A0A5K4EZD4_SCHMA Loading...

tRNA pseudouridine(55) synthase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EZD4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 702 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
1M77.4Confident86.8Confident74 Ų7464.3 Ų64.337%0.36534%0.338SS..  0143.90-66-179.367.200109.2A5 I6 I9 F154 D158 L162M1-A5 HydrophobicContact CE-CB 3.89Å; M1-I6 HydrophobicContact CB-CD1 4.11Å; M1-I6 HydrophobicContact CB-CG1 3.91Å; M1-I6 HydrophobicContact CE-CG1 4.36Å; M1-I6 HydrophobicContact SD-CG1 4.32Å; M1-I9 HydrophobicContact CE-CD1 3.6Å; M1-F154 HydrophobicContact CE-CB 3.9Å; M1-D158 HydrophobicContact CE-CB 3.65Å; M1-D158 HydrophobicContact CG-CB 3.91Å; M1-D158 WeakPolarHBondContact CG-OD1 3.4Å; M1-D158 HydrophobicContact SD-CB 3.8Å; M1-L162 HydrophobicContact CE-CD1 4.31Å; M1-L162 HydrophobicContact SD-CD1 3.81Å; M1-L162 HydrophobicContact SD-CD2 3.68Å; M1-L162 HydrophobicContact SD-CG 3.57Å; M1-L162 VanDerWaalsContact SD-CG 3.57Å
2P81.6Confident87Confident70 Ų7063.1 Ų63.146%0.45533%0.326SS..  trans-59.3151.5167.5-20.432.7000111.7E4 A5 I6P2-E4 VanDerWaalsContact CB-OE2 3.28Å; P2-E4 WeakPolarHBondContact CB-OE2 3.46Å; P2-E4 PolarHBondContact O-N 3.08Å; P2-A5 HydrophobicContact CB-CB 4.44Å; P2-A5 WeakPolarHBondContact O-CB 3.29Å; P2-A5 PolarHBondContact O-N 3.49Å; P2-I6 PolarHBondContact O-N 3.13Å
3N83.4Confident87.5Confident126 Ų12658.2 Ų58.267%0.67430%0.301SS*.Hα-helixtrans-64.6-32.6-179.5-75.3-20.4000111.9A5 I6 S7N3-A5 VanDerWaalsContact C-N 3.32Å; N3-A5 PolarHBondContact O-N 3.48Å; N3-I6 PolarHBondContact O-N 3.29Å; N3-S7 WeakPolarHBondContact O-CB 3.39Å; N3-S7 PolarHBondContact O-N 3.25Å
4E84.8Confident87.8Confident128 Ų12860.2 Ų60.260%0.59831%0.311SS*.Hα-helixtrans-63.7-40.4177.8-57.774.3-159.600111P2 S7 C8P2-E4 VanDerWaalsContact CB-OE2 3.28Å; P2-E4 WeakPolarHBondContact CB-OE2 3.46Å; P2-E4 PolarHBondContact O-N 3.08Å; E4-S7 PolarHBondContact O-N 2.94Å; E4-C8 VanDerWaalsContact O-CB 3.28Å; E4-C8 WeakPolarHBondContact O-CB 3.46Å; E4-C8 PolarHBondContact O-N 3.26Å
5A86.2Confident87.9Confident0 Ų063.3 Ų63.30%033%0.329CS..Hα-helixtrans-65.6-45.1177.300000111.9M1 P2 N3 C8 I9 T153 F154M1-A5 HydrophobicContact CE-CB 3.89Å; P2-A5 HydrophobicContact CB-CB 4.44Å; P2-A5 WeakPolarHBondContact O-CB 3.29Å; P2-A5 PolarHBondContact O-N 3.49Å; N3-A5 VanDerWaalsContact C-N 3.32Å; N3-A5 PolarHBondContact O-N 3.48Å; A5-C8 PolarHBondContact O-N 2.96Å; A5-I9 WeakPolarHBondContact O-CG1 3.26Å; A5-I9 PolarHBondContact O-N 3.35Å; A5-I9 VanDerWaalsContact O-N 3.08Å; A5-T153 WeakPolarHBondContact CA-OG1 3.15Å; A5-T153 PolarHBondContact N-OG1 3.07Å; A5-F154 HydrophobicContact CB-CB 4.14Å
6I88.4Confident87.9Confident39 Ų3960.8 Ų60.820%0.232%0.315CS..Hα-helixtrans-62.2-48.7175.5-65172.2000110M1 P2 N3 C8 I9 Q10M1-I6 HydrophobicContact CB-CD1 4.11Å; M1-I6 HydrophobicContact CB-CG1 3.91Å; M1-I6 HydrophobicContact CE-CG1 4.36Å; M1-I6 HydrophobicContact SD-CG1 4.32Å; P2-I6 PolarHBondContact O-N 3.13Å; N3-I6 PolarHBondContact O-N 3.29Å; I6-C8 VanDerWaalsContact C-N 3.29Å; I6-C8 PolarHBondContact O-N 2.97Å; I6-I9 PolarHBondContact O-N 2.95Å; I6-I9 VanDerWaalsContact O-N 3.16Å; I6-Q10 HydrophobicContact CG2-CG 4.12Å; I6-Q10 VanDerWaalsContact O-CG 3.26Å; I6-Q10 WeakPolarHBondContact O-CG 3.4Å; I6-Q10 PolarHBondContact O-N 3.23Å
7S89.2Confident88.2Confident71 Ų7160.6 Ų60.650%0.49731%0.314SS..Hα-helixtrans-59.5-40.1179.8-171.70000112.3N3 E4 Q10 K11N3-S7 WeakPolarHBondContact O-CB 3.39Å; N3-S7 PolarHBondContact O-N 3.25Å; E4-S7 PolarHBondContact O-N 2.94Å; S7-Q10 PolarHBondContact O-N 3.01Å; S7-K11 WeakPolarHBondContact O-CB 3.42Å; S7-K11 PolarHBondContact O-N 3.3Å
8C88.7Confident88.5Confident18 Ų1857.4 Ų57.412%0.12230%0.297CS..Hα-helixtrans-59.5-50.1174.1-1700000111.5E4 A5 I6 Q10 K11 Y12E4-C8 VanDerWaalsContact O-CB 3.28Å; E4-C8 WeakPolarHBondContact O-CB 3.46Å; E4-C8 PolarHBondContact O-N 3.26Å; A5-C8 PolarHBondContact O-N 2.96Å; I6-C8 VanDerWaalsContact C-N 3.29Å; I6-C8 PolarHBondContact O-N 2.97Å; C8-Q10 PolarHBondContact O-N 2.99Å; C8-K11 PolarHBondContact O-N 3.32Å; C8-Y12 WeakPolarHBondContact O-CD2 3.37Å; C8-Y12 PolarHBondContact O-N 3.45Å; C8-Y12 VanDerWaalsContact O-N 3.1Å; C8-Y12 VanDerWaalsContact SG-CE2 3.52Å
9I91.4Very high88.9Confident0 Ų054.4 Ų54.40%028%0.282CS..Hα-helixtrans-60.4-45.1176.5-67.8171.3000111.4M1 A5 I6 K11 Y12 M13 T27 L127 F154 L162M1-I9 HydrophobicContact CE-CD1 3.6Å; A5-I9 WeakPolarHBondContact O-CG1 3.26Å; A5-I9 PolarHBondContact O-N 3.35Å; A5-I9 VanDerWaalsContact O-N 3.08Å; I6-I9 PolarHBondContact O-N 2.95Å; I6-I9 VanDerWaalsContact O-N 3.16Å; I9-K11 VanDerWaalsContact C-N 3.33Å; I9-K11 PolarHBondContact O-N 3.45Å; I9-Y12 PolarHBondContact O-N 3.18Å; I9-M13 HydrophobicContact CG2-CE 3.71Å; I9-M13 HydrophobicContact CG2-CG 4.39Å; I9-M13 HydrophobicContact CG2-SD 4.33Å; I9-M13 WeakPolarHBondContact O-CG 3.46Å; I9-M13 PolarHBondContact O-N 3.18Å; I9-T27 HydrophobicContact CG2-CG2 3.97Å; I9-L127 HydrophobicContact CG2-CD1 4.1Å; I9-L127 HydrophobicContact CG2-CD2 4.27Å; I9-F154 HydrophobicContact CD1-CB 4.16Å; I9-F154 HydrophobicContact CD1-CD1 3.88Å; I9-F154 HydrophobicContact CD1-CD2 4.13Å; I9-F154 HydrophobicContact CD1-CE1 4.27Å; I9-F154 HydrophobicContact CD1-CG 3.8Å; I9-F154 HydrophobicContact CG1-CD1 3.52Å; I9-F154 HydrophobicContact CG1-CD2 4.31Å; I9-F154 HydrophobicContact CG1-CE1 3.48Å; I9-F154 VanDerWaalsContact CG1-CE1 3.48Å; I9-F154 HydrophobicContact CG1-CE2 4.28Å; I9-F154 HydrophobicContact CG1-CG 3.95Å; I9-F154 HydrophobicContact CG1-CZ 3.89Å; I9-L162 HydrophobicContact CD1-CD1 3.71Å
10Q92.9Very high89.3Confident51 Ų5156 Ų5624%0.23829%0.287CS..Hα-helixtrans-61.9-40.9-179.8-69-178.5-16.700111.9I6 S7 C8 M13 L14 I23 T27I6-Q10 HydrophobicContact CG2-CG 4.12Å; I6-Q10 VanDerWaalsContact O-CG 3.26Å; I6-Q10 WeakPolarHBondContact O-CG 3.4Å; I6-Q10 PolarHBondContact O-N 3.23Å; S7-Q10 PolarHBondContact O-N 3.01Å; C8-Q10 PolarHBondContact O-N 2.99Å; Q10-M13 PolarHBondContact O-N 3.46Å; Q10-L14 WeakPolarHBondContact O-CG 3.31Å; Q10-L14 PolarHBondContact O-N 2.91Å; Q10-I23 HydrophobicContact CB-CG2 3.77Å; Q10-I23 HydrophobicContact CG-CG2 3.48Å; Q10-I23 VanDerWaalsContact CG-CG2 3.48Å; Q10-T27 HydrophobicContact CG-CG2 4.09Å; Q10-T27 PolarHBondContact NE2-OG1 3.45Å
11K91Very high89.7Confident130 Ų13053.3 Ų53.357%0.56527%0.273SS*.Hα-helixtrans-61-46.8174.6-173.9178.6178.5-1790111.4S7 C8 I9 M13 L14 D15S7-K11 WeakPolarHBondContact O-CB 3.42Å; S7-K11 PolarHBondContact O-N 3.3Å; C8-K11 PolarHBondContact O-N 3.32Å; I9-K11 VanDerWaalsContact C-N 3.33Å; I9-K11 PolarHBondContact O-N 3.45Å; K11-M13 VanDerWaalsContact C-N 3.32Å; K11-M13 PolarHBondContact O-N 2.95Å; K11-L14 WeakPolarHBondContact O-CB 3.2Å; K11-L14 PolarHBondContact O-N 3.23Å; K11-L14 VanDerWaalsContact O-N 3.16Å; K11-D15 PolarHBondContact O-N 3.18Å
12Y89.4Confident90.6Very high50 Ų5049.8 Ų49.820%0.19626%0.256CS..Hα-helixtrans-59.9-42.2175.3-78-61.7000112.5C8 I9 L14 D15 F16 M130C8-Y12 WeakPolarHBondContact O-CD2 3.37Å; C8-Y12 PolarHBondContact O-N 3.45Å; C8-Y12 VanDerWaalsContact O-N 3.1Å; C8-Y12 VanDerWaalsContact SG-CE2 3.52Å; I9-Y12 PolarHBondContact O-N 3.18Å; Y12-L14 VanDerWaalsContact C-N 3.32Å; Y12-L14 PolarHBondContact O-N 3.23Å; Y12-D15 PolarHBondContact O-N 3.46Å; Y12-F16 WeakPolarHBondContact O-CD2 3.48Å; Y12-F16 PolarHBondContact O-N 3.26Å; Y12-F16 VanDerWaalsContact O-N 3.11Å; Y12-M130 HydrophobicContact CD1-CE 3.53Å; Y12-M130 HydrophobicContact CD2-CE 3.54Å; Y12-M130 HydrophobicContact CE1-CE 3.34Å; Y12-M130 HydrophobicContact CE2-CE 3.34Å; Y12-M130 HydrophobicContact CG-CE 3.62Å
13M93.5Very high91.3Very high0 Ų046.8 Ų46.80%024%0.235CC..Hα-helixtrans-62.8-37.9176.4-68.6-174.5177.200112.3I9 Q10 K11 F16 I18 I23 L26 T27 L123 W124 L127I9-M13 HydrophobicContact CG2-CE 3.71Å; I9-M13 HydrophobicContact CG2-CG 4.39Å; I9-M13 HydrophobicContact CG2-SD 4.33Å; I9-M13 WeakPolarHBondContact O-CG 3.46Å; I9-M13 PolarHBondContact O-N 3.18Å; Q10-M13 PolarHBondContact O-N 3.46Å; K11-M13 VanDerWaalsContact C-N 3.32Å; K11-M13 PolarHBondContact O-N 2.95Å; M13-F16 WeakPolarHBondContact O-CB 3.41Å; M13-F16 PolarHBondContact O-N 3.45Å; M13-I18 HydrophobicContact CB-CB 4.35Å; M13-I18 HydrophobicContact CB-CD1 3.96Å; M13-I18 HydrophobicContact CG-CD1 4.17Å; M13-I18 WeakPolarHBondContact O-CB 3.36Å; M13-I18 WeakPolarHBondContact O-CG1 3.25Å; M13-I18 PolarHBondContact O-N 3.45Å; M13-I23 HydrophobicContact CB-CD1 3.79Å; M13-I23 HydrophobicContact CB-CG1 3.67Å; M13-I23 HydrophobicContact SD-CB 4.44Å; M13-I23 HydrophobicContact SD-CG1 4.17Å; M13-I23 HydrophobicContact SD-CG2 4.3Å; M13-L26 HydrophobicContact CE-CB 4.31Å; M13-L26 HydrophobicContact CE-CD1 4.3Å; M13-T27 HydrophobicContact CE-CG2 3.91Å; M13-T27 HydrophobicContact SD-CG2 3.91Å; M13-L123 HydrophobicContact CE-CD2 3.77Å; M13-L123 HydrophobicContact CE-CG 4.36Å; M13-L123 HydrophobicContact CG-CD1 4.36Å; M13-L123 HydrophobicContact CG-CD2 4.48Å; M13-L123 HydrophobicContact SD-CD2 4.35Å; M13-W124 HydrophobicContact CE-CZ3 4.42Å; M13-L127 HydrophobicContact CE-CD1 3.8Å
14L91.8Very high91.9Very high86 Ų8642.4 Ų42.445%0.4521%0.212SC..Hα-helixtrans-61.1-44.8173.4-74169.2000111.3Q10 K11 Y12 F16 N17 K20 I23Q10-L14 WeakPolarHBondContact O-CG 3.31Å; Q10-L14 PolarHBondContact O-N 2.91Å; K11-L14 WeakPolarHBondContact O-CB 3.2Å; K11-L14 PolarHBondContact O-N 3.23Å; K11-L14 VanDerWaalsContact O-N 3.16Å; Y12-L14 VanDerWaalsContact C-N 3.32Å; Y12-L14 PolarHBondContact O-N 3.23Å; L14-F16 PolarHBondContact O-N 2.96Å; L14-N17 PolarHBondContact O-N 3.12Å; L14-K20 HydrophobicContact CD2-CG 4.39Å; L14-I23 HydrophobicContact CB-CD1 4.32Å; L14-I23 HydrophobicContact CD2-CD1 3.46Å; L14-I23 VanDerWaalsContact CD2-CD1 3.46Å; L14-I23 HydrophobicContact CG-CD1 3.47Å; L14-I23 VanDerWaalsContact CG-CD1 3.47Å
15D88.7Confident92.4Very high107 Ų10736.3 Ų36.357%0.57218%0.183SC*.Hα-helixtrans-61.6-25.9177.5-64-21.2000112.1K11 Y12 N17K11-D15 PolarHBondContact O-N 3.18Å; Y12-D15 PolarHBondContact O-N 3.46Å; D15-N17 PolarHBondContact O-N 2.92Å
16F88.8Confident92.8Very high23 Ų2336.4 Ų36.410%0.10118%0.184CC..THydrogen-bonded Turntrans-78.56.3172.3-74.5-60.5000114.9Y12 M13 L14 I18 K52 L123 E126 L354 R355Y12-F16 WeakPolarHBondContact O-CD2 3.48Å; Y12-F16 PolarHBondContact O-N 3.26Å; Y12-F16 VanDerWaalsContact O-N 3.11Å; M13-F16 WeakPolarHBondContact O-CB 3.41Å; M13-F16 PolarHBondContact O-N 3.45Å; L14-F16 PolarHBondContact O-N 2.96Å; F16-I18 VanDerWaalsContact C-N 3.32Å; F16-I18 HydrophobicContact CB-CD1 3.82Å; F16-I18 HydrophobicContact CB-CG1 3.93Å; F16-K52 WeakPolarHBondContact O-CD 3.17Å; F16-K52 WeakPolarHBondContact O-CE 3.4Å; F16-L123 HydrophobicContact CD2-CD1 4.31Å; F16-E126 WeakPolarHBondContact CE1-OE2 3.17Å; F16-E126 WeakPolarHBondContact CZ-OE2 3.4Å; F16-L354 HydrophobicContact CD1-CB 4.37Å; F16-R355 HydrophobicContact CE1-CG 3.61Å; F16-R355 HydrophobicContact CZ-CG 4.25Å
17N91.9Very high93Very high57 Ų5734.7 Ų34.731%0.30518%0.175SC..THydrogen-bonded Turntrans58.641.9-172.9-60.6-41.9000112.5L14 D15 F49 C51 K52L14-N17 PolarHBondContact O-N 3.12Å; D15-N17 PolarHBondContact O-N 2.92Å; N17-F49 HydrophobicContact CB-CE2 4.07Å; N17-C51 WeakPolarHBondContact O-CA 3.39Å; N17-K52 HydrophobicContact CB-CG 4.38Å; N17-K52 PolarHBondContact O-N 3.12Å
18I94.9Very high92.9Very high3 Ų334 Ų342%0.01517%0.166CC..  trans-95.8131172.8-57.8171000108.3M13 F16 C22 I23 L53 L123M13-I18 HydrophobicContact CB-CB 4.35Å; M13-I18 HydrophobicContact CB-CD1 3.96Å; M13-I18 HydrophobicContact CG-CD1 4.17Å; M13-I18 WeakPolarHBondContact O-CB 3.36Å; M13-I18 WeakPolarHBondContact O-CG1 3.25Å; M13-I18 PolarHBondContact O-N 3.45Å; F16-I18 VanDerWaalsContact C-N 3.32Å; F16-I18 HydrophobicContact CB-CD1 3.82Å; F16-I18 HydrophobicContact CB-CG1 3.93Å; I18-C22 HydrophobicContact CG2-CB 3.36Å; I18-I23 HydrophobicContact CB-CG1 4.32Å; I18-I23 HydrophobicContact CG2-CG1 3.92Å; I18-L53 HydrophobicContact CD1-CD1 3.9Å; I18-L53 HydrophobicContact CD1-CG 4.05Å; I18-L53 HydrophobicContact CG1-CD1 4.2Å; I18-L53 HydrophobicContact CG1-CG 4.03Å; I18-L53 HydrophobicContact CG2-CD1 3.66Å; I18-L53 HydrophobicContact CG2-CG 4.11Å; I18-L123 HydrophobicContact CD1-CD1 3.78Å; I18-L123 HydrophobicContact CD1-CD2 3.87Å; I18-L123 HydrophobicContact CD1-CG 4.45Å
19C95.9Very high92Very high0 Ų034.4 Ų34.40%017%0.172CC..  trans-68149.9179.969.80000112.1C21 C22 I23 Y45 F49 C51 H59C19-C21 PolarHBondContact O-N 2.87Å; C19-C21 VanDerWaalsContact O-N 3.15Å; C19-C22 WeakPolarHBondContact O-CA 3.47Å; C19-C22 WeakPolarHBondContact O-CB 3.19Å; C19-C22 PolarHBondContact O-N 3.18Å; C19-I23 WeakPolarHBondContact O-CG1 3.39Å; C19-I23 PolarHBondContact O-N 3.4Å; C19-Y45 WeakPolarHBondContact CA-OH 3.28Å; C19-Y45 HydrophobicContact CB-CE2 4.03Å; C19-F49 HydrophobicContact CB-CE1 4.19Å; C19-C51 HydrophobicContact CB-CB 3.89Å; C19-C51 PolarHBondContact N-SG 3.24Å; C19-C51 VanDerWaalsContact SG-SG 3.65Å; C19-H59 HydrophobicContact CB-CB 4.31Å
20K96.2Very high91.3Very high87 Ų8743.7 Ų43.738%0.37821%0.208SC..Hα-helixtrans-48.6-40.7177-66.8173.9-177.9-178.10113.5L14 C22 I23 I24 V39 Q43 Y45L14-K20 HydrophobicContact CD2-CG 4.39Å; K20-C22 PolarHBondContact O-N 2.69Å; K20-I23 WeakPolarHBondContact O-CB 3.47Å; K20-I23 PolarHBondContact O-N 2.93Å; K20-I23 VanDerWaalsContact O-N 3.16Å; K20-I24 WeakPolarHBondContact O-CG1 3.38Å; K20-I24 PolarHBondContact O-N 3.16Å; K20-V39 HydrophobicContact CB-CG1 3.49Å; K20-V39 VanDerWaalsContact CB-CG1 3.49Å; K20-Q43 HydrophobicContact CD-CB 4.26Å; K20-Y45 WeakPolarHBondContact CG-OH 3.46Å; K20-Y45 PolarHBondContact N-OH 2.81Å
