG-CB 4.09Å; F20-L92 WeakPolarHBondContact CZ-O 3.33Å; F20-E93 HydrophobicContact CD2-CG 3.62Å; F20-E93 HydrophobicContact CE2-CB 4.04Å; F20-E93 HydrophobicContact CE2-CG 3.44Å; F20-E93 VanDerWaalsContact CE2-CG 3.44Å
21S64.8Low68.4Low24 Ų2443 Ų4317%0.16827%0.274CS..G310 helixtrans-54.6-33.3-172.6-175.10000115.6S17 F23 L24 R213S17-S21 WeakPolarHBondContact O-CB 3.29Å; S17-S21 PolarHBondContact O-N 3.09Å; S21-F23 PolarHBondContact O-N 3.08Å; S21-L24 WeakPolarHBondContact O-CD1 3.43Å; S21-L24 WeakPolarHBondContact O-CG 3.34Å; S21-L24 PolarHBondContact O-N 3.21Å; S21-R213 PolarHBondContact OG-NH1 3.45Å
22P65.7Low70.4Confident1 Ų142.7 Ų42.71%0.00627%0.273CS..G310 helixtrans-74.7-14.9-179.7-17.233.1000114.1F18 F20 V28 M172 F235F18-P22 WeakPolarHBondContact O-CD 3.47Å; F18-P22 WeakPolarHBondContact O-CG 3.5Å; F20-P22 VanDerWaalsContact C-N 3.31Å; F20-P22 VanDerWaalsContact O-N 3.15Å; P22-V28 WeakPolarHBondContact O-CG2 3.3Å; P22-M172 HydrophobicContact CB-CE 3.51Å; P22-M172 HydrophobicContact CB-CG 4.44Å; P22-M172 HydrophobicContact CB-SD 3.49Å; P22-M172 WeakPolarHBondContact CB-SD 3.22Å; P22-M172 HydrophobicContact CG-SD 3.95Å; P22-F235 HydrophobicContact CB-CZ 4.07Å; P22-F235 HydrophobicContact CG-CE1 4.06Å; P22-F235 HydrophobicContact CG-CE2 3.56Å; P22-F235 HydrophobicContact CG-CZ 3.18Å
23F71.8Confident72.6Confident15 Ų1542.6 Ų42.67%0.06627%0.272CS..G310 helixtrans-103.215.4179.5-58.3-67000112.3F19 F20 S21 L33 V51 F52 V139 M172F19-F23 WeakPolarHBondContact O-CD2 2.97Å; F19-F23 WeakPolarHBondContact O-CE2 3.25Å; F20-F23 PolarHBondContact O-N 3.37Å; S21-F23 PolarHBondContact O-N 3.08Å; F23-L33 HydrophobicContact CE1-CD1 3.9Å; F23-L33 HydrophobicContact CZ-CD1 3.97Å; F23-V51 HydrophobicContact CB-CG2 3.88Å; F23-V51 HydrophobicContact CD1-CG2 4.29Å; F23-V51 HydrophobicContact CG-CG2 4.47Å; F23-F52 HydrophobicContact CD1-CE2 4.06Å; F23-F52 AromaticContact CE1-CE2 3.76Å; F23-F52 HydrophobicContact CE1-CE2 3.76Å; F23-V139 HydrophobicContact CZ-CG2 4.14Å; F23-M172 HydrophobicContact CZ-CG 4.49Å
24L71.8Confident74.7Confident71 Ų7139.6 Ų39.637%0.37225%0.252SS..SBendtrans-59145.6170.3-73.7172.9000110.1F20 S21 G26 D27F20-L24 HydrophobicContact CE1-CD2 3.73Å; F20-L24 HydrophobicContact CE2-CD2 4.29Å; F20-L24 HydrophobicContact CZ-CD2 3.5Å; S21-L24 WeakPolarHBondContact O-CD1 3.43Å; S21-L24 WeakPolarHBondContact O-CG 3.34Å; S21-L24 PolarHBondContact O-N 3.21Å; L24-G26 PolarHBondContact O-N 3.29Å; L24-G26 VanDerWaalsContact O-N 3.17Å; L24-D27 WeakPolarHBondContact O-CB 3.37Å; L24-D27 PolarHBondContact O-N 3.37Å; L24-D27 VanDerWaalsContact O-N 3.08Å
25P63.6Low76.7Confident134 Ų13435.4 Ų35.487%0.8723%0.229SC*.THydrogen-bonded Turntrans-51124.1-176.8-2834.5000112.5
26G67.4Low78.6Confident85 Ų8535.2 Ų35.288%0.87623%0.228SC*.THydrogen-bonded Turntrans89.9-7.4176.700000116L24L24-G26 PolarHBondContact O-N 3.29Å; L24-G26 VanDerWaalsContact O-N 3.17Å
27D79.3Confident80.7Confident67 Ų6735.3 Ų35.336%0.35823%0.231SC..THydrogen-bonded Turntrans-88-35.8-176.6-166.336000113.2L24 K237L24-D27 WeakPolarHBondContact O-CB 3.37Å; L24-D27 PolarHBondContact O-N 3.37Å; L24-D27 VanDerWaalsContact O-N 3.08Å; D27-K237 PolarHBondContact O-NZ 3.32Å; D27-K237 IonicContact OD1-NZ 3.08Å; D27-K237 PolarHBondContact OD1-NZ 2.9Å; D27-K237 IonicContact OD2-NZ 3.55Å; D27-K237 PolarHBondContact OD2-NZ 2.73Å
28V85.3Confident82.3Confident6 Ų632.6 Ų32.64%0.03621%0.212CC..SBendtrans-143.2140.9171.5178.20000109P22 V51 F52 C137 H170 M172P22-V28 WeakPolarHBondContact O-CG2 3.3Å; V28-V51 VanDerWaalsContact O-CG1 3.3Å; V28-V51 WeakPolarHBondContact O-CG1 3.38Å; V28-F52 HydrophobicContact CG1-CE2 4.23Å; V28-F52 HydrophobicContact CG1-CZ 3.69Å; V28-C137 HydrophobicContact CG1-CB 4.49Å; V28-H170 HydrophobicContact CG1-CB 4.34Å; V28-H170 HydrophobicContact CG2-CB 4.3Å; V28-M172 HydrophobicContact CG2-CE 3.48Å; V28-M172 VanDerWaalsContact CG2-CE 3.48Å
29S87.8Confident83.6Confident87 Ų8732.3 Ų32.361%0.60821%0.214SC*.  trans-151160.2173.863.50000110.9
30G92.6Very high85Confident24 Ų2433 Ų3325%0.24722%0.219CC..  trans165.2-179.3179.500000111.5
31E96.3Very high86.2Confident79 Ų7931.7 Ų31.737%0.36922%0.215SC..SBendtrans-91.6-45.2176.7176.262.4-170.500111.1N53 K54 D136E31-N53 PolarHBondContact O-N 2.73Å; E31-N53 WeakPolarHBondContact OE2-CB 3.42Å; E31-N53 PolarHBondContact OE2-ND2 2.89Å; E31-K54 PolarHBondContact O-N 2.71Å; E31-K54 VanDerWaalsContact OE1-CE 3.31Å; E31-K54 WeakPolarHBondContact OE1-CE 3.44Å; E31-K54 IonicContact OE1-NZ 2.71Å; E31-D136 WeakPolarHBondContact CA-OD2 3.35Å; E31-D136 PolarHBondContact N-OD2 3.45Å
32L98.2Very high87.5Confident10 Ų1030.6 Ų30.65%0.05221%0.207CC..EExtended strand (participates in β ladder)trans-118.9123-170.7177.961.4000112.7V34 K54 I56 L130 P131 A135 D136 C137L32-V34 HydrophobicContact CD1-CG2 4.3Å; L32-V34 HydrophobicContact CD2-CG2 4.29Å; L32-V34 HydrophobicContact CG-CG2 4.1Å; L32-K54 WeakPolarHBondContact CA-O 3.49Å; L32-K54 HydrophobicContact CD1-CB 3.87Å; L32-I56 HydrophobicContact CD1-CD1 3.94Å; L32-I56 HydrophobicContact CD1-CG1 4.03Å; L32-I56 HydrophobicContact CD2-CD1 4.49Å; L32-L130 HydrophobicContact CD2-CD2 4.17Å; L32-P131 HydrophobicContact CD2-CG 3.81Å; L32-A135 HydrophobicContact CD2-CB 4.18Å; L32-A135 HydrophobicContact CG-CB 4.12Å; L32-D136 PolarHBondContact N-OD2 2.94Å; L32-D136 PolarHBondContact O-N 3.19Å; L32-C137 PolarHBondContact O-N 2.73Å
33L98.3Very high88.6Confident0 Ų031 Ų310%021%0.208CC..EExtended strand (participates in β ladder)trans-108135.5164.6-175.8160000109.9F23 D35 V45 F52 K54 L55 I56 C137 V139F23-L33 HydrophobicContact CE1-CD1 3.9Å; F23-L33 HydrophobicContact CZ-CD1 3.97Å; L33-D35 HydrophobicContact CD2-CB 4.44Å; L33-V45 HydrophobicContact CD2-CG1 4.02Å; L33-F52 HydrophobicContact CB-CB 4.11Å; L33-F52 HydrophobicContact CB-CD1 3.84Å; L33-F52 HydrophobicContact CB-CD2 3.8Å; L33-F52 HydrophobicContact CB-CE1 4.19Å; L33-F52 HydrophobicContact CB-CE2 4.19Å; L33-F52 HydrophobicContact CB-CG 3.62Å; L33-F52 HydrophobicContact CB-CZ 4.36Å; L33-F52 HydrophobicContact CD1-CD2 3.62Å; L33-F52 HydrophobicContact CD1-CE2 3.62Å; L33-F52 HydrophobicContact CD1-CG 4.33Å; L33-F52 HydrophobicContact CD1-CZ 4.28Å; L33-F52 HydrophobicContact CG-CD2 4.37Å; L33-F52 HydrophobicContact CG-CE2 4.48Å; L33-K54 PolarHBondContact N-O 2.92Å; L33-L55 HydrophobicContact CB-CD2 3.59Å; L33-L55 HydrophobicContact CD1-CD2 4.15Å; L33-L55 HydrophobicContact CD2-CD2 3.22Å; L33-L55 HydrophobicContact CG-CD2 3.79Å; L33-L55 WeakPolarHBondContact O-CA 3.46Å; L33-I56 PolarHBondContact O-N 2.95Å; L33-C137 WeakPolarHBondContact CA-O 3.39Å; L33-C137 HydrophobicContact CB-CB 4.3Å; L33-C137 HydrophobicContact CD1-CB 4.3Å; L33-C137 HydrophobicContact CG-CB 4.12Å; L33-V139 HydrophobicContact CD1-CG2 3.78Å; L33-V139 HydrophobicContact CD2-CB 4.22Å; L33-V139 HydrophobicContact CD2-CG2 3.79Å; L33-V139 HydrophobicContact CG-CG2 4.08Å
34V98.6Very high89.4Confident0 Ų030.4 Ų30.40%021%0.206CC..EExtended strand (participates in β ladder)trans-117.5125.4173.3-174.70000109.1L32 I36 I56 T58 L130 A135 C137 L138 V139L32-V34 HydrophobicContact CD1-CG2 4.3Å; L32-V34 HydrophobicContact CD2-CG2 4.29Å; L32-V34 HydrophobicContact CG-CG2 4.1Å; V34-I36 HydrophobicContact CG1-CD1 3.75Å; V34-I56 CarbonylContact C-O 3.53Å; V34-I56 WeakPolarHBondContact CA-O 3.47Å; V34-I56 HydrophobicContact CG1-CB 4.29Å; V34-I56 HydrophobicContact CG1-CG2 4.21Å; V34-I56 HydrophobicContact CG2-CB 4.25Å; V34-T58 HydrophobicContact CG1-CG2 4.01Å; V34-L130 HydrophobicContact CG2-CD1 4.37Å; V34-L130 HydrophobicContact CG2-CD2 3.66Å; V34-A135 HydrophobicContact CB-CB 4.4Å; V34-A135 HydrophobicContact CG2-CB 3.6Å; V34-C137 PolarHBondContact N-O 3.08Å; V34-L138 HydrophobicContact CB-CD2 3.69Å; V34-L138 HydrophobicContact CG1-CD2 4.43Å; V34-L138 HydrophobicContact CG2-CD2 4.38Å; V34-L138 WeakPolarHBondContact O-CA 3.28Å; V34-V139 PolarHBondContact O-N 2.84Å
35D98.6Very high90.5Very high0 Ų027 Ų270%019%0.188CC..EExtended strand (participates in β ladder)trans-95.6119.8174.7-177.340.3000110.1L33 S38 Q44 V45 I56 L57 T58 V139L33-D35 HydrophobicContact CD2-CB 4.44Å; D35-S38 VanDerWaalsContact OD2-CA 3.23Å; D35-S38 WeakPolarHBondContact OD2-CA 3.33Å; D35-S38 WeakPolarHBondContact OD2-CB 3.3Å; D35-S38 PolarHBondContact OD2-OG 2.82Å; D35-Q44 WeakPolarHBondContact OD1-CG 3.23Å; D35-Q44 PolarHBondContact OD2-NE2 2.71Å; D35-V45 HydrophobicContact CB-CG1 3.78Å; D35-I56 PolarHBondContact N-O 3.05Å; D35-L57 HydrophobicContact CB-CD2 3.84Å; D35-T58 WeakPolarHBondContact O-CB 3.3Å; D35-T58 PolarHBondContact O-N 3.03Å; D35-T58 VanDerWaalsContact O-N 3.07Å; D35-T58 PolarHBondContact O-OG1 3.36Å; D35-V139 CarbonylContact C-O 3.59Å; D35-V139 WeakPolarHBondContact CA-O 3.45Å
36I98.6Very high91.9Very high0 Ų020.7 Ų20.70%015%0.147CC..EExtended strand (participates in β ladder)trans-98.4113.7-174.7-55.6-61.1000109.9V34 T58 V119 L138 V139 S140 I161 L164V34-I36 HydrophobicContact CG1-CD1 3.75Å; I36-T58 WeakPolarHBondContact CA-OG1 3.26Å; I36-V119 HydrophobicContact CG2-CG1 3.69Å; I36-L138 HydrophobicContact CG1-CD2 4.45Å; I36-V139 PolarHBondContact N-O 3.19Å; I36-S140 WeakPolarHBondContact O-CB 3.17Å; I36-S140 PolarHBondContact O-OG 3.01Å; I36-I161 HydrophobicContact CG2-CG2 3.88Å; I36-L164 HydrophobicContact CD1-CD1 3.78Å
37G97.3Very high93Very high11 Ų1116.9 Ų16.911%0.11311%0.107CC..SBendtrans7150.3-178.900000112.2G39 T58G37-G39 PolarHBondContact O-N 2.86Å; G37-T58 CarbonylContact C-O 3.51Å; G37-T58 WeakPolarHBondContact CA-O 3.37Å; G37-T58 PolarHBondContact N-O 3.32Å; G37-T58 PolarHBondContact N-OG1 3.18Å
38S96.6Very high93.6Very high1 Ų113.7 Ų13.71%0.0079%0.09CC..  trans-52.8-26.6178.9-56.30000113.7D35 T41 T58D35-S38 VanDerWaalsContact OD2-CA 3.23Å; D35-S38 WeakPolarHBondContact OD2-CA 3.33Å; D35-S38 WeakPolarHBondContact OD2-CB 3.3Å; D35-S38 PolarHBondContact OD2-OG 2.82Å; S38-T41 PolarHBondContact O-N 3.14Å; S38-T41 PolarHBondContact O-OG1 2.97Å; S38-T58 WeakPolarHBondContact CB-O 3.49Å; S38-T58 PolarHBondContact N-O 3.45Å; S38-T58 PolarHBondContact OG-N 2.88Å; S38-T58 VanDerWaalsContact OG-N 3.11Å; S38-T58 PolarHBondContact OG-O 3.12Å
39G93.2Very high94.1Very high9 Ų913.4 Ų13.49%0.0939%0.088CC..THydrogen-bonded Turntrans56.3-152.1-165.200000110.5G37 T41 D59 L68G37-G39 PolarHBondContact O-N 2.86Å; G39-T41 PolarHBondContact O-N 3.08Å; G39-D59 WeakPolarHBondContact CA-OD2 3.46Å; G39-D59 PolarHBondContact N-OD2 2.92Å; G39-L68 WeakPolarHBondContact O-CD1 3.38Å
40P92.1Very high94.3Very high27 Ų2712.2 Ų12.218%0.1757%0.073CC..THydrogen-bonded Turntrans-86.634.8171.936.7-34.8000111.5M1 E67 W82M1-P40 HydrophobicContact SD-CG 4.49Å; P40-E67 HydrophobicContact CB-CB 4.03Å; P40-E67 HydrophobicContact CB-CG 4.49Å; P40-W82 WeakPolarHBondContact O-CZ2 3.33Å
41T91.6Very high94.3Very high14 Ų1413 Ų139%0.0867%0.073CC..  trans-128.3153.3-166.1740000115.7S38 G39 Y43 Q44 W82S38-T41 PolarHBondContact O-N 3.14Å; S38-T41 PolarHBondContact O-OG1 2.97Å; G39-T41 PolarHBondContact O-N 3.08Å; T41-Y43 VanDerWaalsContact CB-CE1 3.44Å; T41-Y43 HydrophobicContact CG2-CE1 3.9Å; T41-Y43 VanDerWaalsContact OG1-CE1 3.29Å; T41-Y43 WeakPolarHBondContact OG1-CE1 3.33Å; T41-Q44 PolarHBondContact O-NE2 2.66Å; T41-Q44 PolarHBondContact OG1-NE2 2.87Å; T41-Q44 PolarHBondContact OG1-OE1 3.08Å; T41-W82 HydrophobicContact CG2-CH2 4.04Å; T41-W82 HydrophobicContact CG2-CZ2 4.44Å
42F92.1Very high94.3Very high2 Ų29.3 Ų9.31%0.0096%0.055CC..  trans-124.9-14.9-177.5-66-78.6000115.4Q44 V45 M46 L57 L68 W71 L72 W82 L107F42-Q44 VanDerWaalsContact C-OE1 3.26Å; F42-Q44 PolarHBondContact O-N 2.81Å; F42-V45 WeakPolarHBondContact O-CG2 3.05Å; F42-V45 PolarHBondContact O-N 3.17Å; F42-M46 HydrophobicContact CB-CE 4Å; F42-M46 WeakPolarHBondContact O-CG 3.38Å; F42-M46 PolarHBondContact O-N 2.91Å; F42-L57 HydrophobicContact CD1-CD1 3.91Å; F42-L57 HydrophobicContact CE1-CD1 3.54Å; F42-L68 HydrophobicContact CD1-CD2 4.23Å; F42-L68 HydrophobicContact CD2-CD2 4.24Å; F42-L68 HydrophobicContact CE1-CD2 3.7Å; F42-L68 HydrophobicContact CE2-CD2 3.69Å; F42-L68 HydrophobicContact CG-CD2 4.48Å; F42-L68 HydrophobicContact CZ-CB 4.05Å; F42-L68 HydrophobicContact CZ-CD2 3.4Å; F42-L68 HydrophobicContact CZ-CG 4.34Å; F42-W71 HydrophobicContact CD1-CE3 4.27Å; F42-W71 HydrophobicContact CD1-CZ3 4.34Å; F42-W71 HydrophobicContact CD2-CD2 4.09Å; F42-W71 HydrophobicContact CD2-CE3 4.1Å; F42-W71 HydrophobicContact CD2-CG 4.39Å; F42-W71 AromaticContact CE1-CE3 3.72Å; F42-W71 HydrophobicContact CE1-CE3 3.72Å; F42-W71 HydrophobicContact CE1-CZ3 4.1Å; F42-W71 HydrophobicContact CE2-CB 3.69Å; F42-W71 AromaticContact CE2-CD2 3.56Å; F42-W71 HydrophobicContact CE2-CD2 3.56Å; F42-W71 AromaticContact CE2-CE3 3.55Å; F42-W71 HydrophobicContact CE2-CE3 3.55Å; F42-W71 AromaticContact CE2-CG 3.62Å; F42-W71 HydrophobicContact CE2-CG 3.62Å; F42-W71 HydrophobicContact CE2-CZ3 4.44Å; F42-W71 HydrophobicContact CG-CE3 4.44Å; F42-W71 HydrophobicContact CZ-CB 3.93Å; F42-W71 AromaticContact CZ-CD2 3.82Å; F42-W71 HydrophobicContact CZ-CD2 3.82Å; F42-W71 AromaticContact CZ-CE3 3.33Å; F42-W71 HydrophobicContact CZ-CE3 3.33Å; F42-W71 HydrophobicContact CZ-CG 4.09Å; F42-W71 HydrophobicContact CZ-CZ3 4.16Å; F42-L72 HydrophobicContact CE1-CD2 4.32Å; F42-W82 HydrophobicContact CD2-CD2 4.13Å; F42-W82 AromaticContact CD2-CE2 3.63Å; F42-W82 HydrophobicContact CD2-CG 4.47Å; F42-W82 AromaticContact CD2-CZ2 3.96Å; F42-W82 HydrophobicContact CD2-CZ2 3.96Å; F42-W82 AromaticContact CD2-NE1 3.64Å; F42-W82 AromaticContact CE2-NE1 3.96Å; F42-L107 HydrophobicContact CB-CD2 4.09Å; F42-L107 HydrophobicContact CD1-CD2 4.1Å; F42-L107 HydrophobicContact CG-CD2 4.32Å
43Y88.8Confident94.2Very high9 Ų913 Ų134%0.0358%0.075CC..G310 helixtrans-56-32.1-170.159-93.5000112.7L8 C12 F19 T41 V45 M46 W82L8-Y43 HydrophobicContact CD2-CD1 4.23Å; L8-Y43 HydrophobicContact CD2-CE1 3.29Å; L8-Y43 HydrophobicContact CD2-CE2 4.25Å; L8-Y43 WeakPolarHBondContact CD2-OH 3.38Å; C12-Y43 VanDerWaalsContact SG-CD2 3.5Å; F19-Y43 HydrophobicContact CD1-CD2 4.06Å; F19-Y43 HydrophobicContact CD1-CE2 4.3Å; F19-Y43 HydrophobicContact CD2-CD2 4.41Å; F19-Y43 AromaticContact CE1-CD2 3.58Å; F19-Y43 HydrophobicContact CE1-CD2 3.58Å; F19-Y43 AromaticContact CE1-CE2 3.38Å; F19-Y43 HydrophobicContact CE1-CE2 3.38Å; F19-Y43 HydrophobicContact CE2-CD2 4.02Å; F19-Y43 HydrophobicContact CE2-CE2 4.11Å; F19-Y43 HydrophobicContact CG-CD2 4.43Å; F19-Y43 AromaticContact CZ-CD2 3.59Å; F19-Y43 HydrophobicContact CZ-CD2 3.59Å; F19-Y43 AromaticContact CZ-CE2 3.29Å; F19-Y43 HydrophobicContact CZ-CE2 3.29Å; T41-Y43 VanDerWaalsContact CB-CE1 3.44Å; T41-Y43 HydrophobicContact CG2-CE1 3.9Å; T41-Y43 VanDerWaalsContact OG1-CE1 3.29Å; T41-Y43 WeakPolarHBondContact OG1-CE1 3.33Å; Y43-V45 VanDerWaalsContact C-N 3.27Å; Y43-V45 PolarHBondContact O-N 3.21Å; Y43-M46 PolarHBondContact O-N 2.77Å; Y43-W82 HydrophobicContact CD1-CH2 4.14Å; Y43-W82 HydrophobicContact CD1-CZ3 4.04Å
44Q90.1Very high94.2Very high3 Ų317.9 Ų17.91%0.01410%0.096CC..G310 helixtrans-70.3-19.7-17869.2-73.34.900114.4F19 D35 T41 F42 V139 C141F19-Q44 HydrophobicContact CD1-CB 3.89Å; F19-Q44 HydrophobicContact CE1-CB 3.74Å; D35-Q44 WeakPolarHBondContact OD1-CG 3.23Å; D35-Q44 PolarHBondContact OD2-NE2 2.71Å; T41-Q44 PolarHBondContact O-NE2 2.66Å; T41-Q44 PolarHBondContact OG1-NE2 2.87Å; T41-Q44 PolarHBondContact OG1-OE1 3.08Å; F42-Q44 VanDerWaalsContact C-OE1 3.26Å; F42-Q44 PolarHBondContact O-N 2.81Å; Q44-V139 HydrophobicContact CB-CG1 3.99Å; Q44-V139 HydrophobicContact CG-CG1 4.08Å; Q44-C141 HydrophobicContact CB-CB 4.19Å; Q44-C141 WeakPolarHBondContact CB-SG 3.47Å; Q44-C141 HydrophobicContact CG-CB 4.38Å
45V93.8Very high94.2Very high0 Ų017.9 Ų17.90%010%0.096CC..G310 helixtrans-112.1-2.6178.5-63.40000113.5L33 D35 F42 Y43 S47 G48 C49 L55 L57 L107L33-V45 HydrophobicContact CD2-CG1 4.02Å; D35-V45 HydrophobicContact CB-CG1 3.78Å; F42-V45 WeakPolarHBondContact O-CG2 3.05Å; F42-V45 PolarHBondContact O-N 3.17Å; Y43-V45 VanDerWaalsContact C-N 3.27Å; Y43-V45 PolarHBondContact O-N 3.21Å; V45-S47 VanDerWaalsContact C-N 3.3Å; V45-S47 PolarHBondContact O-N 3.22Å; V45-G48 PolarHBondContact O-N 2.97Å; V45-G48 VanDerWaalsContact O-N 3.15Å; V45-C49 PolarHBondContact O-N 3.44Å; V45-L55 HydrophobicContact CB-CD1 4.16Å; V45-L55 HydrophobicContact CB-CD2 4.15Å; V45-L55 HydrophobicContact CG1-CD2 4.03Å; V45-L57 HydrophobicContact CG1-CD2 4.08Å; V45-L57 HydrophobicContact CG2-CD2 4.09Å; V45-L107 HydrophobicContact CG2-CD1 3.89Å
46M93.1Very high94.2Very high0 Ų018.4 Ų18.40%010%0.099CC..THydrogen-bonded Turntrans-62.6-31.1-174.9-75.4-175.8-177.800114.1F42 Y43 C49 W82 L86 V89 K103 L107F42-M46 HydrophobicContact CB-CE 4Å; F42-M46 WeakPolarHBondContact O-CG 3.38Å; F42-M46 PolarHBondContact O-N 2.91Å; Y43-M46 PolarHBondContact O-N 2.77Å; M46-C49 PolarHBondContact O-SG 3.1Å; M46-W82 HydrophobicContact CE-CB 4.47Å; M46-W82 HydrophobicContact CE-CD2 4.26Å; M46-W82 HydrophobicContact CE-CE3 3.57Å; M46-W82 HydrophobicContact CE-CZ3 4.24Å; M46-L86 HydrophobicContact CE-CD2 3.88Å; M46-L86 HydrophobicContact CE-CG 3.89Å; M46-L86 HydrophobicContact CG-CD2 4.25Å; M46-L86 HydrophobicContact SD-CD2 3.83Å; M46-L86 HydrophobicContact SD-CG 4.12Å; M46-V89 HydrophobicContact CB-CB 4.41Å; M46-V89 HydrophobicContact CB-CG1 4.03Å; M46-V89 HydrophobicContact CB-CG2 4.08Å; M46-V89 HydrophobicContact SD-CG2 4.03Å; M46-K103 PolarHBondContact O-NZ 3.22Å; M46-L107 HydrophobicContact CG-CD2 4.29Å
47S91.6Very high94.2Very high5 Ų518.4 Ų18.44%0.03510%0.099CC..THydrogen-bonded Turntrans-90-31.4172.1-67.70000112.4V45 C49 E50 V89 E93V45-S47 VanDerWaalsContact C-N 3.3Å; V45-S47 PolarHBondContact O-N 3.22Å; S47-C49 PolarHBondContact O-N 3.03Å; S47-E50 PolarHBondContact O-N 2.91Å; S47-V89 WeakPolarHBondContact OG-CG1 3.22Å; S47-E93 WeakPolarHBondContact CA-OE1 3.28Å; S47-E93 WeakPolarHBondContact CB-OE1 3.44Å; S47-E93 PolarHBondContact OG-OE1 2.79Å