21C97.1Very high90.9Very high0 Ų041.5 Ų41.50%020%0.198CC..Hα-helixtrans-61.6-41.7174.8-68.50000113C19 I23 R25 L36 Q43 L58C19-C21 PolarHBondContact O-N 2.87Å; C19-C21 VanDerWaalsContact O-N 3.15Å; C21-I23 VanDerWaalsContact C-N 3.31Å; C21-R25 WeakPolarHBondContact O-CB 3.41Å; C21-R25 WeakPolarHBondContact O-CG 3.32Å; C21-R25 PolarHBondContact O-N 3.02Å; C21-L36 HydrophobicContact CB-CD1 4.09Å; C21-Q43 PolarHBondContact SG-OE1 3.38Å; C21-Q43 VanDerWaalsContact SG-OE1 3.33Å; C21-L58 HydrophobicContact CB-CB 3.73Å; C21-L58 HydrophobicContact CB-CD1 4.21Å; C21-L58 PolarHBondContact SG-O 2.99Å
22C97.1Very high90.8Very high0 Ų040.7 Ų40.70%020%0.196CC..Hα-helixtrans-66.5-34.8173.7-83.50000112.4I18 C19 K20 R25 L26 L53 C54I18-C22 HydrophobicContact CG2-CB 3.36Å; C19-C22 WeakPolarHBondContact O-CA 3.47Å; C19-C22 WeakPolarHBondContact O-CB 3.19Å; C19-C22 PolarHBondContact O-N 3.18Å; K20-C22 PolarHBondContact O-N 2.69Å; C22-R25 WeakPolarHBondContact O-CG 3.42Å; C22-R25 PolarHBondContact SG-NE 3.1Å; C22-R25 VanDerWaalsContact SG-NE 3.44Å; C22-L26 WeakPolarHBondContact O-CB 3.35Å; C22-L26 WeakPolarHBondContact O-CD1 3.44Å; C22-L26 WeakPolarHBondContact O-CG 3.46Å; C22-L26 PolarHBondContact O-N 2.94Å; C22-L53 HydrophobicContact CB-CD1 4.22Å; C22-C54 VanDerWaalsContact SG-CB 3.5Å; C22-C54 VanDerWaalsContact SG-SG 3.64Å
23I96.3Very high90.9Very high6 Ų641.3 Ų41.33%0.03120%0.201CC..Hα-helixtrans-66-49.5178.2-65179.5000110Q10 M13 L14 I18 C19 K20 C21 L26 T27Q10-I23 HydrophobicContact CB-CG2 3.77Å; Q10-I23 HydrophobicContact CG-CG2 3.48Å; Q10-I23 VanDerWaalsContact CG-CG2 3.48Å; M13-I23 HydrophobicContact CB-CD1 3.79Å; M13-I23 HydrophobicContact CB-CG1 3.67Å; M13-I23 HydrophobicContact SD-CB 4.44Å; M13-I23 HydrophobicContact SD-CG1 4.17Å; M13-I23 HydrophobicContact SD-CG2 4.3Å; L14-I23 HydrophobicContact CB-CD1 4.32Å; L14-I23 HydrophobicContact CD2-CD1 3.46Å; L14-I23 VanDerWaalsContact CD2-CD1 3.46Å; L14-I23 HydrophobicContact CG-CD1 3.47Å; L14-I23 VanDerWaalsContact CG-CD1 3.47Å; I18-I23 HydrophobicContact CB-CG1 4.32Å; I18-I23 HydrophobicContact CG2-CG1 3.92Å; C19-I23 WeakPolarHBondContact O-CG1 3.39Å; C19-I23 PolarHBondContact O-N 3.4Å; K20-I23 WeakPolarHBondContact O-CB 3.47Å; K20-I23 PolarHBondContact O-N 2.93Å; K20-I23 VanDerWaalsContact O-N 3.16Å; C21-I23 VanDerWaalsContact C-N 3.31Å; I23-L26 PolarHBondContact O-N 3.24Å; I23-T27 HydrophobicContact CG2-CG2 4.46Å; I23-T27 WeakPolarHBondContact O-CB 3.42Å; I23-T27 WeakPolarHBondContact O-CG2 3.45Å; I23-T27 PolarHBondContact O-N 2.95Å; I23-T27 PolarHBondContact O-OG1 3.28Å
24I95.2Very high90.9Very high34 Ų3446.1 Ų46.117%0.17423%0.225CC..Hα-helixtrans-67-43.1-176.4-68.8-73.8000111.4K20 L26 T27 N28 V39K20-I24 WeakPolarHBondContact O-CG1 3.38Å; K20-I24 PolarHBondContact O-N 3.16Å; I24-L26 PolarHBondContact O-N 3.19Å; I24-L26 VanDerWaalsContact O-N 3.16Å; I24-T27 PolarHBondContact O-N 3.37Å; I24-N28 HydrophobicContact CG2-CB 4.15Å; I24-N28 VanDerWaalsContact O-CB 3.23Å; I24-N28 WeakPolarHBondContact O-CB 3.41Å; I24-N28 PolarHBondContact O-N 3.37Å; I24-V39 HydrophobicContact CB-CG2 4.45Å; I24-V39 HydrophobicContact CD1-CG2 4.41Å; I24-V39 HydrophobicContact CG1-CG1 4.2Å; I24-V39 HydrophobicContact CG1-CG2 3.82Å; I24-V39 HydrophobicContact CG2-CG2 4.44Å
25R95.7Very high91Very high1 Ų144.6 Ų44.60%0.00422%0.218CC..Hα-helixtrans-63.2-22.517884.1-177.7172.178.55113.9C21 C22 L36 E120 I167C21-R25 WeakPolarHBondContact O-CB 3.41Å; C21-R25 WeakPolarHBondContact O-CG 3.32Å; C21-R25 PolarHBondContact O-N 3.02Å; C22-R25 WeakPolarHBondContact O-CG 3.42Å; C22-R25 PolarHBondContact SG-NE 3.1Å; C22-R25 VanDerWaalsContact SG-NE 3.44Å; R25-L36 HydrophobicContact CB-CD1 4.22Å; R25-E120 IonicContact CZ-OE1 3.48Å; R25-E120 IonicContact NH1-OE1 2.7Å; R25-E120 PolarHBondContact NH1-OE1 3.04Å; R25-E120 IonicContact NH2-OE1 3.55Å; R25-E120 PolarHBondContact NH2-OE1 2.77Å; R25-I167 HydrophobicContact CB-CB 4.21Å; R25-I167 PolarHBondContact NH1-O 2.73Å; R25-I167 PolarHBondContact O-N 2.82Å
26L95.1Very high91.3Very high2 Ų239.5 Ų39.51%0.0119%0.191CC..Hα-helixtrans-97.5-28.3-178.9-68-179.6000113M13 C22 I23 I24 L53 L123 W124 A166M13-L26 HydrophobicContact CE-CB 4.31Å; M13-L26 HydrophobicContact CE-CD1 4.3Å; C22-L26 WeakPolarHBondContact O-CB 3.35Å; C22-L26 WeakPolarHBondContact O-CD1 3.44Å; C22-L26 WeakPolarHBondContact O-CG 3.46Å; C22-L26 PolarHBondContact O-N 2.94Å; I23-L26 PolarHBondContact O-N 3.24Å; I24-L26 PolarHBondContact O-N 3.19Å; I24-L26 VanDerWaalsContact O-N 3.16Å; L26-L53 HydrophobicContact CD1-CD1 3.7Å; L26-L123 HydrophobicContact CD1-CD2 3.81Å; L26-W124 HydrophobicContact CB-CH2 4.14Å; L26-W124 HydrophobicContact CD2-CH2 4.29Å; L26-W124 HydrophobicContact CD2-CZ2 3.82Å; L26-A166 HydrophobicContact CD2-CB 3.71Å
27T92.8Very high91.6Very high2 Ų239.5 Ų39.51%0.01219%0.191CC..Hα-helixtrans-107.8-24.1-171.759.70000113.8I9 Q10 M13 I23 I24 G29 L162I9-T27 HydrophobicContact CG2-CG2 3.97Å; Q10-T27 HydrophobicContact CG-CG2 4.09Å; Q10-T27 PolarHBondContact NE2-OG1 3.45Å; M13-T27 HydrophobicContact CE-CG2 3.91Å; M13-T27 HydrophobicContact SD-CG2 3.91Å; I23-T27 HydrophobicContact CG2-CG2 4.46Å; I23-T27 WeakPolarHBondContact O-CB 3.42Å; I23-T27 WeakPolarHBondContact O-CG2 3.45Å; I23-T27 PolarHBondContact O-N 2.95Å; I23-T27 PolarHBondContact O-OG1 3.28Å; I24-T27 PolarHBondContact O-N 3.37Å; T27-G29 PolarHBondContact O-N 3.04Å; T27-L162 HydrophobicContact CG2-CD1 4.47Å; T27-L162 WeakPolarHBondContact O-CD2 3.49Å
28N85.8Confident91.8Very high58 Ų5841.4 Ų41.431%0.3120%0.202SC..SBendtrans-89.599.3179-173.715000109.4I24 R30 C31 D35I24-N28 HydrophobicContact CG2-CB 4.15Å; I24-N28 VanDerWaalsContact O-CB 3.23Å; I24-N28 WeakPolarHBondContact O-CB 3.41Å; I24-N28 PolarHBondContact O-N 3.37Å; N28-R30 PolarHBondContact O-N 2.92Å; N28-C31 HydrophobicContact CB-CB 4Å; N28-C31 WeakPolarHBondContact O-CB 3.19Å; N28-C31 PolarHBondContact O-N 2.98Å; N28-D35 PolarHBondContact ND2-OD2 3Å
29G71.6Confident91.8Very high25 Ų2542.5 Ų42.526%0.25821%0.208SC..THydrogen-bonded Turntrans-59.1-4.6-16900000116.8T27 Y165T27-G29 PolarHBondContact O-N 3.04Å; G29-Y165 VanDerWaalsContact O-CB 3.32Å; G29-Y165 WeakPolarHBondContact O-CB 2.84Å; G29-Y165 WeakPolarHBondContact O-CD1 3.3Å
30R75Confident91.8Very high196 Ų19643.3 Ų43.374%0.7421%0.212SC*.THydrogen-bonded Turntrans-14637.5170.7-63.3-173179.6174.9-0.3111.6N28 Q32N28-R30 PolarHBondContact O-N 2.92Å; R30-Q32 PolarHBondContact O-N 3.23Å; R30-Q32 PolarHBondContact O-NE2 3.33Å
31C85.2Confident91.7Very high5 Ų543.9 Ų43.93%0.03422%0.216CC..  trans-46.9113.3179.81800000110.4N28 I167N28-C31 HydrophobicContact CB-CB 4Å; N28-C31 WeakPolarHBondContact O-CB 3.19Å; N28-C31 PolarHBondContact O-N 2.98Å; C31-I167 HydrophobicContact CB-CD1 3.57Å; C31-I167 WeakPolarHBondContact O-CD1 3.37Å
32Q88.8Confident91.5Very high113 Ų11347.5 Ų47.553%0.52824%0.241SC..  trans-84.5166.2173.8-61-57.4-47.800109.5R30 I34 D35 L36R30-Q32 PolarHBondContact O-N 3.23Å; R30-Q32 PolarHBondContact O-NE2 3.33Å; Q32-I34 HydrophobicContact CB-CG2 4.02Å; Q32-I34 PolarHBondContact O-N 2.85Å; Q32-D35 PolarHBondContact N-OD2 3.4Å; Q32-D35 PolarHBondContact O-N 3.06Å; Q32-L36 PolarHBondContact O-N 3.29Å
33Q92.2Very high91.3Very high63 Ų6348.4 Ų48.429%0.29425%0.245SC..Hα-helixtrans-54.4-43.5174177.7169.316.400111.5D35 L36 L37 W175 Y191Q33-D35 PolarHBondContact O-N 2.77Å; Q33-L36 PolarHBondContact O-N 3.46Å; Q33-L37 HydrophobicContact CG-CD1 3.81Å; Q33-L37 HydrophobicContact CG-CG 4.25Å; Q33-L37 WeakPolarHBondContact O-CG 3.47Å; Q33-L37 PolarHBondContact O-N 3.5Å; Q33-W175 HydrophobicContact CB-CD2 3.95Å; Q33-W175 HydrophobicContact CB-CE3 4.2Å; Q33-W175 HydrophobicContact CB-CG 4.17Å; Q33-W175 HydrophobicContact CG-CB 3.93Å; Q33-W175 HydrophobicContact CG-CD2 4.12Å; Q33-W175 HydrophobicContact CG-CG 3.82Å; Q33-Y191 PolarHBondContact NE2-OH 3.47Å
34I93.5Very high91Very high100 Ų10052.1 Ų52.151%0.51328%0.277SS..Hα-helixtrans-62.6-38.8179.8-169.861000112.9Q32 L36 L37 N38Q32-I34 HydrophobicContact CB-CG2 4.02Å; Q32-I34 PolarHBondContact O-N 2.85Å; I34-L36 VanDerWaalsContact C-N 3.33Å; I34-L36 PolarHBondContact O-N 3.47Å; I34-L37 PolarHBondContact O-N 3.23Å; I34-N38 WeakPolarHBondContact O-CB 3.48Å; I34-N38 PolarHBondContact O-N 3.24Å; I34-N38 PolarHBondContact O-ND2 3.04Å
35D92.4Very high90.9Very high55 Ų5553.2 Ų53.229%0.29428%0.279SS..Hα-helixtrans-63.3-43.6178.5-58-38000110.5N28 Q32 Q33 V39N28-D35 PolarHBondContact ND2-OD2 3Å; Q32-D35 PolarHBondContact N-OD2 3.4Å; Q32-D35 PolarHBondContact O-N 3.06Å; Q33-D35 PolarHBondContact O-N 2.77Å; D35-V39 WeakPolarHBondContact O-CG2 3.22Å; D35-V39 PolarHBondContact O-N 3.43Å
36L95.4Very high90.6Very high0 Ų057.1 Ų57.10%031%0.305CS..Hα-helixtrans-67.2-43.7178.4-168.481.6000111.4C21 R25 Q32 Q33 I34 V39 F40 A172 W175 I176C21-L36 HydrophobicContact CB-CD1 4.09Å; R25-L36 HydrophobicContact CB-CD1 4.22Å; Q32-L36 PolarHBondContact O-N 3.29Å; Q33-L36 PolarHBondContact O-N 3.46Å; I34-L36 VanDerWaalsContact C-N 3.33Å; I34-L36 PolarHBondContact O-N 3.47Å; L36-V39 PolarHBondContact O-N 3.41Å; L36-F40 WeakPolarHBondContact O-CB 3.26Å; L36-F40 PolarHBondContact O-N 3.16Å; L36-A172 HydrophobicContact CD2-CB 3.56Å; L36-W175 HydrophobicContact CB-CE3 4.16Å; L36-W175 HydrophobicContact CB-CZ3 4.47Å; L36-W175 HydrophobicContact CD2-CB 4.41Å; L36-W175 HydrophobicContact CD2-CE3 3.7Å; L36-W175 HydrophobicContact CD2-CZ3 4.45Å; L36-I176 HydrophobicContact CD2-CD1 4.23Å; L36-I176 HydrophobicContact CD2-CG1 4.2Å
37L95.7Very high90Very high23 Ų2363 Ų6312%0.1234%0.336CS..Hα-helixtrans-66-41.5-178.7-72177.6000112.3Q33 I34 V39 F40 H41 I176Q33-L37 HydrophobicContact CG-CD1 3.81Å; Q33-L37 HydrophobicContact CG-CG 4.25Å; Q33-L37 WeakPolarHBondContact O-CG 3.47Å; Q33-L37 PolarHBondContact O-N 3.5Å; I34-L37 PolarHBondContact O-N 3.23Å; L37-V39 PolarHBondContact O-N 3.21Å; L37-F40 WeakPolarHBondContact O-CB 3.44Å; L37-F40 PolarHBondContact O-N 3.24Å; L37-H41 WeakPolarHBondContact O-CB 3.45Å; L37-H41 PolarHBondContact O-CD2 3.45Å; L37-H41 PolarHBondContact O-N 3.36Å; L37-I176 HydrophobicContact CD2-CG1 4.37Å
38N95.3Very high89.7Confident97 Ų9770.5 Ų70.552%0.51937%0.371SS..Hα-helixtrans-57.6-41.2174.2-71.9-19.8000111.4I34 S42I34-N38 WeakPolarHBondContact O-CB 3.48Å; I34-N38 PolarHBondContact O-N 3.24Å; I34-N38 PolarHBondContact O-ND2 3.04Å; N38-S42 WeakPolarHBondContact O-CB 3.41Å; N38-S42 PolarHBondContact O-N 3.1Å; N38-S42 VanDerWaalsContact O-N 3.15Å; N38-S42 PolarHBondContact O-OG 2.94Å
39V95.3Very high90Very high26 Ų2669.6 Ų69.616%0.15836%0.364CS..Hα-helixtrans-69.9-43.4177.9173.40000110.9K20 I24 D35 L36 L37 H41 S42 Q43K20-V39 HydrophobicContact CB-CG1 3.49Å; K20-V39 VanDerWaalsContact CB-CG1 3.49Å; I24-V39 HydrophobicContact CB-CG2 4.45Å; I24-V39 HydrophobicContact CD1-CG2 4.41Å; I24-V39 HydrophobicContact CG1-CG1 4.2Å; I24-V39 HydrophobicContact CG1-CG2 3.82Å; I24-V39 HydrophobicContact CG2-CG2 4.44Å; D35-V39 WeakPolarHBondContact O-CG2 3.22Å; D35-V39 PolarHBondContact O-N 3.43Å; L36-V39 PolarHBondContact O-N 3.41Å; L37-V39 PolarHBondContact O-N 3.21Å; V39-H41 PolarHBondContact O-N 3.5Å; V39-S42 PolarHBondContact O-N 2.7Å; V39-S42 PolarHBondContact O-OG 2.9Å; V39-Q43 PolarHBondContact O-N 3.13Å; V39-Q43 VanDerWaalsContact O-N 3.12Å
40F96Very high91.1Very high16 Ų1669.1 Ų69.17%0.0736%0.356CS..Hα-helixtrans-57-48.7176.4176.9-97.2000111.4L36 L37 S42 Q43 L58 D65 I176L36-F40 WeakPolarHBondContact O-CB 3.26Å; L36-F40 PolarHBondContact O-N 3.16Å; L37-F40 WeakPolarHBondContact O-CB 3.44Å; L37-F40 PolarHBondContact O-N 3.24Å; F40-S42 VanDerWaalsContact C-N 3.28Å; F40-S42 PolarHBondContact O-N 3.41Å; F40-Q43 VanDerWaalsContact O-CG 3.23Å; F40-Q43 WeakPolarHBondContact O-CG 3.38Å; F40-Q43 PolarHBondContact O-N 2.9Å; F40-Q43 PolarHBondContact O-NE2 3.04Å; F40-L58 WeakPolarHBondContact CD2-O 3.07Å; F40-D65 HydrophobicContact CZ-CB 4.42Å; F40-I176 HydrophobicContact CB-CG1 4.4Å; F40-I176 HydrophobicContact CD1-CG2 4.13Å; F40-I176 HydrophobicContact CD2-CD1 3.59Å; F40-I176 HydrophobicContact CD2-CG1 3.89Å; F40-I176 HydrophobicContact CD2-CG2 3.79Å; F40-I176 HydrophobicContact CE1-CG2 3.8Å; F40-I176 HydrophobicContact CE2-CD1 4.12Å; F40-I176 HydrophobicContact CE2-CG1 4.4Å; F40-I176 HydrophobicContact CE2-CG2 3.46Å; F40-I176 VanDerWaalsContact CE2-CG2 3.46Å; F40-I176 HydrophobicContact CG-CD1 4.2Å; F40-I176 HydrophobicContact CG-CG1 4.04Å; F40-I176 HydrophobicContact CG-CG2 4.14Å; F40-I176 HydrophobicContact CZ-CG2 3.46Å; F40-I176 VanDerWaalsContact CZ-CG2 3.46Å
41H94Very high92Very high100 Ų10059.8 Ų59.846%0.46332%0.32SS..Hα-helixtrans-69.4-24.6179.7-66.9-48.1000113.1L37 V39 E179L37-H41 WeakPolarHBondContact O-CB 3.45Å; L37-H41 PolarHBondContact O-CD2 3.45Å; L37-H41 PolarHBondContact O-N 3.36Å; V39-H41 PolarHBondContact O-N 3.5Å; H41-E179 IonicContact CE1-OE2 2.88Å; H41-E179 PolarHBondContact CE1-OE2 2.81Å; H41-E179 IonicContact NE2-OE2 3.42Å; H41-E179 PolarHBondContact NE2-OE2 3.29Å
42S93.8Very high92.4Very high75 Ų7560.1 Ų60.152%0.52432%0.321SS..Hα-helixtrans-87.4-8.7177.777.40000114.8N38 V39 F40N38-S42 WeakPolarHBondContact O-CB 3.41Å; N38-S42 PolarHBondContact O-N 3.1Å; N38-S42 VanDerWaalsContact O-N 3.15Å; N38-S42 PolarHBondContact O-OG 2.94Å; V39-S42 PolarHBondContact O-N 2.7Å; V39-S42 PolarHBondContact O-OG 2.9Å; F40-S42 VanDerWaalsContact C-N 3.28Å; F40-S42 PolarHBondContact O-N 3.41Å
43Q92.2Very high92.7Very high19 Ų1954.7 Ų54.79%0.08930%0.296CS..  trans-86.4137.1-176.384.9-162.7-28.900110.4K20 C21 V39 F40 Y45 L58 H59K20-Q43 HydrophobicContact CD-CB 4.26Å; C21-Q43 PolarHBondContact SG-OE1 3.38Å; C21-Q43 VanDerWaalsContact SG-OE1 3.33Å; V39-Q43 PolarHBondContact O-N 3.13Å; V39-Q43 VanDerWaalsContact O-N 3.12Å; F40-Q43 VanDerWaalsContact O-CG 3.23Å; F40-Q43 WeakPolarHBondContact O-CG 3.38Å; F40-Q43 PolarHBondContact O-N 2.9Å; F40-Q43 PolarHBondContact O-NE2 3.04Å; Q43-Y45 HydrophobicContact CB-CD2 4.42Å; Q43-Y45 HydrophobicContact CB-CE2 3.69Å; Q43-Y45 HydrophobicContact CG-CD2 4.14Å; Q43-Y45 HydrophobicContact CG-CE2 3.65Å; Q43-L58 PolarHBondContact NE2-O 3.44Å; Q43-H59 HydrophobicContact CG-CB 4.38Å; Q43-H59 VanDerWaalsContact NE2-CA 3.32Å; Q43-H59 VanDerWaalsContact NE2-CB 3.33Å
44A90.4Very high92.9Very high84 Ų8451.7 Ų51.769%0.69428%0.282SS*.  trans-136.8122.7171.800000106.8
45Y92Very high93Very high57 Ų5747 Ų4722%0.22426%0.258CS..  trans-126.9154.3175.4-57.6-76.4000109.3C19 K20 Q43 F49 H59C19-Y45 WeakPolarHBondContact CA-OH 3.28Å; C19-Y45 HydrophobicContact CB-CE2 4.03Å; K20-Y45 WeakPolarHBondContact CG-OH 3.46Å; K20-Y45 PolarHBondContact N-OH 2.81Å; Q43-Y45 HydrophobicContact CB-CD2 4.42Å; Q43-Y45 HydrophobicContact CB-CE2 3.69Å; Q43-Y45 HydrophobicContact CG-CD2 4.14Å; Q43-Y45 HydrophobicContact CG-CE2 3.65Å; Y45-F49 AromaticContact CD1-CD1 3.5Å; Y45-F49 HydrophobicContact CD1-CD1 3.5Å; Y45-F49 VanDerWaalsContact CD1-CD1 3.5Å; Y45-F49 HydrophobicContact CD1-CD2 4.38Å; Y45-F49 AromaticContact CD1-CE1 3.5Å; Y45-F49 HydrophobicContact CD1-CE1 3.5Å; Y45-F49 VanDerWaalsContact CD1-CE1 3.5Å; Y45-F49 HydrophobicContact CD1-CE2 4.38Å; Y45-F49 AromaticContact CD1-CG 3.97Å; Y45-F49 HydrophobicContact CD1-CG 3.97Å; Y45-F49 AromaticContact CD1-CZ 3.96Å; Y45-F49 HydrophobicContact CD1-CZ 3.96Å; Y45-F49 AromaticContact CD2-CD1 3.89Å; Y45-F49 HydrophobicContact CD2-CD1 3.89Å; Y45-F49 AromaticContact CD2-CE1 3.96Å; Y45-F49 HydrophobicContact CD2-CE1 3.96Å; Y45-F49 HydrophobicContact CE1-CD1 4.18Å; Y45-F49 AromaticContact CE1-CE1 3.68Å; Y45-F49 HydrophobicContact CE1-CE1 3.68Å; Y45-F49 AromaticContact CE1-CZ 3.93Å; Y45-F49 HydrophobicContact CE1-CZ 3.93Å; Y45-F49 HydrophobicContact CE2-CE1 4.12Å; Y45-F49 AromaticContact CG-CD1 3.35Å; Y45-F49 HydrophobicContact CG-CD1 3.35Å; Y45-F49 AromaticContact CG-CE1 3.66Å; Y45-F49 HydrophobicContact CG-CE1 3.66Å; Y45-F49 HydrophobicContact CG-CG 4.04Å; Y45-H59 HydrophobicContact CD2-CB 3.93Å; Y45-H59 AromaticContact CD2-CG 3.93Å; Y45-H59 AromaticContact CD2-ND1 3.71Å; Y45-H59 HydrophobicContact CE2-CB 3.84Å
46P89.6Confident93.1Very high84 Ų8444.3 Ų44.355%0.54524%0.244SC..  trans-57.4152.9166.1-21.333000111.4E48 F49P46-E48 VanDerWaalsContact CB-OE2 3.23Å; P46-E48 WeakPolarHBondContact CB-OE2 3.43Å; P46-E48 PolarHBondContact O-N 2.89Å; P46-F49 VanDerWaalsContact O-CB 3.31Å; P46-F49 WeakPolarHBondContact O-CB 3.3Å; P46-F49 PolarHBondContact O-N 3.49Å
47D83.1Confident93.2Very high125 Ų12544.4 Ų44.467%0.66824%0.244SC*.THydrogen-bonded Turntrans-61.3-27.7-178.2-68.8-23000112.5F49D47-F49 VanDerWaalsContact C-N 3.34Å
48E87.1Confident93.3Very high159 Ų15943.3 Ų43.374%0.74324%0.238SC*.THydrogen-bonded Turntrans-81-12.9178.7-44.283.9-179.700113.3P46 I50P46-E48 VanDerWaalsContact CB-OE2 3.23Å; P46-E48 WeakPolarHBondContact CB-OE2 3.43Å; P46-E48 PolarHBondContact O-N 2.89Å; E48-I50 PolarHBondContact O-N 3.33Å
49F92.3Very high93.3Very high39 Ų3939.6 Ų39.617%0.17122%0.218CC..  trans-70.4127.3-179.2174.4-98.4000110.3N17 C19 Y45 P46 D47 C51 H59N17-F49 HydrophobicContact CB-CE2 4.07Å; C19-F49 HydrophobicContact CB-CE1 4.19Å; Y45-F49 AromaticContact CD1-CD1 3.5Å; Y45-F49 HydrophobicContact CD1-CD1 3.5Å; Y45-F49 VanDerWaalsContact CD1-CD1 3.5Å; Y45-F49 HydrophobicContact CD1-CD2 4.38Å; Y45-F49 AromaticContact CD1-CE1 3.5Å; Y45-F49 HydrophobicContact CD1-CE1 3.5Å; Y45-F49 VanDerWaalsContact CD1-CE1 3.5Å; Y45-F49 HydrophobicContact CD1-CE2 4.38Å; Y45-F49 AromaticContact CD1-CG 3.97Å; Y45-F49 HydrophobicContact CD1-CG 3.97Å; Y45-F49 AromaticContact CD1-CZ 3.96Å; Y45-F49 HydrophobicContact CD1-CZ 3.96Å; Y45-F49 AromaticContact CD2-CD1 3.89Å; Y45-F49 HydrophobicContact CD2-CD1 3.89Å; Y45-F49 AromaticContact CD2-CE1 3.96Å; Y45-F49 HydrophobicContact CD2-CE1 3.96Å; Y45-F49 HydrophobicContact CE1-CD1 4.18Å; Y45-F49 AromaticContact CE1-CE1 3.68Å; Y45-F49 HydrophobicContact CE1-CE1 3.68Å; Y45-F49 AromaticContact CE1-CZ 3.93Å; Y45-F49 HydrophobicContact CE1-CZ 3.93Å; Y45-F49 HydrophobicContact CE2-CE1 4.12Å; Y45-F49 AromaticContact CG-CD1 3.35Å; Y45-F49 HydrophobicContact CG-CD1 3.35Å; Y45-F49 AromaticContact CG-CE1 3.66Å; Y45-F49 HydrophobicContact CG-CE1 3.66Å; Y45-F49 HydrophobicContact CG-CG 4.04Å; P46-F49 VanDerWaalsContact O-CB 3.31Å; P46-F49 WeakPolarHBondContact O-CB 3.3Å; P46-F49 PolarHBondContact O-N 3.49Å; D47-F49 VanDerWaalsContact C-N 3.34Å; F49-C51 HydrophobicContact CE1-CB 4.41Å; F49-H59 AromaticContact CD1-CE1 3.43Å; F49-H59 VanDerWaalsContact CD1-CE1 3.43Å; F49-H59 WeakPolarHBondContact CD1-CE1 3.27Å; F49-H59 AromaticContact CD1-ND1 3.79Å; F49-H59 AromaticContact CD1-NE2 3.94Å; F49-H59 AromaticContact CE1-CE1 3.78Å; F49-H59 AromaticContact CE1-NE2 3.84Å; F49-H59 PolarHBondContact O-CE1 3Å
50I93.4Very high93.3Very high15 Ų1538.9 Ų38.98%0.07721%0.213CC..  trans-130114.6171.6-57.9-66.4000109.5E48 K52 C362 P364E48-I50 PolarHBondContact O-N 3.33Å; I50-K52 PolarHBondContact O-N 3.29Å; I50-C362 HydrophobicContact CB-CB 4.13Å; I50-C362 WeakPolarHBondContact CB-O 3.19Å; I50-C362 HydrophobicContact CG2-CB 4.14Å; I50-P364 HydrophobicContact CD1-CB 4.01Å
51C94.7Very high93.2Very high0 Ų040 Ų400%022%0.222CC..  trans-48.6126.3172.4176.50000112.4N17 C19 F49 L53 C54 F55 H59N17-C51 WeakPolarHBondContact O-CA 3.39Å; C19-C51 HydrophobicContact CB-CB 3.89Å; C19-C51 PolarHBondContact N-SG 3.24Å; C19-C51 VanDerWaalsContact SG-SG 3.65Å; F49-C51 HydrophobicContact CE1-CB 4.41Å; C51-L53 PolarHBondContact O-N 3.41Å; C51-L53 PolarHBondContact SG-N 2.87Å; C51-L53 VanDerWaalsContact SG-N 3.44Å; C51-C54 VanDerWaalsContact CB-SG 3.59Å; C51-F55 WeakPolarHBondContact O-CA 3.32Å; C51-F55 PolarHBondContact O-N 3.49Å; C51-H59 WeakPolarHBondContact CB-NE2 3.26Å; C51-H59 PolarHBondContact N-NE2 2.93Å; C51-H59 VanDerWaalsContact N-NE2 3.17Å
52K93.5Very high93.2Very high12 Ų1239.7 Ų39.75%0.05222%0.217CC..THydrogen-bonded Turntrans-62.4-24.5179.9-69.8-166.2-174.1170.90114.1F16 N17 I50 R119 L354 T357F16-K52 WeakPolarHBondContact O-CD 3.17Å; F16-K52 WeakPolarHBondContact O-CE 3.4Å; N17-K52 HydrophobicContact CB-CG 4.38Å; N17-K52 PolarHBondContact O-N 3.12Å; I50-K52 PolarHBondContact O-N 3.29Å; K52-R119 WeakPolarHBondContact O-CD 3.27Å; K52-R119 PolarHBondContact O-NH1 2.89Å; K52-L354 PolarHBondContact NZ-O 2.99Å; K52-T357 WeakPolarHBondContact CE-O 3.35Å; K52-T357 PolarHBondContact NZ-O 3.13Å; K52-T357 PolarHBondContact NZ-OG1 2.98Å
53L94.8Very high93.3Very high0 Ų036.1 Ų36.10%019%0.192CC..THydrogen-bonded Turntrans-90.3-59.7179.7-64.5-177000112.7I18 C22 L26 C51 F55 I116 R119 E120 L123I18-L53 HydrophobicContact CD1-CD1 3.9Å; I18-L53 HydrophobicContact CD1-CG 4.05Å; I18-L53 HydrophobicContact CG1-CD1 4.2Å; I18-L53 HydrophobicContact CG1-CG 4.03Å; I18-L53 HydrophobicContact CG2-CD1 3.66Å; I18-L53 HydrophobicContact CG2-CG 4.11Å; C22-L53 HydrophobicContact CB-CD1 4.22Å; L26-L53 HydrophobicContact CD1-CD1 3.7Å; C51-L53 PolarHBondContact O-N 3.41Å; C51-L53 PolarHBondContact SG-N 2.87Å; C51-L53 VanDerWaalsContact SG-N 3.44Å; L53-F55 WeakPolarHBondContact O-CD2 3.17Å; L53-F55 WeakPolarHBondContact O-CE2 3.05Å; L53-I116 WeakPolarHBondContact O-CG1 3.42Å; L53-R119 HydrophobicContact CD2-CB 3.81Å; L53-E120 HydrophobicContact CD2-CG 4.48Å; L53-L123 HydrophobicContact CD1-CD2 3.73Å; L53-L123 HydrophobicContact CD2-CD2 4.42Å
54C96.3Very high93.5Very high0 Ų035.3 Ų35.30%019%0.189CC..THydrogen-bonded Turntrans-88.7-0.3-171.768.90000114.4C22 C51 G56 L57 L58 V169C22-C54 VanDerWaalsContact SG-CB 3.5Å; C22-C54 VanDerWaalsContact SG-SG 3.64Å; C51-C54 VanDerWaalsContact CB-SG 3.59Å; C54-G56 PolarHBondContact O-N 2.73Å; C54-L57 HydrophobicContact CB-CB 4.29Å; C54-L57 VanDerWaalsContact O-CB 3.3Å; C54-L57 WeakPolarHBondContact O-CB 3.48Å; C54-L57 VanDerWaalsContact O-CG 3.27Å; C54-L57 WeakPolarHBondContact O-CG 3.44Å; C54-L57 PolarHBondContact O-N 3.33Å; C54-L58 HydrophobicContact CB-CD1 4.19Å; C54-L58 HydrophobicContact CB-CG 3.95Å; C54-V169 HydrophobicContact CB-CG1 3.93Å; C54-V169 HydrophobicContact CB-CG2 4.11Å
55F95.5Very high93.7Very high0 Ų032.8 Ų32.80%016%0.163CC..THydrogen-bonded Turntrans53.440.8-179.9-55-80.1000113C51 L53 L57 L63 P113 N115 I116 R119 N229 P364 A365C51-F55 WeakPolarHBondContact O-CA 3.32Å; C51-F55 PolarHBondContact O-N 3.49Å; L53-F55 WeakPolarHBondContact O-CD2 3.17Å; L53-F55 WeakPolarHBondContact O-CE2 3.05Å; F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 PolarHBondContact O-N 3.03Å; F55-L63 WeakPolarHBondContact O-CD1 3.25Å; F55-P113 HydrophobicContact CD2-CB 4.44Å; F55-P113 HydrophobicContact CD2-CG 4.45Å; F55-N115 WeakPolarHBondContact CE2-OD1 3.18Å; F55-N115 WeakPolarHBondContact CZ-ND2 3.45Å; F55-I116 HydrophobicContact CD2-CD1 4.17Å; F55-I116 HydrophobicContact CD2-CG1 3.63Å; F55-I116 HydrophobicContact CE2-CG1 3.63Å; F55-R119 HydrophobicContact CZ-CG 4.46Å; F55-R119 VanDerWaalsContact CZ-NE 3.26Å; F55-N229 HydrophobicContact CD1-CB 4.35Å; F55-N229 VanDerWaalsContact CD1-CG 3.48Å; F55-N229 WeakPolarHBondContact CD1-ND2 3.23Å; F55-N229 HydrophobicContact CD2-CB 4.4Å; F55-N229 HydrophobicContact CE1-CB 4.45Å; F55-N229 VanDerWaalsContact CE1-OD1 3.24Å; F55-N229 WeakPolarHBondContact CE1-OD1 3.29Å; F55-N229 HydrophobicContact CG-CB 4.31Å; F55-P364 CarbonylContact O-C 3.48Å; F55-P364 WeakPolarHBondContact O-CA 3.39Å; F55-A365 HydrophobicContact CB-CB 3.94Å; F55-A365 PolarHBondContact O-N 3.2Å
56G95.4Very high93.6Very high0 Ų030.7 Ų30.70%016%0.156CC..THydrogen-bonded Turntrans88.3-16.5-179.700000115.4C54 L58 H59 N60C54-G56 PolarHBondContact O-N 2.73Å; G56-L58 PolarHBondContact O-N 3.42Å; G56-H59 WeakPolarHBondContact CA-NE2 3.5Å; G56-H59 PolarHBondContact O-N 2.87Å; G56-H59 VanDerWaalsContact O-N 3.14Å; G56-N60 VanDerWaalsContact O-CB 3.29Å; G56-N60 WeakPolarHBondContact O-CB 3.49Å; G56-N60 PolarHBondContact O-N 2.95Å
57L97.4Very high93.6Very high2 Ų227.1 Ų27.11%0.0113%0.133CC..THydrogen-bonded Turntrans-56.5-26.2-174.4-70.9172.2000114.3C54 F55 L63 C64 P113 I116 V169 F227 A365C54-L57 HydrophobicContact CB-CB 4.29Å; C54-L57 VanDerWaalsContact O-CB 3.3Å; C54-L57 WeakPolarHBondContact O-CB 3.48Å; C54-L57 VanDerWaalsContact O-CG 3.27Å; C54-L57 WeakPolarHBondContact O-CG 3.44Å; C54-L57 PolarHBondContact O-N 3.33Å; F55-L57 VanDerWaalsContact C-N 3.31Å; F55-L57 PolarHBondContact O-N 3.03Å; L57-L63 HydrophobicContact CD2-CB 4.43Å; L57-L63 HydrophobicContact CD2-CD1 4.38Å; L57-L63 HydrophobicContact CD2-CD2 4.25Å; L57-C64 WeakPolarHBondContact O-CB 3.49Å; L57-P113 HydrophobicContact CD1-CG 4.41Å; L57-I116 HydrophobicContact CD1-CD1 3.91Å; L57-V169 HydrophobicContact CB-CG1 4.07Å; L57-V169 HydrophobicContact CD1-CG1 3.88Å; L57-F227 HydrophobicContact CD2-CD1 3.62Å; L57-F227 HydrophobicContact CD2-CD2 4.16Å; L57-F227 HydrophobicContact CD2-CE1 3.58Å; L57-F227 HydrophobicContact CD2-CE2 4.13Å; L57-F227 HydrophobicContact CD2-CG 3.91Å; L57-F227 HydrophobicContact CD2-CZ 3.84Å; L57-A365 HydrophobicContact CD1-CB 4.22Å; L57-A365 HydrophobicContact CD2-CB 3.91Å; L57-A365 HydrophobicContact CG-CB 3.83Å
58L97.5Very high93.4Very high0 Ų031.2 Ų31.20%014%0.139CC..THydrogen-bonded Turntrans-110.111.6-175.4-52.8-178.3000114.1C21 F40 Q43 C54 G56 V169 A172 W173 I176C21-L58 HydrophobicContact CB-CB 3.73Å; C21-L58 HydrophobicContact CB-CD1 4.21Å; C21-L58 PolarHBondContact SG-O 2.99Å; F40-L58 WeakPolarHBondContact CD2-O 3.07Å; Q43-L58 PolarHBondContact NE2-O 3.44Å; C54-L58 HydrophobicContact CB-CD1 4.19Å; C54-L58 HydrophobicContact CB-CG 3.95Å; G56-L58 PolarHBondContact O-N 3.42Å; L58-V169 HydrophobicContact CD1-CG1 4.27Å; L58-V169 HydrophobicContact CD1-CG2 4.39Å; L58-V169 HydrophobicContact CD2-CG1 4.07Å; L58-V169 HydrophobicContact CG-CG1 4.09Å; L58-A172 HydrophobicContact CD1-CB 3.98Å; L58-A172 HydrophobicContact CD2-CB 3.75Å; L58-W173 HydrophobicContact CD2-CB 4.04Å; L58-I176 HydrophobicContact CB-CD1 4.11Å; L58-I176 HydrophobicContact CD2-CD1 3.84Å
59H95.5Very high92.3Very high18 Ų1831 Ų318%0.08314%0.143CC..THydrogen-bonded Turntrans-156.9-24.7-179.174.781.8000115.5C19 Q43 Y45 F49 C51 G56 P61C19-H59 HydrophobicContact CB-CB 4.31Å; Q43-H59 HydrophobicContact CG-CB 4.38Å; Q43-H59 VanDerWaalsContact NE2-CA 3.32Å; Q43-H59 VanDerWaalsContact NE2-CB 3.33Å; Y45-H59 HydrophobicContact CD2-CB 3.93Å; Y45-H59 AromaticContact CD2-CG 3.93Å; Y45-H59 AromaticContact CD2-ND1 3.71Å; Y45-H59 HydrophobicContact CE2-CB 3.84Å; F49-H59 AromaticContact CD1-CE1 3.43Å; F49-H59 VanDerWaalsContact CD1-CE1 3.43Å; F49-H59 WeakPolarHBondContact CD1-CE1 3.27Å; F49-H59 AromaticContact CD1-ND1 3.79Å; F49-H59 AromaticContact CD1-NE2 3.94Å; F49-H59 AromaticContact CE1-CE1 3.78Å; F49-H59 AromaticContact CE1-NE2 3.84Å; F49-H59 PolarHBondContact O-CE1 3Å; C51-H59 WeakPolarHBondContact CB-NE2 3.26Å; C51-H59 PolarHBondContact N-NE2 2.93Å; C51-H59 VanDerWaalsContact N-NE2 3.17Å; G56-H59 WeakPolarHBondContact CA-NE2 3.5Å; G56-H59 PolarHBondContact O-N 2.87Å; G56-H59 VanDerWaalsContact O-N 3.14Å; H59-P61 WeakPolarHBondContact O-CD 3.29Å