48G91.9Very high94.3Very high0 Ų017.9 Ų17.90%09%0.094CC..G310 helixtrans-59.9-31.9173.800000113.3V45 E50 V51 F52V45-G48 PolarHBondContact O-N 2.97Å; V45-G48 VanDerWaalsContact O-N 3.15Å; G48-E50 PolarHBondContact O-N 3.15Å; G48-E50 VanDerWaalsContact O-N 3.08Å; G48-V51 PolarHBondContact O-N 3.04Å; G48-F52 WeakPolarHBondContact O-CD2 3.47Å; G48-F52 PolarHBondContact O-N 3.43Å
49C93.9Very high94.3Very high0 Ų018.6 Ų18.60%010%0.097CC..G310 helixtrans-63.8-15.9179.677.40000114.5V45 M46 S47 L55 R106 L107 V110V45-C49 PolarHBondContact O-N 3.44Å; M46-C49 PolarHBondContact O-SG 3.1Å; S47-C49 PolarHBondContact O-N 3.03Å; C49-L55 HydrophobicContact CB-CD1 3.69Å; C49-R106 PolarHBondContact O-NE 3.12Å; C49-R106 PolarHBondContact O-NH2 2.9Å; C49-L107 HydrophobicContact CB-CB 4.32Å; C49-L107 HydrophobicContact CB-CD1 3.76Å; C49-V110 HydrophobicContact CB-CG2 3.68Å
50E92.8Very high94.5Very high63 Ų6324.5 Ų24.529%0.29412%0.121SC..G310 helixtrans-86.9-19.1176.2-57-64.8164.800112.4S47 G48 R95 K103S47-E50 PolarHBondContact O-N 2.91Å; G48-E50 PolarHBondContact O-N 3.15Å; G48-E50 VanDerWaalsContact O-N 3.08Å; E50-R95 VanDerWaalsContact CG-NH2 3.27Å; E50-R95 IonicContact OE1-CZ 2.92Å; E50-R95 IonicContact OE1-NH1 3.29Å; E50-R95 PolarHBondContact OE1-NH1 3.38Å; E50-R95 IonicContact OE1-NH2 3.12Å; E50-R95 PolarHBondContact OE1-NH2 3.09Å; E50-R95 IonicContact OE2-CZ 2.65Å; E50-R95 IonicContact OE2-NH1 3.49Å; E50-R95 PolarHBondContact OE2-NH1 3.12Å; E50-R95 IonicContact OE2-NH2 3.57Å; E50-R95 PolarHBondContact OE2-NH2 3.17Å; E50-K103 VanDerWaalsContact CD-NZ 3.34Å; E50-K103 IonicContact OE1-NZ 2.76Å; E50-K103 PolarHBondContact OE1-NZ 3.43Å
51V93.1Very high94.7Very high41 Ų4127.3 Ų27.325%0.24813%0.134CC..THydrogen-bonded Turntrans-101.4-39.8-177178.10000111.5F23 V28 G48F23-V51 HydrophobicContact CB-CG2 3.88Å; F23-V51 HydrophobicContact CD1-CG2 4.29Å; F23-V51 HydrophobicContact CG-CG2 4.47Å; V28-V51 VanDerWaalsContact O-CG1 3.3Å; V28-V51 WeakPolarHBondContact O-CG1 3.38Å; G48-V51 PolarHBondContact O-N 3.04Å
52F95.6Very high94.9Very high0 Ų031.1 Ų31.10%015%0.151CC..  trans-102.1144.7-175.6-63.6-91000111.4F23 V28 L33 G48 R106 D136 C137F23-F52 HydrophobicContact CD1-CE2 4.06Å; F23-F52 AromaticContact CE1-CE2 3.76Å; F23-F52 HydrophobicContact CE1-CE2 3.76Å; V28-F52 HydrophobicContact CG1-CE2 4.23Å; V28-F52 HydrophobicContact CG1-CZ 3.69Å; L33-F52 HydrophobicContact CB-CB 4.11Å; L33-F52 HydrophobicContact CB-CD1 3.84Å; L33-F52 HydrophobicContact CB-CD2 3.8Å; L33-F52 HydrophobicContact CB-CE1 4.19Å; L33-F52 HydrophobicContact CB-CE2 4.19Å; L33-F52 HydrophobicContact CB-CG 3.62Å; L33-F52 HydrophobicContact CB-CZ 4.36Å; L33-F52 HydrophobicContact CD1-CD2 3.62Å; L33-F52 HydrophobicContact CD1-CE2 3.62Å; L33-F52 HydrophobicContact CD1-CG 4.33Å; L33-F52 HydrophobicContact CD1-CZ 4.28Å; L33-F52 HydrophobicContact CG-CD2 4.37Å; L33-F52 HydrophobicContact CG-CE2 4.48Å; G48-F52 WeakPolarHBondContact O-CD2 3.47Å; G48-F52 PolarHBondContact O-N 3.43Å; F52-R106 PolarHBondContact O-NH2 3.46Å; F52-R106 VanDerWaalsContact O-NH2 3.15Å; F52-D136 HydrophobicContact CE1-CB 4.07Å; F52-C137 HydrophobicContact CE1-CB 3.66Å; F52-C137 HydrophobicContact CE2-CB 4.13Å; F52-C137 HydrophobicContact CZ-CB 3.29Å
53N96.7Very high94.9Very high87 Ų8734.6 Ų34.647%0.46517%0.169SC..SBendtrans-87.3-22177-63.9-45.3000112.6E31 V110E31-N53 PolarHBondContact O-N 2.73Å; E31-N53 WeakPolarHBondContact OE2-CB 3.42Å; E31-N53 PolarHBondContact OE2-ND2 2.89Å; N53-V110 WeakPolarHBondContact O-CB 3.48Å; N53-V110 WeakPolarHBondContact O-CG1 3.33Å
54K98.1Very high95.1Very high103 Ų10335.1 Ų35.145%0.44817%0.172SC..EExtended strand (participates in β ladder)trans-130.4132177.8-63.4-179.4-173.9173.90110.7E31 L32 L33 V110E31-K54 PolarHBondContact O-N 2.71Å; E31-K54 VanDerWaalsContact OE1-CE 3.31Å; E31-K54 WeakPolarHBondContact OE1-CE 3.44Å; E31-K54 IonicContact OE1-NZ 2.71Å; L32-K54 WeakPolarHBondContact CA-O 3.49Å; L32-K54 HydrophobicContact CD1-CB 3.87Å; L33-K54 PolarHBondContact N-O 2.92Å; K54-V110 CarbonylContact C-O 3.56Å; K54-V110 WeakPolarHBondContact CA-O 3.31Å
55L98.4Very high95.4Very high0 Ų036.1 Ų36.10%018%0.176CC..EExtended strand (participates in β ladder)trans-122.1128.6174.6-85.8170.2000109.1L33 V45 C49 L107 V110 V111 S112L33-L55 HydrophobicContact CB-CD2 3.59Å; L33-L55 HydrophobicContact CD1-CD2 4.15Å; L33-L55 HydrophobicContact CD2-CD2 3.22Å; L33-L55 HydrophobicContact CG-CD2 3.79Å; L33-L55 WeakPolarHBondContact O-CA 3.46Å; V45-L55 HydrophobicContact CB-CD1 4.16Å; V45-L55 HydrophobicContact CB-CD2 4.15Å; V45-L55 HydrophobicContact CG1-CD2 4.03Å; C49-L55 HydrophobicContact CB-CD1 3.69Å; L55-L107 HydrophobicContact CD1-CD1 3.84Å; L55-V110 HydrophobicContact CB-CG2 4.41Å; L55-V110 HydrophobicContact CD1-CG2 3.63Å; L55-V110 HydrophobicContact CG-CG2 4.24Å; L55-V110 PolarHBondContact N-O 3.43Å; L55-V111 HydrophobicContact CB-CG2 3.94Å; L55-V111 HydrophobicContact CD1-CG2 4.43Å; L55-V111 CarbonylContact O-C 3.54Å; L55-V111 WeakPolarHBondContact O-CA 3.35Å; L55-S112 PolarHBondContact O-N 3.31Å; L55-S112 PolarHBondContact O-OG 3.47Å
56I98.6Very high95.5Very high12 Ų1241.5 Ų41.56%0.06220%0.196CC..EExtended strand (participates in β ladder)trans-112.2123.8168-68172.6000107.6L32 L33 V34 D35 T58 D113 L115 L130L32-I56 HydrophobicContact CD1-CD1 3.94Å; L32-I56 HydrophobicContact CD1-CG1 4.03Å; L32-I56 HydrophobicContact CD2-CD1 4.49Å; L33-I56 PolarHBondContact O-N 2.95Å; V34-I56 CarbonylContact C-O 3.53Å; V34-I56 WeakPolarHBondContact CA-O 3.47Å; V34-I56 HydrophobicContact CG1-CB 4.29Å; V34-I56 HydrophobicContact CG1-CG2 4.21Å; V34-I56 HydrophobicContact CG2-CB 4.25Å; D35-I56 PolarHBondContact N-O 3.05Å; I56-T58 HydrophobicContact CG2-CG2 3.95Å; I56-D113 HydrophobicContact CG1-CB 4.4Å; I56-L115 HydrophobicContact CG2-CD1 3.69Å; I56-L115 HydrophobicContact CG2-CG 3.99Å; I56-L130 HydrophobicContact CD1-CD2 3.5Å
57L98.7Very high95.5Very high0 Ų042.5 Ų42.50%020%0.201CC..EExtended strand (participates in β ladder)trans-96.8147.6173-52.9-179.3000108.8D35 F42 V45 L68 V111 D113 I114 L115D35-L57 HydrophobicContact CB-CD2 3.84Å; F42-L57 HydrophobicContact CD1-CD1 3.91Å; F42-L57 HydrophobicContact CE1-CD1 3.54Å; V45-L57 HydrophobicContact CG1-CD2 4.08Å; V45-L57 HydrophobicContact CG2-CD2 4.09Å; L57-L68 HydrophobicContact CB-CD1 4.09Å; L57-L68 HydrophobicContact CD1-CD1 4.14Å; L57-L68 HydrophobicContact CD1-CD2 4.34Å; L57-V111 HydrophobicContact CD1-CG1 4.01Å; L57-V111 HydrophobicContact CD1-CG2 4.18Å; L57-V111 HydrophobicContact CG-CG1 4.04Å; L57-V111 HydrophobicContact CG-CG2 4.36Å; L57-D113 PolarHBondContact N-O 2.93Å; L57-D113 VanDerWaalsContact N-O 3.08Å; L57-I114 HydrophobicContact CB-CG1 4.22Å; L57-I114 CarbonylContact O-C 3.45Å; L57-I114 VanDerWaalsContact O-CA 3.3Å; L57-I114 WeakPolarHBondContact O-CA 3.31Å; L57-L115 PolarHBondContact O-N 2.86Å
58T98.7Very high95.6Very high0 Ų042.2 Ų42.20%020%0.199CC..EExtended strand (participates in β ladder)trans-140.7143.2-178.572.40000111.4V34 D35 I36 G37 S38 I56 L115 V117 V125V34-T58 HydrophobicContact CG1-CG2 4.01Å; D35-T58 WeakPolarHBondContact O-CB 3.3Å; D35-T58 PolarHBondContact O-N 3.03Å; D35-T58 VanDerWaalsContact O-N 3.07Å; D35-T58 PolarHBondContact O-OG1 3.36Å; I36-T58 WeakPolarHBondContact CA-OG1 3.26Å; G37-T58 CarbonylContact C-O 3.51Å; G37-T58 WeakPolarHBondContact CA-O 3.37Å; G37-T58 PolarHBondContact N-O 3.32Å; G37-T58 PolarHBondContact N-OG1 3.18Å; S38-T58 WeakPolarHBondContact CB-O 3.49Å; S38-T58 PolarHBondContact N-O 3.45Å; S38-T58 PolarHBondContact OG-N 2.88Å; S38-T58 VanDerWaalsContact OG-N 3.11Å; S38-T58 PolarHBondContact OG-O 3.12Å; I56-T58 HydrophobicContact CG2-CG2 3.95Å; T58-L115 VanDerWaalsContact CA-O 3.27Å; T58-L115 WeakPolarHBondContact CA-O 3.37Å; T58-L115 HydrophobicContact CG2-CB 4.24Å; T58-V117 WeakPolarHBondContact OG1-CG1 3.36Å; T58-V125 HydrophobicContact CG2-CG1 4.45Å
59D98.6Very high95.8Very high15 Ų1546 Ų468%0.0821%0.213CC..EExtended strand (participates in β ladder)trans-151.6153.1169.6-163.4-100.5000110.7G39 L61 N64 R65 L115 P116 V117G39-D59 WeakPolarHBondContact CA-OD2 3.46Å; G39-D59 PolarHBondContact N-OD2 2.92Å; D59-L61 WeakPolarHBondContact OD1-CB 3.34Å; D59-L61 PolarHBondContact OD1-N 3.17Å; D59-N64 HydrophobicContact CB-CB 4.12Å; D59-N64 VanDerWaalsContact OD1-CB 3.27Å; D59-N64 WeakPolarHBondContact OD1-CB 3.49Å; D59-N64 PolarHBondContact OD1-ND2 3.39Å; D59-R65 HydrophobicContact CB-CG 3.92Å; D59-R65 PolarHBondContact O-NH1 2.76Å; D59-L115 PolarHBondContact N-O 3.1Å; D59-P116 WeakPolarHBondContact O-CA 3.49Å; D59-V117 PolarHBondContact O-N 2.83Å
60F97.4Very high95.8Very high133 Ų13349.5 Ų49.558%0.58323%0.226SC*.SBendtrans-70.7-39.2175.9-179.8-99.9000111.8R65 V117 D118F60-R65 PolarHBondContact O-NH1 3.21Å; F60-V117 VanDerWaalsContact CA-O 3.28Å; F60-V117 WeakPolarHBondContact CA-O 3.5Å; F60-V117 WeakPolarHBondContact CB-O 3.23Å; F60-V117 WeakPolarHBondContact CD2-O 3.5Å; F60-D118 HydrophobicContact CD2-CB 4.18Å; F60-D118 HydrophobicContact CE2-CB 4.34Å
61L94.9Very high95.8Very high87 Ų8747.3 Ų47.346%0.45522%0.215SC..  trans-89.3125.1-173.8-59.6175.2000111.7D59 I63 N64 R65D59-L61 WeakPolarHBondContact OD1-CB 3.34Å; D59-L61 PolarHBondContact OD1-N 3.17Å; L61-I63 HydrophobicContact CB-CG2 4.09Å; L61-I63 PolarHBondContact O-N 2.8Å; L61-N64 HydrophobicContact CB-CB 4.44Å; L61-N64 PolarHBondContact O-N 3.06Å; L61-N64 VanDerWaalsContact O-N 3.11Å; L61-R65 PolarHBondContact O-N 3.13Å
62E96.4Very high95.8Very high94 Ų9447.1 Ų47.144%0.43921%0.213SC..Hα-helixtrans-59.3-31.1176.2-179.355.7-153.300112.5N64 R65 R66 R69E62-N64 VanDerWaalsContact C-N 3.33Å; E62-N64 PolarHBondContact O-N 2.92Å; E62-R65 PolarHBondContact O-N 2.97Å; E62-R65 IonicContact OE2-CZ 3.67Å; E62-R65 IonicContact OE2-NE 2.87Å; E62-R65 PolarHBondContact OE2-NE 2.9Å; E62-R65 IonicContact OE2-NH2 3.18Å; E62-R65 PolarHBondContact OE2-NH2 2.92Å; E62-R66 WeakPolarHBondContact O-CB 3.05Å; E62-R66 PolarHBondContact O-N 2.65Å; E62-R69 IonicContact OE1-CZ 2.77Å; E62-R69 IonicContact OE1-NH1 3.88Å; E62-R69 PolarHBondContact OE1-NH1 2.89Å; E62-R69 IonicContact OE2-NH1 3.56Å
63I92.3Very high95.6Very high75 Ų7552.9 Ų52.939%0.38524%0.24SC..Hα-helixtrans-63.1-39.5178-165.2169.2000112.1M1 L61 R66 E67M1-I63 HydrophobicContact CE-CD1 3.57Å; M1-I63 HydrophobicContact CE-CG1 3.84Å; M1-I63 HydrophobicContact CE-CG2 4.41Å; L61-I63 HydrophobicContact CB-CG2 4.09Å; L61-I63 PolarHBondContact O-N 2.8Å; I63-R66 PolarHBondContact O-N 2.86Å; I63-E67 WeakPolarHBondContact O-CG 3.26Å; I63-E67 PolarHBondContact O-N 2.8Å; I63-E67 VanDerWaalsContact O-N 3.16Å
64N93.5Very high95Very high19 Ų1954.3 Ų54.310%0.10225%0.247CC..Hα-helixtrans-68.2-46.9176.8-72.2-16.5000110.4D59 L61 E62 R66 E67 L68D59-N64 HydrophobicContact CB-CB 4.12Å; D59-N64 VanDerWaalsContact OD1-CB 3.27Å; D59-N64 WeakPolarHBondContact OD1-CB 3.49Å; D59-N64 PolarHBondContact OD1-ND2 3.39Å; L61-N64 HydrophobicContact CB-CB 4.44Å; L61-N64 PolarHBondContact O-N 3.06Å; L61-N64 VanDerWaalsContact O-N 3.11Å; E62-N64 VanDerWaalsContact C-N 3.33Å; E62-N64 PolarHBondContact O-N 2.92Å; N64-R66 VanDerWaalsContact C-N 3.25Å; N64-R66 PolarHBondContact O-N 2.78Å; N64-E67 WeakPolarHBondContact O-CB 3.13Å; N64-E67 PolarHBondContact O-N 2.8Å; N64-L68 PolarHBondContact O-N 2.84Å
65R96.6Very high93.9Very high25 Ų2554 Ų549%0.09425%0.247CC..Hα-helixtrans-57.3-39176.3-62.5-168.2-62.2-95.97.4112.2D59 F60 L61 E62 L68 R69 I114 L115D59-R65 HydrophobicContact CB-CG 3.92Å; D59-R65 PolarHBondContact O-NH1 2.76Å; F60-R65 PolarHBondContact O-NH1 3.21Å; L61-R65 PolarHBondContact O-N 3.13Å; E62-R65 PolarHBondContact O-N 2.97Å; E62-R65 IonicContact OE2-CZ 3.67Å; E62-R65 IonicContact OE2-NE 2.87Å; E62-R65 PolarHBondContact OE2-NE 2.9Å; E62-R65 IonicContact OE2-NH2 3.18Å; E62-R65 PolarHBondContact OE2-NH2 2.92Å; R65-L68 PolarHBondContact O-N 3.26Å; R65-R69 WeakPolarHBondContact O-CG 3.2Å; R65-R69 PolarHBondContact O-N 2.94Å; R65-I114 HydrophobicContact CB-CG2 3.73Å; R65-I114 HydrophobicContact CG-CG2 3.81Å; R65-L115 WeakPolarHBondContact CD-O 3.17Å
66R94.6Very high92.4Very high113 Ų11357.7 Ų57.743%0.42629%0.286SS..Hα-helixtrans-65.2-40.6175.2-173.5177.766.3-174.9-0.1112.4E62 I63 N64 L68 R69 R70E62-R66 WeakPolarHBondContact O-CB 3.05Å; E62-R66 PolarHBondContact O-N 2.65Å; I63-R66 PolarHBondContact O-N 2.86Å; N64-R66 VanDerWaalsContact C-N 3.25Å; N64-R66 PolarHBondContact O-N 2.78Å; R66-L68 VanDerWaalsContact C-N 3.33Å; R66-R69 PolarHBondContact O-N 3.48Å; R66-R70 WeakPolarHBondContact O-CG 3.03Å; R66-R70 PolarHBondContact O-N 3.04Å
67E93Very high90.9Very high20 Ų2060.3 Ų60.39%0.09332%0.316CS..Hα-helixtrans-63.1-40.4174.9-68-60.1120.200111.7M1 P40 I63 N64 R70 W71 S79M1-E67 HydrophobicContact SD-CG 4.45Å; P40-E67 HydrophobicContact CB-CB 4.03Å; P40-E67 HydrophobicContact CB-CG 4.49Å; I63-E67 WeakPolarHBondContact O-CG 3.26Å; I63-E67 PolarHBondContact O-N 2.8Å; I63-E67 VanDerWaalsContact O-N 3.16Å; N64-E67 WeakPolarHBondContact O-CB 3.13Å; N64-E67 PolarHBondContact O-N 2.8Å; E67-R70 PolarHBondContact O-N 2.97Å; E67-R70 IonicContact OE1-CZ 3.55Å; E67-R70 IonicContact OE1-NH1 2.73Å; E67-R70 PolarHBondContact OE1-NH1 2.99Å; E67-W71 PolarHBondContact O-N 2.85Å; E67-S79 PolarHBondContact OE2-OG 2.95Å
68L94.8Very high89.6Confident0 Ų062.3 Ų62.30%033%0.329CS..Hα-helixtrans-61-47.2173.9-63.5175.3000111.5G39 F42 L57 N64 R65 R66 R70 W71 L72 I114G39-L68 WeakPolarHBondContact O-CD1 3.38Å; F42-L68 HydrophobicContact CD1-CD2 4.23Å; F42-L68 HydrophobicContact CD2-CD2 4.24Å; F42-L68 HydrophobicContact CE1-CD2 3.7Å; F42-L68 HydrophobicContact CE2-CD2 3.69Å; F42-L68 HydrophobicContact CG-CD2 4.48Å; F42-L68 HydrophobicContact CZ-CB 4.05Å; F42-L68 HydrophobicContact CZ-CD2 3.4Å; F42-L68 HydrophobicContact CZ-CG 4.34Å; L57-L68 HydrophobicContact CB-CD1 4.09Å; L57-L68 HydrophobicContact CD1-CD1 4.14Å; L57-L68 HydrophobicContact CD1-CD2 4.34Å; N64-L68 PolarHBondContact O-N 2.84Å; R65-L68 PolarHBondContact O-N 3.26Å; R66-L68 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 2.98Å; L68-W71 PolarHBondContact O-N 3.24Å; L68-L72 WeakPolarHBondContact O-CG 3.39Å; L68-L72 PolarHBondContact O-N 2.82Å; L68-I114 HydrophobicContact CB-CD1 3.56Å; L68-I114 HydrophobicContact CB-CG1 4.46Å; L68-I114 HydrophobicContact CD1-CG2 4.1Å
69R95.6Very high88.2Confident79 Ų7965.9 Ų65.930%0.29835%0.354SS..Hα-helixtrans-59.7-44.2178.8-72.1-179-160.3116.40.6112.4E62 R65 R66 W71 L72 Q73 I114E62-R69 IonicContact OE1-CZ 2.77Å; E62-R69 IonicContact OE1-NH1 3.88Å; E62-R69 PolarHBondContact OE1-NH1 2.89Å; E62-R69 IonicContact OE2-NH1 3.56Å; R65-R69 WeakPolarHBondContact O-CG 3.2Å; R65-R69 PolarHBondContact O-N 2.94Å; R66-R69 PolarHBondContact O-N 3.48Å; R69-W71 VanDerWaalsContact C-N 3.31Å; R69-W71 PolarHBondContact O-N 2.76Å; R69-L72 PolarHBondContact O-N 3.29Å; R69-Q73 WeakPolarHBondContact O-CB 3.45Å; R69-Q73 WeakPolarHBondContact O-CG 3.31Å; R69-Q73 PolarHBondContact O-N 3.41Å; R69-Q73 PolarHBondContact O-OE1 3.27Å; R69-I114 HydrophobicContact CB-CD1 4.3Å; R69-I114 HydrophobicContact CG-CD1 3.47Å; R69-I114 VanDerWaalsContact CG-CD1 3.47Å; R69-I114 PolarHBondContact NH2-O 3.36Å
70R93.4Very high87.4Confident73 Ų7366.2 Ų66.228%0.27536%0.356SS..Hα-helixtrans-56.6-45.5177.1-75.1176.3-177.8169.45.1111.9R66 E67 L68 Q73 D74 E75R66-R70 WeakPolarHBondContact O-CG 3.03Å; R66-R70 PolarHBondContact O-N 3.04Å; E67-R70 PolarHBondContact O-N 2.97Å; E67-R70 IonicContact OE1-CZ 3.55Å; E67-R70 IonicContact OE1-NH1 2.73Å; E67-R70 PolarHBondContact OE1-NH1 2.99Å; L68-R70 PolarHBondContact O-N 2.98Å; R70-Q73 PolarHBondContact O-N 3.07Å; R70-D74 PolarHBondContact O-N 2.64Å; R70-E75 HydrophobicContact CB-CB 4.45Å; R70-E75 PolarHBondContact O-N 3Å
71W94.1Very high86.9Confident18 Ų1864.5 Ų64.57%0.06835%0.353CS..Hα-helixtrans-66.5-38.1179-175.583.9000112.9F42 E67 L68 R69 D74 C78 W82 L86 A104 L107 R108F42-W71 HydrophobicContact CD1-CE3 4.27Å; F42-W71 HydrophobicContact CD1-CZ3 4.34Å; F42-W71 HydrophobicContact CD2-CD2 4.09Å; F42-W71 HydrophobicContact CD2-CE3 4.1Å; F42-W71 HydrophobicContact CD2-CG 4.39Å; F42-W71 AromaticContact CE1-CE3 3.72Å; F42-W71 HydrophobicContact CE1-CE3 3.72Å; F42-W71 HydrophobicContact CE1-CZ3 4.1Å; F42-W71 HydrophobicContact CE2-CB 3.69Å; F42-W71 AromaticContact CE2-CD2 3.56Å; F42-W71 HydrophobicContact CE2-CD2 3.56Å; F42-W71 AromaticContact CE2-CE3 3.55Å; F42-W71 HydrophobicContact CE2-CE3 3.55Å; F42-W71 AromaticContact CE2-CG 3.62Å; F42-W71 HydrophobicContact CE2-CG 3.62Å; F42-W71 HydrophobicContact CE2-CZ3 4.44Å; F42-W71 HydrophobicContact CG-CE3 4.44Å; F42-W71 HydrophobicContact CZ-CB 3.93Å; F42-W71 AromaticContact CZ-CD2 3.82Å; F42-W71 HydrophobicContact CZ-CD2 3.82Å; F42-W71 AromaticContact CZ-CE3 3.33Å; F42-W71 HydrophobicContact CZ-CE3 3.33Å; F42-W71 HydrophobicContact CZ-CG 4.09Å; F42-W71 HydrophobicContact CZ-CZ3 4.16Å; E67-W71 PolarHBondContact O-N 2.85Å; L68-W71 PolarHBondContact O-N 3.24Å; R69-W71 VanDerWaalsContact C-N 3.31Å; R69-W71 PolarHBondContact O-N 2.76Å; W71-D74 PolarHBondContact O-N 3.21Å; W71-C78 WeakPolarHBondContact CA-SG 3.34Å; W71-W82 AromaticContact CD1-CD1 3.43Å; W71-W82 VanDerWaalsContact CD1-CD1 3.43Å; W71-W82 AromaticContact NE1-CD1 3.41Å; W71-W82 AromaticContact NE1-CG 3.94Å; W71-L86 HydrophobicContact CZ2-CD1 4.39Å; W71-A104 HydrophobicContact CH2-CB 4.46Å; W71-A104 HydrophobicContact CZ2-CB 4.34Å; W71-L107 HydrophobicContact CH2-CB 4.42Å; W71-L107 HydrophobicContact CH2-CD2 3.8Å; W71-L107 HydrophobicContact CH2-CG 4.25Å; W71-L107 HydrophobicContact CZ3-CD2 3.94Å; W71-L107 HydrophobicContact CZ3-CG 4.16Å; W71-R108 HydrophobicContact CE3-CG 4.31Å; W71-R108 HydrophobicContact CH2-CG 3.94Å; W71-R108 HydrophobicContact CZ3-CG 3.62Å; W71-R108 PolarHBondContact O-NE 3.26Å; W71-R108 VanDerWaalsContact O-NE 3.15Å; W71-R108 PolarHBondContact O-NH2 2.98Å