60N94.6Very high90.5Very high11 Ų1131.9 Ų31.96%0.05915%0.149CC..  trans-78.7121.8-177.9-176.6-70.3000109.7G56 Y62 L63 C64G56-N60 VanDerWaalsContact O-CB 3.29Å; G56-N60 WeakPolarHBondContact O-CB 3.49Å; G56-N60 PolarHBondContact O-N 2.95Å; N60-Y62 VanDerWaalsContact C-N 3.28Å; N60-Y62 PolarHBondContact O-N 3.07Å; N60-Y62 WeakPolarHBondContact OD1-CB 3.26Å; N60-Y62 WeakPolarHBondContact OD1-CD2 3.45Å; N60-Y62 PolarHBondContact OD1-N 3.04Å; N60-L63 HydrophobicContact CB-CD1 4.33Å; N60-L63 PolarHBondContact O-N 3.24Å; N60-C64 PolarHBondContact O-N 3.32Å; N60-C64 PolarHBondContact O-SG 3Å
61P93.9Very high88.3Confident39 Ų3937 Ų3725%0.25318%0.177SC..Hα-helixtrans-56.5-37.3-175.1-2835.8000114.1H59 L63 C64 D65 Y87H59-P61 WeakPolarHBondContact O-CD 3.29Å; P61-L63 PolarHBondContact O-N 3.5Å; P61-L63 VanDerWaalsContact O-N 3.15Å; P61-C64 PolarHBondContact O-N 2.99Å; P61-D65 HydrophobicContact CB-CB 4.27Å; P61-D65 CarbonylContact O-C 3.35Å; P61-D65 WeakPolarHBondContact O-CA 3.47Å; P61-D65 PolarHBondContact O-N 2.68Å; P61-Y87 HydrophobicContact CB-CE1 4.13Å; P61-Y87 WeakPolarHBondContact O-CD1 3.29Å
62Y94.5Very high86.2Confident95 Ų9545.8 Ų45.837%0.37322%0.218SC..Hα-helixtrans-62.9-23.8179.2-57.5-62.2000113.1N60 K86 Y87 V88N60-Y62 VanDerWaalsContact C-N 3.28Å; N60-Y62 PolarHBondContact O-N 3.07Å; N60-Y62 WeakPolarHBondContact OD1-CB 3.26Å; N60-Y62 WeakPolarHBondContact OD1-CD2 3.45Å; N60-Y62 PolarHBondContact OD1-N 3.04Å; Y62-K86 HydrophobicContact CD1-CB 4.44Å; Y62-Y87 HydrophobicContact CD1-CD1 4.03Å; Y62-Y87 HydrophobicContact CD1-CD2 4.08Å; Y62-Y87 AromaticContact CD1-CE1 3.72Å; Y62-Y87 HydrophobicContact CD1-CE1 3.72Å; Y62-Y87 AromaticContact CD1-CE2 3.77Å; Y62-Y87 HydrophobicContact CD1-CE2 3.77Å; Y62-Y87 HydrophobicContact CD1-CG 4.2Å; Y62-Y87 AromaticContact CD1-CZ 3.59Å; Y62-Y87 HydrophobicContact CE1-CD2 4.44Å; Y62-Y87 HydrophobicContact CE1-CE1 4.08Å; Y62-Y87 AromaticContact CE1-CE2 3.72Å; Y62-Y87 HydrophobicContact CE1-CE2 3.72Å; Y62-Y87 AromaticContact CE1-CZ 3.52Å; Y62-V88 WeakPolarHBondContact O-CG2 3.32Å; Y62-V88 PolarHBondContact O-N 3.39Å
63L96Very high84.2Confident0 Ų050.2 Ų50.20%025%0.25CS..Hα-helixtrans-100.1-25.9-176.6-75171.2000114.7F55 L57 N60 P61 V88 W173 F227 V319 P364 A365F55-L63 WeakPolarHBondContact O-CD1 3.25Å; L57-L63 HydrophobicContact CD2-CB 4.43Å; L57-L63 HydrophobicContact CD2-CD1 4.38Å; L57-L63 HydrophobicContact CD2-CD2 4.25Å; N60-L63 HydrophobicContact CB-CD1 4.33Å; N60-L63 PolarHBondContact O-N 3.24Å; P61-L63 PolarHBondContact O-N 3.5Å; P61-L63 VanDerWaalsContact O-N 3.15Å; L63-V88 HydrophobicContact CD2-CG2 3.93Å; L63-W173 PolarHBondContact O-NE1 3.13Å; L63-F227 HydrophobicContact CD2-CE1 4.09Å; L63-V319 HydrophobicContact CD2-CB 3.76Å; L63-V319 HydrophobicContact CD2-CG1 3.88Å; L63-V319 HydrophobicContact CG-CB 4.3Å; L63-V319 HydrophobicContact CG-CG1 3.93Å; L63-P364 HydrophobicContact CD1-CB 4.02Å; L63-A365 HydrophobicContact CD1-CB 4.19Å; L63-A365 WeakPolarHBondContact CD2-O 3.33Å
64C95.4Very high81.9Confident1 Ų157.2 Ų57.21%0.00728%0.283CS..Hα-helixtrans-1446.9-170.464.80000115.2L57 N60 P61 I176L57-C64 WeakPolarHBondContact O-CB 3.49Å; N60-C64 PolarHBondContact O-N 3.32Å; N60-C64 PolarHBondContact O-SG 3Å; P61-C64 PolarHBondContact O-N 2.99Å; C64-I176 HydrophobicContact CB-CG2 3.93Å; C64-I176 WeakPolarHBondContact O-CG2 3.5Å
65D94.3Very high79.7Confident31 Ų3165.4 Ų65.417%0.16633%0.327CS..  trans-141.8-172.3178.9-152.8-7.4000111.1F40 P61F40-D65 HydrophobicContact CZ-CB 4.42Å; P61-D65 HydrophobicContact CB-CB 4.27Å; P61-D65 CarbonylContact O-C 3.35Å; P61-D65 WeakPolarHBondContact O-CA 3.47Å; P61-D65 PolarHBondContact O-N 2.68Å
66I91.8Very high77.8Confident14 Ų1472.8 Ų72.87%0.07236%0.361CS..  trans-121.7164.4176.960176.1000111L70 M77 L89 L90 K180 L184I66-L70 HydrophobicContact CD1-CD1 3.76Å; I66-M77 HydrophobicContact CD1-CE 3.71Å; I66-L89 HydrophobicContact CG2-CB 4.19Å; I66-L89 HydrophobicContact CG2-CD1 4.42Å; I66-L90 HydrophobicContact CG2-CD2 4.04Å; I66-L90 HydrophobicContact CG2-CG 4.35Å; I66-K180 HydrophobicContact CD1-CD 4.05Å; I66-K180 HydrophobicContact CD1-CG 4.41Å; I66-K180 HydrophobicContact CG1-CD 4.32Å; I66-K180 HydrophobicContact CG1-CG 4.35Å; I66-K180 HydrophobicContact CG2-CB 4.41Å; I66-L184 HydrophobicContact CG2-CD1 4.04Å
67P89.1Confident76.5Confident9 Ų976.8 Ų76.86%0.05838%0.381CS..  trans-55.3139175.7-22.830.3000113N69 F79 E83 Y87 L90P67-N69 VanDerWaalsContact C-N 3.32Å; P67-N69 PolarHBondContact O-N 3.27Å; P67-F79 HydrophobicContact CG-CD1 4.38Å; P67-F79 HydrophobicContact CG-CE1 4.24Å; P67-E83 HydrophobicContact CG-CG 4.3Å; P67-Y87 HydrophobicContact CG-CD2 3.98Å; P67-Y87 HydrophobicContact CG-CE1 4.18Å; P67-Y87 HydrophobicContact CG-CE2 3.62Å; P67-Y87 HydrophobicContact CG-CG 4.41Å; P67-L90 HydrophobicContact CG-CD1 4.14Å
68R77.5Confident75.5Confident210 Ų21085 Ų8579%0.79242%0.419SS*.SBendtrans-71.7-19-179.8-67.4-178-178.7162.61.8114.6L70R68-L70 PolarHBondContact O-N 2.82Å
69N64.4Low75Confident154 Ų15486.4 Ų86.482%0.82443%0.425SS*.  trans-79.337.4-169.7-70.7-11000114.3P67 N71P67-N69 VanDerWaalsContact C-N 3.32Å; P67-N69 PolarHBondContact O-N 3.27Å; N69-N71 PolarHBondContact O-N 2.78Å
70L55.5Low74.6Confident58 Ų5889.2 Ų89.230%0.30444%0.444SS..  trans-84.6108.8174.7-66.9164.2000108.4I66 R68 E72 M77 F79I66-L70 HydrophobicContact CD1-CD1 3.76Å; R68-L70 PolarHBondContact O-N 2.82Å; L70-E72 VanDerWaalsContact C-N 3.3Å; L70-E72 PolarHBondContact O-N 3.31Å; L70-M77 HydrophobicContact CD1-CE 3.25Å; L70-M77 HydrophobicContact CD2-CB 4.07Å; L70-M77 HydrophobicContact CD2-CE 3.81Å; L70-M77 HydrophobicContact CD2-CG 3.93Å; L70-M77 HydrophobicContact CG-CE 4.16Å; L70-F79 HydrophobicContact CD2-CE1 4Å; L70-F79 HydrophobicContact CD2-CZ 4.07Å
71N47.4Very low74.2Confident123 Ų12394.9 Ų94.966%0.65847%0.474SS*.  trans-64.496.1163.1-78.4-24.2000107.5N69 S73 Q74N69-N71 PolarHBondContact O-N 2.78Å; N71-S73 PolarHBondContact O-N 2.81Å; N71-Q74 PolarHBondContact O-N 2.78Å; N71-Q74 VanDerWaalsContact O-N 3.16Å
72E50.1Low73.9Confident184 Ų18499.2 Ų99.286%0.8649%0.491SS*.THydrogen-bonded Turntrans-55.2-10.6176.9-66-178.6162.500113.5L70L70-E72 VanDerWaalsContact C-N 3.3Å; L70-E72 PolarHBondContact O-N 3.31Å
73S50.8Low73.8Confident105 Ų10596.9 Ų96.973%0.73448%0.484SS*.THydrogen-bonded Turntrans-77.8-17.5178.956.90000114.9N71N71-S73 PolarHBondContact O-N 2.81Å
74Q46.2Very low73.6Confident148 Ų14898.3 Ų98.369%0.69249%0.49SS*.SBendtrans-112.4114.6174.2-67.3-170.8-23.700108.7N71 E76N71-Q74 PolarHBondContact O-N 2.78Å; N71-Q74 VanDerWaalsContact O-N 3.16Å; Q74-E76 PolarHBondContact O-N 2.81Å
75N50.3Low73.4Confident171 Ų171101.9 Ų101.991%0.91451%0.509SS*.SBendtrans-64.314.3-178.3-83.3-28.4000114.9
76E56.7Low73.4Confident155 Ų155105 Ų10572%0.72452%0.521SS*.SBendtrans-125.7110177.4-67.4-174.4166.800109Q74 E78Q74-E76 PolarHBondContact O-N 2.81Å; E76-E78 PolarHBondContact O-N 2.83Å
77M66.4Low73.5Confident84 Ų84105.9 Ų105.941%0.41452%0.524SS..  trans-75.3103.4173.8-59.5169.188.500108.5I66 L70 F79 L184I66-M77 HydrophobicContact CD1-CE 3.71Å; L70-M77 HydrophobicContact CD1-CE 3.25Å; L70-M77 HydrophobicContact CD2-CB 4.07Å; L70-M77 HydrophobicContact CD2-CE 3.81Å; L70-M77 HydrophobicContact CD2-CG 3.93Å; L70-M77 HydrophobicContact CG-CE 4.16Å; M77-F79 HydrophobicContact CB-CD2 4.43Å; M77-F79 HydrophobicContact CB-CE2 3.79Å; M77-F79 HydrophobicContact CB-CZ 4.15Å; M77-F79 HydrophobicContact CE-CE2 4Å; M77-F79 HydrophobicContact CE-CZ 3.5Å; M77-F79 VanDerWaalsContact CE-CZ 3.5Å; M77-F79 HydrophobicContact SD-CE2 4.45Å; M77-F79 HydrophobicContact SD-CZ 4.48Å; M77-L184 HydrophobicContact CE-CD2 3.92Å; M77-L184 HydrophobicContact SD-CD2 3.96Å
78E78.1Confident73.9Confident175 Ų175105.4 Ų105.482%0.81852%0.521SS*.  trans-92.6116.9169.9-71-169.2162.300110.2E76E76-E78 PolarHBondContact O-N 2.83Å
79F86.6Confident74.8Confident29 Ų2995.4 Ų95.413%0.12748%0.483CS..  trans-108.1143.7173.3-61.9-71.5000110.4P67 L70 M77 F84 L90 L184P67-F79 HydrophobicContact CG-CD1 4.38Å; P67-F79 HydrophobicContact CG-CE1 4.24Å; L70-F79 HydrophobicContact CD2-CE1 4Å; L70-F79 HydrophobicContact CD2-CZ 4.07Å; M77-F79 HydrophobicContact CB-CD2 4.43Å; M77-F79 HydrophobicContact CB-CE2 3.79Å; M77-F79 HydrophobicContact CB-CZ 4.15Å; M77-F79 HydrophobicContact CE-CE2 4Å; M77-F79 HydrophobicContact CE-CZ 3.5Å; M77-F79 VanDerWaalsContact CE-CZ 3.5Å; M77-F79 HydrophobicContact SD-CE2 4.45Å; M77-F79 HydrophobicContact SD-CZ 4.48Å; F79-F84 HydrophobicContact CB-CD2 4.3Å; F79-F84 HydrophobicContact CB-CE1 4.31Å; F79-F84 HydrophobicContact CB-CE2 3.71Å; F79-F84 HydrophobicContact CB-CZ 3.71Å; F79-F84 HydrophobicContact CD2-CE1 4.37Å; F79-F84 HydrophobicContact CD2-CZ 4.12Å; F79-F84 HydrophobicContact CG-CZ 4.36Å; F79-L90 HydrophobicContact CB-CD1 4.35Å; F79-L90 HydrophobicContact CD1-CD1 3.65Å; F79-L90 HydrophobicContact CD1-CD2 4.21Å; F79-L90 HydrophobicContact CD2-CD1 4.41Å; F79-L90 HydrophobicContact CD2-CD2 3.77Å; F79-L90 HydrophobicContact CE1-CD1 3.94Å; F79-L90 HydrophobicContact CE1-CD2 3.97Å; F79-L90 HydrophobicContact CE2-CD2 3.5Å; F79-L90 HydrophobicContact CG-CD1 3.89Å; F79-L90 HydrophobicContact CG-CD2 4.1Å; F79-L90 HydrophobicContact CZ-CD1 4.41Å; F79-L90 HydrophobicContact CZ-CD2 3.59Å; F79-L184 HydrophobicContact CE2-CD2 3.8Å; F79-L184 HydrophobicContact CZ-CD2 4.24Å
80T87Confident76.3Confident78 Ų7888.1 Ų88.148%0.47944%0.444SS..  trans-73.2154.917464.20000111.3E82 E83 F84T80-E82 PolarHBondContact O-N 3.02Å; T80-E83 WeakPolarHBondContact CB-OE2 3.38Å; T80-E83 PolarHBondContact N-OE2 3.49Å; T80-E83 PolarHBondContact O-N 2.88Å; T80-E83 VanDerWaalsContact OG1-CD 3.31Å; T80-E83 VanDerWaalsContact OG1-CG 3.23Å; T80-E83 WeakPolarHBondContact OG1-CG 3.5Å; T80-E83 PolarHBondContact OG1-N 2.89Å; T80-E83 PolarHBondContact OG1-OE2 3.41Å; T80-F84 VanDerWaalsContact O-CD2 3.26Å; T80-F84 WeakPolarHBondContact O-CD2 3.25Å; T80-F84 PolarHBondContact O-N 2.81Å
81N85.6Confident78.3Confident130 Ų13086.4 Ų86.470%0.69543%0.434SS*.Hα-helixtrans-56.2-34.2173.8-75.8-28.5000112.6
82E88.6Confident80.6Confident129 Ų12980.6 Ų80.660%0.60340%0.403SS*.Hα-helixtrans-67.8-36.8176.7-67.7-170.1-167.500113T80 F84 D85 K86T80-E82 PolarHBondContact O-N 3.02Å; E82-F84 VanDerWaalsContact C-N 3.35Å; E82-D85 PolarHBondContact O-N 2.86Å; E82-K86 WeakPolarHBondContact O-CB 2.95Å; E82-K86 VanDerWaalsContact O-CG 3.27Å; E82-K86 WeakPolarHBondContact O-CG 3.37Å; E82-K86 PolarHBondContact O-N 2.92Å; E82-K86 IonicContact OE2-NZ 2.76Å; E82-K86 PolarHBondContact OE2-NZ 3.11Å
83E92Very high82.8Confident47 Ų4774.8 Ų74.822%0.2237%0.373CS..Hα-helixtrans-67.5-38.2178.7-75.4165.7135.800111.5P67 T80 D85 K86 Y87 L90P67-E83 HydrophobicContact CG-CG 4.3Å; T80-E83 WeakPolarHBondContact CB-OE2 3.38Å; T80-E83 PolarHBondContact N-OE2 3.49Å; T80-E83 PolarHBondContact O-N 2.88Å; T80-E83 VanDerWaalsContact OG1-CD 3.31Å; T80-E83 VanDerWaalsContact OG1-CG 3.23Å; T80-E83 WeakPolarHBondContact OG1-CG 3.5Å; T80-E83 PolarHBondContact OG1-N 2.89Å; T80-E83 PolarHBondContact OG1-OE2 3.41Å; E83-D85 PolarHBondContact O-N 2.79Å; E83-K86 PolarHBondContact O-N 3.2Å; E83-K86 VanDerWaalsContact O-N 3.08Å; E83-Y87 HydrophobicContact CB-CD2 4.49Å; E83-Y87 PolarHBondContact O-N 2.88Å; E83-L90 HydrophobicContact CB-CD1 3.95Å
84F92.1Very high84.9Confident29 Ų2973.1 Ų73.113%0.12735%0.353CS..Hα-helixtrans-57.9-30.5173.8-76.8-62.8000113.5F79 T80 E82 L90 Y91 Y93 K94F79-F84 HydrophobicContact CB-CD2 4.3Å; F79-F84 HydrophobicContact CB-CE1 4.31Å; F79-F84 HydrophobicContact CB-CE2 3.71Å; F79-F84 HydrophobicContact CB-CZ 3.71Å; F79-F84 HydrophobicContact CD2-CE1 4.37Å; F79-F84 HydrophobicContact CD2-CZ 4.12Å; F79-F84 HydrophobicContact CG-CZ 4.36Å; T80-F84 VanDerWaalsContact O-CD2 3.26Å; T80-F84 WeakPolarHBondContact O-CD2 3.25Å; T80-F84 PolarHBondContact O-N 2.81Å; E82-F84 VanDerWaalsContact C-N 3.35Å; F84-L90 HydrophobicContact CD1-CB 3.71Å; F84-L90 WeakPolarHBondContact CD1-O 3.43Å; F84-L90 HydrophobicContact CE1-CB 4.16Å; F84-Y91 VanDerWaalsContact O-CA 3.32Å; F84-Y91 WeakPolarHBondContact O-CA 3.25Å; F84-Y91 VanDerWaalsContact O-CB 3.31Å; F84-Y91 WeakPolarHBondContact O-CB 3.29Å; F84-Y91 PolarHBondContact O-N 3.43Å; F84-Y93 AromaticContact CE1-CD1 3.74Å; F84-Y93 HydrophobicContact CE1-CD1 3.74Å; F84-Y93 HydrophobicContact CE1-CE1 4.15Å; F84-Y93 HydrophobicContact CZ-CD1 4.39Å; F84-Y93 HydrophobicContact CZ-CE1 4.36Å; F84-K94 HydrophobicContact CB-CB 4.49Å; F84-K94 HydrophobicContact CB-CD 3.62Å; F84-K94 HydrophobicContact CD1-CB 3.73Å; F84-K94 HydrophobicContact CD1-CD 4.3Å; F84-K94 HydrophobicContact CE1-CB 4.29Å; F84-K94 HydrophobicContact CG-CB 4.25Å; F84-K94 HydrophobicContact CG-CD 3.96Å
85D91.3Very high87.2Confident76 Ų7669.6 Ų69.641%0.40634%0.336SS..THydrogen-bonded Turntrans-97.50.2-179.4-61.9-24.3000112.8E82 E83 K94 I320E82-D85 PolarHBondContact O-N 2.86Å; E83-D85 PolarHBondContact O-N 2.79Å; D85-K94 IonicContact OD1-NZ 3.05Å; D85-K94 PolarHBondContact OD1-NZ 3.35Å; D85-K94 IonicContact OD2-NZ 2.71Å; D85-I320 WeakPolarHBondContact O-CD1 3.27Å
86K93.1Very high89.3Confident97 Ų9761.5 Ų61.542%0.42229%0.293SS..THydrogen-bonded Turntrans-106.8-32176.9-76.4170.8-176.1162.80113.4Y62 E82 E83 V319Y62-K86 HydrophobicContact CD1-CB 4.44Å; E82-K86 WeakPolarHBondContact O-CB 2.95Å; E82-K86 VanDerWaalsContact O-CG 3.27Å; E82-K86 WeakPolarHBondContact O-CG 3.37Å; E82-K86 PolarHBondContact O-N 2.92Å; E82-K86 IonicContact OE2-NZ 2.76Å; E82-K86 PolarHBondContact OE2-NZ 3.11Å; E83-K86 PolarHBondContact O-N 3.2Å; E83-K86 VanDerWaalsContact O-N 3.08Å; K86-V319 WeakPolarHBondContact O-CG2 3.46Å
87Y95.6Very high91Very high32 Ų3258 Ų5813%0.12528%0.279CS..  trans-109.2125.7-176.5-69.7-100.5000111P61 Y62 P67 E83 L89 L90 Y91P61-Y87 HydrophobicContact CB-CE1 4.13Å; P61-Y87 WeakPolarHBondContact O-CD1 3.29Å; Y62-Y87 HydrophobicContact CD1-CD1 4.03Å; Y62-Y87 HydrophobicContact CD1-CD2 4.08Å; Y62-Y87 AromaticContact CD1-CE1 3.72Å; Y62-Y87 HydrophobicContact CD1-CE1 3.72Å; Y62-Y87 AromaticContact CD1-CE2 3.77Å; Y62-Y87 HydrophobicContact CD1-CE2 3.77Å; Y62-Y87 HydrophobicContact CD1-CG 4.2Å; Y62-Y87 AromaticContact CD1-CZ 3.59Å; Y62-Y87 HydrophobicContact CE1-CD2 4.44Å; Y62-Y87 HydrophobicContact CE1-CE1 4.08Å; Y62-Y87 AromaticContact CE1-CE2 3.72Å; Y62-Y87 HydrophobicContact CE1-CE2 3.72Å; Y62-Y87 AromaticContact CE1-CZ 3.52Å; P67-Y87 HydrophobicContact CG-CD2 3.98Å; P67-Y87 HydrophobicContact CG-CE1 4.18Å; P67-Y87 HydrophobicContact CG-CE2 3.62Å; P67-Y87 HydrophobicContact CG-CG 4.41Å; E83-Y87 HydrophobicContact CB-CD2 4.49Å; E83-Y87 PolarHBondContact O-N 2.88Å; Y87-L89 VanDerWaalsContact C-N 3.34Å; Y87-L89 PolarHBondContact O-N 3Å; Y87-L90 HydrophobicContact CD2-CD1 4.38Å; Y87-L90 HydrophobicContact CG-CD1 4.39Å; Y87-L90 PolarHBondContact O-N 2.96Å; Y87-Y91 WeakPolarHBondContact O-CB 3.44Å; Y87-Y91 PolarHBondContact O-N 3.32Å
88V96.9Very high92.2Very high0 Ų057.2 Ų57.20%029%0.293CS..Hα-helixtrans-55.3-46.8-179.7164.40000111.8Y62 L63 L90 Y91 L92 W173 F227 V319 I320 I367Y62-V88 WeakPolarHBondContact O-CG2 3.32Å; Y62-V88 PolarHBondContact O-N 3.39Å; L63-V88 HydrophobicContact CD2-CG2 3.93Å; V88-L90 VanDerWaalsContact C-N 3.35Å; V88-L90 PolarHBondContact O-N 3.43Å; V88-Y91 WeakPolarHBondContact O-CB 3.47Å; V88-Y91 PolarHBondContact O-N 2.96Å; V88-L92 HydrophobicContact CG1-CD1 4.27Å; V88-L92 HydrophobicContact CG1-CG 4.37Å; V88-L92 VanDerWaalsContact O-CG 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.38Å; V88-L92 PolarHBondContact O-N 3.08Å; V88-W173 HydrophobicContact CG1-CZ2 3.98Å; V88-F227 HydrophobicContact CG1-CE1 4.43Å; V88-F227 HydrophobicContact CG1-CZ 4.21Å; V88-F227 HydrophobicContact CG2-CE1 4.43Å; V88-V319 HydrophobicContact CG2-CB 4.38Å; V88-V319 HydrophobicContact CG2-CG2 4.05Å; V88-I320 HydrophobicContact CG2-CG1 4.41Å; V88-I367 HydrophobicContact CB-CD1 4Å; V88-I367 HydrophobicContact CG1-CD1 3.51Å; V88-I367 HydrophobicContact CG1-CG1 4.16Å; V88-I367 HydrophobicContact CG2-CD1 3.65Å; V88-I367 HydrophobicContact CG2-CG1 3.77Å
89L96.8Very high92.8Very high0 Ų050.2 Ų50.20%026%0.263CS..Hα-helixtrans-65.7-37.9-177.4-58.8-171.1000112.5I66 Y87 L92 Y93 W173 A177 K180I66-L89 HydrophobicContact CG2-CB 4.19Å; I66-L89 HydrophobicContact CG2-CD1 4.42Å; Y87-L89 VanDerWaalsContact C-N 3.34Å; Y87-L89 PolarHBondContact O-N 3Å; L89-L92 HydrophobicContact CD2-CD1 4.46Å; L89-L92 PolarHBondContact O-N 3.18Å; L89-Y93 WeakPolarHBondContact O-CB 3.4Å; L89-Y93 PolarHBondContact O-N 3.35Å; L89-W173 HydrophobicContact CD2-CH2 4.2Å; L89-W173 HydrophobicContact CD2-CZ2 3.95Å; L89-A177 HydrophobicContact CD2-CB 3.78Å; L89-K180 HydrophobicContact CD1-CB 3.91Å
90L95.9Very high93Very high0 Ų057.5 Ų57.50%029%0.29CS..Hα-helixtrans-68.2-40.8174.3-63-173.9000111.2I66 P67 F79 E83 F84 Y87 V88 L92 Y93 K94 L184I66-L90 HydrophobicContact CG2-CD2 4.04Å; I66-L90 HydrophobicContact CG2-CG 4.35Å; P67-L90 HydrophobicContact CG-CD1 4.14Å; F79-L90 HydrophobicContact CB-CD1 4.35Å; F79-L90 HydrophobicContact CD1-CD1 3.65Å; F79-L90 HydrophobicContact CD1-CD2 4.21Å; F79-L90 HydrophobicContact CD2-CD1 4.41Å; F79-L90 HydrophobicContact CD2-CD2 3.77Å; F79-L90 HydrophobicContact CE1-CD1 3.94Å; F79-L90 HydrophobicContact CE1-CD2 3.97Å; F79-L90 HydrophobicContact CE2-CD2 3.5Å; F79-L90 HydrophobicContact CG-CD1 3.89Å; F79-L90 HydrophobicContact CG-CD2 4.1Å; F79-L90 HydrophobicContact CZ-CD1 4.41Å; F79-L90 HydrophobicContact CZ-CD2 3.59Å; E83-L90 HydrophobicContact CB-CD1 3.95Å; F84-L90 HydrophobicContact CD1-CB 3.71Å; F84-L90 WeakPolarHBondContact CD1-O 3.43Å; F84-L90 HydrophobicContact CE1-CB 4.16Å; Y87-L90 HydrophobicContact CD2-CD1 4.38Å; Y87-L90 HydrophobicContact CG-CD1 4.39Å; Y87-L90 PolarHBondContact O-N 2.96Å; V88-L90 VanDerWaalsContact C-N 3.35Å; V88-L90 PolarHBondContact O-N 3.43Å; L90-L92 PolarHBondContact O-N 3.47Å; L90-Y93 WeakPolarHBondContact O-CB 3.38Å; L90-Y93 PolarHBondContact O-N 2.68Å; L90-K94 WeakPolarHBondContact O-CB 3.39Å; L90-K94 PolarHBondContact O-N 3.38Å; L90-L184 HydrophobicContact CD2-CD1 3.99Å; L90-L184 HydrophobicContact CD2-CD2 4.25Å
91Y96.5Very high93.4Very high23 Ų2354.8 Ų54.89%0.0927%0.271CS..Hα-helixtrans-58.5-46.9174.4-175.9-104.9000111.7F84 Y87 V88 Y93 K94 E95 I320 I322 I367 L370F84-Y91 VanDerWaalsContact O-CA 3.32Å; F84-Y91 WeakPolarHBondContact O-CA 3.25Å; F84-Y91 VanDerWaalsContact O-CB 3.31Å; F84-Y91 WeakPolarHBondContact O-CB 3.29Å; F84-Y91 PolarHBondContact O-N 3.43Å; Y87-Y91 WeakPolarHBondContact O-CB 3.44Å; Y87-Y91 PolarHBondContact O-N 3.32Å; V88-Y91 WeakPolarHBondContact O-CB 3.47Å; V88-Y91 PolarHBondContact O-N 2.96Å; Y91-Y93 VanDerWaalsContact C-N 3.34Å; Y91-Y93 PolarHBondContact O-N 2.89Å; Y91-K94 PolarHBondContact O-N 2.9Å; Y91-E95 HydrophobicContact CD1-CG 4.27Å; Y91-E95 HydrophobicContact CD2-CG 4.35Å; Y91-E95 HydrophobicContact CE1-CG 3.8Å; Y91-E95 HydrophobicContact CE2-CG 3.85Å; Y91-E95 WeakPolarHBondContact CE2-OE1 3.46Å; Y91-E95 WeakPolarHBondContact O-CB 3.34Å; Y91-E95 VanDerWaalsContact O-CG 3.3Å; Y91-E95 WeakPolarHBondContact O-CG 3.45Å; Y91-E95 PolarHBondContact O-N 3.24Å; Y91-E95 PolarHBondContact OH-OE1 3.39Å; Y91-I320 HydrophobicContact CD1-CD1 4.44Å; Y91-I320 HydrophobicContact CD1-CG1 4.34Å; Y91-I320 HydrophobicContact CD1-CG2 4.16Å; Y91-I320 HydrophobicContact CD2-CD1 4.09Å; Y91-I320 HydrophobicContact CD2-CG2 4.13Å; Y91-I320 HydrophobicContact CE1-CG2 4.08Å; Y91-I320 HydrophobicContact CE2-CG2 4.09Å; Y91-I320 HydrophobicContact CG-CD1 3.76Å; Y91-I320 HydrophobicContact CG-CG1 4.14Å; Y91-I320 HydrophobicContact CG-CG2 4.19Å; Y91-I322 HydrophobicContact CE1-CD1 4.03Å; Y91-I322 HydrophobicContact CE1-CG1 3.98Å; Y91-I367 HydrophobicContact CD1-CD1 4.23Å; Y91-L370 HydrophobicContact CD1-CD2 4.22Å; Y91-L370 HydrophobicContact CE1-CD2 3.74Å
92L96.8Very high93.8Very high1 Ų151.3 Ų51.31%0.00525%0.251CS..Hα-helixtrans-59-44.6175.2-64.6-179.1000111.9V88 L89 L90 L96 W173 L181 I223 V225 L370V88-L92 HydrophobicContact CG1-CD1 4.27Å; V88-L92 HydrophobicContact CG1-CG 4.37Å; V88-L92 VanDerWaalsContact O-CG 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.38Å; V88-L92 PolarHBondContact O-N 3.08Å; L89-L92 HydrophobicContact CD2-CD1 4.46Å; L89-L92 PolarHBondContact O-N 3.18Å; L90-L92 PolarHBondContact O-N 3.47Å; L92-L96 VanDerWaalsContact O-CB 3.3Å; L92-L96 WeakPolarHBondContact O-CB 3.23Å; L92-L96 PolarHBondContact O-N 2.67Å; L92-W173 HydrophobicContact CD1-CH2 4.12Å; L92-L181 HydrophobicContact CB-CD1 4.38Å; L92-L181 HydrophobicContact CD1-CD2 4.22Å; L92-I223 HydrophobicContact CD2-CG2 4.12Å; L92-V225 HydrophobicContact CD1-CG2 4.04Å; L92-V225 HydrophobicContact CD2-CG2 3.69Å; L92-L370 HydrophobicContact CD2-CD1 3.37Å; L92-L370 HydrophobicContact CD2-CD2 3.92Å; L92-L370 HydrophobicContact CD2-CG 4.26Å
93Y95.3Very high94Very high62 Ų6247.2 Ų47.224%0.24323%0.23CC..Hα-helixtrans-61.4-46.2176.5170.9-95.3000112.2F84 L89 L90 Y91 L96 N97 L184 L185F84-Y93 AromaticContact CE1-CD1 3.74Å; F84-Y93 HydrophobicContact CE1-CD1 3.74Å; F84-Y93 HydrophobicContact CE1-CE1 4.15Å; F84-Y93 HydrophobicContact CZ-CD1 4.39Å; F84-Y93 HydrophobicContact CZ-CE1 4.36Å; L89-Y93 WeakPolarHBondContact O-CB 3.4Å; L89-Y93 PolarHBondContact O-N 3.35Å; L90-Y93 WeakPolarHBondContact O-CB 3.38Å; L90-Y93 PolarHBondContact O-N 2.68Å; Y91-Y93 VanDerWaalsContact C-N 3.34Å; Y91-Y93 PolarHBondContact O-N 2.89Å; Y93-L96 PolarHBondContact O-N 3.49Å; Y93-N97 VanDerWaalsContact CE1-ND2 3.34Å; Y93-N97 WeakPolarHBondContact CE1-ND2 3.44Å; Y93-N97 WeakPolarHBondContact CE2-ND2 3.29Å; Y93-N97 WeakPolarHBondContact O-CB 3.35Å; Y93-N97 PolarHBondContact O-N 2.86Å; Y93-N97 PolarHBondContact OH-ND2 2.91Å; Y93-N97 VanDerWaalsContact OH-ND2 3.1Å; Y93-L184 HydrophobicContact CD2-CB 3.8Å; Y93-L184 HydrophobicContact CE2-CB 4.28Å; Y93-L184 WeakPolarHBondContact CE2-O 3.47Å; Y93-L184 HydrophobicContact CG-CB 4.37Å; Y93-L185 HydrophobicContact CD2-CD2 3.74Å; Y93-L185 HydrophobicContact CD2-CG 4.47Å
94K94.9Very high93.9Very high70 Ų7045.9 Ų45.930%0.30423%0.225SC..Hα-helixtrans-59.5-49.1177170177.6167.2-1750111.8F84 D85 L90 Y91 L96 N97 G98F84-K94 HydrophobicContact CB-CB 4.49Å; F84-K94 HydrophobicContact CB-CD 3.62Å; F84-K94 HydrophobicContact CD1-CB 3.73Å; F84-K94 HydrophobicContact CD1-CD 4.3Å; F84-K94 HydrophobicContact CE1-CB 4.29Å; F84-K94 HydrophobicContact CG-CB 4.25Å; F84-K94 HydrophobicContact CG-CD 3.96Å; D85-K94 IonicContact OD1-NZ 3.05Å; D85-K94 PolarHBondContact OD1-NZ 3.35Å; D85-K94 IonicContact OD2-NZ 2.71Å; L90-K94 WeakPolarHBondContact O-CB 3.39Å; L90-K94 PolarHBondContact O-N 3.38Å; Y91-K94 PolarHBondContact O-N 2.9Å; K94-L96 VanDerWaalsContact C-N 3.34Å; K94-L96 PolarHBondContact O-N 2.73Å; K94-N97 PolarHBondContact O-N 2.88Å; K94-G98 PolarHBondContact O-N 2.89Å
95E95.4Very high94Very high74 Ų7444.5 Ų44.535%0.34622%0.219SC..Hα-helixtrans-66.3-37.7-178.6-69.2-69.215300111.8Y91 S99 L370 I372Y91-E95 HydrophobicContact CD1-CG 4.27Å; Y91-E95 HydrophobicContact CD2-CG 4.35Å; Y91-E95 HydrophobicContact CE1-CG 3.8Å; Y91-E95 HydrophobicContact CE2-CG 3.85Å; Y91-E95 WeakPolarHBondContact CE2-OE1 3.46Å; Y91-E95 WeakPolarHBondContact O-CB 3.34Å; Y91-E95 VanDerWaalsContact O-CG 3.3Å; Y91-E95 WeakPolarHBondContact O-CG 3.45Å; Y91-E95 PolarHBondContact O-N 3.24Å; Y91-E95 PolarHBondContact OH-OE1 3.39Å; E95-S99 PolarHBondContact O-N 2.98Å; E95-S99 VanDerWaalsContact O-N 3.09Å; E95-L370 HydrophobicContact CB-CD2 3.55Å; E95-L370 HydrophobicContact CG-CD2 3.63Å; E95-I372 HydrophobicContact CB-CD1 4.2Å
96L94.6Very high94.1Very high1 Ų140.9 Ų40.91%0.00520%0.2CC..Hα-helixtrans-72-40.8177-179.953.9000112.9L92 Y93 K94 G98 S99 Y103 L185 I221 I223 I372L92-L96 VanDerWaalsContact O-CB 3.3Å; L92-L96 WeakPolarHBondContact O-CB 3.23Å; L92-L96 PolarHBondContact O-N 2.67Å; Y93-L96 PolarHBondContact O-N 3.49Å; K94-L96 VanDerWaalsContact C-N 3.34Å; K94-L96 PolarHBondContact O-N 2.73Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-S99 WeakPolarHBondContact O-CA 3.43Å; L96-S99 WeakPolarHBondContact O-CB 3.38Å; L96-S99 PolarHBondContact O-N 3.2Å; L96-S99 VanDerWaalsContact O-N 3.07Å; L96-S99 PolarHBondContact O-OG 3.15Å; L96-Y103 HydrophobicContact CD1-CD1 4.39Å; L96-Y103 HydrophobicContact CD1-CE1 3.84Å; L96-Y103 HydrophobicContact CD2-CE1 4.06Å; L96-Y103 HydrophobicContact CD2-CE2 4.23Å; L96-Y103 HydrophobicContact CG-CE1 3.89Å; L96-L185 HydrophobicContact CB-CD2 4.46Å; L96-L185 HydrophobicContact CD2-CD1 3.85Å; L96-L185 HydrophobicContact CD2-CD2 3.54Å; L96-L185 HydrophobicContact CD2-CG 4.36Å; L96-L185 HydrophobicContact CG-CD2 4.25Å; L96-I221 HydrophobicContact CD1-CD1 3.31Å; L96-I221 HydrophobicContact CD2-CD1 3.33Å; L96-I221 HydrophobicContact CG-CD1 3.93Å; L96-I223 HydrophobicContact CD2-CD1 3.74Å; L96-I223 HydrophobicContact CD2-CG1 4.36Å; L96-I372 HydrophobicContact CB-CD1 3.97Å; L96-I372 HydrophobicContact CD1-CD1 4.19Å; L96-I372 HydrophobicContact CD1-CG2 3.73Å
97N91.4Very high94.2Very high80 Ų8037 Ų3743%0.42818%0.183SC..Hα-helixtrans-70.8-28.9174.3-78.2-5.7000113.2Y93 K94 S99Y93-N97 VanDerWaalsContact CE1-ND2 3.34Å; Y93-N97 WeakPolarHBondContact CE1-ND2 3.44Å; Y93-N97 WeakPolarHBondContact CE2-ND2 3.29Å; Y93-N97 WeakPolarHBondContact O-CB 3.35Å; Y93-N97 PolarHBondContact O-N 2.86Å; Y93-N97 PolarHBondContact OH-ND2 2.91Å; Y93-N97 VanDerWaalsContact OH-ND2 3.1Å; K94-N97 PolarHBondContact O-N 2.88Å; N97-S99 PolarHBondContact O-N 3.11Å
98G91.3Very high94.2Very high68 Ų6835.8 Ų35.870%0.70118%0.179SC*.Hα-helixtrans-69.5-19.7168.800000112.7K94 L96K94-G98 PolarHBondContact O-N 2.89Å; L96-G98 VanDerWaalsContact C-N 3.32Å
99S91.2Very high94.1Very high29 Ų2941.5 Ų41.520%0.20320%0.2CC..SBendtrans-72.8156.8170.894.40000110.9E95 L96 N97 Y101E95-S99 PolarHBondContact O-N 2.98Å; E95-S99 VanDerWaalsContact O-N 3.09Å; L96-S99 WeakPolarHBondContact O-CA 3.43Å; L96-S99 WeakPolarHBondContact O-CB 3.38Å; L96-S99 PolarHBondContact O-N 3.2Å; L96-S99 VanDerWaalsContact O-N 3.07Å; L96-S99 PolarHBondContact O-OG 3.15Å; N97-S99 PolarHBondContact O-N 3.11Å; S99-Y101 VanDerWaalsContact C-N 3.31Å; S99-Y101 WeakPolarHBondContact OG-CD2 3.45Å; S99-Y101 PolarHBondContact OG-N 3.15Å
100R91.2Very high94.2Very high181 Ų18142.1 Ų42.168%0.68320%0.204SC*.  trans-92.17.3175.5-64.6-179.4-178.5-174.8-0.1112.9Q102 E455R100-Q102 PolarHBondContact O-N 3.04Å; R100-E455 HydrophobicContact CB-CB 4.34Å; R100-E455 HydrophobicContact CB-CG 3.75Å; R100-E455 WeakPolarHBondContact CB-OE2 3.29Å; R100-E455 WeakPolarHBondContact CD-OE2 3.33Å; R100-E455 WeakPolarHBondContact O-CB 3.24Å
101Y95.2Very high94.2Very high22 Ų2244.1 Ų44.19%0.08622%0.216CC..  trans-71.9130-177.8-67.3-65.1000110.8S99 Y103 I221 I372 N453 Y454S99-Y101 VanDerWaalsContact C-N 3.31Å; S99-Y101 WeakPolarHBondContact OG-CD2 3.45Å; S99-Y101 PolarHBondContact OG-N 3.15Å; Y101-Y103 WeakPolarHBondContact O-CD1 3.13Å; Y101-I221 HydrophobicContact CG-CG2 4.35Å; Y101-I372 HydrophobicContact CD2-CG2 3.74Å; Y101-I372 HydrophobicContact CE2-CB 4.44Å; Y101-I372 HydrophobicContact CE2-CG2 3.88Å; Y101-I372 WeakPolarHBondContact CE2-O 3.38Å; Y101-I372 PolarHBondContact OH-O 2.91Å; Y101-N453 WeakPolarHBondContact OH-CB 3.39Å; Y101-Y454 WeakPolarHBondContact CD1-O 3.23Å
102Q93.9Very high94.1Very high57 Ų5744 Ų4427%0.26622%0.216SC..  trans-95.6133.6164.7-63.7174.7-14.500109.7R100 R374 E455 L457 Q460R100-Q102 PolarHBondContact O-N 3.04Å; Q102-R374 VanDerWaalsContact O-CZ 3.24Å; Q102-R374 PolarHBondContact O-NH1 3.2Å; Q102-R374 PolarHBondContact O-NH2 2.9Å; Q102-E455 PolarHBondContact N-O 2.68Å; Q102-L457 HydrophobicContact CB-CD1 4.34Å; Q102-L457 HydrophobicContact CB-CG 3.81Å; Q102-L457 WeakPolarHBondContact O-CD2 3.43Å; Q102-Q460 VanDerWaalsContact OE1-NE2 3.12Å