72L92.9Very high86.6Confident37 Ų3760.9 Ų60.919%0.19433%0.333CS..Hα-helixtrans-65.8-37.7176.1-69.5177.5000112.6F42 L68 R69 D74 R108 V111 I114F42-L72 HydrophobicContact CE1-CD2 4.32Å; L68-L72 WeakPolarHBondContact O-CG 3.39Å; L68-L72 PolarHBondContact O-N 2.82Å; R69-L72 PolarHBondContact O-N 3.29Å; L72-D74 PolarHBondContact O-N 3.42Å; L72-R108 HydrophobicContact CD2-CB 4.4Å; L72-R108 HydrophobicContact CD2-CG 4.06Å; L72-V111 HydrophobicContact CD1-CB 4.19Å; L72-V111 HydrophobicContact CD1-CG1 3.57Å; L72-V111 HydrophobicContact CD2-CB 3.97Å; L72-V111 HydrophobicContact CD2-CG1 4.21Å; L72-V111 HydrophobicContact CD2-CG2 4.23Å; L72-I114 HydrophobicContact CD1-CD1 3.41Å; L72-I114 VanDerWaalsContact CD1-CD1 3.41Å; L72-I114 HydrophobicContact CD1-CG1 4.12Å; L72-I114 HydrophobicContact CG-CD1 4.48Å
73Q90.1Very high86.4Confident121 Ų12158 Ų5857%0.56532%0.322SS*.THydrogen-bonded Turntrans-80.4-0.5179.9-69.3171-37.300113.3R69 R70 E75R69-Q73 WeakPolarHBondContact O-CB 3.45Å; R69-Q73 WeakPolarHBondContact O-CG 3.31Å; R69-Q73 PolarHBondContact O-N 3.41Å; R69-Q73 PolarHBondContact O-OE1 3.27Å; R70-Q73 PolarHBondContact O-N 3.07Å; Q73-E75 HydrophobicContact CB-CG 3.77Å; Q73-E75 PolarHBondContact O-N 2.86Å; Q73-E75 VanDerWaalsContact O-N 3.16Å; Q73-E75 PolarHBondContact OE1-OE1 3.4Å
74D83.5Confident86.2Confident116 Ų11657.7 Ų57.762%0.6233%0.325SS*.THydrogen-bonded Turntrans52.830.5-172.4-151.243.9000112.2R70 W71 L72 G76 R108R70-D74 PolarHBondContact O-N 2.64Å; W71-D74 PolarHBondContact O-N 3.21Å; L72-D74 PolarHBondContact O-N 3.42Å; D74-G76 PolarHBondContact O-N 3.22Å; D74-R108 IonicContact OD1-CZ 2.83Å; D74-R108 IonicContact OD1-NH1 2.86Å; D74-R108 IonicContact OD1-NH2 3.2Å; D74-R108 PolarHBondContact OD1-NH2 3.45Å
75E76.3Confident85.9Confident97 Ų9757.5 Ų57.545%0.45332%0.322SS..  trans-70.5113.9173-69.4-178175.900107.3R70 Q73R70-E75 HydrophobicContact CB-CB 4.45Å; R70-E75 PolarHBondContact O-N 3Å; Q73-E75 HydrophobicContact CB-CG 3.77Å; Q73-E75 PolarHBondContact O-N 2.86Å; Q73-E75 VanDerWaalsContact O-N 3.16Å; Q73-E75 PolarHBondContact OE1-OE1 3.4Å
76G66.3Low85.7Confident78 Ų7856.4 Ų56.480%0.80432%0.319SS*.SBendtrans-49.9151.8173.400000111.6D74D74-G76 PolarHBondContact O-N 3.22Å
77G66.4Low85.5Confident67 Ų6754.1 Ų54.169%0.69131%0.313SS*.  trans92.717.8-177.700000115
78C71.6Confident85.2Confident41 Ų4155.6 Ų55.628%0.27732%0.319SS..  trans-56.4136162.6-70.20000110.5W71 L80W71-C78 WeakPolarHBondContact CA-SG 3.34Å; C78-L80 VanDerWaalsContact C-N 3.25Å; C78-L80 PolarHBondContact O-N 3.14Å
79S70.8Confident84.9Confident75 Ų7555.8 Ų55.852%0.52432%0.321SS..SBendtrans-68.7-21.7-176.850.50000114.1E67E67-S79 PolarHBondContact OE2-OG 2.95Å
80L81.8Confident84.7Confident23 Ų2352 Ų5212%0.1231%0.307CS..SBendtrans-128.2133.9179.7-174.460.5000112.1C5 C78 W82 Y85C5-L80 WeakPolarHBondContact SG-CD1 3.36Å; C5-L80 WeakPolarHBondContact SG-CD2 3.34Å; C78-L80 VanDerWaalsContact C-N 3.25Å; C78-L80 PolarHBondContact O-N 3.14Å; L80-W82 HydrophobicContact CD2-CD2 4.11Å; L80-W82 HydrophobicContact CD2-CE3 4.24Å; L80-W82 HydrophobicContact CD2-CH2 3.7Å; L80-W82 HydrophobicContact CD2-CZ2 3.55Å; L80-W82 HydrophobicContact CD2-CZ3 4.06Å; L80-W82 PolarHBondContact O-N 3.36Å; L80-Y85 HydrophobicContact CD2-CE2 4.3Å
81D86Confident84.5Confident97 Ų9754.5 Ų54.552%0.51932%0.319SS..  trans-78112164.317916.8000110.4T83D81-T83 WeakPolarHBondContact OD1-CB 3.3Å; D81-T83 PolarHBondContact OD1-N 3.4Å; D81-T83 PolarHBondContact OD1-OG1 2.91Å
82W89.6Confident84.1Confident11 Ų1156.3 Ų56.34%0.04233%0.33CS..  trans-84.4-7.6179.1-71.7100.4000113.8P40 T41 F42 Y43 M46 W71 L80 Y85 L86P40-W82 WeakPolarHBondContact O-CZ2 3.33Å; T41-W82 HydrophobicContact CG2-CH2 4.04Å; T41-W82 HydrophobicContact CG2-CZ2 4.44Å; F42-W82 HydrophobicContact CD2-CD2 4.13Å; F42-W82 AromaticContact CD2-CE2 3.63Å; F42-W82 HydrophobicContact CD2-CG 4.47Å; F42-W82 AromaticContact CD2-CZ2 3.96Å; F42-W82 HydrophobicContact CD2-CZ2 3.96Å; F42-W82 AromaticContact CD2-NE1 3.64Å; F42-W82 AromaticContact CE2-NE1 3.96Å; Y43-W82 HydrophobicContact CD1-CH2 4.14Å; Y43-W82 HydrophobicContact CD1-CZ3 4.04Å; M46-W82 HydrophobicContact CE-CB 4.47Å; M46-W82 HydrophobicContact CE-CD2 4.26Å; M46-W82 HydrophobicContact CE-CE3 3.57Å; M46-W82 HydrophobicContact CE-CZ3 4.24Å; W71-W82 AromaticContact CD1-CD1 3.43Å; W71-W82 VanDerWaalsContact CD1-CD1 3.43Å; W71-W82 AromaticContact NE1-CD1 3.41Å; W71-W82 AromaticContact NE1-CG 3.94Å; L80-W82 HydrophobicContact CD2-CD2 4.11Å; L80-W82 HydrophobicContact CD2-CE3 4.24Å; L80-W82 HydrophobicContact CD2-CH2 3.7Å; L80-W82 HydrophobicContact CD2-CZ2 3.55Å; L80-W82 HydrophobicContact CD2-CZ3 4.06Å; L80-W82 PolarHBondContact O-N 3.36Å; W82-Y85 AromaticContact CE3-CD2 3.98Å; W82-Y85 HydrophobicContact CE3-CD2 3.98Å; W82-Y85 HydrophobicContact CE3-CE2 4.42Å; W82-Y85 HydrophobicContact CE3-CG 4.08Å; W82-Y85 HydrophobicContact CZ3-CD1 4.41Å; W82-Y85 HydrophobicContact CZ3-CD2 4.35Å; W82-Y85 HydrophobicContact CZ3-CE1 4.49Å; W82-Y85 HydrophobicContact CZ3-CE2 4.47Å; W82-Y85 HydrophobicContact CZ3-CG 4.31Å; W82-Y85 WeakPolarHBondContact O-CB 3.14Å; W82-Y85 PolarHBondContact O-N 3.03Å; W82-Y85 VanDerWaalsContact O-N 3.11Å; W82-L86 HydrophobicContact CB-CD1 4.19Å; W82-L86 PolarHBondContact O-N 3.22Å; W82-L86 VanDerWaalsContact O-N 3.08Å
83T90.6Very high83.9Confident33 Ų3356.3 Ų56.320%0.20233%0.329CS..Hα-helixtrans-52.9-48.6-176.1-51.80000113D81 Y85 L86 E87 W100D81-T83 WeakPolarHBondContact OD1-CB 3.3Å; D81-T83 PolarHBondContact OD1-N 3.4Å; D81-T83 PolarHBondContact OD1-OG1 2.91Å; T83-Y85 VanDerWaalsContact C-N 3.26Å; T83-Y85 PolarHBondContact O-N 3.1Å; T83-L86 PolarHBondContact O-N 2.83Å; T83-E87 HydrophobicContact CG2-CG 4.28Å; T83-E87 WeakPolarHBondContact O-CG 3.41Å; T83-E87 PolarHBondContact O-N 2.9Å; T83-W100 HydrophobicContact CG2-CD2 3.81Å; T83-W100 HydrophobicContact CG2-CE3 4.23Å; T83-W100 HydrophobicContact CG2-CG 4.25Å; T83-W100 HydrophobicContact CG2-CH2 4.31Å; T83-W100 HydrophobicContact CG2-CZ2 3.88Å; T83-W100 HydrophobicContact CG2-CZ3 4.47Å
84P89.1Confident83.8Confident69 Ų6954 Ų5445%0.44834%0.337SS..Hα-helixtrans-62.2-32.4-178.6-23.135.4000113.6H88P84-H88 VanDerWaalsContact O-CB 3.27Å; P84-H88 WeakPolarHBondContact O-CB 3.47Å; P84-H88 PolarHBondContact O-N 2.92Å; P84-H88 VanDerWaalsContact O-N 3.08Å
85Y87.2Confident84.2Confident14 Ų1452.7 Ų52.76%0.05532%0.324CS..Hα-helixtrans-72.8-44178-65.8-101000111.2K9 C12 L80 W82 T83 H88 V89K9-Y85 VanDerWaalsContact CA-OH 3.22Å; K9-Y85 WeakPolarHBondContact CA-OH 3.47Å; K9-Y85 HydrophobicContact CG-CE2 4.15Å; K9-Y85 WeakPolarHBondContact CG-OH 3.2Å; K9-Y85 PolarHBondContact N-OH 2.7Å; C12-Y85 HydrophobicContact CB-CD1 3.88Å; C12-Y85 HydrophobicContact CB-CE1 3.5Å; C12-Y85 VanDerWaalsContact CB-CE1 3.5Å; L80-Y85 HydrophobicContact CD2-CE2 4.3Å; W82-Y85 AromaticContact CE3-CD2 3.98Å; W82-Y85 HydrophobicContact CE3-CD2 3.98Å; W82-Y85 HydrophobicContact CE3-CE2 4.42Å; W82-Y85 HydrophobicContact CE3-CG 4.08Å; W82-Y85 HydrophobicContact CZ3-CD1 4.41Å; W82-Y85 HydrophobicContact CZ3-CD2 4.35Å; W82-Y85 HydrophobicContact CZ3-CE1 4.49Å; W82-Y85 HydrophobicContact CZ3-CE2 4.47Å; W82-Y85 HydrophobicContact CZ3-CG 4.31Å; W82-Y85 WeakPolarHBondContact O-CB 3.14Å; W82-Y85 PolarHBondContact O-N 3.03Å; W82-Y85 VanDerWaalsContact O-N 3.11Å; T83-Y85 VanDerWaalsContact C-N 3.26Å; T83-Y85 PolarHBondContact O-N 3.1Å; Y85-H88 PolarHBondContact O-N 2.78Å; Y85-V89 WeakPolarHBondContact O-CB 3.47Å; Y85-V89 VanDerWaalsContact O-CG2 3.32Å; Y85-V89 WeakPolarHBondContact O-CG2 3.49Å; Y85-V89 PolarHBondContact O-N 2.93Å
86L91.1Very high85.1Confident3 Ų357.7 Ų57.72%0.01634%0.339CS..Hα-helixtrans-62.6-44.9177-69159.9000110.9M46 W71 W82 T83 H88 V89 C90 W100 K103 A104M46-L86 HydrophobicContact CE-CD2 3.88Å; M46-L86 HydrophobicContact CE-CG 3.89Å; M46-L86 HydrophobicContact CG-CD2 4.25Å; M46-L86 HydrophobicContact SD-CD2 3.83Å; M46-L86 HydrophobicContact SD-CG 4.12Å; W71-L86 HydrophobicContact CZ2-CD1 4.39Å; W82-L86 HydrophobicContact CB-CD1 4.19Å; W82-L86 PolarHBondContact O-N 3.22Å; W82-L86 VanDerWaalsContact O-N 3.08Å; T83-L86 PolarHBondContact O-N 2.83Å; L86-H88 VanDerWaalsContact C-N 3.3Å; L86-H88 PolarHBondContact O-N 2.77Å; L86-V89 PolarHBondContact O-N 2.84Å; L86-C90 WeakPolarHBondContact O-CB 3.5Å; L86-C90 PolarHBondContact O-N 2.98Å; L86-C90 PolarHBondContact O-SG 3.48Å; L86-W100 HydrophobicContact CB-CB 3.82Å; L86-W100 HydrophobicContact CD1-CE3 4.12Å; L86-K103 HydrophobicContact CD2-CD 4.17Å; L86-K103 HydrophobicContact CD2-CG 3.87Å; L86-A104 HydrophobicContact CD1-CB 3.89Å; L86-A104 HydrophobicContact CD2-CB 4.48Å
87E91.3Very high86.3Confident64 Ų6456 Ų5630%0.29931%0.314SS..Hα-helixtrans-58.8-42.7174.7-74.7-171.8151.800112.3T83 K91 W100T83-E87 HydrophobicContact CG2-CG 4.28Å; T83-E87 WeakPolarHBondContact O-CG 3.41Å; T83-E87 PolarHBondContact O-N 2.9Å; E87-K91 WeakPolarHBondContact O-CG 3.42Å; E87-K91 PolarHBondContact O-N 2.79Å; E87-K91 VanDerWaalsContact O-N 3.17Å; E87-W100 HydrophobicContact CG-CB 3.83Å; E87-W100 VanDerWaalsContact CG-CD1 3.46Å; E87-W100 HydrophobicContact CG-CG 3.79Å
88H87.4Confident87.6Confident51 Ų5156.7 Ų56.724%0.23631%0.309CS..Hα-helixtrans-67.6-46.1179.4-173.179.3000112C13 T16 P84 Y85 L86 C90 K91 L92C13-H88 PolarHBondContact O-NE2 3.36Å; T16-H88 PolarHBondContact OG1-CD2 2.85Å; T16-H88 VanDerWaalsContact OG1-CD2 3.27Å; T16-H88 PolarHBondContact OG1-NE2 2.89Å; P84-H88 VanDerWaalsContact O-CB 3.27Å; P84-H88 WeakPolarHBondContact O-CB 3.47Å; P84-H88 PolarHBondContact O-N 2.92Å; P84-H88 VanDerWaalsContact O-N 3.08Å; Y85-H88 PolarHBondContact O-N 2.78Å; L86-H88 VanDerWaalsContact C-N 3.3Å; L86-H88 PolarHBondContact O-N 2.77Å; H88-C90 VanDerWaalsContact C-N 3.32Å; H88-C90 PolarHBondContact O-N 2.97Å; H88-K91 WeakPolarHBondContact O-CB 3.31Å; H88-K91 PolarHBondContact O-N 2.9Å; H88-K91 VanDerWaalsContact O-N 3.12Å; H88-L92 WeakPolarHBondContact O-CG 3.44Å; H88-L92 PolarHBondContact O-N 2.85Å; H88-L92 VanDerWaalsContact O-N 3.09Å
89V88.2Confident88.8Confident5 Ų555.3 Ų55.33%0.0330%0.3CS..Hα-helixtrans-61.7-40.5175.7172.60000111T16 M46 S47 Y85 L86 K91 L92 E93 K103T16-V89 HydrophobicContact CG2-CG2 4.42Å; M46-V89 HydrophobicContact CB-CB 4.41Å; M46-V89 HydrophobicContact CB-CG1 4.03Å; M46-V89 HydrophobicContact CB-CG2 4.08Å; M46-V89 HydrophobicContact SD-CG2 4.03Å; S47-V89 WeakPolarHBondContact OG-CG1 3.22Å; Y85-V89 WeakPolarHBondContact O-CB 3.47Å; Y85-V89 VanDerWaalsContact O-CG2 3.32Å; Y85-V89 WeakPolarHBondContact O-CG2 3.49Å; Y85-V89 PolarHBondContact O-N 2.93Å; L86-V89 PolarHBondContact O-N 2.84Å; V89-K91 VanDerWaalsContact C-N 3.31Å; V89-K91 PolarHBondContact O-N 2.98Å; V89-L92 PolarHBondContact O-N 3.5Å; V89-E93 HydrophobicContact CG1-CG 4.31Å; V89-E93 WeakPolarHBondContact CG1-OE1 3.35Å; V89-E93 WeakPolarHBondContact O-CG 3.24Å; V89-E93 PolarHBondContact O-N 3.41Å; V89-K103 HydrophobicContact CB-CD 4.43Å; V89-K103 HydrophobicContact CG1-CD 3.98Å
90C90.9Very high89.9Confident0 Ų055.5 Ų55.50%029%0.29CS..Hα-helixtrans-56.4-43.9173-77.40000112.2L86 H88 L92 E93 G94 R95L86-C90 WeakPolarHBondContact O-CB 3.5Å; L86-C90 PolarHBondContact O-N 2.98Å; L86-C90 PolarHBondContact O-SG 3.48Å; H88-C90 VanDerWaalsContact C-N 3.32Å; H88-C90 PolarHBondContact O-N 2.97Å; C90-L92 VanDerWaalsContact C-N 3.35Å; C90-L92 PolarHBondContact O-N 3.06Å; C90-E93 PolarHBondContact O-N 2.92Å; C90-G94 PolarHBondContact O-N 2.86Å; C90-R95 HydrophobicContact CB-CB 4.25Å; C90-R95 CarbonylContact O-C 3.55Å; C90-R95 WeakPolarHBondContact O-CA 3.08Å; C90-R95 VanDerWaalsContact O-CB 3.32Å; C90-R95 WeakPolarHBondContact O-CB 3.14Å; C90-R95 PolarHBondContact O-N 3.15Å
91K89.8Confident90.6Very high124 Ų12456.7 Ų56.754%0.53930%0.299SS..Hα-helixtrans-62.4-41.7177.1-68.7173.2-170.4175.20112E87 H88 V89 E93 G94E87-K91 WeakPolarHBondContact O-CG 3.42Å; E87-K91 PolarHBondContact O-N 2.79Å; E87-K91 VanDerWaalsContact O-N 3.17Å; H88-K91 WeakPolarHBondContact O-CB 3.31Å; H88-K91 PolarHBondContact O-N 2.9Å; H88-K91 VanDerWaalsContact O-N 3.12Å; V89-K91 VanDerWaalsContact C-N 3.31Å; V89-K91 PolarHBondContact O-N 2.98Å; K91-E93 VanDerWaalsContact C-N 3.32Å; K91-G94 PolarHBondContact O-N 3.27Å; K91-G94 VanDerWaalsContact O-N 3.09Å
92L86.1Confident91.1Very high57 Ų5758.8 Ų58.830%0.29831%0.305SS..Hα-helixtrans-65.5-37.2178.8-67.5172.6000112.4T16 F20 H88 V89 C90 G94T16-L92 HydrophobicContact CG2-CD1 4.12Å; T16-L92 WeakPolarHBondContact OG1-CD1 3.39Å; F20-L92 HydrophobicContact CB-CB 4.47Å; F20-L92 HydrophobicContact CD1-CB 4.21Å; F20-L92 HydrophobicContact CD2-CB 4.44Å; F20-L92 VanDerWaalsContact CE1-O 3.3Å; F20-L92 WeakPolarHBondContact CE1-O 3.39Å; F20-L92 HydrophobicContact CG-CB 4.09Å; F20-L92 WeakPolarHBondContact CZ-O 3.33Å; H88-L92 WeakPolarHBondContact O-CG 3.44Å; H88-L92 PolarHBondContact O-N 2.85Å; H88-L92 VanDerWaalsContact O-N 3.09Å; V89-L92 PolarHBondContact O-N 3.5Å; C90-L92 VanDerWaalsContact C-N 3.35Å; C90-L92 PolarHBondContact O-N 3.06Å; L92-G94 PolarHBondContact O-N 2.8Å; L92-G94 VanDerWaalsContact O-N 3.12Å
93E87Confident91.4Very high36 Ų3658.2 Ų58.217%0.16830%0.303CS..THydrogen-bonded Turntrans-72.86.5173.4-69.2173.9-171.600113.6F20 S47 V89 C90 K91 R95 K103F20-E93 HydrophobicContact CD2-CG 3.62Å; F20-E93 HydrophobicContact CE2-CB 4.04Å; F20-E93 HydrophobicContact CE2-CG 3.44Å; F20-E93 VanDerWaalsContact CE2-CG 3.44Å; S47-E93 WeakPolarHBondContact CA-OE1 3.28Å; S47-E93 WeakPolarHBondContact CB-OE1 3.44Å; S47-E93 PolarHBondContact OG-OE1 2.79Å; V89-E93 HydrophobicContact CG1-CG 4.31Å; V89-E93 WeakPolarHBondContact CG1-OE1 3.35Å; V89-E93 WeakPolarHBondContact O-CG 3.24Å; V89-E93 PolarHBondContact O-N 3.41Å; C90-E93 PolarHBondContact O-N 2.92Å; K91-E93 VanDerWaalsContact C-N 3.32Å; E93-R95 HydrophobicContact CB-CG 4.23Å; E93-R95 PolarHBondContact O-N 3.08Å; E93-R95 IonicContact OE2-CZ 2.66Å; E93-R95 IonicContact OE2-NE 3.9Å; E93-R95 PolarHBondContact OE2-NE 3.29Å; E93-R95 IonicContact OE2-NH1 3.42Å; E93-R95 IonicContact OE2-NH2 3.9Å; E93-R95 PolarHBondContact OE2-NH2 3.48Å; E93-K103 VanDerWaalsContact OE1-CE 3.29Å; E93-K103 WeakPolarHBondContact OE1-CE 3.48Å; E93-K103 IonicContact OE1-NZ 2.77Å; E93-K103 PolarHBondContact OE1-NZ 2.87Å; E93-K103 WeakPolarHBondContact OE2-CE 3.26Å; E93-K103 IonicContact OE2-NZ 3.78Å; E93-K103 PolarHBondContact OE2-NZ 3.22Å
94G89.6Confident91.6Very high72 Ų7256.8 Ų56.874%0.74230%0.295SS*.THydrogen-bonded Turntrans72.414.4-178.700000114.1C90 K91 L92C90-G94 PolarHBondContact O-N 2.86Å; K91-G94 PolarHBondContact O-N 3.27Å; K91-G94 VanDerWaalsContact O-N 3.09Å; L92-G94 PolarHBondContact O-N 2.8Å; L92-G94 VanDerWaalsContact O-N 3.12Å
95R91.6Very high92Very high90 Ų9057.4 Ų57.434%0.3429%0.294SS..SBendtrans-94.3165176.4-50.4-179.7-163.1-175.8-0.1110.7E50 C90 E93 A99E50-R95 VanDerWaalsContact CG-NH2 3.27Å; E50-R95 IonicContact OE1-CZ 2.92Å; E50-R95 IonicContact OE1-NH1 3.29Å; E50-R95 PolarHBondContact OE1-NH1 3.38Å; E50-R95 IonicContact OE1-NH2 3.12Å; E50-R95 PolarHBondContact OE1-NH2 3.09Å; E50-R95 IonicContact OE2-CZ 2.65Å; E50-R95 IonicContact OE2-NH1 3.49Å; E50-R95 PolarHBondContact OE2-NH1 3.12Å; E50-R95 IonicContact OE2-NH2 3.57Å; E50-R95 PolarHBondContact OE2-NH2 3.17Å; C90-R95 HydrophobicContact CB-CB 4.25Å; C90-R95 CarbonylContact O-C 3.55Å; C90-R95 WeakPolarHBondContact O-CA 3.08Å; C90-R95 VanDerWaalsContact O-CB 3.32Å; C90-R95 WeakPolarHBondContact O-CB 3.14Å; C90-R95 PolarHBondContact O-N 3.15Å; E93-R95 HydrophobicContact CB-CG 4.23Å; E93-R95 PolarHBondContact O-N 3.08Å; E93-R95 IonicContact OE2-CZ 2.66Å; E93-R95 IonicContact OE2-NE 3.9Å; E93-R95 PolarHBondContact OE2-NE 3.29Å; E93-R95 IonicContact OE2-NH1 3.42Å; E93-R95 IonicContact OE2-NH2 3.9Å; E93-R95 PolarHBondContact OE2-NH2 3.48Å; R95-A99 HydrophobicContact CB-CB 4.5Å
96R94.1Very high92.4Very high202 Ų20259.9 Ų59.976%0.76230%0.303SS*.  trans-71143.2170.8-62.7179.6-179.2172.80.5109.3S98 A99R96-S98 PolarHBondContact O-N 2.95Å; R96-A99 VanDerWaalsContact O-CB 3.26Å; R96-A99 WeakPolarHBondContact O-CB 3.48Å; R96-A99 PolarHBondContact O-N 3.35Å
97S91.7Very high92.7Very high41 Ų4159.7 Ų59.729%0.28730%0.303SS..G310 helixtrans-58.6-31.6176.457.20000112.8A99 W100S97-A99 PolarHBondContact O-N 3.29Å; S97-A99 VanDerWaalsContact O-N 3.07Å; S97-W100 WeakPolarHBondContact O-CB 3.35Å; S97-W100 VanDerWaalsContact O-CD1 3.31Å; S97-W100 PolarHBondContact O-N 3.49Å; S97-W100 VanDerWaalsContact O-N 3.09Å
98S94.6Very high92.9Very high82 Ų8259.4 Ų59.457%0.57330%0.299SS*.G310 helixtrans-62.9-10.9175.462.20000114.5R96 W100 P101R96-S98 PolarHBondContact O-N 2.95Å; S98-W100 PolarHBondContact O-N 2.76Å; S98-P101 WeakPolarHBondContact O-CD 3.32Å
99A95.8Very high93.4Very high13 Ų1364.2 Ų64.211%0.10732%0.321CS..G310 helixtrans-81.71.3174.300000113R95 R96 S97 P101 E102 K103R95-A99 HydrophobicContact CB-CB 4.5Å; R96-A99 VanDerWaalsContact O-CB 3.26Å; R96-A99 WeakPolarHBondContact O-CB 3.48Å; R96-A99 PolarHBondContact O-N 3.35Å; S97-A99 PolarHBondContact O-N 3.29Å; S97-A99 VanDerWaalsContact O-N 3.07Å; A99-P101 VanDerWaalsContact C-N 3.28Å; A99-E102 WeakPolarHBondContact O-CB 3.5Å; A99-E102 PolarHBondContact O-N 3.2Å; A99-E102 VanDerWaalsContact O-N 3.07Å; A99-K103 PolarHBondContact O-N 3.09Å
100W95.3Very high93.9Very high78 Ų7864.1 Ų64.130%0.29532%0.321SS..Hα-helixtrans-52.5-35.317878.1-103.6000114.2T83 L86 E87 S97 S98 E102 K103 A104T83-W100 HydrophobicContact CG2-CD2 3.81Å; T83-W100 HydrophobicContact CG2-CE3 4.23Å; T83-W100 HydrophobicContact CG2-CG 4.25Å; T83-W100 HydrophobicContact CG2-CH2 4.31Å; T83-W100 HydrophobicContact CG2-CZ2 3.88Å; T83-W100 HydrophobicContact CG2-CZ3 4.47Å; L86-W100 HydrophobicContact CB-CB 3.82Å; L86-W100 HydrophobicContact CD1-CE3 4.12Å; E87-W100 HydrophobicContact CG-CB 3.83Å; E87-W100 VanDerWaalsContact CG-CD1 3.46Å; E87-W100 HydrophobicContact CG-CG 3.79Å; S97-W100 WeakPolarHBondContact O-CB 3.35Å; S97-W100 VanDerWaalsContact O-CD1 3.31Å; S97-W100 PolarHBondContact O-N 3.49Å; S97-W100 VanDerWaalsContact O-N 3.09Å; S98-W100 PolarHBondContact O-N 2.76Å; W100-E102 PolarHBondContact O-N 2.87Å; W100-K103 PolarHBondContact O-N 3.36Å; W100-A104 HydrophobicContact CE3-CB 4.46Å; W100-A104 WeakPolarHBondContact O-CB 3.08Å; W100-A104 PolarHBondContact O-N 3.18Å
101P96.3Very high94.2Very high49 Ų4964.9 Ų64.932%0.31833%0.325SS..Hα-helixtrans-67.3-37178.1-19.433.5000112.2S98 A99 A104 N105S98-P101 WeakPolarHBondContact O-CD 3.32Å; A99-P101 VanDerWaalsContact C-N 3.28Å; P101-A104 PolarHBondContact O-N 3.18Å; P101-N105 WeakPolarHBondContact O-CB 3.38Å; P101-N105 VanDerWaalsContact O-CG 3.23Å; P101-N105 PolarHBondContact O-N 3.17Å; P101-N105 PolarHBondContact O-ND2 2.83Å
102E96.6Very high94.6Very high140 Ų14062.4 Ų62.465%0.65432%0.324SS*.Hα-helixtrans-64.3-43.5176.5-63.2171.2-17300110.4A99 W100 N105 R106A99-E102 WeakPolarHBondContact O-CB 3.5Å; A99-E102 PolarHBondContact O-N 3.2Å; A99-E102 VanDerWaalsContact O-N 3.07Å; W100-E102 PolarHBondContact O-N 2.87Å; E102-N105 PolarHBondContact O-N 2.86Å; E102-R106 WeakPolarHBondContact O-CB 3.24Å; E102-R106 PolarHBondContact O-N 3.16Å
103K94.9Very high95.1Very high0 Ų063.7 Ų63.70%033%0.331CS..Hα-helixtrans-63.9-43.6174.6175.3165.5-74.8-65.70112.4M46 E50 L86 V89 E93 A99 W100 N105 R106 L107M46-K103 PolarHBondContact O-NZ 3.22Å; E50-K103 VanDerWaalsContact CD-NZ 3.34Å; E50-K103 IonicContact OE1-NZ 2.76Å; E50-K103 PolarHBondContact OE1-NZ 3.43Å; L86-K103 HydrophobicContact CD2-CD 4.17Å; L86-K103 HydrophobicContact CD2-CG 3.87Å; V89-K103 HydrophobicContact CB-CD 4.43Å; V89-K103 HydrophobicContact CG1-CD 3.98Å; E93-K103 VanDerWaalsContact OE1-CE 3.29Å; E93-K103 WeakPolarHBondContact OE1-CE 3.48Å; E93-K103 IonicContact OE1-NZ 2.77Å; E93-K103 PolarHBondContact OE1-NZ 2.87Å; E93-K103 WeakPolarHBondContact OE2-CE 3.26Å; E93-K103 IonicContact OE2-NZ 3.78Å; E93-K103 PolarHBondContact OE2-NZ 3.22Å; A99-K103 PolarHBondContact O-N 3.09Å; W100-K103 PolarHBondContact O-N 3.36Å; K103-N105 VanDerWaalsContact C-N 3.31Å; K103-N105 PolarHBondContact O-N 2.83Å; K103-R106 PolarHBondContact O-N 3.43Å; K103-L107 WeakPolarHBondContact O-CB 3.31Å; K103-L107 PolarHBondContact O-N 2.98Å
104A95.7Very high95.7Very high2 Ų262.4 Ų62.42%0.01733%0.325CS..Hα-helixtrans-58.4-46.5176.100000110.9W71 L86 W100 P101 L107 R108W71-A104 HydrophobicContact CH2-CB 4.46Å; W71-A104 HydrophobicContact CZ2-CB 4.34Å; L86-A104 HydrophobicContact CD1-CB 3.89Å; L86-A104 HydrophobicContact CD2-CB 4.48Å; W100-A104 HydrophobicContact CE3-CB 4.46Å; W100-A104 WeakPolarHBondContact O-CB 3.08Å; W100-A104 PolarHBondContact O-N 3.18Å; P101-A104 PolarHBondContact O-N 3.18Å; A104-L107 PolarHBondContact O-N 3.2Å; A104-R108 WeakPolarHBondContact O-CG 3.34Å; A104-R108 PolarHBondContact O-N 2.8Å
105N96.3Very high96.1Very high82 Ų8259.7 Ų59.744%0.43929%0.294SS..Hα-helixtrans-63.1-43.2176.9-71.7-20.1000112P101 E102 K103 L107 R108 Q109P101-N105 WeakPolarHBondContact O-CB 3.38Å; P101-N105 VanDerWaalsContact O-CG 3.23Å; P101-N105 PolarHBondContact O-N 3.17Å; P101-N105 PolarHBondContact O-ND2 2.83Å; E102-N105 PolarHBondContact O-N 2.86Å; K103-N105 VanDerWaalsContact C-N 3.31Å; K103-N105 PolarHBondContact O-N 2.83Å; N105-L107 PolarHBondContact O-N 2.94Å; N105-R108 PolarHBondContact O-N 3.1Å; N105-Q109 WeakPolarHBondContact O-CB 3.41Å; N105-Q109 VanDerWaalsContact O-CG 3.27Å; N105-Q109 WeakPolarHBondContact O-CG 3.37Å; N105-Q109 PolarHBondContact O-N 3.37Å
106R96.7Very high96.4Very high66 Ų6659.1 Ų59.125%0.24930%0.301CS..Hα-helixtrans-57.7-50.6174.5174.457-177.5173.9-1.4110.8C49 F52 E102 K103 R108 Q109 V110C49-R106 PolarHBondContact O-NE 3.12Å; C49-R106 PolarHBondContact O-NH2 2.9Å; F52-R106 PolarHBondContact O-NH2 3.46Å; F52-R106 VanDerWaalsContact O-NH2 3.15Å; E102-R106 WeakPolarHBondContact O-CB 3.24Å; E102-R106 PolarHBondContact O-N 3.16Å; K103-R106 PolarHBondContact O-N 3.43Å; R106-R108 VanDerWaalsContact C-N 3.34Å; R106-R108 PolarHBondContact O-N 3.18Å; R106-Q109 PolarHBondContact O-N 2.8Å; R106-Q109 VanDerWaalsContact O-N 3.13Å; R106-V110 WeakPolarHBondContact O-CG2 3.4Å; R106-V110 PolarHBondContact O-N 3.41Å; R106-V110 VanDerWaalsContact O-N 3.1Å
107L96.7Very high96.6Very high0 Ų049.9 Ų49.90%027%0.267CS..Hα-helixtrans-56.8-47.6178.5179.658.9000111.3F42 V45 M46 C49 L55 W71 K103 A104 N105 Q109 V110 V111F42-L107 HydrophobicContact CB-CD2 4.09Å; F42-L107 HydrophobicContact CD1-CD2 4.1Å; F42-L107 HydrophobicContact CG-CD2 4.32Å; V45-L107 HydrophobicContact CG2-CD1 3.89Å; M46-L107 HydrophobicContact CG-CD2 4.29Å; C49-L107 HydrophobicContact CB-CB 4.32Å; C49-L107 HydrophobicContact CB-CD1 3.76Å; L55-L107 HydrophobicContact CD1-CD1 3.84Å; W71-L107 HydrophobicContact CH2-CB 4.42Å; W71-L107 HydrophobicContact CH2-CD2 3.8Å; W71-L107 HydrophobicContact CH2-CG 4.25Å; W71-L107 HydrophobicContact CZ3-CD2 3.94Å; W71-L107 HydrophobicContact CZ3-CG 4.16Å; K103-L107 WeakPolarHBondContact O-CB 3.31Å; K103-L107 PolarHBondContact O-N 2.98Å; A104-L107 PolarHBondContact O-N 3.2Å; N105-L107 PolarHBondContact O-N 2.94Å; L107-Q109 VanDerWaalsContact C-N 3.28Å; L107-Q109 PolarHBondContact O-N 3.44Å; L107-V110 WeakPolarHBondContact O-CG2 3.28Å; L107-V110 PolarHBondContact O-N 2.76Å; L107-V111 HydrophobicContact CD1-CG2 3.94Å; L107-V111 HydrophobicContact CG-CG2 4.46Å; L107-V111 VanDerWaalsContact O-CG2 3.29Å; L107-V111 WeakPolarHBondContact O-CG2 3.26Å; L107-V111 PolarHBondContact O-N 3.14Å; L107-V111 VanDerWaalsContact O-N 3.12Å
108R96.6Very high96.9Very high58 Ų5850.3 Ų50.322%0.21927%0.267CS..Hα-helixtrans-59.5-37.6176.8-71.1179.9-179.5137.2-11.5113.2W71 L72 D74 A104 N105 R106W71-R108 HydrophobicContact CE3-CG 4.31Å; W71-R108 HydrophobicContact CH2-CG 3.94Å; W71-R108 HydrophobicContact CZ3-CG 3.62Å; W71-R108 PolarHBondContact O-NE 3.26Å; W71-R108 VanDerWaalsContact O-NE 3.15Å; W71-R108 PolarHBondContact O-NH2 2.98Å; L72-R108 HydrophobicContact CD2-CB 4.4Å; L72-R108 HydrophobicContact CD2-CG 4.06Å; D74-R108 IonicContact OD1-CZ 2.83Å; D74-R108 IonicContact OD1-NH1 2.86Å; D74-R108 IonicContact OD1-NH2 3.2Å; D74-R108 PolarHBondContact OD1-NH2 3.45Å; A104-R108 WeakPolarHBondContact O-CG 3.34Å; A104-R108 PolarHBondContact O-N 2.8Å; N105-R108 PolarHBondContact O-N 3.1Å; R106-R108 VanDerWaalsContact C-N 3.34Å; R106-R108 PolarHBondContact O-N 3.18Å
109Q97.1Very high97.1Very high151 Ų15146.8 Ų46.871%0.70624%0.242SC*.Hα-helixtrans-71.6-35.7-178.9-76.2173.9-11.100113.6N105 R106 L107N105-Q109 WeakPolarHBondContact O-CB 3.41Å; N105-Q109 VanDerWaalsContact O-CG 3.27Å; N105-Q109 WeakPolarHBondContact O-CG 3.37Å; N105-Q109 PolarHBondContact O-N 3.37Å; R106-Q109 PolarHBondContact O-N 2.8Å; R106-Q109 VanDerWaalsContact O-N 3.13Å; L107-Q109 VanDerWaalsContact C-N 3.28Å; L107-Q109 PolarHBondContact O-N 3.44Å
110V98Very high97.3Very high4 Ų449.6 Ų49.62%0.02425%0.252CS..Hα-helixtrans-88.8-20.5-177-62.80000113.8C49 N53 K54 L55 R106 L107 S112C49-V110 HydrophobicContact CB-CG2 3.68Å; N53-V110 WeakPolarHBondContact O-CB 3.48Å; N53-V110 WeakPolarHBondContact O-CG1 3.33Å; K54-V110 CarbonylContact C-O 3.56Å; K54-V110 WeakPolarHBondContact CA-O 3.31Å; L55-V110 HydrophobicContact CB-CG2 4.41Å; L55-V110 HydrophobicContact CD1-CG2 3.63Å; L55-V110 HydrophobicContact CG-CG2 4.24Å; L55-V110 PolarHBondContact N-O 3.43Å; R106-V110 WeakPolarHBondContact O-CG2 3.4Å; R106-V110 PolarHBondContact O-N 3.41Å; R106-V110 VanDerWaalsContact O-N 3.1Å; L107-V110 WeakPolarHBondContact O-CG2 3.28Å; L107-V110 PolarHBondContact O-N 2.76Å; V110-S112 PolarHBondContact O-N 2.81Å
111V98.3Very high97.4Very high16 Ų1648.5 Ų48.510%0.09726%0.256CS..EExtended strand (participates in β ladder)trans-68.6104.7172.8176.50000108.3L55 L57 L72 L107 I114L55-V111 HydrophobicContact CB-CG2 3.94Å; L55-V111 HydrophobicContact CD1-CG2 4.43Å; L55-V111 CarbonylContact O-C 3.54Å; L55-V111 WeakPolarHBondContact O-CA 3.35Å; L57-V111 HydrophobicContact CD1-CG1 4.01Å; L57-V111 HydrophobicContact CD1-CG2 4.18Å; L57-V111 HydrophobicContact CG-CG1 4.04Å; L57-V111 HydrophobicContact CG-CG2 4.36Å; L72-V111 HydrophobicContact CD1-CB 4.19Å; L72-V111 HydrophobicContact CD1-CG1 3.57Å; L72-V111 HydrophobicContact CD2-CB 3.97Å; L72-V111 HydrophobicContact CD2-CG1 4.21Å; L72-V111 HydrophobicContact CD2-CG2 4.23Å; L107-V111 HydrophobicContact CD1-CG2 3.94Å; L107-V111 HydrophobicContact CG-CG2 4.46Å; L107-V111 VanDerWaalsContact O-CG2 3.29Å; L107-V111 WeakPolarHBondContact O-CG2 3.26Å; L107-V111 PolarHBondContact O-N 3.14Å; L107-V111 VanDerWaalsContact O-N 3.12Å; V111-I114 HydrophobicContact CG1-CG1 4.46Å
112S97.1Very high97.3Very high72 Ų7249.4 Ų49.450%0.50326%0.263SS..EExtended strand (participates in β ladder)trans-89.1-28.6-174.155.70000113L55 V110L55-S112 PolarHBondContact O-N 3.31Å; L55-S112 PolarHBondContact O-OG 3.47Å; V110-S112 PolarHBondContact O-N 2.81Å
113D97.8Very high97.2Very high83 Ų8349.1 Ų49.144%0.44426%0.262SS..EExtended strand (participates in β ladder)trans-157.4159.9179.6-148.3-19.7000112.7I56 L57 L115I56-D113 HydrophobicContact CG1-CB 4.4Å; L57-D113 PolarHBondContact N-O 2.93Å; L57-D113 VanDerWaalsContact N-O 3.08Å; D113-L115 HydrophobicContact CB-CD2 4.31Å; D113-L115 HydrophobicContact CB-CG 4.34Å; D113-L115 VanDerWaalsContact OD2-CD2 3.32Å; D113-L115 WeakPolarHBondContact OD2-CD2 3.45Å
114I98.5Very high97.3Very high10 Ų1049.4 Ų49.45%0.05126%0.264CS..EExtended strand (participates in β ladder)trans-128.1106.9171.4-60167.1000109.1L57 R65 L68 R69 L72 V111L57-I114 HydrophobicContact CB-CG1 4.22Å; L57-I114 CarbonylContact O-C 3.45Å; L57-I114 VanDerWaalsContact O-CA 3.3Å; L57-I114 WeakPolarHBondContact O-CA 3.31Å; R65-I114 HydrophobicContact CB-CG2 3.73Å; R65-I114 HydrophobicContact CG-CG2 3.81Å; L68-I114 HydrophobicContact CB-CD1 3.56Å; L68-I114 HydrophobicContact CB-CG1 4.46Å; L68-I114 HydrophobicContact CD1-CG2 4.1Å; R69-I114 HydrophobicContact CB-CD1 4.3Å; R69-I114 HydrophobicContact CG-CD1 3.47Å; R69-I114 VanDerWaalsContact CG-CD1 3.47Å; R69-I114 PolarHBondContact NH2-O 3.36Å; L72-I114 HydrophobicContact CD1-CD1 3.41Å; L72-I114 VanDerWaalsContact CD1-CD1 3.41Å; L72-I114 HydrophobicContact CD1-CG1 4.12Å; L72-I114 HydrophobicContact CG-CD1 4.48Å; V111-I114 HydrophobicContact CG1-CG1 4.46Å
115L98.5Very high97.4Very high15 Ų1550 Ų508%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-107.8151.4-169.2-59.2178.3000113.5I56 L57 T58 D59 R65 D113I56-L115 HydrophobicContact CG2-CD1 3.69Å; I56-L115 HydrophobicContact CG2-CG 3.99Å; L57-L115 PolarHBondContact O-N 2.86Å; T58-L115 VanDerWaalsContact CA-O 3.27Å; T58-L115 WeakPolarHBondContact CA-O 3.37Å; T58-L115 HydrophobicContact CG2-CB 4.24Å; D59-L115 PolarHBondContact N-O 3.1Å; R65-L115 WeakPolarHBondContact CD-O 3.17Å; D113-L115 HydrophobicContact CB-CD2 4.31Å; D113-L115 HydrophobicContact CB-CG 4.34Å; D113-L115 VanDerWaalsContact OD2-CD2 3.32Å; D113-L115 WeakPolarHBondContact OD2-CD2 3.45Å
116P98.5Very high97.4Very high77 Ų7748.9 Ų48.950%0.527%0.269SS..EExtended strand (participates in β ladder)trans-65.9141.9162.230.1-33.3000110.5D59D59-P116 WeakPolarHBondContact O-CA 3.49Å
117V98.5Very high96.9Very high8 Ų850.2 Ų50.25%0.04829%0.287CS..  trans-136.1145.1172.1650000110.8T58 D59 F60 V119 P124 V125T58-V117 WeakPolarHBondContact OG1-CG1 3.36Å; D59-V117 PolarHBondContact O-N 2.83Å; F60-V117 VanDerWaalsContact CA-O 3.28Å; F60-V117 WeakPolarHBondContact CA-O 3.5Å; F60-V117 WeakPolarHBondContact CB-O 3.23Å; F60-V117 WeakPolarHBondContact CD2-O 3.5Å; V117-V119 HydrophobicContact CG2-CG1 4.3Å; V117-P124 CarbonylContact C-O 3.6Å; V117-P124 VanDerWaalsContact CA-O 3.24Å; V117-P124 WeakPolarHBondContact CA-O 3.38Å; V117-P124 HydrophobicContact CG2-CB 3.79Å; V117-P124 WeakPolarHBondContact CG2-O 2.85Å; V117-V125 HydrophobicContact CB-CG1 4.09Å; V117-V125 HydrophobicContact CG2-CG1 3.93Å
118D98.4Very high96.6Very high51 Ų5157.9 Ų57.927%0.27333%0.328SS..  trans-132.1105.3165.3-178.4-6.1000109.6F60 H120 C121 P124F60-D118 HydrophobicContact CD2-CB 4.18Å; F60-D118 HydrophobicContact CE2-CB 4.34Å; D118-H120 PolarHBondContact O-N 3.3Å; D118-H120 PolarHBondContact OD1-N 2.67Å; D118-C121 HydrophobicContact CB-CB 4.15Å; D118-C121 WeakPolarHBondContact O-CB 3.49Å; D118-C121 PolarHBondContact O-N 3.18Å; D118-C121 VanDerWaalsContact O-N 3.07Å; D118-C121 PolarHBondContact OD2-SG 3.07Å; D118-P124 PolarHBondContact N-O 3.15Å; D118-P124 VanDerWaalsContact O-CA 3.24Å; D118-P124 WeakPolarHBondContact O-CA 3.33Å; D118-P124 WeakPolarHBondContact O-CB 3.48Å
119V98.5Very high96.4Very high8 Ų857 Ų575%0.04833%0.33CS..THydrogen-bonded Turntrans-67.6-17.3-176-580000113.4I36 V117 L144 V147 A157 H160 I161I36-V119 HydrophobicContact CG2-CG1 3.69Å; V117-V119 HydrophobicContact CG2-CG1 4.3Å; V119-L144 HydrophobicContact CB-CD2 4.16Å; V119-L144 HydrophobicContact CG1-CD2 4.04Å; V119-L144 HydrophobicContact CG2-CD2 4.22Å; V119-V147 HydrophobicContact CG2-CG2 3.57Å; V119-A157 HydrophobicContact CB-CB 4.12Å; V119-A157 HydrophobicContact CG2-CB 3.97Å; V119-A157 WeakPolarHBondContact O-CA 3.32Å; V119-H160 WeakPolarHBondContact O-CB 3.43Å; V119-H160 PolarHBondContact O-ND1 3.36Å; V119-I161 HydrophobicContact CB-CG2 4.11Å; V119-I161 HydrophobicContact CG1-CG2 3.77Å
120H98.4Very high96.3Very high72 Ų7251 Ų5133%0.33330%0.303SS..THydrogen-bonded Turntrans-86.7-12.2175.9-66.8-54.7000112.7D118 V147 S148 H160D118-H120 PolarHBondContact O-N 3.3Å; D118-H120 PolarHBondContact OD1-N 2.67Å; H120-V147 PolarHBondContact NE2-O 3.3Å; H120-S148 PolarHBondContact CE1-OG 3.15Å; H120-H160 PolarHBondContact O-CE1 3.37Å; H120-H160 VanDerWaalsContact O-CE1 3.29Å
121C97.5Very high96.2Very high55 Ų5554 Ų5437%0.37232%0.322SS..SBendtrans-77.1138.7168.3-75.90000110.8D118 Q123 H160D118-C121 HydrophobicContact CB-CB 4.15Å; D118-C121 WeakPolarHBondContact O-CB 3.49Å; D118-C121 PolarHBondContact O-N 3.18Å; D118-C121 VanDerWaalsContact O-N 3.07Å; D118-C121 PolarHBondContact OD2-SG 3.07Å; C121-Q123 PolarHBondContact O-N 2.74Å; C121-Q123 VanDerWaalsContact O-N 3.14Å; C121-H160 PolarHBondContact O-ND1 3.17Å
122S95.3Very high95.8Very high68 Ų6859.6 Ų59.648%0.47636%0.362SS..SBendtrans-65-18.5178.468.90000113.5K163S122-K163 WeakPolarHBondContact O-CD 3.35Å; S122-K163 PolarHBondContact O-NZ 3.06Å
123Q94.9Very high95.6Very high133 Ų13360.9 Ų60.962%0.62137%0.367SS*.SBendtrans-119.292.3166.7-66.7177.8-4.500107.4C121 V125C121-Q123 PolarHBondContact O-N 2.74Å; C121-Q123 VanDerWaalsContact O-N 3.14Å; Q123-V125 VanDerWaalsContact C-N 3.31Å; Q123-V125 PolarHBondContact O-N 3.2Å
124P96.9Very high95.5Very high7 Ų757.4 Ų57.45%0.04535%0.351CS..  trans-67.8-28-170.6-25.234.1000115.1V117 D118 H160 I161 L164V117-P124 CarbonylContact C-O 3.6Å; V117-P124 VanDerWaalsContact CA-O 3.24Å; V117-P124 WeakPolarHBondContact CA-O 3.38Å; V117-P124 HydrophobicContact CG2-CB 3.79Å; V117-P124 WeakPolarHBondContact CG2-O 2.85Å; D118-P124 PolarHBondContact N-O 3.15Å; D118-P124 VanDerWaalsContact O-CA 3.24Å; D118-P124 WeakPolarHBondContact O-CA 3.33Å; D118-P124 WeakPolarHBondContact O-CB 3.48Å; P124-H160 HydrophobicContact CG-CB 3.85Å; P124-I161 HydrophobicContact CG-CG2 4.46Å; P124-L164 HydrophobicContact CB-CD1 4.24Å; P124-L164 HydrophobicContact CG-CD1 4.43Å
125V97.4Very high95.5Very high14 Ų1456.9 Ų56.99%0.08535%0.348CS..SBendtrans-125167.5175.4-59.80000109.2T58 V117 Q123 L130 L164T58-V125 HydrophobicContact CG2-CG1 4.45Å; V117-V125 HydrophobicContact CB-CG1 4.09Å; V117-V125 HydrophobicContact CG2-CG1 3.93Å; Q123-V125 VanDerWaalsContact C-N 3.31Å; Q123-V125 PolarHBondContact O-N 3.2Å; V125-L130 HydrophobicContact CG2-CD1 4.11Å; V125-L130 HydrophobicContact CG2-CG 4.23Å; V125-L164 HydrophobicContact CG1-CD1 4.36Å; V125-L164 HydrophobicContact CG2-CD1 4.25Å; V125-L164 HydrophobicContact CG2-CD2 3.68Å
126A95.3Very high95.5Very high58 Ų5857.1 Ų57.148%0.47935%0.35SS..  trans-62.8144.3179.400000111.5D128 S129A126-D128 PolarHBondContact O-N 2.56Å; A126-D128 VanDerWaalsContact O-N 3.1Å; A126-S129 VanDerWaalsContact O-CB 3.26Å; A126-S129 WeakPolarHBondContact O-CB 3.29Å; A126-S129 PolarHBondContact O-N 3.11Å; A126-S129 PolarHBondContact O-OG 3.07Å
127P86.8Confident95.5Very high95 Ų9553.4 Ų53.462%0.61733%0.326SS*.THydrogen-bonded Turntrans-55.3-32.3-171.4-29.936.2000115.9
128D90.4Very high95.5Very high161 Ų16153 Ų5386%0.86132%0.323SS*.THydrogen-bonded Turntrans-98.26.5-176.5-57.2-44.5000113.2A126A126-D128 PolarHBondContact O-N 2.56Å; A126-D128 VanDerWaalsContact O-N 3.1Å
129S93.3Very high95.4Very high38 Ų3850.8 Ų50.827%0.26631%0.311SS..SBendtrans-76-21.5-178.7-720000114A126A126-S129 VanDerWaalsContact O-CB 3.26Å; A126-S129 WeakPolarHBondContact O-CB 3.29Å; A126-S129 PolarHBondContact O-N 3.11Å; A126-S129 PolarHBondContact O-OG 3.07Å
130L95.1Very high95.4Very high25 Ų2550.4 Ų50.413%0.13131%0.309CS..SBendtrans-124.8157.3-179-60.3-178.1000110.7L32 V34 I56 V125 L164L32-L130 HydrophobicContact CD2-CD2 4.17Å; V34-L130 HydrophobicContact CG2-CD1 4.37Å; V34-L130 HydrophobicContact CG2-CD2 3.66Å; I56-L130 HydrophobicContact CD1-CD2 3.5Å; V125-L130 HydrophobicContact CG2-CD1 4.11Å; V125-L130 HydrophobicContact CG2-CG 4.23Å; L130-L164 HydrophobicContact CD1-CB 3.75Å; L130-L164 HydrophobicContact CD1-CD1 4.4Å; L130-L164 HydrophobicContact CD1-CD2 3.88Å; L130-L164 HydrophobicContact CD1-CG 4.21Å
131P94Very high95.2Very high67 Ų6747.3 Ų47.344%0.43530%0.296SS..  trans-54.1146.3168.8-23.333.9000111.2L32 T133 G134L32-P131 HydrophobicContact CD2-CG 3.81Å; P131-T133 PolarHBondContact O-N 2.92Å; P131-G134 PolarHBondContact O-N 3Å
132S91.4Very high95Very high135 Ų13546.1 Ų46.194%0.94428%0.284SS*.THydrogen-bonded Turntrans-59.4-21.9179.357.10000113.8G134S132-G134 VanDerWaalsContact C-N 3.3Å
133T92.6Very high95Very high98 Ų9843.6 Ų43.660%0.60127%0.266SS*.THydrogen-bonded Turntrans-76.3-15.7174.353.40000113.6P131 R166P131-T133 PolarHBondContact O-N 2.92Å; T133-R166 VanDerWaalsContact O-CA 3.25Å; T133-R166 WeakPolarHBondContact O-CA 3.01Å; T133-R166 WeakPolarHBondContact O-CB 2.85Å