103Y93.2Very high94Very high42 Ų4244 Ų4417%0.16522%0.216CC..  trans-150.5154.8-174.457.2-84.8000110.2L96 Y101 L185 A187 N219 I221L96-Y103 HydrophobicContact CD1-CD1 4.39Å; L96-Y103 HydrophobicContact CD1-CE1 3.84Å; L96-Y103 HydrophobicContact CD2-CE1 4.06Å; L96-Y103 HydrophobicContact CD2-CE2 4.23Å; L96-Y103 HydrophobicContact CG-CE1 3.89Å; Y101-Y103 WeakPolarHBondContact O-CD1 3.13Å; Y103-L185 WeakPolarHBondContact OH-CD2 3.44Å; Y103-A187 HydrophobicContact CD2-CB 4.12Å; Y103-A187 HydrophobicContact CE2-CB 3.83Å; Y103-N219 WeakPolarHBondContact CA-O 3.21Å; Y103-I221 HydrophobicContact CD1-CD1 3.56Å; Y103-I221 HydrophobicContact CD1-CG1 4.15Å; Y103-I221 HydrophobicContact CD1-CG2 4.25Å; Y103-I221 HydrophobicContact CD2-CD1 3.66Å; Y103-I221 HydrophobicContact CD2-CG1 3.9Å; Y103-I221 HydrophobicContact CE1-CD1 3.82Å; Y103-I221 HydrophobicContact CE2-CD1 3.9Å; Y103-I221 HydrophobicContact CG-CD1 3.49Å; Y103-I221 VanDerWaalsContact CG-CD1 3.49Å; Y103-I221 HydrophobicContact CG-CG1 3.67Å; Y103-I221 HydrophobicContact CG-CG2 4.17Å
104T90.4Very high93.7Very high20 Ų2041.7 Ų41.712%0.12321%0.208CC..SBendtrans-108.4-17175.659.90000112.4P188 I202 E206 N219 L457T104-P188 WeakPolarHBondContact O-CD 3.37Å; T104-I202 WeakPolarHBondContact OG1-CG2 3.38Å; T104-E206 HydrophobicContact CG2-CG 4.12Å; T104-E206 WeakPolarHBondContact CG2-OE2 3.34Å; T104-N219 HydrophobicContact CG2-CB 4.39Å; T104-N219 PolarHBondContact N-O 3.21Å; T104-N219 WeakPolarHBondContact OG1-CB 3.47Å; T104-L457 HydrophobicContact CG2-CD1 4.26Å; T104-L457 HydrophobicContact CG2-CD2 4.29Å
105A92.3Very high93.5Very high0 Ų038.4 Ų38.40%019%0.194CC..EExtended strand (participates in β ladder)trans-155.4166.217800000109.6P188 I190 I202 I220 I221A105-P188 WeakPolarHBondContact CA-O 3.27Å; A105-P188 HydrophobicContact CB-CG 4.09Å; A105-P188 WeakPolarHBondContact CB-O 3.23Å; A105-I190 HydrophobicContact CB-CD1 4.44Å; A105-I190 HydrophobicContact CB-CG1 3.85Å; A105-I202 HydrophobicContact CB-CD1 3.78Å; A105-I202 HydrophobicContact CB-CG1 3.96Å; A105-I220 HydrophobicContact CB-CG1 4.33Å; A105-I220 HydrophobicContact CB-CG2 4.49Å; A105-I220 WeakPolarHBondContact O-CA 3.39Å; A105-I221 PolarHBondContact O-N 3.41Å
106Y94.2Very high93.5Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-133.2155.3178.573.7-77.5000112.4L108 L181 S182 L185 A187 P188 L189 I190 I221 I223Y106-L108 HydrophobicContact CE2-CB 4.29Å; Y106-L181 HydrophobicContact CE2-CD2 3.73Å; Y106-L181 HydrophobicContact CE2-CG 4.22Å; Y106-S182 WeakPolarHBondContact CE1-OG 3.43Å; Y106-S182 PolarHBondContact OH-N 3Å; Y106-S182 PolarHBondContact OH-OG 3.5Å; Y106-L185 HydrophobicContact CD1-CD1 3.92Å; Y106-L185 HydrophobicContact CD2-CD1 4.36Å; Y106-L185 HydrophobicContact CE1-CD1 3.95Å; Y106-L185 HydrophobicContact CE2-CD1 4.36Å; Y106-L185 HydrophobicContact CG-CD1 4.14Å; Y106-A187 HydrophobicContact CD1-CB 4.37Å; Y106-A187 VanDerWaalsContact CE1-O 3.29Å; Y106-A187 WeakPolarHBondContact CE1-O 3.26Å; Y106-P188 WeakPolarHBondContact CD1-O 3.03Å; Y106-P188 PolarHBondContact N-O 3.4Å; Y106-P188 VanDerWaalsContact N-O 3.1Å; Y106-L189 HydrophobicContact CD2-CD1 3.97Å; Y106-L189 HydrophobicContact CE1-CB 4.02Å; Y106-L189 HydrophobicContact CE2-CB 4.25Å; Y106-L189 HydrophobicContact CE2-CD1 3.64Å; Y106-L189 HydrophobicContact CE2-CG 4.44Å; Y106-L189 CarbonylContact O-C 3.58Å; Y106-L189 WeakPolarHBondContact O-CA 3.36Å; Y106-I190 PolarHBondContact O-N 3.18Å; Y106-I221 CarbonylContact C-O 3.57Å; Y106-I221 VanDerWaalsContact CA-O 3.26Å; Y106-I221 WeakPolarHBondContact CA-O 3.28Å; Y106-I223 HydrophobicContact CD2-CD1 3.84Å; Y106-I223 HydrophobicContact CD2-CG1 4.48Å; Y106-I223 HydrophobicContact CE2-CD1 4.46Å; Y106-I223 HydrophobicContact CG-CD1 4.43Å
107Q94.6Very high93.3Very high16 Ų1637.1 Ų37.18%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-107.7146.6164.9-57.6-154.3-69.400109.5I190 L193 I220 I221 C222 I223Q107-I190 HydrophobicContact CG-CB 4.47Å; Q107-L193 HydrophobicContact CG-CD2 4.31Å; Q107-I220 HydrophobicContact CG-CG2 3.75Å; Q107-I221 PolarHBondContact N-O 2.87Å; Q107-C222 HydrophobicContact CB-CB 4.31Å; Q107-I223 PolarHBondContact O-N 3.24Å
108L95.8Very high93.2Very high5 Ų533.3 Ų33.33%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-116.4110.4175.6-166.152.3000109.3Y106 V110 W173 K174 A177 L181 L189 I223 V225Y106-L108 HydrophobicContact CE2-CB 4.29Å; L108-V110 HydrophobicContact CD1-CG2 4.35Å; L108-V110 HydrophobicContact CG-CG2 3.81Å; L108-W173 HydrophobicContact CD1-CZ3 4.18Å; L108-W173 HydrophobicContact CD2-CE3 4.25Å; L108-W173 HydrophobicContact CD2-CH2 4.2Å; L108-W173 HydrophobicContact CD2-CZ3 3.46Å; L108-W173 VanDerWaalsContact CD2-CZ3 3.46Å; L108-W173 HydrophobicContact CG-CZ3 3.92Å; L108-K174 HydrophobicContact CD2-CG 4.22Å; L108-K174 HydrophobicContact CG-CG 4.33Å; L108-K174 WeakPolarHBondContact O-CE 3.18Å; L108-K174 PolarHBondContact O-NZ 2.83Å; L108-A177 HydrophobicContact CD2-CB 4.43Å; L108-L181 HydrophobicContact CD2-CD2 4.22Å; L108-L189 HydrophobicContact CB-CD1 3.66Å; L108-I223 WeakPolarHBondContact CA-O 3.14Å; L108-I223 HydrophobicContact CD1-CB 4.03Å; L108-I223 HydrophobicContact CD1-CG2 4.13Å; L108-V225 HydrophobicContact CD1-CG2 4.05Å
109R96.3Very high93.3Very high121 Ų12130.3 Ų30.346%0.45714%0.136SC..EExtended strand (participates in β ladder)trans-100.9118.7173.7-70.7-175.4-171.6167.36.1108.5C222 I223 T224 V225R109-C222 WeakPolarHBondContact CD-SG 3.45Å; R109-C222 VanDerWaalsContact CG-SG 3.56Å; R109-C222 PolarHBondContact NE-SG 3.19Å; R109-C222 VanDerWaalsContact NE-SG 3.36Å; R109-I223 PolarHBondContact N-O 3.34Å; R109-T224 HydrophobicContact CB-CG2 4.08Å; R109-T224 CarbonylContact O-C 3.52Å; R109-T224 VanDerWaalsContact O-CA 3.3Å; R109-T224 WeakPolarHBondContact O-CA 3.43Å; R109-V225 PolarHBondContact O-N 3.26Å
110V97.2Very high93.3Very high13 Ų1330.1 Ų30.18%0.07913%0.132CC..EExtended strand (participates in β ladder)trans-122.3128.8-171.2-178.80000109.7L108 K170 W173 K174 V225 F227L108-V110 HydrophobicContact CD1-CG2 4.35Å; L108-V110 HydrophobicContact CG-CG2 3.81Å; V110-K170 HydrophobicContact CB-CB 4.14Å; V110-K170 HydrophobicContact CG1-CB 3.99Å; V110-W173 HydrophobicContact CB-CE3 4.44Å; V110-W173 HydrophobicContact CG1-CE3 4.1Å; V110-W173 HydrophobicContact CG2-CE3 3.58Å; V110-W173 HydrophobicContact CG2-CZ3 3.5Å; V110-K174 HydrophobicContact CG2-CD 4.45Å; V110-K174 HydrophobicContact CG2-CG 3.85Å; V110-V225 WeakPolarHBondContact CA-O 3.13Å; V110-F227 HydrophobicContact CG1-CD2 3.91Å; V110-F227 HydrophobicContact CG1-CE2 3.82Å
111T95.7Very high93.3Very high41 Ų4121.7 Ų21.725%0.25210%0.1SC..EExtended strand (participates in β ladder)trans-111.6109.9173.8-61.80000107.9V225 E226 F227T111-V225 PolarHBondContact N-O 2.73Å; T111-E226 HydrophobicContact CG2-CG 3.84Å; T111-F227 WeakPolarHBondContact O-CB 3.47Å; T111-F227 PolarHBondContact O-N 3.4Å
112E95Very high93.2Very high21 Ų2120.7 Ų20.710%0.09810%0.096CC..  trans-75.8167.8-179.873-149.7152.900112.3I114 I116 V169 K170 F227 R334E112-I114 PolarHBondContact O-N 3.22Å; E112-I116 HydrophobicContact CB-CD1 4.13Å; E112-I116 HydrophobicContact CG-CD1 4.4Å; E112-V169 WeakPolarHBondContact OE2-CA 3.23Å; E112-V169 WeakPolarHBondContact OE2-CB 3.49Å; E112-V169 PolarHBondContact OE2-N 2.89Å; E112-K170 HydrophobicContact CB-CB 4.34Å; E112-K170 PolarHBondContact OE2-N 3.16Å; E112-F227 CarbonylContact C-O 3.57Å; E112-R334 PolarHBondContact O-NH2 3.01Å
113P94.3Very high93.1Very high1 Ų118 Ų181%0.0068%0.083CC..  trans-62.4131.6170.6-2333.5000111.1F55 L57 N115 I116 F227 N229 A365F55-P113 HydrophobicContact CD2-CB 4.44Å; F55-P113 HydrophobicContact CD2-CG 4.45Å; L57-P113 HydrophobicContact CD1-CG 4.41Å; P113-N115 WeakPolarHBondContact CB-OD1 3.44Å; P113-N115 PolarHBondContact O-N 3.15Å; P113-N115 VanDerWaalsContact O-N 3.17Å; P113-I116 HydrophobicContact CB-CG1 4.18Å; P113-I116 HydrophobicContact CG-CD1 4.31Å; P113-I116 HydrophobicContact CG-CG1 4.44Å; P113-I116 WeakPolarHBondContact O-CB 3.24Å; P113-I116 WeakPolarHBondContact O-CG1 3.37Å; P113-I116 PolarHBondContact O-N 2.93Å; P113-F227 HydrophobicContact CG-CB 4.01Å; P113-N229 HydrophobicContact CB-CB 4.04Å; P113-N229 HydrophobicContact CG-CB 4.29Å; P113-A365 HydrophobicContact CG-CB 3.97Å
114I89.8Confident93Very high14 Ų1416.3 Ų16.37%0.0728%0.077CC..Hα-helixtrans-61.3-28.2-176-171.4171.9000113E112 I116 M117 I232 F330 F332 S333 R334 L337E112-I114 PolarHBondContact O-N 3.22Å; I114-I116 VanDerWaalsContact C-N 3.25Å; I114-I116 PolarHBondContact O-N 3.49Å; I114-M117 PolarHBondContact O-N 2.99Å; I114-I232 HydrophobicContact CG2-CD1 4.45Å; I114-I232 HydrophobicContact CG2-CG1 4.44Å; I114-I232 HydrophobicContact CG2-CG2 3.3Å; I114-F330 HydrophobicContact CG2-CE1 4.41Å; I114-F330 HydrophobicContact CG2-CZ 3.92Å; I114-F332 HydrophobicContact CD1-CD1 3.58Å; I114-F332 HydrophobicContact CD1-CE1 3.74Å; I114-F332 HydrophobicContact CD1-CG 4.47Å; I114-F332 HydrophobicContact CG1-CD1 4.19Å; I114-F332 HydrophobicContact CG1-CE1 3.98Å; I114-F332 HydrophobicContact CG2-CD1 4.42Å; I114-S333 VanDerWaalsContact CD1-C 3.41Å; I114-R334 HydrophobicContact CD1-CB 4.42Å; I114-R334 HydrophobicContact CD1-CG 3.83Å; I114-R334 VanDerWaalsContact CD1-N 3.33Å; I114-R334 HydrophobicContact CG1-CG 3.99Å; I114-L337 HydrophobicContact CD1-CD1 4.3Å; I114-L337 HydrophobicContact CG1-CD1 3.96Å
115N91Very high93Very high0 Ų015.4 Ų15.40%07%0.071CC..Hα-helixtrans-73.1-11.3177.962.1-28.9000114.2F55 P113 M117 L118 R119 N229 I232 D235F55-N115 WeakPolarHBondContact CE2-OD1 3.18Å; F55-N115 WeakPolarHBondContact CZ-ND2 3.45Å; P113-N115 WeakPolarHBondContact CB-OD1 3.44Å; P113-N115 PolarHBondContact O-N 3.15Å; P113-N115 VanDerWaalsContact O-N 3.17Å; N115-M117 PolarHBondContact O-N 2.72Å; N115-L118 HydrophobicContact CB-CD1 4.38Å; N115-L118 WeakPolarHBondContact O-CB 3.45Å; N115-L118 PolarHBondContact O-N 2.77Å; N115-R119 WeakPolarHBondContact O-CG 3.16Å; N115-R119 PolarHBondContact O-N 3.13Å; N115-N229 PolarHBondContact ND2-OD1 3.02Å; N115-I232 HydrophobicContact CB-CB 4.36Å; N115-I232 HydrophobicContact CB-CG1 4.13Å; N115-I232 HydrophobicContact CB-CG2 4.28Å; N115-I232 WeakPolarHBondContact OD1-CG1 3.46Å; N115-D235 HydrophobicContact CB-CB 3.96Å; N115-D235 VanDerWaalsContact CB-OD2 3.31Å; N115-D235 WeakPolarHBondContact CB-OD2 3.42Å; N115-D235 PolarHBondContact ND2-OD2 2.8Å
116I94.4Very high92.9Very high1 Ų115.4 Ų15.41%0.0057%0.071CC..Hα-helixtrans-56.3-46.3166.5-65.1-167.4000109.8L53 F55 L57 E112 P113 I114 L118 R119 E120 V169L53-I116 WeakPolarHBondContact O-CG1 3.42Å; F55-I116 HydrophobicContact CD2-CD1 4.17Å; F55-I116 HydrophobicContact CD2-CG1 3.63Å; F55-I116 HydrophobicContact CE2-CG1 3.63Å; L57-I116 HydrophobicContact CD1-CD1 3.91Å; E112-I116 HydrophobicContact CB-CD1 4.13Å; E112-I116 HydrophobicContact CG-CD1 4.4Å; P113-I116 HydrophobicContact CB-CG1 4.18Å; P113-I116 HydrophobicContact CG-CD1 4.31Å; P113-I116 HydrophobicContact CG-CG1 4.44Å; P113-I116 WeakPolarHBondContact O-CB 3.24Å; P113-I116 WeakPolarHBondContact O-CG1 3.37Å; P113-I116 PolarHBondContact O-N 2.93Å; I114-I116 VanDerWaalsContact C-N 3.25Å; I114-I116 PolarHBondContact O-N 3.49Å; I116-L118 VanDerWaalsContact C-N 3.25Å; I116-L118 PolarHBondContact O-N 3.34Å; I116-R119 PolarHBondContact O-N 3.26Å; I116-E120 HydrophobicContact CG2-CG 4.48Å; I116-E120 WeakPolarHBondContact O-CG 3.13Å; I116-E120 PolarHBondContact O-N 2.84Å; I116-V169 HydrophobicContact CD1-CB 4.04Å; I116-V169 HydrophobicContact CD1-CG1 3.88Å; I116-V169 HydrophobicContact CD1-CG2 4.14Å; I116-V169 HydrophobicContact CG2-CB 4.29Å; I116-V169 HydrophobicContact CG2-CG2 3.65Å
117M91.1Very high92.7Very high48 Ų4815.4 Ų15.424%0.2367%0.071CC..Hα-helixtrans-66.4-29.9-179.1-162.5162.961.500112.2I114 N115 Q121 L337 I341I114-M117 PolarHBondContact O-N 2.99Å; N115-M117 PolarHBondContact O-N 2.72Å; M117-Q121 PolarHBondContact O-N 2.87Å; M117-Q121 VanDerWaalsContact O-N 3.15Å; M117-L337 HydrophobicContact CB-CD1 4.37Å; M117-L337 HydrophobicContact CE-CB 3.27Å; M117-L337 HydrophobicContact CE-CD1 3.21Å; M117-L337 HydrophobicContact CE-CG 3.82Å; M117-I341 HydrophobicContact CE-CD1 3.77Å; M117-I341 HydrophobicContact CG-CD1 3.56Å; M117-I341 HydrophobicContact SD-CD1 3.42Å; M117-I341 WeakPolarHBondContact SD-CD1 2.98Å
118L90.2Very high92.4Very high0 Ų014.6 Ų14.60%07%0.068CC..Hα-helixtrans-69.8-47.8171.9-69.6179.8000111.8N115 I116 E120 Q121 F122 D235 F239 F332 L337N115-L118 HydrophobicContact CB-CD1 4.38Å; N115-L118 WeakPolarHBondContact O-CB 3.45Å; N115-L118 PolarHBondContact O-N 2.77Å; I116-L118 VanDerWaalsContact C-N 3.25Å; I116-L118 PolarHBondContact O-N 3.34Å; L118-E120 VanDerWaalsContact C-N 3.32Å; L118-E120 PolarHBondContact O-N 2.99Å; L118-Q121 WeakPolarHBondContact O-CA 3.37Å; L118-Q121 WeakPolarHBondContact O-CB 3.43Å; L118-Q121 PolarHBondContact O-N 2.78Å; L118-Q121 VanDerWaalsContact O-N 3.07Å; L118-F122 VanDerWaalsContact O-CD2 3.22Å; L118-F122 WeakPolarHBondContact O-CD2 3.33Å; L118-F122 PolarHBondContact O-N 3.38Å; L118-D235 HydrophobicContact CD1-CB 4.16Å; L118-F239 HydrophobicContact CD2-CB 4.16Å; L118-F239 HydrophobicContact CD2-CD1 3.48Å; L118-F239 VanDerWaalsContact CD2-CD1 3.48Å; L118-F239 HydrophobicContact CD2-CD2 4.05Å; L118-F239 HydrophobicContact CD2-CE1 3.67Å; L118-F239 HydrophobicContact CD2-CE2 4.27Å; L118-F239 HydrophobicContact CD2-CG 3.65Å; L118-F239 HydrophobicContact CD2-CZ 4.07Å; L118-F332 HydrophobicContact CD1-CE1 3.81Å; L118-F332 HydrophobicContact CD1-CZ 4.15Å; L118-F332 HydrophobicContact CD2-CE1 4.21Å; L118-F332 HydrophobicContact CD2-CZ 3.81Å; L118-F332 HydrophobicContact CG-CE1 4.1Å; L118-F332 HydrophobicContact CG-CZ 4.22Å; L118-L337 HydrophobicContact CD2-CD1 4.09Å; L118-L337 HydrophobicContact CD2-CD2 3.78Å; L118-L337 HydrophobicContact CG-CD1 4.29Å