134G96.1Very high95.1Very high10 Ų1037.2 Ų37.210%0.10324%0.237CC..  trans83.4173.3-165.400000112.8P131 S132 L164P131-G134 PolarHBondContact O-N 3Å; S132-G134 VanDerWaalsContact C-N 3.3Å; G134-L164 CarbonylContact C-O 3.6Å; G134-L164 VanDerWaalsContact CA-O 3.31Å; G134-L164 WeakPolarHBondContact CA-O 3.48Å
135A98Very high95.1Very high0 Ų036.9 Ų36.90%023%0.234CC..EExtended strand (participates in β ladder)trans-71.1160.3173.900000111.8L32 V34 L138 L164 L165 R166L32-A135 HydrophobicContact CD2-CB 4.18Å; L32-A135 HydrophobicContact CG-CB 4.12Å; V34-A135 HydrophobicContact CB-CB 4.4Å; V34-A135 HydrophobicContact CG2-CB 3.6Å; A135-L138 HydrophobicContact CB-CD2 4.16Å; A135-L164 PolarHBondContact N-O 2.86Å; A135-L165 WeakPolarHBondContact O-CD1 3.07Å; A135-R166 WeakPolarHBondContact O-CB 3.48Å; A135-R166 VanDerWaalsContact O-CG 3.29Å; A135-R166 WeakPolarHBondContact O-CG 3.39Å; A135-R166 PolarHBondContact O-N 2.83Å
136D98.1Very high94.9Very high19 Ų1936.7 Ų36.710%0.10223%0.233CC..EExtended strand (participates in β ladder)trans-83.9-29.1174.6-60-72.1000112.1E31 L32 F52 R166 G169 H170E31-D136 WeakPolarHBondContact CA-OD2 3.35Å; E31-D136 PolarHBondContact N-OD2 3.45Å; L32-D136 PolarHBondContact N-OD2 2.94Å; L32-D136 PolarHBondContact O-N 3.19Å; F52-D136 HydrophobicContact CE1-CB 4.07Å; D136-R166 WeakPolarHBondContact OD1-CD 3.29Å; D136-R166 IonicContact OD1-CZ 3.46Å; D136-R166 IonicContact OD1-NE 2.82Å; D136-R166 PolarHBondContact OD1-NE 2.82Å; D136-R166 IonicContact OD1-NH1 3.14Å; D136-R166 PolarHBondContact OD1-NH1 3.17Å; D136-R166 IonicContact OD1-NH2 3.59Å; D136-R166 PolarHBondContact OD1-NH2 2.68Å; D136-R166 VanDerWaalsContact OD1-NH2 3.14Å; D136-G169 VanDerWaalsContact O-CA 3.3Å; D136-G169 WeakPolarHBondContact O-CA 3.42Å; D136-H170 PolarHBondContact O-N 3.24Å; D136-H170 VanDerWaalsContact O-N 3.08Å
137C98Very high94.9Very high0 Ų037.2 Ų37.20%023%0.231CC..EExtended strand (participates in β ladder)trans-143.6138.8-179.8-172.70000111.3V28 L32 L33 V34 F52 H170V28-C137 HydrophobicContact CG1-CB 4.49Å; L32-C137 PolarHBondContact O-N 2.73Å; L33-C137 WeakPolarHBondContact CA-O 3.39Å; L33-C137 HydrophobicContact CB-CB 4.3Å; L33-C137 HydrophobicContact CD1-CB 4.3Å; L33-C137 HydrophobicContact CG-CB 4.12Å; V34-C137 PolarHBondContact N-O 3.08Å; F52-C137 HydrophobicContact CE1-CB 3.66Å; F52-C137 HydrophobicContact CE2-CB 4.13Å; F52-C137 HydrophobicContact CZ-CB 3.29Å; C137-H170 CarbonylContact C-O 3.52Å; C137-H170 VanDerWaalsContact CA-O 3.26Å; C137-H170 WeakPolarHBondContact CA-O 3.4Å
138L98.3Very high95.5Very high0 Ų032.9 Ų32.90%020%0.203CC..EExtended strand (participates in β ladder)trans-109.7137.9165.1-63-173.9000109.9V34 I36 A135 I161 L164 L165 H170 L171 M172V34-L138 HydrophobicContact CB-CD2 3.69Å; V34-L138 HydrophobicContact CG1-CD2 4.43Å; V34-L138 HydrophobicContact CG2-CD2 4.38Å; V34-L138 WeakPolarHBondContact O-CA 3.28Å; I36-L138 HydrophobicContact CG1-CD2 4.45Å; A135-L138 HydrophobicContact CB-CD2 4.16Å; L138-I161 HydrophobicContact CD1-CB 4.43Å; L138-I161 VanDerWaalsContact CD1-O 3.28Å; L138-I161 WeakPolarHBondContact CD1-O 3.32Å; L138-L164 HydrophobicContact CD1-CB 4.48Å; L138-L164 HydrophobicContact CD2-CB 4.37Å; L138-L165 HydrophobicContact CD1-CB 3.8Å; L138-L165 HydrophobicContact CD1-CD2 4.37Å; L138-L165 HydrophobicContact CG-CB 3.94Å; L138-L165 HydrophobicContact CG-CD1 4.15Å; L138-L165 HydrophobicContact CG-CD2 4.27Å; L138-L165 HydrophobicContact CG-CG 4.35Å; L138-H170 PolarHBondContact N-O 3.13Å; L138-L171 HydrophobicContact CB-CD1 3.8Å; L138-L171 CarbonylContact O-C 3.55Å; L138-L171 WeakPolarHBondContact O-CA 3.45Å; L138-M172 PolarHBondContact O-N 3.29Å
139V97.6Very high95.8Very high3 Ų330.4 Ų30.42%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-114.7140.4164.31780000107.4F23 L33 V34 D35 I36 Q44 M172F23-V139 HydrophobicContact CZ-CG2 4.14Å; L33-V139 HydrophobicContact CD1-CG2 3.78Å; L33-V139 HydrophobicContact CD2-CB 4.22Å; L33-V139 HydrophobicContact CD2-CG2 3.79Å; L33-V139 HydrophobicContact CG-CG2 4.08Å; V34-V139 PolarHBondContact O-N 2.84Å; D35-V139 CarbonylContact C-O 3.59Å; D35-V139 WeakPolarHBondContact CA-O 3.45Å; I36-V139 PolarHBondContact N-O 3.19Å; Q44-V139 HydrophobicContact CB-CG1 3.99Å; Q44-V139 HydrophobicContact CG-CG1 4.08Å; V139-M172 CarbonylContact C-O 3.59Å; V139-M172 WeakPolarHBondContact CA-O 2.84Å; V139-M172 HydrophobicContact CG2-CB 4.13Å; V139-M172 HydrophobicContact CG2-CG 4.43Å
140S97.3Very high96Very high0 Ų031.9 Ų31.90%020%0.2CC..EExtended strand (participates in β ladder)trans-148.1127.1168.4-168.10000109.3I36 C143 M172 L173 I174I36-S140 WeakPolarHBondContact O-CB 3.17Å; I36-S140 PolarHBondContact O-OG 3.01Å; S140-C143 WeakPolarHBondContact OG-CB 3.15Å; S140-M172 PolarHBondContact N-O 2.83Å; S140-L173 WeakPolarHBondContact O-CA 3.49Å; S140-I174 PolarHBondContact O-N 3.12Å
141C94.1Very high96.2Very high8 Ų833.1 Ų33.15%0.05421%0.207CC..EExtended strand (participates in β ladder)trans-129.3118.7-171.7-63.50000110.2Q44 C143 I174Q44-C141 HydrophobicContact CB-CB 4.19Å; Q44-C141 WeakPolarHBondContact CB-SG 3.47Å; Q44-C141 HydrophobicContact CG-CB 4.38Å; C141-C143 PolarHBondContact O-N 2.83Å; C141-C143 VanDerWaalsContact O-N 3.15Å; C141-I174 CarbonylContact C-O 3.58Å; C141-I174 WeakPolarHBondContact CA-O 3.32Å; C141-I174 HydrophobicContact CB-CB 4.36Å
142F93.4Very high96.4Very high30 Ų3033.3 Ų33.313%0.13221%0.208CC..SBendtrans54.429.4179-54.4-74.9000114.5L11 E145 S146 I174 A176 V233L11-F142 HydrophobicContact CD2-CZ 4.09Å; F142-E145 VanDerWaalsContact CA-OE1 3.32Å; F142-E145 WeakPolarHBondContact CA-OE1 3.35Å; F142-S146 WeakPolarHBondContact O-CB 3.24Å; F142-S146 PolarHBondContact O-OG 3.05Å; F142-I174 HydrophobicContact CE1-CG2 4.44Å; F142-I174 HydrophobicContact CE2-CG2 3.94Å; F142-I174 HydrophobicContact CZ-CG2 3.87Å; F142-I174 PolarHBondContact N-O 3.28Å; F142-A176 HydrophobicContact CD1-CB 4.42Å; F142-V233 HydrophobicContact CE1-CG1 4.15Å; F142-V233 HydrophobicContact CE1-CG2 4.12Å; F142-V233 HydrophobicContact CZ-CG1 3.93Å; F142-V233 HydrophobicContact CZ-CG2 4.16Å
143C96.2Very high96.7Very high14 Ų1427 Ų2710%0.09516%0.163CC..  trans-100.6-64.1-175.1177.20000111.8S140 C141 E145 S146 V147S140-C143 WeakPolarHBondContact OG-CB 3.15Å; C141-C143 PolarHBondContact O-N 2.83Å; C141-C143 VanDerWaalsContact O-N 3.15Å; C143-E145 PolarHBondContact N-OE2 3.05Å; C143-E145 PolarHBondContact O-N 3.36Å; C143-S146 WeakPolarHBondContact O-CB 3.43Å; C143-S146 PolarHBondContact O-N 2.83Å; C143-S146 VanDerWaalsContact O-N 3.1Å; C143-V147 WeakPolarHBondContact O-CG2 3.24Å; C143-V147 PolarHBondContact O-N 3.46Å; C143-V147 VanDerWaalsContact O-N 3.12Å
144L97.8Very high97Very high0 Ų022.3 Ų22.30%014%0.135CC..Hα-helixtrans-63.5-42.7-164-61.3-175.3000112.8V119 S146 S148 F154 A157 L158 I161 L173V119-L144 HydrophobicContact CB-CD2 4.16Å; V119-L144 HydrophobicContact CG1-CD2 4.04Å; V119-L144 HydrophobicContact CG2-CD2 4.22Å; L144-S146 VanDerWaalsContact C-N 3.35Å; L144-S148 WeakPolarHBondContact O-CB 3.47Å; L144-S148 PolarHBondContact O-N 2.95Å; L144-S148 PolarHBondContact O-OG 3.27Å; L144-F154 HydrophobicContact CB-CD2 3.66Å; L144-F154 HydrophobicContact CB-CE2 3.54Å; L144-F154 HydrophobicContact CD1-CE2 4.37Å; L144-A157 HydrophobicContact CD2-CB 4.16Å; L144-L158 HydrophobicContact CD1-CB 4.14Å; L144-L158 HydrophobicContact CD1-CD1 3.9Å; L144-I161 HydrophobicContact CD1-CD1 3.95Å; L144-I161 HydrophobicContact CD2-CD1 4.34Å; L144-L173 HydrophobicContact CD1-CD1 3.86Å; L144-L173 HydrophobicContact CG-CD1 4.32Å
145E96.3Very high97.2Very high0 Ų022.6 Ų22.60%014%0.135CC..Hα-helixtrans-69.4-34.2176.678.5-76.2-15800112.1F142 C143 V147 F154 G175 A176 V192 V193 L195F142-E145 VanDerWaalsContact CA-OE1 3.32Å; F142-E145 WeakPolarHBondContact CA-OE1 3.35Å; C143-E145 PolarHBondContact N-OE2 3.05Å; C143-E145 PolarHBondContact O-N 3.36Å; E145-V147 VanDerWaalsContact C-N 3.29Å; E145-V147 PolarHBondContact O-N 3.37Å; E145-F154 HydrophobicContact CB-CD2 4.3Å; E145-F154 HydrophobicContact CB-CE2 4.31Å; E145-G175 WeakPolarHBondContact OE1-CA 3.2Å; E145-A176 HydrophobicContact CG-CB 4.42Å; E145-A176 PolarHBondContact OE1-N 2.69Å; E145-V192 HydrophobicContact CB-CG1 4.17Å; E145-V192 HydrophobicContact CG-CG1 3.74Å; E145-V193 HydrophobicContact CB-CG1 4.2Å; E145-V193 WeakPolarHBondContact O-CG1 3.49Å; E145-V193 PolarHBondContact O-N 3.08Å; E145-V193 VanDerWaalsContact O-N 3.16Å; E145-L195 HydrophobicContact CB-CD1 3.7Å; E145-L195 HydrophobicContact CB-CG 4.4Å
146S93.8Very high97.2Very high9 Ų928.9 Ų28.96%0.06316%0.158CC..Hα-helixtrans-72.6-22.3-178.5-60.60000113.5F142 C143 L144F142-S146 WeakPolarHBondContact O-CB 3.24Å; F142-S146 PolarHBondContact O-OG 3.05Å; C143-S146 WeakPolarHBondContact O-CB 3.43Å; C143-S146 PolarHBondContact O-N 2.83Å; C143-S146 VanDerWaalsContact O-N 3.1Å; L144-S146 VanDerWaalsContact C-N 3.35Å
147V95.1Very high97.2Very high70 Ų7028 Ų2842%0.42415%0.154SC..Hα-helixtrans-113.1-5-176.7-540000113.3V119 H120 C143 E145V119-V147 HydrophobicContact CG2-CG2 3.57Å; H120-V147 PolarHBondContact NE2-O 3.3Å; C143-V147 WeakPolarHBondContact O-CG2 3.24Å; C143-V147 PolarHBondContact O-N 3.46Å; C143-V147 VanDerWaalsContact O-N 3.12Å; E145-V147 VanDerWaalsContact C-N 3.29Å; E145-V147 PolarHBondContact O-N 3.37Å
148S97.9Very high97.3Very high4 Ų428 Ų283%0.02815%0.154CC..  trans-97.3128.7-179.4-63.20000111.2H120 L144 D150 F154 V193H120-S148 PolarHBondContact CE1-OG 3.15Å; L144-S148 WeakPolarHBondContact O-CB 3.47Å; L144-S148 PolarHBondContact O-N 2.95Å; L144-S148 PolarHBondContact O-OG 3.27Å; S148-D150 VanDerWaalsContact C-N 3.3Å; S148-D150 PolarHBondContact O-N 3.01Å; S148-F154 VanDerWaalsContact OG-CA 3.31Å; S148-F154 WeakPolarHBondContact OG-CA 3.1Å; S148-F154 PolarHBondContact OG-N 3.27Å; S148-V193 WeakPolarHBondContact O-CB 3.41Å; S148-V193 WeakPolarHBondContact O-CG1 3.45Å
149P96.8Very high97.3Very high108 Ų10829 Ų2970%0.70117%0.165SC*.SBendtrans-71.9-23-179.928.4-37.1000113.9A153P149-A153 HydrophobicContact CG-CB 3.87Å
150D98.4Very high97.3Very high69 Ų6930.5 Ų30.537%0.36917%0.171SC..SBendtrans-155.5170.2-176.956.941.4000111.6S148 P152 A153 F154S148-D150 VanDerWaalsContact C-N 3.3Å; S148-D150 PolarHBondContact O-N 3.01Å; D150-P152 WeakPolarHBondContact OD1-CD 3.45Å; D150-A153 PolarHBondContact O-N 3.25Å; D150-A153 WeakPolarHBondContact OD1-CB 3.28Å; D150-A153 PolarHBondContact OD1-N 3.49Å; D150-F154 PolarHBondContact O-N 3.34Å
151L98.6Very high97.4Very high52 Ų5230.5 Ų30.527%0.27217%0.171SC..Hα-helixtrans-58.8-46.7179.3172.666.2000112.1A153 F154 T155 L195 Q199L151-A153 VanDerWaalsContact C-N 3.26Å; L151-A153 PolarHBondContact O-N 3.29Å; L151-F154 HydrophobicContact CD1-CD1 4.25Å; L151-F154 WeakPolarHBondContact O-CB 3.33Å; L151-F154 PolarHBondContact O-N 3.36Å; L151-F154 VanDerWaalsContact O-N 3.1Å; L151-T155 PolarHBondContact O-N 2.77Å; L151-T155 PolarHBondContact O-OG1 2.93Å; L151-L195 HydrophobicContact CD1-CD2 3.81Å; L151-Q199 HydrophobicContact CD1-CB 3.98Å; L151-Q199 HydrophobicContact CD1-CG 4.42Å; L151-Q199 HydrophobicContact CD2-CB 4.29Å; L151-Q199 HydrophobicContact CD2-CG 3.86Å
152P98.7Very high97.6Very high71 Ų7130.4 Ų30.446%0.46117%0.172SC..Hα-helixtrans-55.8-38.4174.8-28.436.2000113.9D150 R156D150-P152 WeakPolarHBondContact OD1-CD 3.45Å; P152-R156 VanDerWaalsContact C-NH1 3.33Å; P152-R156 VanDerWaalsContact CB-NH1 3.29Å; P152-R156 WeakPolarHBondContact O-CB 3.41Å; P152-R156 VanDerWaalsContact O-CG 3.3Å; P152-R156 WeakPolarHBondContact O-CG 3.38Å; P152-R156 PolarHBondContact O-N 3.12Å; P152-R156 PolarHBondContact O-NH1 3.34Å
153A98.6Very high97.7Very high1 Ų134.8 Ų34.81%0.00819%0.191CC..Hα-helixtrans-68.3-40.9175.600000112P149 D150 L151 R156 A157P149-A153 HydrophobicContact CG-CB 3.87Å; D150-A153 PolarHBondContact O-N 3.25Å; D150-A153 WeakPolarHBondContact OD1-CB 3.28Å; D150-A153 PolarHBondContact OD1-N 3.49Å; L151-A153 VanDerWaalsContact C-N 3.26Å; L151-A153 PolarHBondContact O-N 3.29Å; A153-R156 VanDerWaalsContact CA-NH2 3.3Å; A153-R156 PolarHBondContact O-N 3.09Å; A153-A157 WeakPolarHBondContact O-CB 3.35Å; A153-A157 PolarHBondContact O-N 3.5Å
154F98.8Very high97.8Very high0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-57.7-49172.8171.8-90.8000111.4L144 E145 S148 D150 L151 R156 A157 L158 L173 V193 L195L144-F154 HydrophobicContact CB-CD2 3.66Å; L144-F154 HydrophobicContact CB-CE2 3.54Å; L144-F154 HydrophobicContact CD1-CE2 4.37Å; E145-F154 HydrophobicContact CB-CD2 4.3Å; E145-F154 HydrophobicContact CB-CE2 4.31Å; S148-F154 VanDerWaalsContact OG-CA 3.31Å; S148-F154 WeakPolarHBondContact OG-CA 3.1Å; S148-F154 PolarHBondContact OG-N 3.27Å; D150-F154 PolarHBondContact O-N 3.34Å; L151-F154 HydrophobicContact CD1-CD1 4.25Å; L151-F154 WeakPolarHBondContact O-CB 3.33Å; L151-F154 PolarHBondContact O-N 3.36Å; L151-F154 VanDerWaalsContact O-N 3.1Å; F154-R156 PolarHBondContact O-N 2.86Å; F154-A157 PolarHBondContact O-N 3.04Å; F154-L158 WeakPolarHBondContact O-CB 3.32Å; F154-L158 PolarHBondContact O-N 3.13Å; F154-L173 HydrophobicContact CZ-CD2 4.34Å; F154-V193 HydrophobicContact CB-CG1 4.39Å; F154-L195 HydrophobicContact CD1-CD1 4.2Å; F154-L195 HydrophobicContact CD1-CD2 4.43Å; F154-L195 HydrophobicContact CD2-CD1 3.66Å; F154-L195 HydrophobicContact CE1-CD1 4.01Å; F154-L195 HydrophobicContact CE2-CD1 3.42Å; F154-L195 VanDerWaalsContact CE2-CD1 3.42Å; F154-L195 HydrophobicContact CG-CD1 4.04Å; F154-L195 HydrophobicContact CG-CD2 4.42Å; F154-L195 HydrophobicContact CZ-CD1 3.62Å
155T98.8Very high97.8Very high17 Ų1735.1 Ų35.110%0.10419%0.191CC..Hα-helixtrans-63.4-40.8178.8-49.50000111.6L151 L158 G159 S203 E206 T207L151-T155 PolarHBondContact O-N 2.77Å; L151-T155 PolarHBondContact O-OG1 2.93Å; T155-L158 PolarHBondContact O-N 3.1Å; T155-G159 PolarHBondContact O-N 3.12Å; T155-S203 PolarHBondContact OG1-OG 2.84Å; T155-E206 HydrophobicContact CG2-CB 4.36Å; T155-E206 WeakPolarHBondContact CG2-OE2 3.13Å; T155-T207 HydrophobicContact CG2-CG2 3.93Å; T155-T207 VanDerWaalsContact O-CG2 3.28Å; T155-T207 WeakPolarHBondContact O-CG2 3.43Å
156R98.8Very high97.9Very high131 Ų13139.7 Ų39.749%0.49421%0.209SC..Hα-helixtrans-63.2-45.1174.3-76.2-172.2-56.1-86.22.2112.3P152 A153 F154 L158 G159 H160P152-R156 VanDerWaalsContact C-NH1 3.33Å; P152-R156 VanDerWaalsContact CB-NH1 3.29Å; P152-R156 WeakPolarHBondContact O-CB 3.41Å; P152-R156 VanDerWaalsContact O-CG 3.3Å; P152-R156 WeakPolarHBondContact O-CG 3.38Å; P152-R156 PolarHBondContact O-N 3.12Å; P152-R156 PolarHBondContact O-NH1 3.34Å; A153-R156 VanDerWaalsContact CA-NH2 3.3Å; A153-R156 PolarHBondContact O-N 3.09Å; F154-R156 PolarHBondContact O-N 2.86Å; R156-L158 VanDerWaalsContact C-N 3.32Å; R156-L158 PolarHBondContact O-N 3.45Å; R156-G159 PolarHBondContact O-N 3.43Å; R156-G159 VanDerWaalsContact O-N 3.15Å; R156-H160 PolarHBondContact O-CD2 2.85Å; R156-H160 VanDerWaalsContact O-CG 3.25Å; R156-H160 PolarHBondContact O-N 2.88Å
157A98.8Very high98.1Very high0 Ų043.7 Ų43.70%023%0.234CC..Hα-helixtrans-60.9-42.4178.200000111.3V119 L144 A153 F154 G159 H160 I161V119-A157 HydrophobicContact CB-CB 4.12Å; V119-A157 HydrophobicContact CG2-CB 3.97Å; V119-A157 WeakPolarHBondContact O-CA 3.32Å; L144-A157 HydrophobicContact CD2-CB 4.16Å; A153-A157 WeakPolarHBondContact O-CB 3.35Å; A153-A157 PolarHBondContact O-N 3.5Å; F154-A157 PolarHBondContact O-N 3.04Å; A157-G159 VanDerWaalsContact C-N 3.33Å; A157-G159 PolarHBondContact O-N 2.9Å; A157-H160 PolarHBondContact O-N 3.41Å; A157-I161 WeakPolarHBondContact O-CG2 3.38Å; A157-I161 PolarHBondContact O-N 3.42Å
158L98.7Very high98.2Very high0 Ų041.5 Ų41.50%023%0.226CC..Hα-helixtrans-58.6-43.1173.3-177.160.2000112.1L144 F154 T155 R156 I161 G162 L171 L173 L204 T207 Y209L144-L158 HydrophobicContact CD1-CB 4.14Å; L144-L158 HydrophobicContact CD1-CD1 3.9Å; F154-L158 WeakPolarHBondContact O-CB 3.32Å; F154-L158 PolarHBondContact O-N 3.13Å; T155-L158 PolarHBondContact O-N 3.1Å; R156-L158 VanDerWaalsContact C-N 3.32Å; R156-L158 PolarHBondContact O-N 3.45Å; L158-I161 HydrophobicContact CD1-CD1 4.24Å; L158-I161 HydrophobicContact CD1-CG1 4.46Å; L158-I161 VanDerWaalsContact O-CG1 3.23Å; L158-I161 WeakPolarHBondContact O-CG1 3.23Å; L158-G162 PolarHBondContact O-N 3.28Å; L158-L171 HydrophobicContact CD1-CD2 3.69Å; L158-L173 HydrophobicContact CD1-CD2 4.42Å; L158-L204 HydrophobicContact CD1-CD2 4.46Å; L158-L204 HydrophobicContact CD2-CD2 4Å; L158-L204 HydrophobicContact CD2-CG 4.17Å; L158-T207 HydrophobicContact CB-CG2 4.36Å; L158-T207 HydrophobicContact CD2-CG2 4.49Å; L158-T207 WeakPolarHBondContact CD2-OG1 3.17Å; L158-T207 HydrophobicContact CG-CG2 4.34Å; L158-Y209 HydrophobicContact CD1-CE2 4.28Å; L158-Y209 HydrophobicContact CG-CE2 4.3Å
159G98.5Very high98.1Very high23 Ų2341.3 Ų41.324%0.23723%0.225CC..Hα-helixtrans-65.9-37.2174.500000113.6T155 R156 A157 G162T155-G159 PolarHBondContact O-N 3.12Å; R156-G159 PolarHBondContact O-N 3.43Å; R156-G159 VanDerWaalsContact O-N 3.15Å; A157-G159 VanDerWaalsContact C-N 3.33Å; A157-G159 PolarHBondContact O-N 2.9Å; G159-G162 PolarHBondContact O-N 3.36Å
160H98.6Very high98.2Very high34 Ų3437.6 Ų37.616%0.15720%0.198CC..Hα-helixtrans-65.4-47.6176.8-66.5167.9000112.1V119 H120 C121 P124 R156 A157 G162 K163V119-H160 WeakPolarHBondContact O-CB 3.43Å; V119-H160 PolarHBondContact O-ND1 3.36Å; H120-H160 PolarHBondContact O-CE1 3.37Å; H120-H160 VanDerWaalsContact O-CE1 3.29Å; C121-H160 PolarHBondContact O-ND1 3.17Å; P124-H160 HydrophobicContact CG-CB 3.85Å; R156-H160 PolarHBondContact O-CD2 2.85Å; R156-H160 VanDerWaalsContact O-CG 3.25Å; R156-H160 PolarHBondContact O-N 2.88Å; A157-H160 PolarHBondContact O-N 3.41Å; H160-G162 PolarHBondContact O-N 2.74Å; H160-K163 WeakPolarHBondContact O-CB 3.3Å; H160-K163 PolarHBondContact O-N 3.31Å; H160-K163 VanDerWaalsContact O-N 3.12Å
161I98.5Very high98.2Very high0 Ų034.3 Ų34.30%018%0.181CC..Hα-helixtrans-67-29.3178.268.9162.3000110.8I36 V119 P124 L138 L144 A157 L158 K163 L164 L171I36-I161 HydrophobicContact CG2-CG2 3.88Å; V119-I161 HydrophobicContact CB-CG2 4.11Å; V119-I161 HydrophobicContact CG1-CG2 3.77Å; P124-I161 HydrophobicContact CG-CG2 4.46Å; L138-I161 HydrophobicContact CD1-CB 4.43Å; L138-I161 VanDerWaalsContact CD1-O 3.28Å; L138-I161 WeakPolarHBondContact CD1-O 3.32Å; L144-I161 HydrophobicContact CD1-CD1 3.95Å; L144-I161 HydrophobicContact CD2-CD1 4.34Å; A157-I161 WeakPolarHBondContact O-CG2 3.38Å; A157-I161 PolarHBondContact O-N 3.42Å; L158-I161 HydrophobicContact CD1-CD1 4.24Å; L158-I161 HydrophobicContact CD1-CG1 4.46Å; L158-I161 VanDerWaalsContact O-CG1 3.23Å; L158-I161 WeakPolarHBondContact O-CG1 3.23Å; I161-K163 PolarHBondContact O-N 3.06Å; I161-K163 VanDerWaalsContact O-N 3.13Å; I161-L164 VanDerWaalsContact O-CB 3.22Å; I161-L164 WeakPolarHBondContact O-CB 3.2Å; I161-L164 WeakPolarHBondContact O-CG 3.5Å; I161-L164 PolarHBondContact O-N 3.19Å; I161-L171 HydrophobicContact CD1-CD1 4.45Å
162G97.9Very high98.1Very high6 Ų632 Ų326%0.06217%0.169CC..Hα-helixtrans-60.3-21.5173.800000114.2L158 G159 H160 L164 L165 Y209 K240L158-G162 PolarHBondContact O-N 3.28Å; G159-G162 PolarHBondContact O-N 3.36Å; H160-G162 PolarHBondContact O-N 2.74Å; G162-L164 PolarHBondContact O-N 2.97Å; G162-L165 PolarHBondContact O-N 2.54Å; G162-Y209 WeakPolarHBondContact CA-OH 3.33Å; G162-K240 PolarHBondContact O-NZ 2.94Å
163K96.5Very high97.9Very high122 Ų12228.7 Ų28.753%0.5315%0.147SC..THydrogen-bonded Turntrans-69-20.5171.9-60.7174.7-173.6174.30113.1S122 H160 I161 L165S122-K163 WeakPolarHBondContact O-CD 3.35Å; S122-K163 PolarHBondContact O-NZ 3.06Å; H160-K163 WeakPolarHBondContact O-CB 3.3Å; H160-K163 PolarHBondContact O-N 3.31Å; H160-K163 VanDerWaalsContact O-N 3.12Å; I161-K163 PolarHBondContact O-N 3.06Å; I161-K163 VanDerWaalsContact O-N 3.13Å; K163-L165 VanDerWaalsContact C-N 3.34Å
164L98.1Very high97.7Very high18 Ų1828.8 Ų28.89%0.09415%0.147CC..THydrogen-bonded Turntrans-82.6-14.6177.5-50.4-177.8000112.5I36 P124 V125 L130 G134 A135 L138 I161 G162I36-L164 HydrophobicContact CD1-CD1 3.78Å; P124-L164 HydrophobicContact CB-CD1 4.24Å; P124-L164 HydrophobicContact CG-CD1 4.43Å; V125-L164 HydrophobicContact CG1-CD1 4.36Å; V125-L164 HydrophobicContact CG2-CD1 4.25Å; V125-L164 HydrophobicContact CG2-CD2 3.68Å; L130-L164 HydrophobicContact CD1-CB 3.75Å; L130-L164 HydrophobicContact CD1-CD1 4.4Å; L130-L164 HydrophobicContact CD1-CD2 3.88Å; L130-L164 HydrophobicContact CD1-CG 4.21Å; G134-L164 CarbonylContact C-O 3.6Å; G134-L164 VanDerWaalsContact CA-O 3.31Å; G134-L164 WeakPolarHBondContact CA-O 3.48Å; A135-L164 PolarHBondContact N-O 2.86Å; L138-L164 HydrophobicContact CD1-CB 4.48Å; L138-L164 HydrophobicContact CD2-CB 4.37Å; I161-L164 VanDerWaalsContact O-CB 3.22Å; I161-L164 WeakPolarHBondContact O-CB 3.2Å; I161-L164 WeakPolarHBondContact O-CG 3.5Å; I161-L164 PolarHBondContact O-N 3.19Å; G162-L164 PolarHBondContact O-N 2.97Å
165L98.2Very high97.4Very high2 Ų228.8 Ų28.81%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-98.4135.5-178.6-173.653.6000110.6A135 L138 G162 K163 L171 Y209 K240A135-L165 WeakPolarHBondContact O-CD1 3.07Å; L138-L165 HydrophobicContact CD1-CB 3.8Å; L138-L165 HydrophobicContact CD1-CD2 4.37Å; L138-L165 HydrophobicContact CG-CB 3.94Å; L138-L165 HydrophobicContact CG-CD1 4.15Å; L138-L165 HydrophobicContact CG-CD2 4.27Å; L138-L165 HydrophobicContact CG-CG 4.35Å; G162-L165 PolarHBondContact O-N 2.54Å; K163-L165 VanDerWaalsContact C-N 3.34Å; L165-L171 HydrophobicContact CD2-CB 4.31Å; L165-Y209 HydrophobicContact CD2-CE1 3.81Å; L165-K240 HydrophobicContact CB-CD 4.1Å; L165-K240 HydrophobicContact CD2-CB 3.96Å; L165-K240 HydrophobicContact CG-CB 4.25Å; L165-K240 HydrophobicContact CG-CD 4.23Å; L165-K240 WeakPolarHBondContact O-CD 3.18Å; L165-K240 PolarHBondContact O-NZ 3.16Å
166R97.7Very high97.1Very high96 Ų9628.1 Ų28.136%0.36214%0.143SC..EExtended strand (participates in β ladder)trans-66.5152.6174.376.1-178.5-175.4159.6-9111.7T133 A135 D136 G168 G169T133-R166 VanDerWaalsContact O-CA 3.25Å; T133-R166 WeakPolarHBondContact O-CA 3.01Å; T133-R166 WeakPolarHBondContact O-CB 2.85Å; A135-R166 WeakPolarHBondContact O-CB 3.48Å; A135-R166 VanDerWaalsContact O-CG 3.29Å; A135-R166 WeakPolarHBondContact O-CG 3.39Å; A135-R166 PolarHBondContact O-N 2.83Å; D136-R166 WeakPolarHBondContact OD1-CD 3.29Å; D136-R166 IonicContact OD1-CZ 3.46Å; D136-R166 IonicContact OD1-NE 2.82Å; D136-R166 PolarHBondContact OD1-NE 2.82Å; D136-R166 IonicContact OD1-NH1 3.14Å; D136-R166 PolarHBondContact OD1-NH1 3.17Å; D136-R166 IonicContact OD1-NH2 3.59Å; D136-R166 PolarHBondContact OD1-NH2 2.68Å; D136-R166 VanDerWaalsContact OD1-NH2 3.14Å; R166-G168 PolarHBondContact O-N 2.9Å; R166-G169 WeakPolarHBondContact O-CA 3.18Å; R166-G169 PolarHBondContact O-N 3.25Å
167P97.4Very high96.8Very high93 Ų9322.3 Ų22.360%0.60412%0.122SC*.EExtended strand (participates in β ladder)trans-52.4133.7166.9-24.834.9000111.3G169P167-G169 PolarHBondContact O-N 2.85Å
168G97.1Very high96.6Very high24 Ų2423.8 Ų23.825%0.24714%0.137CC..EExtended strand (participates in β ladder)trans73.71.8-173.700000115.8R166 K239 K240R166-G168 PolarHBondContact O-N 2.9Å; G168-K239 WeakPolarHBondContact O-CE 3.47Å; G168-K240 WeakPolarHBondContact CA-O 3.37Å; G168-K240 PolarHBondContact N-O 3.04Å
169G97.6Very high96.3Very high1 Ų124.4 Ų24.41%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-72163.5171.600000112.7D136 R166 P167 K239 K240D136-G169 VanDerWaalsContact O-CA 3.3Å; D136-G169 WeakPolarHBondContact O-CA 3.42Å; R166-G169 WeakPolarHBondContact O-CA 3.18Å; R166-G169 PolarHBondContact O-N 3.25Å; P167-G169 PolarHBondContact O-N 2.85Å; G169-K239 WeakPolarHBondContact O-CA 3.37Å; G169-K240 PolarHBondContact O-N 3.32Å
170H97.7Very high96.1Very high30 Ų3025.4 Ų25.414%0.13914%0.144CC..EExtended strand (participates in β ladder)trans-102.1144.3-177.5-66.391.4000112.7V28 D136 C137 L138 M172 A238V28-H170 HydrophobicContact CG1-CB 4.34Å; V28-H170 HydrophobicContact CG2-CB 4.3Å; D136-H170 PolarHBondContact O-N 3.24Å; D136-H170 VanDerWaalsContact O-N 3.08Å; C137-H170 CarbonylContact C-O 3.52Å; C137-H170 VanDerWaalsContact CA-O 3.26Å; C137-H170 WeakPolarHBondContact CA-O 3.4Å; L138-H170 PolarHBondContact N-O 3.13Å; H170-M172 HydrophobicContact CB-CE 4.23Å; H170-A238 CarbonylContact C-O 3.56Å; H170-A238 WeakPolarHBondContact CA-O 3.44Å
171L98.1Very high95.8Very high0 Ų026.3 Ų26.30%015%0.146CC..EExtended strand (participates in β ladder)trans-113.8126168.7172.566000109L138 L158 I161 L165 L173 L204 Y209 K237 A238L138-L171 HydrophobicContact CB-CD1 3.8Å; L138-L171 CarbonylContact O-C 3.55Å; L138-L171 WeakPolarHBondContact O-CA 3.45Å; L158-L171 HydrophobicContact CD1-CD2 3.69Å; I161-L171 HydrophobicContact CD1-CD1 4.45Å; L165-L171 HydrophobicContact CD2-CB 4.31Å; L171-L173 HydrophobicContact CD1-CB 4.5Å; L171-L173 HydrophobicContact CD2-CB 4.38Å; L171-L173 HydrophobicContact CG-CB 4.25Å; L171-L204 HydrophobicContact CD2-CD2 3.84Å; L171-Y209 HydrophobicContact CB-CD1 4.24Å; L171-Y209 HydrophobicContact CB-CE1 3.76Å; L171-Y209 HydrophobicContact CD2-CD1 4.31Å; L171-Y209 HydrophobicContact CD2-CE1 3.88Å; L171-Y209 HydrophobicContact CD2-CE2 4.24Å; L171-Y209 HydrophobicContact CG-CE1 4.45Å; L171-K237 WeakPolarHBondContact O-CA 3.3Å; L171-A238 PolarHBondContact N-O 3.5Å; L171-A238 PolarHBondContact O-N 3.15Å
172M96.1Very high95.3Very high4 Ų428 Ų282%0.0215%0.152CC..EExtended strand (participates in β ladder)trans-105.7110.4165.5-55.9-59.316400108.3P22 F23 V28 L138 V139 S140 H170 F235 V236 K237P22-M172 HydrophobicContact CB-CE 3.51Å; P22-M172 HydrophobicContact CB-CG 4.44Å; P22-M172 HydrophobicContact CB-SD 3.49Å; P22-M172 WeakPolarHBondContact CB-SD 3.22Å; P22-M172 HydrophobicContact CG-SD 3.95Å; F23-M172 HydrophobicContact CZ-CG 4.49Å; V28-M172 HydrophobicContact CG2-CE 3.48Å; V28-M172 VanDerWaalsContact CG2-CE 3.48Å; L138-M172 PolarHBondContact O-N 3.29Å; V139-M172 CarbonylContact C-O 3.59Å; V139-M172 WeakPolarHBondContact CA-O 2.84Å; V139-M172 HydrophobicContact CG2-CB 4.13Å; V139-M172 HydrophobicContact CG2-CG 4.43Å; S140-M172 PolarHBondContact N-O 2.83Å; H170-M172 HydrophobicContact CB-CE 4.23Å; M172-F235 HydrophobicContact CB-CE2 4.4Å; M172-F235 HydrophobicContact SD-CE2 4Å; M172-F235 HydrophobicContact SD-CZ 3.79Å; M172-V236 CarbonylContact C-O 3.53Å; M172-V236 VanDerWaalsContact CA-O 3.31Å; M172-V236 WeakPolarHBondContact CA-O 3.37Å; M172-K237 HydrophobicContact CE-CB 4.32Å; M172-K237 HydrophobicContact CE-CD 3.79Å; M172-K237 HydrophobicContact CE-CG 3.62Å; M172-K237 HydrophobicContact SD-CB 3.83Å; M172-K237 HydrophobicContact SD-CD 4.35Å; M172-K237 HydrophobicContact SD-CG 3.79Å
173L96.3Very high94.7Very high1 Ų130.5 Ų30.51%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-117.2124.5-178.6-174.769000109.3S140 L144 F154 L158 L171 F234 F235 V236S140-L173 WeakPolarHBondContact O-CA 3.49Å; L144-L173 HydrophobicContact CD1-CD1 3.86Å; L144-L173 HydrophobicContact CG-CD1 4.32Å; F154-L173 HydrophobicContact CZ-CD2 4.34Å; L158-L173 HydrophobicContact CD1-CD2 4.42Å; L171-L173 HydrophobicContact CD1-CB 4.5Å; L171-L173 HydrophobicContact CD2-CB 4.38Å; L171-L173 HydrophobicContact CG-CB 4.25Å; L173-F234 HydrophobicContact CB-CE2 4.36Å; L173-F234 HydrophobicContact CD2-CE2 3.85Å; L173-F234 HydrophobicContact CD2-CZ 4.11Å; L173-F234 HydrophobicContact CG-CE2 3.75Å; L173-F234 HydrophobicContact CG-CZ 4.12Å; L173-F235 CarbonylContact O-C 3.58Å; L173-V236 HydrophobicContact CB-CB 4.2Å; L173-V236 PolarHBondContact N-O 3.08Å; L173-V236 PolarHBondContact O-N 3.25Å
174I93.6Very high93.8Very high3 Ų325.7 Ų25.72%0.01515%0.146CC..EExtended strand (participates in β ladder)trans-122.3134.1174.6-65.7167.1000107.6F18 F19 S140 C141 F142 V233 F234 F235F18-I174 HydrophobicContact CB-CD1 4.34Å; F19-I174 HydrophobicContact CD1-CD1 3.47Å; F19-I174 VanDerWaalsContact CD1-CD1 3.47Å; F19-I174 HydrophobicContact CD2-CD1 4.44Å; F19-I174 HydrophobicContact CE1-CD1 3.09Å; F19-I174 HydrophobicContact CE1-CG1 4.42Å; F19-I174 HydrophobicContact CE2-CD1 4.13Å; F19-I174 HydrophobicContact CG-CD1 4.17Å; F19-I174 HydrophobicContact CZ-CD1 3.45Å; F19-I174 VanDerWaalsContact CZ-CD1 3.45Å; F19-I174 HydrophobicContact CZ-CG2 4.27Å; S140-I174 PolarHBondContact O-N 3.12Å; C141-I174 CarbonylContact C-O 3.58Å; C141-I174 WeakPolarHBondContact CA-O 3.32Å; C141-I174 HydrophobicContact CB-CB 4.36Å; F142-I174 HydrophobicContact CE1-CG2 4.44Å; F142-I174 HydrophobicContact CE2-CG2 3.94Å; F142-I174 HydrophobicContact CZ-CG2 3.87Å; F142-I174 PolarHBondContact N-O 3.28Å; I174-V233 HydrophobicContact CG2-CG1 3.81Å; I174-F234 VanDerWaalsContact CA-O 3.31Å; I174-F234 WeakPolarHBondContact CA-O 3.22Å; I174-F235 HydrophobicContact CD1-CD2 3.89Å; I174-F235 HydrophobicContact CG1-CB 4.27Å; I174-F235 HydrophobicContact CG1-CD2 3.65Å; I174-F235 HydrophobicContact CG1-CG 4.46Å
175G92.6Very high92.8Very high0 Ų025 Ų250%014%0.144CC..EExtended strand (participates in β ladder)trans-162.2174.4178.600000113.3E145 V233 F234E145-G175 WeakPolarHBondContact OE1-CA 3.2Å; G175-V233 WeakPolarHBondContact O-CA 3.49Å; G175-V233 WeakPolarHBondContact O-CG1 3.47Å; G175-F234 VanDerWaalsContact C-CD1 3.49Å; G175-F234 PolarHBondContact N-O 3.06Å; G175-F234 WeakPolarHBondContact O-CD1 2.92Å; G175-F234 PolarHBondContact O-N 3.11Å
176A92.2Very high91.9Very high2 Ų230.5 Ų30.52%0.01718%0.18CC..EExtended strand (participates in β ladder)trans-83.3144.2-179.300000112.5F142 E145 E179 V230F142-A176 HydrophobicContact CD1-CB 4.42Å; E145-A176 HydrophobicContact CG-CB 4.42Å; E145-A176 PolarHBondContact OE1-N 2.69Å; A176-E179 HydrophobicContact CB-CB 3.66Å; A176-E179 HydrophobicContact CB-CG 4.35Å; A176-E179 VanDerWaalsContact CB-OE2 3.24Å; A176-E179 WeakPolarHBondContact CB-OE2 3.27Å; A176-V230 HydrophobicContact CB-CG2 3.68Å
177L93.6Very high91.1Very high10 Ų1029.7 Ų29.75%0.05220%0.202CC..EExtended strand (participates in β ladder)trans-110133.2171-65.9176.8000110.4E179 L195 E197 V200 V216 T231 G232 F234L177-E179 PolarHBondContact O-N 3.34Å; L177-E179 VanDerWaalsContact O-N 3.14Å; L177-L195 WeakPolarHBondContact CA-O 3.3Å; L177-E197 HydrophobicContact CD1-CG 3.77Å; L177-E197 HydrophobicContact CD2-CG 4.45Å; L177-V200 HydrophobicContact CD2-CG2 4.49Å; L177-V216 HydrophobicContact CD1-CG1 3.6Å; L177-V216 HydrophobicContact CD1-CG2 4.11Å; L177-T231 PolarHBondContact O-N 3.38Å; L177-T231 VanDerWaalsContact O-N 3.1Å; L177-T231 PolarHBondContact O-OG1 3.38Å; L177-G232 PolarHBondContact N-O 3.18Å; L177-G232 PolarHBondContact O-N 3.27Å; L177-F234 HydrophobicContact CD1-CB 4.2Å; L177-F234 HydrophobicContact CD2-CB 4.38Å; L177-F234 HydrophobicContact CD2-CD1 3.68Å; L177-F234 HydrophobicContact CD2-CE1 4.46Å; L177-F234 HydrophobicContact CD2-CG 4.41Å; L177-F234 HydrophobicContact CG-CB 4.23Å; L177-F234 HydrophobicContact CG-CD1 3.93Å
178G92.9Very high90.6Very high31 Ų3129 Ų2932%0.3220%0.196SC..SBendtrans64.29.2179.400000115.2L195G178-L195 PolarHBondContact N-O 2.86Å
179E93.1Very high90.3Very high13 Ų1334.5 Ų34.56%0.06121%0.209CC..  trans-76.1131176.4-173.8178.1-120.300110.2A176 L177 Y181 V192 P194 D228 V230A176-E179 HydrophobicContact CB-CB 3.66Å; A176-E179 HydrophobicContact CB-CG 4.35Å; A176-E179 VanDerWaalsContact CB-OE2 3.24Å; A176-E179 WeakPolarHBondContact CB-OE2 3.27Å; L177-E179 PolarHBondContact O-N 3.34Å; L177-E179 VanDerWaalsContact O-N 3.14Å; E179-Y181 WeakPolarHBondContact CG-O 3.44Å; E179-V192 HydrophobicContact CB-CG1 4.26Å; E179-V192 HydrophobicContact CG-CB 4.2Å; E179-V192 HydrophobicContact CG-CG1 4.26Å; E179-V192 HydrophobicContact CG-CG2 4.19Å; E179-P194 WeakPolarHBondContact O-CA 3.48Å; E179-P194 WeakPolarHBondContact O-CB 3.39Å; E179-D228 VanDerWaalsContact OE1-CB 3.31Å; E179-D228 WeakPolarHBondContact OE1-CB 3.41Å; E179-V230 HydrophobicContact CB-CB 4.01Å; E179-V230 HydrophobicContact CB-CG2 4.21Å; E179-V230 HydrophobicContact CG-CB 4.18Å
180S93.8Very high89.9Confident44 Ų4436.7 Ų36.731%0.30822%0.22SC..  trans-110.4-15.5174.581.10000112.7V192 D229S180-V192 PolarHBondContact O-N 3.49Å; S180-D229 WeakPolarHBondContact CB-OD2 3.48Å; S180-D229 PolarHBondContact N-OD1 2.79Å; S180-D229 PolarHBondContact N-OD2 2.76Å; S180-D229 PolarHBondContact OG-OD2 3.29Å
181Y92.7Very high89.7Confident52 Ų5239.8 Ų39.820%0.20424%0.243CC..EExtended strand (participates in β ladder)trans-160.5159.9173.271.8-82.9000113.7E179 F183 R189 I190 D228 D229E179-Y181 WeakPolarHBondContact CG-O 3.44Å; Y181-F183 HydrophobicContact CD2-CE2 4.3Å; Y181-F183 HydrophobicContact CE2-CD2 4.24Å; Y181-F183 AromaticContact CE2-CE2 3.78Å; Y181-F183 HydrophobicContact CE2-CE2 3.78Å; Y181-F183 HydrophobicContact CE2-CZ 4.47Å; Y181-R189 HydrophobicContact CD2-CG 3.88Å; Y181-R189 HydrophobicContact CG-CG 4.16Å; Y181-R189 VanDerWaalsContact CG-CZ 3.5Å; Y181-R189 VanDerWaalsContact CG-NH2 3.27Å; Y181-I190 WeakPolarHBondContact CA-O 3.38Å; Y181-I190 WeakPolarHBondContact CB-O 3.18Å; Y181-D228 WeakPolarHBondContact O-CA 3.43Å; Y181-D228 WeakPolarHBondContact O-CB 3.45Å; Y181-D229 HydrophobicContact CD1-CB 4.15Å; Y181-D229 VanDerWaalsContact CD1-CG 3.48Å; Y181-D229 WeakPolarHBondContact CD1-OD2 3.49Å; Y181-D229 HydrophobicContact CE1-CB 3.59Å; Y181-D229 VanDerWaalsContact CE1-CG 3.44Å; Y181-D229 WeakPolarHBondContact CE1-OD2 3.39Å; Y181-D229 PolarHBondContact N-OD1 3.34Å
182Y88.3Confident89.5Confident36 Ų3640.3 Ų40.314%0.14125%0.246CC..EExtended strand (participates in β ladder)trans-139.9165161.775.1-79.8000111.6F4 I190 V192 V227F4-Y182 AromaticContact CD2-CD2 3.54Å; F4-Y182 HydrophobicContact CD2-CD2 3.54Å; F4-Y182 AromaticContact CD2-CE2 3.61Å; F4-Y182 HydrophobicContact CD2-CE2 3.61Å; F4-Y182 AromaticContact CE2-CD2 3.69Å; F4-Y182 HydrophobicContact CE2-CD2 3.69Å; F4-Y182 AromaticContact CE2-CE2 3.57Å; F4-Y182 HydrophobicContact CE2-CE2 3.57Å; F4-Y182 HydrophobicContact CE2-CG 4.47Å; F4-Y182 HydrophobicContact CZ-CE2 4.46Å; Y182-I190 HydrophobicContact CD1-CB 4.03Å; Y182-I190 HydrophobicContact CD1-CG2 4.26Å; Y182-I190 HydrophobicContact CE1-CB 3.6Å; Y182-I190 HydrophobicContact CE1-CD1 4.15Å; Y182-I190 HydrophobicContact CE1-CG1 4.45Å; Y182-I190 HydrophobicContact CE1-CG2 3.49Å; Y182-I190 VanDerWaalsContact CE1-CG2 3.49Å; Y182-I190 HydrophobicContact CE2-CD1 3.81Å; Y182-I190 VanDerWaalsContact CZ-CD1 3.49Å; Y182-I190 PolarHBondContact N-O 3.08Å; Y182-I190 PolarHBondContact O-N 2.84Å; Y182-I190 VanDerWaalsContact OH-CD1 3.3Å; Y182-I190 WeakPolarHBondContact OH-CD1 3.32Å; Y182-V192 HydrophobicContact CD1-CG2 3.58Å; Y182-V192 HydrophobicContact CE1-CG2 4.07Å; Y182-V227 CarbonylContact C-O 3.56Å; Y182-V227 WeakPolarHBondContact CA-O 3.26Å
183F84.9Confident89.5Confident59 Ų5940.8 Ų40.826%0.25925%0.249SC..EExtended strand (participates in β ladder)trans-97.2105.9174.2-73.2-76.9000112.2Y181 G185 V188 R189 V227Y181-F183 HydrophobicContact CD2-CE2 4.3Å; Y181-F183 HydrophobicContact CE2-CD2 4.24Å; Y181-F183 AromaticContact CE2-CE2 3.78Å; Y181-F183 HydrophobicContact CE2-CE2 3.78Å; Y181-F183 HydrophobicContact CE2-CZ 4.47Å; F183-G185 PolarHBondContact O-N 3.36Å; F183-V188 CarbonylContact C-O 3.57Å; F183-V188 WeakPolarHBondContact CA-O 3.43Å; F183-R189 HydrophobicContact CD1-CB 4.07Å; F183-R189 HydrophobicContact CE1-CB 3.74Å; F183-R189 HydrophobicContact CE1-CG 4.24Å; F183-R189 HydrophobicContact CZ-CB 4.43Å; F183-R189 HydrophobicContact CZ-CG 4.49Å; F183-V227 VanDerWaalsContact CD2-O 3.31Å; F183-V227 WeakPolarHBondContact CD2-O 3.4Å; F183-V227 PolarHBondContact N-O 3.1Å
184G77Confident89.6Confident20 Ų2044 Ų4421%0.20627%0.27CS..EExtended strand (participates in β ladder)trans-71.9-15.4174.900000114M1 V188M1-G184 PolarHBondContact N-O 3.33Å; G184-V188 PolarHBondContact N-O 3.4Å