119R92Very high92Very high4 Ų414.8 Ų14.82%0.0157%0.069CC..Hα-helixtrans-66-35.1179.9-68.2-166.9179.5-166.2-3.4112.4K52 L53 F55 N115 I116 F122 L123 D235 L354 C362K52-R119 WeakPolarHBondContact O-CD 3.27Å; K52-R119 PolarHBondContact O-NH1 2.89Å; L53-R119 HydrophobicContact CD2-CB 3.81Å; F55-R119 HydrophobicContact CZ-CG 4.46Å; F55-R119 VanDerWaalsContact CZ-NE 3.26Å; N115-R119 WeakPolarHBondContact O-CG 3.16Å; N115-R119 PolarHBondContact O-N 3.13Å; I116-R119 PolarHBondContact O-N 3.26Å; R119-F122 PolarHBondContact O-N 3.36Å; R119-L123 PolarHBondContact O-N 2.81Å; R119-D235 IonicContact CZ-OD1 2.85Å; R119-D235 IonicContact CZ-OD2 2.89Å; R119-D235 IonicContact NE-OD1 3.53Å; R119-D235 PolarHBondContact NE-OD1 3.45Å; R119-D235 IonicContact NE-OD2 3.66Å; R119-D235 PolarHBondContact NE-OD2 3.01Å; R119-D235 IonicContact NH2-OD1 2.73Å; R119-D235 PolarHBondContact NH2-OD1 3.19Å; R119-D235 IonicContact NH2-OD2 2.77Å; R119-D235 PolarHBondContact NH2-OD2 2.75Å; R119-L354 HydrophobicContact CB-CD2 4.32Å; R119-L354 HydrophobicContact CG-CD2 4.4Å; R119-C362 PolarHBondContact NH1-SG 3.18Å; R119-C362 VanDerWaalsContact NH1-SG 3.43Å
120E92.8Very high91.5Very high26 Ų2610 Ų1012%0.1215%0.052CC..Hα-helixtrans-62.6-42.2168.6-75.2-177.5-164.700112R25 L53 I116 L118 F122 L123 W124R25-E120 IonicContact CZ-OE1 3.48Å; R25-E120 IonicContact NH1-OE1 2.7Å; R25-E120 PolarHBondContact NH1-OE1 3.04Å; R25-E120 IonicContact NH2-OE1 3.55Å; R25-E120 PolarHBondContact NH2-OE1 2.77Å; L53-E120 HydrophobicContact CD2-CG 4.48Å; I116-E120 HydrophobicContact CG2-CG 4.48Å; I116-E120 WeakPolarHBondContact O-CG 3.13Å; I116-E120 PolarHBondContact O-N 2.84Å; L118-E120 VanDerWaalsContact C-N 3.32Å; L118-E120 PolarHBondContact O-N 2.99Å; E120-F122 VanDerWaalsContact C-N 3.32Å; E120-F122 PolarHBondContact O-N 3.25Å; E120-L123 WeakPolarHBondContact O-CB 3.4Å; E120-L123 PolarHBondContact O-N 2.87Å; E120-L123 VanDerWaalsContact O-N 3.16Å; E120-W124 VanDerWaalsContact O-CG 3.32Å; E120-W124 PolarHBondContact O-N 2.81Å
121Q90.4Very high90.8Very high4 Ų49.7 Ų9.72%0.0195%0.051CC..Hα-helixtrans-62.9-39.1176.1-177.459.254.800112.2M117 L118 L123 W124 D125 F239 L344M117-Q121 PolarHBondContact O-N 2.87Å; M117-Q121 VanDerWaalsContact O-N 3.15Å; L118-Q121 WeakPolarHBondContact O-CA 3.37Å; L118-Q121 WeakPolarHBondContact O-CB 3.43Å; L118-Q121 PolarHBondContact O-N 2.78Å; L118-Q121 VanDerWaalsContact O-N 3.07Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-W124 PolarHBondContact O-N 3.17Å; Q121-D125 WeakPolarHBondContact O-CB 3.37Å; Q121-D125 PolarHBondContact O-N 3.23Å; Q121-F239 HydrophobicContact CB-CE2 4.43Å; Q121-F239 HydrophobicContact CG-CE2 3.83Å; Q121-F239 HydrophobicContact CG-CZ 4.27Å; Q121-L344 HydrophobicContact CG-CD1 3.95Å
122F91.9Very high90.2Very high1 Ų110.7 Ų10.70%0.0045%0.054CC..Hα-helixtrans-64.4-37.4172.5-71.1-55.4000112.5L118 R119 E120 D125 E126 E238 F239 Y242 S351 Y353 L354L118-F122 VanDerWaalsContact O-CD2 3.22Å; L118-F122 WeakPolarHBondContact O-CD2 3.33Å; L118-F122 PolarHBondContact O-N 3.38Å; R119-F122 PolarHBondContact O-N 3.36Å; E120-F122 VanDerWaalsContact C-N 3.32Å; E120-F122 PolarHBondContact O-N 3.25Å; F122-D125 WeakPolarHBondContact O-CB 3.29Å; F122-D125 PolarHBondContact O-N 3.41Å; F122-E126 WeakPolarHBondContact O-CG 3.19Å; F122-E126 PolarHBondContact O-N 2.94Å; F122-E238 HydrophobicContact CZ-CG 4.31Å; F122-F239 HydrophobicContact CE1-CB 4.45Å; F122-F239 AromaticContact CE1-CD2 3.84Å; F122-F239 HydrophobicContact CE1-CD2 3.84Å; F122-F239 HydrophobicContact CE2-CB 4.15Å; F122-F239 HydrophobicContact CE2-CD2 4.27Å; F122-F239 HydrophobicContact CZ-CB 3.63Å; F122-F239 AromaticContact CZ-CD2 3.72Å; F122-F239 HydrophobicContact CZ-CD2 3.72Å; F122-F239 HydrophobicContact CZ-CG 4.18Å; F122-Y242 AromaticContact CE1-CD2 3.64Å; F122-Y242 HydrophobicContact CE1-CD2 3.64Å; F122-Y242 HydrophobicContact CE1-CE2 4.04Å; F122-Y242 HydrophobicContact CZ-CD2 4.18Å; F122-S351 WeakPolarHBondContact CD1-OG 3.38Å; F122-Y353 AromaticContact CD2-CD1 3.58Å; F122-Y353 HydrophobicContact CD2-CD1 3.58Å; F122-Y353 HydrophobicContact CD2-CE1 4.29Å; F122-Y353 HydrophobicContact CD2-CG 4.41Å; F122-Y353 AromaticContact CE2-CD1 3.51Å; F122-Y353 HydrophobicContact CE2-CD1 3.51Å; F122-Y353 HydrophobicContact CE2-CE1 4.02Å; F122-Y353 HydrophobicContact CE2-CG 4.2Å; F122-Y353 HydrophobicContact CG-CD1 4.23Å; F122-Y353 HydrophobicContact CZ-CD1 4.1Å; F122-Y353 HydrophobicContact CZ-CG 4.35Å; F122-L354 HydrophobicContact CB-CD1 4.12Å; F122-L354 HydrophobicContact CB-CG 3.95Å
123L92.9Very high89.2Confident0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-64.7-46.6175.5178.965.1000111.8M13 F16 I18 L26 L53 R119 E120 Q121 D125 E126 L127 L354M13-L123 HydrophobicContact CE-CD2 3.77Å; M13-L123 HydrophobicContact CE-CG 4.36Å; M13-L123 HydrophobicContact CG-CD1 4.36Å; M13-L123 HydrophobicContact CG-CD2 4.48Å; M13-L123 HydrophobicContact SD-CD2 4.35Å; F16-L123 HydrophobicContact CD2-CD1 4.31Å; I18-L123 HydrophobicContact CD1-CD1 3.78Å; I18-L123 HydrophobicContact CD1-CD2 3.87Å; I18-L123 HydrophobicContact CD1-CG 4.45Å; L26-L123 HydrophobicContact CD1-CD2 3.81Å; L53-L123 HydrophobicContact CD1-CD2 3.73Å; L53-L123 HydrophobicContact CD2-CD2 4.42Å; R119-L123 PolarHBondContact O-N 2.81Å; E120-L123 WeakPolarHBondContact O-CB 3.4Å; E120-L123 PolarHBondContact O-N 2.87Å; E120-L123 VanDerWaalsContact O-N 3.16Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; L123-D125 VanDerWaalsContact C-N 3.27Å; L123-D125 PolarHBondContact O-N 3.06Å; L123-E126 PolarHBondContact O-N 3.29Å; L123-L127 HydrophobicContact CD1-CD1 4.46Å; L123-L127 HydrophobicContact CD1-CG 4.46Å; L123-L127 HydrophobicContact CG-CD1 4.26Å; L123-L127 WeakPolarHBondContact O-CG 3.44Å; L123-L127 PolarHBondContact O-N 3.44Å; L123-L354 HydrophobicContact CB-CD1 3.71Å; L123-L354 HydrophobicContact CD1-CD1 4.23Å
124W91.7Very high87.8Confident6 Ų616.6 Ų16.62%0.0238%0.084CC..Hα-helixtrans-60-41.9176.7-63.2131.3000111.5M13 L26 E120 Q121 L127 I128 I159 L162 R163 A166M13-W124 HydrophobicContact CE-CZ3 4.42Å; L26-W124 HydrophobicContact CB-CH2 4.14Å; L26-W124 HydrophobicContact CD2-CH2 4.29Å; L26-W124 HydrophobicContact CD2-CZ2 3.82Å; E120-W124 VanDerWaalsContact O-CG 3.32Å; E120-W124 PolarHBondContact O-N 2.81Å; Q121-W124 PolarHBondContact O-N 3.17Å; W124-L127 HydrophobicContact CE3-CD1 3.97Å; W124-L127 HydrophobicContact CZ3-CD1 4.09Å; W124-L127 PolarHBondContact O-N 2.74Å; W124-I128 VanDerWaalsContact O-CG1 3.23Å; W124-I128 WeakPolarHBondContact O-CG1 3.48Å; W124-I128 PolarHBondContact O-N 2.72Å; W124-I159 HydrophobicContact CE3-CG2 3.65Å; W124-I159 HydrophobicContact CZ3-CG2 4.19Å; W124-L162 HydrophobicContact CH2-CB 4.12Å; W124-L162 HydrophobicContact CZ3-CB 4.18Å; W124-R163 HydrophobicContact CD2-CB 4.3Å; W124-R163 HydrophobicContact CD2-CG 4.46Å; W124-R163 HydrophobicContact CH2-CB 4.42Å; W124-R163 HydrophobicContact CZ2-CB 4.04Å; W124-R163 HydrophobicContact CZ2-CG 4.34Å; W124-A166 HydrophobicContact CZ2-CB 4.19Å
125D90.2Very high86.6Confident1 Ų120.2 Ų20.21%0.00511%0.106CC..Hα-helixtrans-58.8-50.8174.7-178.659.8000112.2Q121 F122 L123 L127 I128 C129 C348 L349 Q350 S351Q121-D125 WeakPolarHBondContact O-CB 3.37Å; Q121-D125 PolarHBondContact O-N 3.23Å; F122-D125 WeakPolarHBondContact O-CB 3.29Å; F122-D125 PolarHBondContact O-N 3.41Å; L123-D125 VanDerWaalsContact C-N 3.27Å; L123-D125 PolarHBondContact O-N 3.06Å; D125-L127 VanDerWaalsContact C-N 3.34Å; D125-L127 PolarHBondContact O-N 3.03Å; D125-I128 PolarHBondContact O-N 3.46Å; D125-I128 VanDerWaalsContact O-N 3.14Å; D125-C129 PolarHBondContact O-N 2.96Å; D125-C129 PolarHBondContact O-SG 3.42Å; D125-C348 VanDerWaalsContact OD1-C 3.3Å; D125-C348 WeakPolarHBondContact OD1-CA 3.42Å; D125-L349 PolarHBondContact OD1-N 3.44Å; D125-Q350 PolarHBondContact OD1-N 3.28Å; D125-Q350 PolarHBondContact OD2-N 2.94Å; D125-S351 WeakPolarHBondContact OD2-CA 3.39Å; D125-S351 WeakPolarHBondContact OD2-CB 3.32Å; D125-S351 PolarHBondContact OD2-N 3.31Å; D125-S351 PolarHBondContact OD2-OG 3.24Å
126E89.6Confident85.1Confident0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-59.7-42.3178.9-75-174.5170.500112.3F16 F122 L123 C129 M130 L354 R355F16-E126 WeakPolarHBondContact CE1-OE2 3.17Å; F16-E126 WeakPolarHBondContact CZ-OE2 3.4Å; F122-E126 WeakPolarHBondContact O-CG 3.19Å; F122-E126 PolarHBondContact O-N 2.94Å; L123-E126 PolarHBondContact O-N 3.29Å; E126-C129 PolarHBondContact O-N 2.93Å; E126-M130 VanDerWaalsContact O-CG 3.22Å; E126-M130 WeakPolarHBondContact O-CG 3.38Å; E126-M130 PolarHBondContact O-N 3.07Å; E126-L354 PolarHBondContact OE1-N 2.69Å; E126-R355 IonicContact OE1-CZ 3.7Å; E126-R355 PolarHBondContact OE1-N 2.8Å; E126-R355 IonicContact OE1-NE 3.41Å
127L90.3Very high83.4Confident0 Ų028.8 Ų28.80%015%0.152CC..Hα-helixtrans-64-40.6175.7-67.9174.1000112I9 M13 L123 W124 D125 M130 S131 F154 I159I9-L127 HydrophobicContact CG2-CD1 4.1Å; I9-L127 HydrophobicContact CG2-CD2 4.27Å; M13-L127 HydrophobicContact CE-CD1 3.8Å; L123-L127 HydrophobicContact CD1-CD1 4.46Å; L123-L127 HydrophobicContact CD1-CG 4.46Å; L123-L127 HydrophobicContact CG-CD1 4.26Å; L123-L127 WeakPolarHBondContact O-CG 3.44Å; L123-L127 PolarHBondContact O-N 3.44Å; W124-L127 HydrophobicContact CE3-CD1 3.97Å; W124-L127 HydrophobicContact CZ3-CD1 4.09Å; W124-L127 PolarHBondContact O-N 2.74Å; D125-L127 VanDerWaalsContact C-N 3.34Å; D125-L127 PolarHBondContact O-N 3.03Å; L127-M130 PolarHBondContact O-N 3Å; L127-S131 PolarHBondContact O-N 2.92Å; L127-S131 VanDerWaalsContact O-N 3.08Å; L127-F154 HydrophobicContact CD2-CZ 4.47Å; L127-I159 HydrophobicContact CB-CD1 3.77Å; L127-I159 HydrophobicContact CB-CG1 4.28Å; L127-I159 HydrophobicContact CB-CG2 4.46Å; L127-I159 VanDerWaalsContact O-CD1 3.31Å; L127-I159 WeakPolarHBondContact O-CD1 3.29Å
128I88.9Confident81.7Confident0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-64.7-46.9178.1-70.6168.2000109.7W124 D125 M130 S131 I132 K156 I159 C348W124-I128 VanDerWaalsContact O-CG1 3.23Å; W124-I128 WeakPolarHBondContact O-CG1 3.48Å; W124-I128 PolarHBondContact O-N 2.72Å; D125-I128 PolarHBondContact O-N 3.46Å; D125-I128 VanDerWaalsContact O-N 3.14Å; I128-M130 VanDerWaalsContact C-N 3.27Å; I128-M130 PolarHBondContact O-N 3.46Å; I128-S131 PolarHBondContact O-N 3.08Å; I128-S131 VanDerWaalsContact O-N 3.09Å; I128-S131 PolarHBondContact O-OG 3.29Å; I128-I132 HydrophobicContact CG2-CD1 3.78Å; I128-I132 HydrophobicContact CG2-CG1 4.44Å; I128-I132 WeakPolarHBondContact O-CG1 3.32Å; I128-I132 PolarHBondContact O-N 2.79Å; I128-K156 HydrophobicContact CG1-CG 4.31Å; I128-K156 HydrophobicContact CG2-CD 4.23Å; I128-K156 HydrophobicContact CG2-CG 4.1Å; I128-I159 HydrophobicContact CB-CD1 4.35Å; I128-I159 HydrophobicContact CG1-CB 4.36Å; I128-I159 HydrophobicContact CG1-CD1 3.8Å; I128-I159 HydrophobicContact CG1-CG2 4.04Å; I128-C348 HydrophobicContact CG2-CB 3.93Å
129C87.2Confident80.2Confident9 Ų934.1 Ų34.16%0.06119%0.191CC..Hα-helixtrans-62.3-37.5-179.2-540000111D125 E126 S131 I132 D133 C348D125-C129 PolarHBondContact O-N 2.96Å; D125-C129 PolarHBondContact O-SG 3.42Å; E126-C129 PolarHBondContact O-N 2.93Å; C129-S131 PolarHBondContact O-N 3.45Å; C129-I132 PolarHBondContact O-N 3.47Å; C129-D133 VanDerWaalsContact O-CG 3.26Å; C129-D133 PolarHBondContact O-N 3.3Å; C129-C348 WeakPolarHBondContact CB-SG 3.4Å; C129-C348 WeakPolarHBondContact SG-CB 3.23Å; C129-C348 CovalentContact SG-SG 2.06Å; C129-C348 PolarHBondContact SG-SG 2.97Å
130M84.2Confident78.2Confident21 Ų2140.4 Ų40.410%0.10323%0.225CC..Hα-helixtrans-62.4-40.1172.5-69.4167.765.400113.4Y12 E126 L127 I128 I132 H134Y12-M130 HydrophobicContact CD1-CE 3.53Å; Y12-M130 HydrophobicContact CD2-CE 3.54Å; Y12-M130 HydrophobicContact CE1-CE 3.34Å; Y12-M130 HydrophobicContact CE2-CE 3.34Å; Y12-M130 HydrophobicContact CG-CE 3.62Å; E126-M130 VanDerWaalsContact O-CG 3.22Å; E126-M130 WeakPolarHBondContact O-CG 3.38Å; E126-M130 PolarHBondContact O-N 3.07Å; L127-M130 PolarHBondContact O-N 3Å; I128-M130 VanDerWaalsContact C-N 3.27Å; I128-M130 PolarHBondContact O-N 3.46Å; M130-I132 VanDerWaalsContact C-N 3.29Å; M130-I132 PolarHBondContact O-N 3.46Å; M130-H134 PolarHBondContact O-N 3.45Å
131S84.2Confident75.8Confident6 Ų641.1 Ų41.14%0.04223%0.233CC..Hα-helixtrans-64.1-35.1175.776.20000112.1L127 I128 C129 V135L127-S131 PolarHBondContact O-N 2.92Å; L127-S131 VanDerWaalsContact O-N 3.08Å; I128-S131 PolarHBondContact O-N 3.08Å; I128-S131 VanDerWaalsContact O-N 3.09Å; I128-S131 PolarHBondContact O-OG 3.29Å; C129-S131 PolarHBondContact O-N 3.45Å; S131-V135 WeakPolarHBondContact O-CG2 3.5Å; S131-V135 PolarHBondContact O-N 3.27Å
132I81.5Confident73.7Confident62 Ų6245.8 Ų45.832%0.31827%0.266SS..Hα-helixtrans-74.3-46.4179.2-65.7167.7000111I128 C129 M130 H134 V135 N136 C348I128-I132 HydrophobicContact CG2-CD1 3.78Å; I128-I132 HydrophobicContact CG2-CG1 4.44Å; I128-I132 WeakPolarHBondContact O-CG1 3.32Å; I128-I132 PolarHBondContact O-N 2.79Å; C129-I132 PolarHBondContact O-N 3.47Å; M130-I132 VanDerWaalsContact C-N 3.29Å; M130-I132 PolarHBondContact O-N 3.46Å; I132-H134 PolarHBondContact O-N 2.74Å; I132-V135 PolarHBondContact O-N 2.87Å; I132-N136 PolarHBondContact O-N 3.47Å; I132-C348 HydrophobicContact CD1-CB 4.05Å