185G77.5Confident89.7Confident5 Ų544.1 Ų44.15%0.05227%0.271CS..EExtended strand (participates in β ladder)trans-178.5177.4177.200000111.6F183 G187 V188F183-G185 PolarHBondContact O-N 3.36Å; G185-G187 PolarHBondContact O-N 3.26Å; G185-G187 VanDerWaalsContact O-N 3.08Å; G185-V188 PolarHBondContact O-N 3.47Å
186P79.1Confident89.9Confident116 Ų11647.8 Ų47.875%0.75329%0.29SS*.THydrogen-bonded Turntrans-52.8118.2176-25.435000111.1V188P186-V188 PolarHBondContact O-N 3.44Å
187G82.4Confident90.1Very high80 Ų8052 Ų5283%0.82531%0.31SS*.THydrogen-bonded Turntrans73.70.3-18000000116.2G185G185-G187 PolarHBondContact O-N 3.26Å; G185-G187 VanDerWaalsContact O-N 3.08Å
188V86Confident90.3Very high79 Ų7954.8 Ų54.848%0.47933%0.334SS..EExtended strand (participates in β ladder)trans-102.191.6-178.8-175.40000109.3F183 G184 G185 P186 I190F183-V188 CarbonylContact C-O 3.57Å; F183-V188 WeakPolarHBondContact CA-O 3.43Å; G184-V188 PolarHBondContact N-O 3.4Å; G185-V188 PolarHBondContact O-N 3.47Å; P186-V188 PolarHBondContact O-N 3.44Å; V188-I190 HydrophobicContact CG1-CD1 4.34Å; V188-I190 HydrophobicContact CG1-CG1 4.07Å
189R90.4Very high90.6Very high139 Ų13956.1 Ų56.153%0.52533%0.332SS..EExtended strand (participates in β ladder)trans-88.9117.5173.9-173.8175.1178.5-93.32.2109.5Y181 F183Y181-R189 HydrophobicContact CD2-CG 3.88Å; Y181-R189 HydrophobicContact CG-CG 4.16Å; Y181-R189 VanDerWaalsContact CG-CZ 3.5Å; Y181-R189 VanDerWaalsContact CG-NH2 3.27Å; F183-R189 HydrophobicContact CD1-CB 4.07Å; F183-R189 HydrophobicContact CE1-CB 3.74Å; F183-R189 HydrophobicContact CE1-CG 4.24Å; F183-R189 HydrophobicContact CZ-CB 4.43Å; F183-R189 HydrophobicContact CZ-CG 4.49Å
190I88.7Confident90.9Very high46 Ų4655.5 Ų55.524%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-102.7125.6-178-61.2173.1000107.7Y181 Y182 V188Y181-I190 WeakPolarHBondContact CA-O 3.38Å; Y181-I190 WeakPolarHBondContact CB-O 3.18Å; Y182-I190 HydrophobicContact CD1-CB 4.03Å; Y182-I190 HydrophobicContact CD1-CG2 4.26Å; Y182-I190 HydrophobicContact CE1-CB 3.6Å; Y182-I190 HydrophobicContact CE1-CD1 4.15Å; Y182-I190 HydrophobicContact CE1-CG1 4.45Å; Y182-I190 HydrophobicContact CE1-CG2 3.49Å; Y182-I190 VanDerWaalsContact CE1-CG2 3.49Å; Y182-I190 HydrophobicContact CE2-CD1 3.81Å; Y182-I190 VanDerWaalsContact CZ-CD1 3.49Å; Y182-I190 PolarHBondContact N-O 3.08Å; Y182-I190 PolarHBondContact O-N 2.84Å; Y182-I190 VanDerWaalsContact OH-CD1 3.3Å; Y182-I190 WeakPolarHBondContact OH-CD1 3.32Å; V188-I190 HydrophobicContact CG1-CD1 4.34Å; V188-I190 HydrophobicContact CG1-CG1 4.07Å
191P93.8Very high91.1Very high96 Ų9655.3 Ų55.362%0.62333%0.327SS*.EExtended strand (participates in β ladder)trans-72.1144.917530.8-33.6000110.8
192V94.3Very high91.4Very high11 Ų1156.6 Ų56.67%0.06734%0.335CS..  trans-125.1142.1178-179.30000107.9E145 E179 S180 Y182 P194E145-V192 HydrophobicContact CB-CG1 4.17Å; E145-V192 HydrophobicContact CG-CG1 3.74Å; E179-V192 HydrophobicContact CB-CG1 4.26Å; E179-V192 HydrophobicContact CG-CB 4.2Å; E179-V192 HydrophobicContact CG-CG1 4.26Å; E179-V192 HydrophobicContact CG-CG2 4.19Å; S180-V192 PolarHBondContact O-N 3.49Å; Y182-V192 HydrophobicContact CD1-CG2 3.58Å; Y182-V192 HydrophobicContact CE1-CG2 4.07Å; V192-P194 VanDerWaalsContact O-CD 3.28Å; V192-P194 WeakPolarHBondContact O-CD 3.32Å
193V96.6Very high91.8Very high13 Ų1355 Ų558%0.07933%0.329CS..  trans-73.8118.9170.355.90000109.1E145 S148 F154 L195E145-V193 HydrophobicContact CB-CG1 4.2Å; E145-V193 WeakPolarHBondContact O-CG1 3.49Å; E145-V193 PolarHBondContact O-N 3.08Å; E145-V193 VanDerWaalsContact O-N 3.16Å; S148-V193 WeakPolarHBondContact O-CB 3.41Å; S148-V193 WeakPolarHBondContact O-CG1 3.45Å; F154-V193 HydrophobicContact CB-CG1 4.39Å; V193-L195 HydrophobicContact CG1-CD2 4.32Å; V193-L195 HydrophobicContact CG1-CG 4.38Å; V193-L195 HydrophobicContact CG2-CD2 4.2Å; V193-L195 PolarHBondContact O-N 3.2Å
194P97.1Very high92.5Very high70 Ų7052.2 Ų52.246%0.45532%0.317SS..  trans-71.3116.617827.8-33.1000109.8E179 V192E179-P194 WeakPolarHBondContact O-CA 3.48Å; E179-P194 WeakPolarHBondContact O-CB 3.39Å; V192-P194 VanDerWaalsContact O-CD 3.28Å; V192-P194 WeakPolarHBondContact O-CD 3.32Å
195L97.6Very high93.5Very high5 Ų558.6 Ų58.63%0.02634%0.335CS..  trans-104.5151.3177.3-60.8175.2000111.3E145 L151 F154 L177 G178 V193 V200E145-L195 HydrophobicContact CB-CD1 3.7Å; E145-L195 HydrophobicContact CB-CG 4.4Å; L151-L195 HydrophobicContact CD1-CD2 3.81Å; F154-L195 HydrophobicContact CD1-CD1 4.2Å; F154-L195 HydrophobicContact CD1-CD2 4.43Å; F154-L195 HydrophobicContact CD2-CD1 3.66Å; F154-L195 HydrophobicContact CE1-CD1 4.01Å; F154-L195 HydrophobicContact CE2-CD1 3.42Å; F154-L195 VanDerWaalsContact CE2-CD1 3.42Å; F154-L195 HydrophobicContact CG-CD1 4.04Å; F154-L195 HydrophobicContact CG-CD2 4.42Å; F154-L195 HydrophobicContact CZ-CD1 3.62Å; L177-L195 WeakPolarHBondContact CA-O 3.3Å; G178-L195 PolarHBondContact N-O 2.86Å; V193-L195 HydrophobicContact CG1-CD2 4.32Å; V193-L195 HydrophobicContact CG1-CG 4.38Å; V193-L195 HydrophobicContact CG2-CD2 4.2Å; V193-L195 PolarHBondContact O-N 3.2Å; L195-V200 HydrophobicContact CB-CG2 4.26Å; L195-V200 HydrophobicContact CD1-CG2 4.22Å
196N97Very high94.5Very high77 Ų7764 Ų6441%0.41236%0.359SS..  trans-112.7167.7162.468.651.2000111.2A198 Q199 V200N196-A198 VanDerWaalsContact C-N 3.33Å; N196-A198 PolarHBondContact O-N 3.33Å; N196-A198 WeakPolarHBondContact OD1-CB 3.49Å; N196-A198 PolarHBondContact OD1-N 2.97Å; N196-A198 VanDerWaalsContact OD1-N 3.11Å; N196-Q199 PolarHBondContact ND2-OE1 3.17Å; N196-Q199 PolarHBondContact O-N 3.08Å; N196-Q199 WeakPolarHBondContact OD1-CG 3.27Å; N196-Q199 PolarHBondContact OD1-N 3.42Å; N196-V200 PolarHBondContact O-N 3.26Å; N196-V200 VanDerWaalsContact O-N 3.17Å
197E96.2Very high95.4Very high91 Ų9160 Ų6043%0.42533%0.332SS..Hα-helixtrans-56.6-44-177.1-60.2176.8-148.500112.9L177 Q199 V200 C201 L214 V216L177-E197 HydrophobicContact CD1-CG 3.77Å; L177-E197 HydrophobicContact CD2-CG 4.45Å; E197-Q199 VanDerWaalsContact C-N 3.32Å; E197-Q199 PolarHBondContact O-N 3.11Å; E197-V200 PolarHBondContact O-N 3.22Å; E197-C201 PolarHBondContact O-N 2.92Å; E197-C201 PolarHBondContact O-SG 2.96Å; E197-C201 VanDerWaalsContact O-SG 3.41Å; E197-L214 HydrophobicContact CB-CD2 4.48Å; E197-V216 HydrophobicContact CG-CG2 3.81Å
198A97.9Very high96.1Very high68 Ų6857.3 Ų57.356%0.56230%0.304SS*.Hα-helixtrans-63.6-38.9-178.800000111.9N196 C201 E202N196-A198 VanDerWaalsContact C-N 3.33Å; N196-A198 PolarHBondContact O-N 3.33Å; N196-A198 WeakPolarHBondContact OD1-CB 3.49Å; N196-A198 PolarHBondContact OD1-N 2.97Å; N196-A198 VanDerWaalsContact OD1-N 3.11Å; A198-C201 PolarHBondContact O-N 2.89Å; A198-E202 VanDerWaalsContact O-CB 3.3Å; A198-E202 WeakPolarHBondContact O-CB 3.33Å; A198-E202 PolarHBondContact O-N 3.49Å
199Q98.5Very high96.7Very high58 Ų5853.9 Ų53.927%0.27128%0.283SS..Hα-helixtrans-66.2-37.2176.1-71.6169.3-37.200112.4L151 N196 E197 S203L151-Q199 HydrophobicContact CD1-CB 3.98Å; L151-Q199 HydrophobicContact CD1-CG 4.42Å; L151-Q199 HydrophobicContact CD2-CB 4.29Å; L151-Q199 HydrophobicContact CD2-CG 3.86Å; N196-Q199 PolarHBondContact ND2-OE1 3.17Å; N196-Q199 PolarHBondContact O-N 3.08Å; N196-Q199 WeakPolarHBondContact OD1-CG 3.27Å; N196-Q199 PolarHBondContact OD1-N 3.42Å; E197-Q199 VanDerWaalsContact C-N 3.32Å; E197-Q199 PolarHBondContact O-N 3.11Å; Q199-S203 WeakPolarHBondContact O-CB 3.27Å; Q199-S203 PolarHBondContact O-N 3.32Å; Q199-S203 PolarHBondContact O-OG 2.88Å
200V98.3Very high97.1Very high1 Ų151.1 Ų51.11%0.00628%0.282CS..Hα-helixtrans-65.1-49.1174.5175.70000110.2L177 L195 N196 E197 E202 S203 L204 F234 V236L177-V200 HydrophobicContact CD2-CG2 4.49Å; L195-V200 HydrophobicContact CB-CG2 4.26Å; L195-V200 HydrophobicContact CD1-CG2 4.22Å; N196-V200 PolarHBondContact O-N 3.26Å; N196-V200 VanDerWaalsContact O-N 3.17Å; E197-V200 PolarHBondContact O-N 3.22Å; V200-E202 PolarHBondContact O-N 2.94Å; V200-S203 PolarHBondContact O-N 3.09Å; V200-L204 HydrophobicContact CG1-CD1 4.1Å; V200-L204 WeakPolarHBondContact O-CD1 3.49Å; V200-L204 WeakPolarHBondContact O-CG 3.31Å; V200-L204 PolarHBondContact O-N 3.01Å; V200-L204 VanDerWaalsContact O-N 3.08Å; V200-F234 HydrophobicContact CG1-CD2 4.1Å; V200-F234 HydrophobicContact CG1-CE2 3.82Å; V200-F234 HydrophobicContact CG1-CZ 4.14Å; V200-F234 HydrophobicContact CG2-CD1 4.18Å; V200-F234 HydrophobicContact CG2-CE1 3.9Å; V200-F234 HydrophobicContact CG2-CE2 4.46Å; V200-F234 HydrophobicContact CG2-CZ 4.05Å; V200-V236 HydrophobicContact CG1-CG2 4.06Å
201C98.3Very high97.5Very high40 Ų4052.4 Ų52.427%0.2729%0.288SS..Hα-helixtrans-59.6-44.7177.5-69.30000112.6E197 A198 L204 R205E197-C201 PolarHBondContact O-N 2.92Å; E197-C201 PolarHBondContact O-SG 2.96Å; E197-C201 VanDerWaalsContact O-SG 3.41Å; A198-C201 PolarHBondContact O-N 2.89Å; C201-L204 PolarHBondContact O-N 3.18Å; C201-R205 PolarHBondContact O-N 3.24Å; C201-R205 VanDerWaalsContact O-N 3.09Å
202E98.6Very high97.6Very high78 Ų7851.8 Ų51.836%0.36428%0.279SS..Hα-helixtrans-66-42.1179.9-173.368.2169.700111.3A198 V200 L204 R205 E206A198-E202 VanDerWaalsContact O-CB 3.3Å; A198-E202 WeakPolarHBondContact O-CB 3.33Å; A198-E202 PolarHBondContact O-N 3.49Å; V200-E202 PolarHBondContact O-N 2.94Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 3.37Å; E202-R205 VanDerWaalsContact CD-NH2 3.25Å; E202-R205 PolarHBondContact O-N 3.07Å; E202-R205 IonicContact OE1-CZ 3.1Å; E202-R205 IonicContact OE1-NE 3.78Å; E202-R205 IonicContact OE1-NH2 2.63Å; E202-R205 PolarHBondContact OE1-NH2 3.36Å; E202-R205 IonicContact OE2-CZ 2.74Å; E202-R205 IonicContact OE2-NE 2.86Å; E202-R205 PolarHBondContact OE2-NE 2.77Å; E202-R205 IonicContact OE2-NH2 3.23Å; E202-R205 PolarHBondContact OE2-NH2 3.02Å; E202-E206 HydrophobicContact CG-CG 4.37Å; E202-E206 WeakPolarHBondContact O-CB 3.15Å; E202-E206 WeakPolarHBondContact O-CG 3.41Å; E202-E206 PolarHBondContact O-N 3.06Å
203S98.7Very high97.5Very high2 Ų254.7 Ų54.71%0.01429%0.289CS..Hα-helixtrans-61.4-38.7176.6-62.10000112.4T155 Q199 V200 T207T155-S203 PolarHBondContact OG1-OG 2.84Å; Q199-S203 WeakPolarHBondContact O-CB 3.27Å; Q199-S203 PolarHBondContact O-N 3.32Å; Q199-S203 PolarHBondContact O-OG 2.88Å; V200-S203 PolarHBondContact O-N 3.09Å; S203-T207 WeakPolarHBondContact O-CB 3.4Å; S203-T207 VanDerWaalsContact O-CG2 3.31Å; S203-T207 WeakPolarHBondContact O-CG2 3.29Å; S203-T207 PolarHBondContact O-N 3.07Å; S203-T207 VanDerWaalsContact O-N 3.12Å; S203-T207 PolarHBondContact O-OG1 3.5Å
204L98.6Very high97.4Very high1 Ų156.4 Ų56.41%0.00530%0.298CS..Hα-helixtrans-62.5-47.6174.7-72.4159000110.9L158 L171 V200 C201 E202 E206 T207 G208 Y209 L211 V236 A238L158-L204 HydrophobicContact CD1-CD2 4.46Å; L158-L204 HydrophobicContact CD2-CD2 4Å; L158-L204 HydrophobicContact CD2-CG 4.17Å; L171-L204 HydrophobicContact CD2-CD2 3.84Å; V200-L204 HydrophobicContact CG1-CD1 4.1Å; V200-L204 WeakPolarHBondContact O-CD1 3.49Å; V200-L204 WeakPolarHBondContact O-CG 3.31Å; V200-L204 PolarHBondContact O-N 3.01Å; V200-L204 VanDerWaalsContact O-N 3.08Å; C201-L204 PolarHBondContact O-N 3.18Å; E202-L204 VanDerWaalsContact C-N 3.31Å; E202-L204 PolarHBondContact O-N 3.37Å; L204-E206 PolarHBondContact O-N 3.28Å; L204-T207 PolarHBondContact O-N 3.43Å; L204-T207 PolarHBondContact O-OG1 3.16Å; L204-G208 PolarHBondContact O-N 3.47Å; L204-Y209 HydrophobicContact CD2-CD2 4.23Å; L204-Y209 HydrophobicContact CD2-CG 4.23Å; L204-Y209 WeakPolarHBondContact O-CB 3.36Å; L204-Y209 PolarHBondContact O-N 3Å; L204-L211 HydrophobicContact CD1-CD1 4.21Å; L204-V236 HydrophobicContact CD1-CB 4.4Å; L204-V236 HydrophobicContact CD1-CG1 3.61Å; L204-V236 HydrophobicContact CD1-CG2 4Å; L204-V236 HydrophobicContact CD2-CG1 4.23Å; L204-A238 HydrophobicContact CD2-CB 4.07Å
205R98.3Very high97.1Very high154 Ų15455.9 Ų55.958%0.58129%0.289SS*.Hα-helixtrans-61.5-46.1179.1-171.6-176.272.279.1-1.9111.7C201 E202 T207 G208C201-R205 PolarHBondContact O-N 3.24Å; C201-R205 VanDerWaalsContact O-N 3.09Å; E202-R205 VanDerWaalsContact CD-NH2 3.25Å; E202-R205 PolarHBondContact O-N 3.07Å; E202-R205 IonicContact OE1-CZ 3.1Å; E202-R205 IonicContact OE1-NE 3.78Å; E202-R205 IonicContact OE1-NH2 2.63Å; E202-R205 PolarHBondContact OE1-NH2 3.36Å; E202-R205 IonicContact OE2-CZ 2.74Å; E202-R205 IonicContact OE2-NE 2.86Å; E202-R205 PolarHBondContact OE2-NE 2.77Å; E202-R205 IonicContact OE2-NH2 3.23Å; E202-R205 PolarHBondContact OE2-NH2 3.02Å; R205-T207 PolarHBondContact O-N 3.11Å; R205-G208 PolarHBondContact O-N 2.63Å
206E98.3Very high96.8Very high118 Ų11858.1 Ų58.155%0.55130%0.303SS*.Hα-helixtrans-63.5-27.3178.5-73.9-176.4174.100113T155 E202 L204T155-E206 HydrophobicContact CG2-CB 4.36Å; T155-E206 WeakPolarHBondContact CG2-OE2 3.13Å; E202-E206 HydrophobicContact CG-CG 4.37Å; E202-E206 WeakPolarHBondContact O-CB 3.15Å; E202-E206 WeakPolarHBondContact O-CG 3.41Å; E202-E206 PolarHBondContact O-N 3.06Å; L204-E206 PolarHBondContact O-N 3.28Å
207T98.1Very high96.3Very high33 Ų3357.4 Ų57.420%0.20230%0.295CS..THydrogen-bonded Turntrans-97.712.7-178.255.40000113.8T155 L158 S203 L204 R205 Y209T155-T207 HydrophobicContact CG2-CG2 3.93Å; T155-T207 VanDerWaalsContact O-CG2 3.28Å; T155-T207 WeakPolarHBondContact O-CG2 3.43Å; L158-T207 HydrophobicContact CB-CG2 4.36Å; L158-T207 HydrophobicContact CD2-CG2 4.49Å; L158-T207 WeakPolarHBondContact CD2-OG1 3.17Å; L158-T207 HydrophobicContact CG-CG2 4.34Å; S203-T207 WeakPolarHBondContact O-CB 3.4Å; S203-T207 VanDerWaalsContact O-CG2 3.31Å; S203-T207 WeakPolarHBondContact O-CG2 3.29Å; S203-T207 PolarHBondContact O-N 3.07Å; S203-T207 VanDerWaalsContact O-N 3.12Å; S203-T207 PolarHBondContact O-OG1 3.5Å; L204-T207 PolarHBondContact O-N 3.43Å; L204-T207 PolarHBondContact O-OG1 3.16Å; R205-T207 PolarHBondContact O-N 3.11Å; T207-Y209 VanDerWaalsContact OG1-CD2 3.31Å; T207-Y209 WeakPolarHBondContact OG1-CD2 3.29Å
208G97.9Very high95.9Very high23 Ų2358.1 Ų58.124%0.23731%0.305CS..THydrogen-bonded Turntrans78.937.6173.400000113.7L204 R205 D241L204-G208 PolarHBondContact O-N 3.47Å; R205-G208 PolarHBondContact O-N 2.63Å; G208-D241 VanDerWaalsContact O-CG 3.31Å; G208-D241 PolarHBondContact O-N 2.89Å
209Y98.5Very high95.1Very high8 Ų855.1 Ų55.13%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-114.5134.1171.9-66.3-86.8000112L158 G162 L165 L171 L204 T207 A238 K239 K240L158-Y209 HydrophobicContact CD1-CE2 4.28Å; L158-Y209 HydrophobicContact CG-CE2 4.3Å; G162-Y209 WeakPolarHBondContact CA-OH 3.33Å; L165-Y209 HydrophobicContact CD2-CE1 3.81Å; L171-Y209 HydrophobicContact CB-CD1 4.24Å; L171-Y209 HydrophobicContact CB-CE1 3.76Å; L171-Y209 HydrophobicContact CD2-CD1 4.31Å; L171-Y209 HydrophobicContact CD2-CE1 3.88Å; L171-Y209 HydrophobicContact CD2-CE2 4.24Å; L171-Y209 HydrophobicContact CG-CE1 4.45Å; L204-Y209 HydrophobicContact CD2-CD2 4.23Å; L204-Y209 HydrophobicContact CD2-CG 4.23Å; L204-Y209 WeakPolarHBondContact O-CB 3.36Å; L204-Y209 PolarHBondContact O-N 3Å; T207-Y209 VanDerWaalsContact OG1-CD2 3.31Å; T207-Y209 WeakPolarHBondContact OG1-CD2 3.29Å; Y209-A238 HydrophobicContact CD1-CB 4.21Å; Y209-A238 HydrophobicContact CG-CB 4.43Å; Y209-K239 CarbonylContact C-O 3.55Å; Y209-K239 WeakPolarHBondContact CA-O 3.32Å; Y209-K240 HydrophobicContact CD1-CB 4.11Å; Y209-K240 HydrophobicContact CE1-CB 3.94Å
210T97.9Very high94.2Very high81 Ų8154.7 Ų54.750%0.49728%0.282SS..EExtended strand (participates in β ladder)trans-86.3118.4164.4-64.90000109.8I212 A238 K239 D241T210-I212 PolarHBondContact O-N 3.37Å; T210-A238 CarbonylContact O-C 3.58Å; T210-A238 WeakPolarHBondContact O-CA 3.23Å; T210-K239 PolarHBondContact N-O 3.46Å; T210-K239 PolarHBondContact O-N 3.24Å; T210-D241 PolarHBondContact N-OD1 2.66Å; T210-D241 PolarHBondContact OG1-OD1 3.2Å
211L97.1Very high93.2Very high72 Ų7262.6 Ų62.638%0.37732%0.319SS..EExtended strand (participates in β ladder)trans-68.1126.9175.3-178.566.8000110.6L204 L214 V236L204-L211 HydrophobicContact CD1-CD1 4.21Å; L211-L214 HydrophobicContact CD1-CB 4.32Å; L211-L214 HydrophobicContact CD2-CB 4.23Å; L211-V236 HydrophobicContact CD1-CG1 3.88Å; L211-V236 HydrophobicContact CD1-CG2 4.28Å
212I95.1Very high92.2Very high84 Ų8466.6 Ų66.643%0.43134%0.337SS..EExtended strand (participates in β ladder)trans-101.1-45175.8-66172.5000110.6T210 K237 K239T210-I212 PolarHBondContact O-N 3.37Å; I212-K237 WeakPolarHBondContact CA-O 3.49Å; I212-K237 HydrophobicContact CB-CB 4.46Å; I212-K237 HydrophobicContact CB-CD 4.39Å; I212-K237 HydrophobicContact CB-CG 4.13Å; I212-K237 WeakPolarHBondContact CB-O 3.35Å; I212-K237 HydrophobicContact CD1-CG 4.33Å; I212-K237 HydrophobicContact CG2-CD 4.06Å; I212-K237 HydrophobicContact CG2-CG 4.34Å; I212-K237 PolarHBondContact N-O 3.47Å; I212-K239 HydrophobicContact CD1-CB 3.72Å; I212-K239 HydrophobicContact CG1-CB 4.41Å
213R93.4Very high90.9Very high71 Ų7163.5 Ų63.527%0.26832%0.323SS..EExtended strand (participates in β ladder)trans-149135.3-177.4-177.8175173.5-164.9-1.6109.7S21 E215 F235 V236 K237S21-R213 PolarHBondContact OG-NH1 3.45Å; R213-E215 HydrophobicContact CG-CG 4.1Å; R213-E215 VanDerWaalsContact CZ-CD 3.49Å; R213-E215 IonicContact CZ-OE1 2.77Å; R213-E215 IonicContact CZ-OE2 3.62Å; R213-E215 IonicContact NE-OE1 3.21Å; R213-E215 PolarHBondContact NE-OE1 3.28Å; R213-E215 IonicContact NE-OE2 2.97Å; R213-E215 IonicContact NH2-OE1 2.63Å; R213-E215 PolarHBondContact NH2-OE1 3.46Å; R213-E215 IonicContact NH2-OE2 2.85Å; R213-E215 PolarHBondContact NH2-OE2 3.02Å; R213-F235 HydrophobicContact CG-CE1 4.4Å; R213-V236 CarbonylContact O-C 3.57Å; R213-V236 WeakPolarHBondContact O-CA 3.27Å; R213-K237 HydrophobicContact CB-CB 4.12Å; R213-K237 PolarHBondContact N-O 2.83Å; R213-K237 PolarHBondContact O-N 3.35Å
214L93.6Very high89.8Confident50 Ų5069.8 Ų69.826%0.26235%0.347SS..EExtended strand (participates in β ladder)trans-125129.1167.4171.967.8000107.4E197 L211 V216 F234 F235 V236E197-L214 HydrophobicContact CB-CD2 4.48Å; L211-L214 HydrophobicContact CD1-CB 4.32Å; L211-L214 HydrophobicContact CD2-CB 4.23Å; L214-V216 HydrophobicContact CD1-CG2 4.2Å; L214-V216 HydrophobicContact CG-CG2 4.28Å; L214-F234 HydrophobicContact CD1-CB 4.16Å; L214-F235 CarbonylContact C-O 3.6Å; L214-F235 WeakPolarHBondContact CA-O 3.4Å; L214-V236 HydrophobicContact CD1-CG2 3.6Å
215E91.9Very high88.5Confident59 Ų5972.9 Ų72.928%0.27637%0.365SS..EExtended strand (participates in β ladder)trans-126.5140.1170.2-62.1-167.8156.500109.3F18 R213 F234 F235F18-E215 HydrophobicContact CD1-CB 4.33Å; F18-E215 VanDerWaalsContact CD1-OE2 3.26Å; F18-E215 WeakPolarHBondContact CD1-OE2 3.46Å; F18-E215 HydrophobicContact CE1-CB 3.57Å; F18-E215 HydrophobicContact CE1-CG 4.36Å; F18-E215 WeakPolarHBondContact CE1-OE2 3.43Å; F18-E215 HydrophobicContact CZ-CB 3.85Å; R213-E215 HydrophobicContact CG-CG 4.1Å; R213-E215 VanDerWaalsContact CZ-CD 3.49Å; R213-E215 IonicContact CZ-OE1 2.77Å; R213-E215 IonicContact CZ-OE2 3.62Å; R213-E215 IonicContact NE-OE1 3.21Å; R213-E215 PolarHBondContact NE-OE1 3.28Å; R213-E215 IonicContact NE-OE2 2.97Å; R213-E215 IonicContact NH2-OE1 2.63Å; R213-E215 PolarHBondContact NH2-OE1 3.46Å; R213-E215 IonicContact NH2-OE2 2.85Å; R213-E215 PolarHBondContact NH2-OE2 3.02Å; E215-F234 CarbonylContact O-C 3.57Å; E215-F234 WeakPolarHBondContact O-CA 3.42Å; E215-F235 HydrophobicContact CB-CB 4.46Å; E215-F235 HydrophobicContact CB-CD1 4.41Å; E215-F235 HydrophobicContact CG-CD1 4.46Å; E215-F235 PolarHBondContact N-O 3Å; E215-F235 PolarHBondContact O-N 2.77Å
216V90.8Very high87.6Confident51 Ų5168 Ų6831%0.30936%0.364SS..EExtended strand (participates in β ladder)trans-126.8133.8179.3176.90000108.8L177 E197 L214 V233 F234L177-V216 HydrophobicContact CD1-CG1 3.6Å; L177-V216 HydrophobicContact CD1-CG2 4.11Å; E197-V216 HydrophobicContact CG-CG2 3.81Å; L214-V216 HydrophobicContact CD1-CG2 4.2Å; L214-V216 HydrophobicContact CG-CG2 4.28Å; V216-V233 WeakPolarHBondContact CA-O 3.42Å; V216-F234 HydrophobicContact CG2-CB 4.25Å
217Y86.3Confident86.7Confident63 Ų6363.4 Ų63.425%0.24734%0.343CS..EExtended strand (participates in β ladder)trans-119.4121175.3175.7-78.3000108.5F15 L219 P220 M223 G232 V233F15-Y217 HydrophobicContact CD1-CD1 4.18Å; F15-Y217 HydrophobicContact CD1-CG 4.02Å; F15-Y217 VanDerWaalsContact CE1-CB 3.5Å; F15-Y217 AromaticContact CE1-CD1 3.03Å; F15-Y217 HydrophobicContact CE1-CD1 3.03Å; F15-Y217 HydrophobicContact CE1-CD2 4.05Å; F15-Y217 AromaticContact CE1-CE1 3.68Å; F15-Y217 HydrophobicContact CE1-CE1 3.68Å; F15-Y217 AromaticContact CE1-CG 3.23Å; F15-Y217 HydrophobicContact CE1-CG 3.23Å; F15-Y217 HydrophobicContact CE2-CD1 4.35Å; F15-Y217 HydrophobicContact CE2-CE1 4.26Å; F15-Y217 AromaticContact CZ-CD1 3.11Å; F15-Y217 HydrophobicContact CZ-CD1 3.11Å; F15-Y217 AromaticContact CZ-CE1 3.31Å; F15-Y217 HydrophobicContact CZ-CE1 3.31Å; F15-Y217 AromaticContact CZ-CG 3.81Å; F15-Y217 HydrophobicContact CZ-CG 3.81Å; Y217-L219 HydrophobicContact CD1-CD1 4.42Å; Y217-P220 WeakPolarHBondContact OH-CD 3.33Å; Y217-M223 HydrophobicContact CE1-CE 3.56Å; Y217-M223 WeakPolarHBondContact OH-CE 3.45Å; Y217-G232 CarbonylContact O-C 3.48Å; Y217-G232 WeakPolarHBondContact O-CA 3.49Å; Y217-V233 PolarHBondContact N-O 2.94Å; Y217-V233 PolarHBondContact O-N 3.37Å
218T87.1Confident86Confident106 Ų10662.7 Ų62.765%0.6534%0.338SS*.EExtended strand (participates in β ladder)trans-82.9127.7175.1-56.60000109.3P220T218-P220 VanDerWaalsContact O-CD 3.24Å; T218-P220 WeakPolarHBondContact O-CD 3.21Å
219L81Confident85.6Confident5 Ų564.1 Ų64.13%0.02634%0.341CS..PPolyproline II helixtrans-69.6121.8178.6-88.680.3000111.1F15 Y217 M223 V230 T231 V233F15-L219 HydrophobicContact CZ-CD1 4.34Å; Y217-L219 HydrophobicContact CD1-CD1 4.42Å; L219-M223 HydrophobicContact CD2-CB 4.34Å; L219-V230 HydrophobicContact CD1-CG1 4.27Å; L219-V230 HydrophobicContact CD1-CG2 4.41Å; L219-V230 HydrophobicContact CD2-CG1 3.6Å; L219-T231 PolarHBondContact N-O 2.95Å; L219-V233 HydrophobicContact CD1-CG2 3.94Å
220P80.4Confident85Confident49 Ų4964 Ų6432%0.31834%0.34SS..PPolyproline II helixtrans-55.4152.1164.9-25.637.9000112.2Y217 T218 D222 M223Y217-P220 WeakPolarHBondContact OH-CD 3.33Å; T218-P220 VanDerWaalsContact O-CD 3.24Å; T218-P220 WeakPolarHBondContact O-CD 3.21Å; P220-D222 VanDerWaalsContact C-N 3.27Å; P220-D222 WeakPolarHBondContact CB-OD1 3.31Å; P220-D222 PolarHBondContact O-N 3.35Å; P220-M223 HydrophobicContact CG-CE 4.06Å; P220-M223 PolarHBondContact O-N 3.07Å; P220-M223 VanDerWaalsContact O-N 3.12Å
221Q77.6Confident84.4Confident167 Ų16763 Ų6378%0.7834%0.335SS*.G310 helixtrans-61-34.4-176.2-70.6-178-8.300113.2M223 R224Q221-M223 PolarHBondContact O-N 3.26Å; Q221-R224 WeakPolarHBondContact O-CB 2.82Å; Q221-R224 PolarHBondContact O-N 3.34Å; Q221-R224 VanDerWaalsContact O-N 3.13Å
222D77Confident84Confident123 Ų12359.8 Ų59.866%0.65832%0.318SS*.G310 helixtrans-71.9-11.6179.964.5-47.8000113.8R10 P220R10-D222 PolarHBondContact NH1-O 3.24Å; P220-D222 VanDerWaalsContact C-N 3.27Å; P220-D222 WeakPolarHBondContact CB-OD1 3.31Å; P220-D222 PolarHBondContact O-N 3.35Å
223M72.3Confident83.8Confident14 Ų1455.8 Ų55.87%0.06930%0.298CS..G310 helixtrans-90.3-7.9171.5-66.7-145.4-78.700113.6R10 N14 Y217 L219 P220 Q221 V225R10-M223 HydrophobicContact CB-SD 4.47Å; N14-M223 PolarHBondContact ND2-SD 3.19Å; Y217-M223 HydrophobicContact CE1-CE 3.56Å; Y217-M223 WeakPolarHBondContact OH-CE 3.45Å; L219-M223 HydrophobicContact CD2-CB 4.34Å; P220-M223 HydrophobicContact CG-CE 4.06Å; P220-M223 PolarHBondContact O-N 3.07Å; P220-M223 VanDerWaalsContact O-N 3.12Å; Q221-M223 PolarHBondContact O-N 3.26Å; M223-V225 PolarHBondContact O-N 3.4Å
224R74.5Confident83.8Confident133 Ų13352.4 Ų52.450%0.50229%0.285SS..  trans-81.785.5175.7-58.4-177.7-173.5-170.1-2.2110Q221 G226Q221-R224 WeakPolarHBondContact O-CB 2.82Å; Q221-R224 PolarHBondContact O-N 3.34Å; Q221-R224 VanDerWaalsContact O-N 3.13Å; R224-G226 VanDerWaalsContact C-N 3.35Å
225V72.3Confident83.7Confident66 Ų6650.1 Ų50.140%0.427%0.273SS..  trans-93.413.3-172.6-61.10000114.1T7 M223 V227T7-V225 WeakPolarHBondContact OG1-CG2 3.5Å; M223-V225 PolarHBondContact O-N 3.4Å; V225-V227 HydrophobicContact CG2-CG1 4.32Å; V225-V227 HydrophobicContact CG2-CG2 3.99Å
226G78.1Confident83.9Confident53 Ų5347.3 Ų47.355%0.54626%0.26SS..SBendtrans79.816.3172.300000115.6R224R224-G226 VanDerWaalsContact C-N 3.35Å
227V79.4Confident84.1Confident20 Ų2045.1 Ų45.112%0.12125%0.246CC..SBendtrans-98-9.9176.9-61.20000113.8N3 T7 Y182 F183 V225N3-V227 HydrophobicContact CB-CG1 4.36Å; T7-V227 HydrophobicContact CG2-CG2 3.87Å; T7-V227 WeakPolarHBondContact OG1-CG2 3.46Å; Y182-V227 CarbonylContact C-O 3.56Å; Y182-V227 WeakPolarHBondContact CA-O 3.26Å; F183-V227 VanDerWaalsContact CD2-O 3.31Å; F183-V227 WeakPolarHBondContact CD2-O 3.4Å; F183-V227 PolarHBondContact N-O 3.1Å; V225-V227 HydrophobicContact CG2-CG1 4.32Å; V225-V227 HydrophobicContact CG2-CG2 3.99Å
228D84.4Confident84.7Confident19 Ų1942.1 Ų42.110%0.10223%0.234CC..BIsolated β-bridgetrans-161.3177.1-177.550.245000108.7T7 E179 Y181 V230T7-D228 VanDerWaalsContact CG2-OD2 3.29Å; T7-D228 WeakPolarHBondContact CG2-OD2 3.4Å; E179-D228 VanDerWaalsContact OE1-CB 3.31Å; E179-D228 WeakPolarHBondContact OE1-CB 3.41Å; Y181-D228 WeakPolarHBondContact O-CA 3.43Å; Y181-D228 WeakPolarHBondContact O-CB 3.45Å; D228-V230 WeakPolarHBondContact OD1-CG1 3.41Å
229D88.6Confident85.2Confident53 Ų5341.4 Ų41.428%0.28322%0.223SC..  trans-119.122.1173.164.7-16.7000113.2S180 Y181 T231S180-D229 WeakPolarHBondContact CB-OD2 3.48Å; S180-D229 PolarHBondContact N-OD1 2.79Å; S180-D229 PolarHBondContact N-OD2 2.76Å; S180-D229 PolarHBondContact OG-OD2 3.29Å; Y181-D229 HydrophobicContact CD1-CB 4.15Å; Y181-D229 VanDerWaalsContact CD1-CG 3.48Å; Y181-D229 WeakPolarHBondContact CD1-OD2 3.49Å; Y181-D229 HydrophobicContact CE1-CB 3.59Å; Y181-D229 VanDerWaalsContact CE1-CG 3.44Å; Y181-D229 WeakPolarHBondContact CE1-OD2 3.39Å; Y181-D229 PolarHBondContact N-OD1 3.34Å; D229-T231 PolarHBondContact O-N 3.15Å
230V86.7Confident86Confident4 Ų443.5 Ų43.52%0.02423%0.231CC..  trans-59.4135.8-178.369.60000112.2A176 E179 L219 D228 G232A176-V230 HydrophobicContact CB-CG2 3.68Å; E179-V230 HydrophobicContact CB-CB 4.01Å; E179-V230 HydrophobicContact CB-CG2 4.21Å; E179-V230 HydrophobicContact CG-CB 4.18Å; L219-V230 HydrophobicContact CD1-CG1 4.27Å; L219-V230 HydrophobicContact CD1-CG2 4.41Å; L219-V230 HydrophobicContact CD2-CG1 3.6Å; D228-V230 WeakPolarHBondContact OD1-CG1 3.41Å; V230-G232 WeakPolarHBondContact CG2-O 3.42Å
231T85.4Confident86.6Confident62 Ų6247.4 Ų47.438%0.3825%0.25SC..  trans-104.7-27.9-178.364.90000112.6L177 L219 D229L177-T231 PolarHBondContact O-N 3.38Å; L177-T231 VanDerWaalsContact O-N 3.1Å; L177-T231 PolarHBondContact O-OG1 3.38Å; L219-T231 PolarHBondContact N-O 2.95Å; D229-T231 PolarHBondContact O-N 3.15Å
232G88.9Confident87Confident3 Ų341.5 Ų41.53%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-158.7169.317600000112L177 Y217 V230L177-G232 PolarHBondContact N-O 3.18Å; L177-G232 PolarHBondContact O-N 3.27Å; Y217-G232 CarbonylContact O-C 3.48Å; Y217-G232 WeakPolarHBondContact O-CA 3.49Å; V230-G232 WeakPolarHBondContact CG2-O 3.42Å
233V90.4Very high87.6Confident1 Ų137.2 Ų37.21%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-122.5137172176.90000107.8L11 F15 F142 I174 G175 V216 Y217 L219L11-V233 HydrophobicContact CD2-CG2 3.5Å; F15-V233 HydrophobicContact CD1-CB 4.35Å; F15-V233 HydrophobicContact CD1-CG1 4.42Å; F15-V233 HydrophobicContact CE1-CB 3.75Å; F15-V233 HydrophobicContact CE1-CG1 4.31Å; F15-V233 HydrophobicContact CE1-CG2 3.96Å; F15-V233 HydrophobicContact CZ-CB 4.28Å; F15-V233 HydrophobicContact CZ-CG2 3.97Å; F142-V233 HydrophobicContact CE1-CG1 4.15Å; F142-V233 HydrophobicContact CE1-CG2 4.12Å; F142-V233 HydrophobicContact CZ-CG1 3.93Å; F142-V233 HydrophobicContact CZ-CG2 4.16Å; I174-V233 HydrophobicContact CG2-CG1 3.81Å; G175-V233 WeakPolarHBondContact O-CA 3.49Å; G175-V233 WeakPolarHBondContact O-CG1 3.47Å; V216-V233 WeakPolarHBondContact CA-O 3.42Å; Y217-V233 PolarHBondContact N-O 2.94Å; Y217-V233 PolarHBondContact O-N 3.37Å; L219-V233 HydrophobicContact CD1-CG2 3.94Å
234F92.3Very high88.4Confident0 Ų038.4 Ų38.40%021%0.208CC..EExtended strand (participates in β ladder)trans-102.7147.9170.471.7-94000110.6L173 I174 G175 L177 V200 L214 E215 V216 V236L173-F234 HydrophobicContact CB-CE2 4.36Å; L173-F234 HydrophobicContact CD2-CE2 3.85Å; L173-F234 HydrophobicContact CD2-CZ 4.11Å; L173-F234 HydrophobicContact CG-CE2 3.75Å; L173-F234 HydrophobicContact CG-CZ 4.12Å; I174-F234 VanDerWaalsContact CA-O 3.31Å; I174-F234 WeakPolarHBondContact CA-O 3.22Å; G175-F234 VanDerWaalsContact C-CD1 3.49Å; G175-F234 PolarHBondContact N-O 3.06Å; G175-F234 WeakPolarHBondContact O-CD1 2.92Å; G175-F234 PolarHBondContact O-N 3.11Å; L177-F234 HydrophobicContact CD1-CB 4.2Å; L177-F234 HydrophobicContact CD2-CB 4.38Å; L177-F234 HydrophobicContact CD2-CD1 3.68Å; L177-F234 HydrophobicContact CD2-CE1 4.46Å; L177-F234 HydrophobicContact CD2-CG 4.41Å; L177-F234 HydrophobicContact CG-CB 4.23Å; L177-F234 HydrophobicContact CG-CD1 3.93Å; V200-F234 HydrophobicContact CG1-CD2 4.1Å; V200-F234 HydrophobicContact CG1-CE2 3.82Å; V200-F234 HydrophobicContact CG1-CZ 4.14Å; V200-F234 HydrophobicContact CG2-CD1 4.18Å; V200-F234 HydrophobicContact CG2-CE1 3.9Å; V200-F234 HydrophobicContact CG2-CE2 4.46Å; V200-F234 HydrophobicContact CG2-CZ 4.05Å; L214-F234 HydrophobicContact CD1-CB 4.16Å; E215-F234 CarbonylContact O-C 3.57Å; E215-F234 WeakPolarHBondContact O-CA 3.42Å; V216-F234 HydrophobicContact CG2-CB 4.25Å; F234-V236 HydrophobicContact CD2-CG2 3.92Å; F234-V236 HydrophobicContact CE2-CG2 4.3Å
235F93.4Very high89.2Confident1 Ų132.9 Ų32.90%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-121.1129.3163.4164.2-96.6000108.4F18 P22 M172 L173 I174 R213 L214 E215 K237F18-F235 HydrophobicContact CB-CB 3.82Å; F18-F235 HydrophobicContact CB-CD2 3.9Å; F18-F235 HydrophobicContact CB-CG 3.83Å; F18-F235 HydrophobicContact CD1-CB 3.96Å; F18-F235 HydrophobicContact CD1-CD1 4.48Å; F18-F235 HydrophobicContact CD1-CG 4.26Å; F18-F235 HydrophobicContact CD2-CB 3.61Å; F18-F235 HydrophobicContact CE1-CB 4.41Å; F18-F235 HydrophobicContact CE2-CB 4.06Å; F18-F235 HydrophobicContact CG-CB 3.54Å; F18-F235 AromaticContact CG-CG 3.99Å; F18-F235 HydrophobicContact CG-CG 3.99Å; F18-F235 HydrophobicContact CZ-CB 4.44Å; F18-F235 WeakPolarHBondContact O-CE2 3.28Å; P22-F235 HydrophobicContact CB-CZ 4.07Å; P22-F235 HydrophobicContact CG-CE1 4.06Å; P22-F235 HydrophobicContact CG-CE2 3.56Å; P22-F235 HydrophobicContact CG-CZ 3.18Å; M172-F235 HydrophobicContact CB-CE2 4.4Å; M172-F235 HydrophobicContact SD-CE2 4Å; M172-F235 HydrophobicContact SD-CZ 3.79Å; L173-F235 CarbonylContact O-C 3.58Å; I174-F235 HydrophobicContact CD1-CD2 3.89Å; I174-F235 HydrophobicContact CG1-CB 4.27Å; I174-F235 HydrophobicContact CG1-CD2 3.65Å; I174-F235 HydrophobicContact CG1-CG 4.46Å; R213-F235 HydrophobicContact CG-CE1 4.4Å; L214-F235 CarbonylContact C-O 3.6Å; L214-F235 WeakPolarHBondContact CA-O 3.4Å; E215-F235 HydrophobicContact CB-CB 4.46Å; E215-F235 HydrophobicContact CB-CD1 4.41Å; E215-F235 HydrophobicContact CG-CD1 4.46Å; E215-F235 PolarHBondContact N-O 3Å; E215-F235 PolarHBondContact O-N 2.77Å; F235-K237 HydrophobicContact CE1-CB 4.17Å; F235-K237 HydrophobicContact CZ-CB 3.96Å
236V95.1Very high90.3Very high0 Ų030.8 Ų30.80%018%0.177CC..EExtended strand (participates in β ladder)trans-120.4131.8175.5161.40000109.2M172 L173 V200 L204 L211 R213 L214 F234 A238M172-V236 CarbonylContact C-O 3.53Å; M172-V236 VanDerWaalsContact CA-O 3.31Å; M172-V236 WeakPolarHBondContact CA-O 3.37Å; L173-V236 HydrophobicContact CB-CB 4.2Å; L173-V236 PolarHBondContact N-O 3.08Å; L173-V236 PolarHBondContact O-N 3.25Å; V200-V236 HydrophobicContact CG1-CG2 4.06Å; L204-V236 HydrophobicContact CD1-CB 4.4Å; L204-V236 HydrophobicContact CD1-CG1 3.61Å; L204-V236 HydrophobicContact CD1-CG2 4Å; L204-V236 HydrophobicContact CD2-CG1 4.23Å; L211-V236 HydrophobicContact CD1-CG1 3.88Å; L211-V236 HydrophobicContact CD1-CG2 4.28Å; R213-V236 CarbonylContact O-C 3.57Å; R213-V236 WeakPolarHBondContact O-CA 3.27Å; L214-V236 HydrophobicContact CD1-CG2 3.6Å; F234-V236 HydrophobicContact CD2-CG2 3.92Å; F234-V236 HydrophobicContact CE2-CG2 4.3Å; V236-A238 HydrophobicContact CG1-CB 3.91Å
237K95.5Very high91.1Very high5 Ų529.3 Ų29.32%0.02215%0.153CC..EExtended strand (participates in β ladder)trans-106122.6153.7-179.5177.3-179.8175.40108.2D27 L171 M172 I212 R213 F235D27-K237 PolarHBondContact O-NZ 3.32Å; D27-K237 IonicContact OD1-NZ 3.08Å; D27-K237 PolarHBondContact OD1-NZ 2.9Å; D27-K237 IonicContact OD2-NZ 3.55Å; D27-K237 PolarHBondContact OD2-NZ 2.73Å; L171-K237 WeakPolarHBondContact O-CA 3.3Å; M172-K237 HydrophobicContact CE-CB 4.32Å; M172-K237 HydrophobicContact CE-CD 3.79Å; M172-K237 HydrophobicContact CE-CG 3.62Å; M172-K237 HydrophobicContact SD-CB 3.83Å; M172-K237 HydrophobicContact SD-CD 4.35Å; M172-K237 HydrophobicContact SD-CG 3.79Å; I212-K237 WeakPolarHBondContact CA-O 3.49Å; I212-K237 HydrophobicContact CB-CB 4.46Å; I212-K237 HydrophobicContact CB-CD 4.39Å; I212-K237 HydrophobicContact CB-CG 4.13Å; I212-K237 WeakPolarHBondContact CB-O 3.35Å; I212-K237 HydrophobicContact CD1-CG 4.33Å; I212-K237 HydrophobicContact CG2-CD 4.06Å; I212-K237 HydrophobicContact CG2-CG 4.34Å; I212-K237 PolarHBondContact N-O 3.47Å; R213-K237 HydrophobicContact CB-CB 4.12Å; R213-K237 PolarHBondContact N-O 2.83Å; R213-K237 PolarHBondContact O-N 3.35Å; F235-K237 HydrophobicContact CE1-CB 4.17Å; F235-K237 HydrophobicContact CZ-CB 3.96Å
238A97.4Very high91.9Very high0 Ų030 Ų300%016%0.155CC..EExtended strand (participates in β ladder)trans-131.5161.5174.300000110.7H170 L171 L204 Y209 T210 V236H170-A238 CarbonylContact C-O 3.56Å; H170-A238 WeakPolarHBondContact CA-O 3.44Å; L171-A238 PolarHBondContact N-O 3.5Å; L171-A238 PolarHBondContact O-N 3.15Å; L204-A238 HydrophobicContact CD2-CB 4.07Å; Y209-A238 HydrophobicContact CD1-CB 4.21Å; Y209-A238 HydrophobicContact CG-CB 4.43Å; T210-A238 CarbonylContact O-C 3.58Å; T210-A238 WeakPolarHBondContact O-CA 3.23Å; V236-A238 HydrophobicContact CG1-CB 3.91Å
239K97.5Very high92.5Very high92 Ų9230.8 Ų30.840%0.416%0.159SC..EExtended strand (participates in β ladder)trans-122.5132.1176.6-177.5175.7-178-1790109G168 G169 Y209 T210 I212G168-K239 WeakPolarHBondContact O-CE 3.47Å; G169-K239 WeakPolarHBondContact O-CA 3.37Å; Y209-K239 CarbonylContact C-O 3.55Å; Y209-K239 WeakPolarHBondContact CA-O 3.32Å; T210-K239 PolarHBondContact N-O 3.46Å; T210-K239 PolarHBondContact O-N 3.24Å; I212-K239 HydrophobicContact CD1-CB 3.72Å; I212-K239 HydrophobicContact CG1-CB 4.41Å
240K98.1Very high92.8Very high48 Ų4829 Ų2921%0.20915%0.149CC..EExtended strand (participates in β ladder)trans-69.3133.4175.3-177.5172.7171.8-177.90109.3G162 L165 G168 G169 Y209G162-K240 PolarHBondContact O-NZ 2.94Å; L165-K240 HydrophobicContact CB-CD 4.1Å; L165-K240 HydrophobicContact CD2-CB 3.96Å; L165-K240 HydrophobicContact CG-CB 4.25Å; L165-K240 HydrophobicContact CG-CD 4.23Å; L165-K240 WeakPolarHBondContact O-CD 3.18Å; L165-K240 PolarHBondContact O-NZ 3.16Å; G168-K240 WeakPolarHBondContact CA-O 3.37Å; G168-K240 PolarHBondContact N-O 3.04Å; G169-K240 PolarHBondContact O-N 3.32Å; Y209-K240 HydrophobicContact CD1-CB 4.11Å; Y209-K240 HydrophobicContact CE1-CB 3.94Å
241D93.5Very high93.4Very high132 Ų13231.3 Ų31.371%0.70616%0.16SC*.  trans-630177.9-59.2-22.1000112.6G208 T210G208-D241 VanDerWaalsContact O-CG 3.31Å; G208-D241 PolarHBondContact O-N 2.89Å; T210-D241 PolarHBondContact N-OD1 2.66Å; T210-D241 PolarHBondContact OG1-OD1 3.2Å

Retrieved 241 of 241 residues in 276.6 ms (Link to these results)

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