133D75.2Confident71.6Confident90 Ų9051.2 Ų51.248%0.48130%0.3SS..Hα-helixtrans-58.4-36.3179.3-69.9-19.8000111.2C129 N136 N137C129-D133 VanDerWaalsContact O-CG 3.26Å; C129-D133 PolarHBondContact O-N 3.3Å; D133-N136 PolarHBondContact O-N 2.82Å; D133-N137 WeakPolarHBondContact O-CB 3.38Å; D133-N137 VanDerWaalsContact O-CG 3.24Å; D133-N137 PolarHBondContact O-N 2.87Å; D133-N137 PolarHBondContact O-ND2 3.05Å
134H64.9Low69.3Low56 Ų5658.3 Ų58.326%0.25934%0.336SS..Hα-helixtrans-66.4-42.2174.1-175.7-98.5000113.5M130 I132 N136 N137 T138 I152M130-H134 PolarHBondContact O-N 3.45Å; I132-H134 PolarHBondContact O-N 2.74Å; H134-N136 VanDerWaalsContact C-N 3.3Å; H134-N136 PolarHBondContact O-N 3.16Å; H134-N137 PolarHBondContact O-N 2.82Å; H134-T138 WeakPolarHBondContact O-CG2 3.38Å; H134-T138 PolarHBondContact O-N 2.81Å; H134-T138 PolarHBondContact O-OG1 2.79Å; H134-I152 HydrophobicContact CB-CB 3.88Å; H134-I152 HydrophobicContact CB-CD1 3.92Å; H134-I152 HydrophobicContact CB-CG1 4.45Å; H134-I152 HydrophobicContact CB-CG2 4.11Å; H134-I152 PolarHBondContact CE1-O 2.7Å; H134-I152 VanDerWaalsContact CE1-O 3.25Å; H134-I152 PolarHBondContact ND1-O 2.77Å
135V63.2Low66.8Low89 Ų8966 Ų6654%0.53937%0.372SS..Hα-helixtrans-62.4-41.2176.9172.20000110.4S131 I132 T138 S139S131-V135 WeakPolarHBondContact O-CG2 3.5Å; S131-V135 PolarHBondContact O-N 3.27Å; I132-V135 PolarHBondContact O-N 2.87Å; V135-T138 WeakPolarHBondContact CA-OG1 3.5Å; V135-T138 PolarHBondContact O-N 2.97Å; V135-T138 PolarHBondContact O-OG1 2.83Å; V135-S139 PolarHBondContact O-N 3.41Å; V135-S139 VanDerWaalsContact O-N 3.11Å; V135-S139 PolarHBondContact O-OG 3.04Å
136N61Low64.5Low78 Ų7872.3 Ų72.342%0.41740%0.399SS..Hα-helixtrans-70.4-37.1178.6-68.8-23.3000112.8I132 D133 H134 S139 N140I132-N136 PolarHBondContact O-N 3.47Å; D133-N136 PolarHBondContact O-N 2.82Å; H134-N136 VanDerWaalsContact C-N 3.3Å; H134-N136 PolarHBondContact O-N 3.16Å; N136-S139 PolarHBondContact O-N 2.7Å; N136-S139 PolarHBondContact O-OG 3.05Å; N136-N140 WeakPolarHBondContact O-CB 3.41Å; N136-N140 PolarHBondContact O-N 3.12Å; N136-N140 VanDerWaalsContact O-N 3.14Å
137N57.2Low62Low104 Ų10479.7 Ų79.756%0.55644%0.438SS*.Hα-helixtrans-72.3-32177-73-19.2000112.5D133 H134 S141D133-N137 WeakPolarHBondContact O-CB 3.38Å; D133-N137 VanDerWaalsContact O-CG 3.24Å; D133-N137 PolarHBondContact O-N 2.87Å; D133-N137 PolarHBondContact O-ND2 3.05Å; H134-N137 PolarHBondContact O-N 2.82Å; N137-S141 WeakPolarHBondContact O-CB 3.48Å; N137-S141 PolarHBondContact O-N 3.18Å; N137-S141 PolarHBondContact O-OG 2.71Å
138T57Low59.6Low78 Ų7887.3 Ų87.348%0.47948%0.479SS..Hα-helixtrans-73.8-29.2174.146.70000113.2H134 V135H134-T138 WeakPolarHBondContact O-CG2 3.38Å; H134-T138 PolarHBondContact O-N 2.81Å; H134-T138 PolarHBondContact O-OG1 2.79Å; V135-T138 WeakPolarHBondContact CA-OG1 3.5Å; V135-T138 PolarHBondContact O-N 2.97Å; V135-T138 PolarHBondContact O-OG1 2.83Å
139S57.4Low57.4Low82 Ų8293.8 Ų93.857%0.57351%0.513SS*.Hα-helixtrans-75.9-26.7171.563.30000114V135 N136V135-S139 PolarHBondContact O-N 3.41Å; V135-S139 VanDerWaalsContact O-N 3.11Å; V135-S139 PolarHBondContact O-OG 3.04Å; N136-S139 PolarHBondContact O-N 2.7Å; N136-S139 PolarHBondContact O-OG 3.05Å
140N50.4Low55.7Low136 Ų13696.8 Ų96.873%0.72753%0.533SS*.Hα-helixtrans-107.4-12.1-172.8-68.5-10.3000115.1N136N136-N140 WeakPolarHBondContact O-CB 3.41Å; N136-N140 PolarHBondContact O-N 3.12Å; N136-N140 VanDerWaalsContact O-N 3.14Å
141S43Very low54.6Low41 Ų41102.5 Ų102.529%0.28756%0.559SS.*  trans-94.5121-177.363.70000113.5N137N137-S141 WeakPolarHBondContact O-CB 3.48Å; N137-S141 PolarHBondContact O-N 3.18Å; N137-S141 PolarHBondContact O-OG 2.71Å
142S45.1Very low53.6Low102 Ų102103.5 Ų103.571%0.71356%0.564SS**  trans-57147.5157.950.20000110.7I144S142-I144 PolarHBondContact O-N 3.13Å
143T48Very low53.3Low115 Ų115103.5 Ų103.571%0.70657%0.567SS**THydrogen-bonded Turntrans-45.7-1.3-164.16.60000120.5
144I45.9Very low53.7Low148 Ų14899.6 Ų99.676%0.75955%0.546SS*.THydrogen-bonded Turntrans-102-19.4-166.2-60.4177.7000114.3S142 K146S142-I144 PolarHBondContact O-N 3.13Å; I144-K146 PolarHBondContact O-N 3.13Å
145E39.4Very low54.8Low167 Ų167100.3 Ų100.378%0.7855%0.554SS**SBendtrans-88.59.7178.8-76.3-171.9163.800115.3L147E145-L147 VanDerWaalsContact C-N 3.29Å; E145-L147 PolarHBondContact O-N 3.24Å
146K41Very low55.8Low134 Ų13499.2 Ų99.258%0.58354%0.542SS*.THydrogen-bonded Turntrans-73.6-4.8-175.7-77.5-174.8176.7-179.80116.1I144I144-K146 PolarHBondContact O-N 3.13Å
147L37.3Very low57Low155 Ų155100.9 Ų100.981%0.81255%0.551SS**THydrogen-bonded Turntrans-102-15.2-161.9-88.7145.9000117.4E145E145-L147 VanDerWaalsContact C-N 3.29Å; E145-L147 PolarHBondContact O-N 3.24Å
148N40.1Very low58.5Low161 Ų16197.6 Ų97.686%0.86153%0.533SS*.SBendtrans-124.12.6-172.3-81.1-11.8000117.1
149N42.4Very low60Low135 Ų13594 Ų9472%0.72251%0.511SS*.SBendtrans-106.1134.7171.6-107.1-23.8000109.9Q151N149-Q151 PolarHBondContact O-N 3.31Å
150P51.9Low61.4Low73 Ų7390.7 Ų90.747%0.47449%0.487SS..  trans-54.6117.5170.823.1-30.4000107.4I152P150-I152 PolarHBondContact O-N 2.89Å
151Q61Low63.2Low140 Ų14087.4 Ų87.465%0.65447%0.472SS*.  trans-52.5118.2179.9-71.1176.7-11.900107.8N149 T153N149-Q151 PolarHBondContact O-N 3.31Å; Q151-T153 HydrophobicContact CB-CG2 4.36Å; Q151-T153 WeakPolarHBondContact O-CG2 3.36Å; Q151-T153 PolarHBondContact O-N 2.75Å; Q151-T153 VanDerWaalsContact O-N 3.12Å
152I63.7Low65.5Low28 Ų2885.8 Ų85.814%0.14446%0.46CS..  trans-73.6108.7176.2-68.3166.5000105.6H134 P150 F154H134-I152 HydrophobicContact CB-CB 3.88Å; H134-I152 HydrophobicContact CB-CD1 3.92Å; H134-I152 HydrophobicContact CB-CG1 4.45Å; H134-I152 HydrophobicContact CB-CG2 4.11Å; H134-I152 PolarHBondContact CE1-O 2.7Å; H134-I152 VanDerWaalsContact CE1-O 3.25Å; H134-I152 PolarHBondContact ND1-O 2.77Å; P150-I152 PolarHBondContact O-N 2.89Å; I152-F154 HydrophobicContact CG2-CD1 4.06Å; I152-F154 HydrophobicContact CG2-CD2 4.43Å; I152-F154 HydrophobicContact CG2-CE1 3.8Å; I152-F154 HydrophobicContact CG2-CE2 4.17Å; I152-F154 HydrophobicContact CG2-CG 4.37Å; I152-F154 HydrophobicContact CG2-CZ 3.86Å
153T73.3Confident67.6Low62 Ų6282.7 Ų82.738%0.3843%0.433SS..  trans-100.510.2-169.443.10000113.5A5 Q151A5-T153 WeakPolarHBondContact CA-OG1 3.15Å; A5-T153 PolarHBondContact N-OG1 3.07Å; Q151-T153 HydrophobicContact CB-CG2 4.36Å; Q151-T153 WeakPolarHBondContact O-CG2 3.36Å; Q151-T153 PolarHBondContact O-N 2.75Å; Q151-T153 VanDerWaalsContact O-N 3.12Å
154F85.3Confident69.5Low8 Ų881 Ų814%0.03543%0.425CS..  trans-121.4149.9-178.757.3-92000112.4M1 A5 I9 L127 I152 D158 I159M1-F154 HydrophobicContact CE-CB 3.9Å; A5-F154 HydrophobicContact CB-CB 4.14Å; I9-F154 HydrophobicContact CD1-CB 4.16Å; I9-F154 HydrophobicContact CD1-CD1 3.88Å; I9-F154 HydrophobicContact CD1-CD2 4.13Å; I9-F154 HydrophobicContact CD1-CE1 4.27Å; I9-F154 HydrophobicContact CD1-CG 3.8Å; I9-F154 HydrophobicContact CG1-CD1 3.52Å; I9-F154 HydrophobicContact CG1-CD2 4.31Å; I9-F154 HydrophobicContact CG1-CE1 3.48Å; I9-F154 VanDerWaalsContact CG1-CE1 3.48Å; I9-F154 HydrophobicContact CG1-CE2 4.28Å; I9-F154 HydrophobicContact CG1-CG 3.95Å; I9-F154 HydrophobicContact CG1-CZ 3.89Å; L127-F154 HydrophobicContact CD2-CZ 4.47Å; I152-F154 HydrophobicContact CG2-CD1 4.06Å; I152-F154 HydrophobicContact CG2-CD2 4.43Å; I152-F154 HydrophobicContact CG2-CE1 3.8Å; I152-F154 HydrophobicContact CG2-CE2 4.17Å; I152-F154 HydrophobicContact CG2-CG 4.37Å; I152-F154 HydrophobicContact CG2-CZ 3.86Å; F154-D158 HydrophobicContact CB-CB 4.29Å; F154-I159 HydrophobicContact CD2-CD1 3.93Å; F154-I159 HydrophobicContact CD2-CG1 4.03Å; F154-I159 HydrophobicContact CE2-CD1 3.95Å; F154-I159 HydrophobicContact CE2-CG1 4.37Å
155T86.4Confident71.6Confident71 Ų7179.5 Ų79.544%0.43641%0.411SS..  trans-102170.8177.866.70000111.5D157 D158 I159T155-D157 VanDerWaalsContact C-N 3.27Å; T155-D157 PolarHBondContact O-N 3.39Å; T155-D157 PolarHBondContact OG1-N 2.97Å; T155-D158 WeakPolarHBondContact CB-OD2 3.36Å; T155-D158 PolarHBondContact N-OD2 3.04Å; T155-D158 WeakPolarHBondContact O-CB 3.28Å; T155-D158 PolarHBondContact O-N 3.06Å; T155-D158 VanDerWaalsContact OG1-CG 3.26Å; T155-D158 PolarHBondContact OG1-N 3.1Å; T155-D158 PolarHBondContact OG1-OD2 3.3Å; T155-I159 PolarHBondContact O-N 3.01Å
156K85.1Confident74.2Confident65 Ų6572.9 Ų72.928%0.28339%0.385SS..Hα-helixtrans-58.5-38.6169.7-179.1-177.6176.8-170.90112.6I128 D158 I159 N160 D346I128-K156 HydrophobicContact CG1-CG 4.31Å; I128-K156 HydrophobicContact CG2-CD 4.23Å; I128-K156 HydrophobicContact CG2-CG 4.1Å; K156-D158 VanDerWaalsContact C-N 3.32Å; K156-D158 PolarHBondContact O-N 2.72Å; K156-I159 PolarHBondContact O-N 3.06Å; K156-N160 PolarHBondContact O-N 2.76Å; K156-D346 VanDerWaalsContact CE-CA 3.47Å; K156-D346 WeakPolarHBondContact CE-O 3.14Å; K156-D346 PolarHBondContact NZ-O 2.99Å; K156-D346 IonicContact NZ-OD1 2.7Å
157D86.3Confident76.7Confident113 Ų11367.7 Ų67.760%0.60436%0.363SS*.Hα-helixtrans-66.1-37.6179.5-68.5-36.5000111.5T155 I159 N160 V161T155-D157 VanDerWaalsContact C-N 3.27Å; T155-D157 PolarHBondContact O-N 3.39Å; T155-D157 PolarHBondContact OG1-N 2.97Å; D157-I159 VanDerWaalsContact C-N 3.33Å; D157-I159 PolarHBondContact O-N 3.19Å; D157-N160 WeakPolarHBondContact O-CB 3.46Å; D157-N160 PolarHBondContact O-N 2.95Å; D157-V161 WeakPolarHBondContact O-CG2 3.49Å; D157-V161 PolarHBondContact O-N 3.01Å
158D88Confident79.4Confident36 Ų3662.9 Ų62.919%0.19334%0.341CS..Hα-helixtrans-59.6-43173.6-66.8-54.5000112M1 F154 T155 K156 N160 V161 L162M1-D158 HydrophobicContact CE-CB 3.65Å; M1-D158 HydrophobicContact CG-CB 3.91Å; M1-D158 WeakPolarHBondContact CG-OD1 3.4Å; M1-D158 HydrophobicContact SD-CB 3.8Å; F154-D158 HydrophobicContact CB-CB 4.29Å; T155-D158 WeakPolarHBondContact CB-OD2 3.36Å; T155-D158 PolarHBondContact N-OD2 3.04Å; T155-D158 WeakPolarHBondContact O-CB 3.28Å; T155-D158 PolarHBondContact O-N 3.06Å; T155-D158 VanDerWaalsContact OG1-CG 3.26Å; T155-D158 PolarHBondContact OG1-N 3.1Å; T155-D158 PolarHBondContact OG1-OD2 3.3Å; K156-D158 VanDerWaalsContact C-N 3.32Å; K156-D158 PolarHBondContact O-N 2.72Å; D158-N160 VanDerWaalsContact C-N 3.34Å; D158-N160 PolarHBondContact O-N 2.7Å; D158-V161 WeakPolarHBondContact O-CB 3.23Å; D158-V161 PolarHBondContact O-N 2.91Å; D158-L162 PolarHBondContact O-N 2.84Å
159I89.2Confident82.1Confident1 Ų155.2 Ų55.21%0.00530%0.3CS..Hα-helixtrans-63.8-42.1177.2-62.1163.8000110.7W124 L127 I128 F154 T155 K156 D157 V161 L162 R163W124-I159 HydrophobicContact CE3-CG2 3.65Å; W124-I159 HydrophobicContact CZ3-CG2 4.19Å; L127-I159 HydrophobicContact CB-CD1 3.77Å; L127-I159 HydrophobicContact CB-CG1 4.28Å; L127-I159 HydrophobicContact CB-CG2 4.46Å; L127-I159 VanDerWaalsContact O-CD1 3.31Å; L127-I159 WeakPolarHBondContact O-CD1 3.29Å; I128-I159 HydrophobicContact CB-CD1 4.35Å; I128-I159 HydrophobicContact CG1-CB 4.36Å; I128-I159 HydrophobicContact CG1-CD1 3.8Å; I128-I159 HydrophobicContact CG1-CG2 4.04Å; F154-I159 HydrophobicContact CD2-CD1 3.93Å; F154-I159 HydrophobicContact CD2-CG1 4.03Å; F154-I159 HydrophobicContact CE2-CD1 3.95Å; F154-I159 HydrophobicContact CE2-CG1 4.37Å; T155-I159 PolarHBondContact O-N 3.01Å; K156-I159 PolarHBondContact O-N 3.06Å; D157-I159 VanDerWaalsContact C-N 3.33Å; D157-I159 PolarHBondContact O-N 3.19Å; I159-V161 VanDerWaalsContact C-N 3.27Å; I159-V161 PolarHBondContact O-N 3.07Å; I159-L162 PolarHBondContact O-N 2.81Å; I159-R163 WeakPolarHBondContact O-CB 2.95Å; I159-R163 PolarHBondContact O-N 3.23Å
160N87.7Confident84.7Confident14 Ų1452.9 Ų52.98%0.07528%0.283CS..Hα-helixtrans-62.6-34.9175.7-84.3-32.5000112.7K156 D157 D158 S164 K345 D346K156-N160 PolarHBondContact O-N 2.76Å; D157-N160 WeakPolarHBondContact O-CB 3.46Å; D157-N160 PolarHBondContact O-N 2.95Å; D158-N160 VanDerWaalsContact C-N 3.34Å; D158-N160 PolarHBondContact O-N 2.7Å; N160-S164 PolarHBondContact O-N 3.14Å; N160-S164 VanDerWaalsContact O-N 3.17Å; N160-K345 WeakPolarHBondContact OD1-CG 3.25Å; N160-K345 PolarHBondContact OD1-O 3.01Å; N160-D346 PolarHBondContact ND2-OD1 3.18Å
161V88.1Confident86.7Confident67 Ų6751.5 Ų51.541%0.40627%0.274SS..Hα-helixtrans-65-49.9172.7177.30000110.2D157 D158 I159 R163 S164 Y165D157-V161 WeakPolarHBondContact O-CG2 3.49Å; D157-V161 PolarHBondContact O-N 3.01Å; D158-V161 WeakPolarHBondContact O-CB 3.23Å; D158-V161 PolarHBondContact O-N 2.91Å; I159-V161 VanDerWaalsContact C-N 3.27Å; I159-V161 PolarHBondContact O-N 3.07Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 2.93Å; V161-S164 WeakPolarHBondContact O-CB 3.32Å; V161-S164 PolarHBondContact O-N 3.41Å; V161-S164 PolarHBondContact O-OG 2.72Å; V161-Y165 HydrophobicContact CG1-CD2 3.95Å; V161-Y165 HydrophobicContact CG1-CE2 3.69Å; V161-Y165 VanDerWaalsContact O-CD2 3.25Å; V161-Y165 WeakPolarHBondContact O-CD2 3.17Å; V161-Y165 PolarHBondContact O-N 2.96Å
162L89.9Confident88.4Confident6 Ų644.8 Ų44.83%0.03124%0.243CC..Hα-helixtrans-55.5-47.8176.6-69.5-176.5000111.9M1 I9 T27 W124 D158 I159 S164 Y165 A166M1-L162 HydrophobicContact CE-CD1 4.31Å; M1-L162 HydrophobicContact SD-CD1 3.81Å; M1-L162 HydrophobicContact SD-CD2 3.68Å; M1-L162 HydrophobicContact SD-CG 3.57Å; M1-L162 VanDerWaalsContact SD-CG 3.57Å; I9-L162 HydrophobicContact CD1-CD1 3.71Å; T27-L162 HydrophobicContact CG2-CD1 4.47Å; T27-L162 WeakPolarHBondContact O-CD2 3.49Å; W124-L162 HydrophobicContact CH2-CB 4.12Å; W124-L162 HydrophobicContact CZ3-CB 4.18Å; D158-L162 PolarHBondContact O-N 2.84Å; I159-L162 PolarHBondContact O-N 2.81Å; L162-S164 PolarHBondContact O-N 2.93Å; L162-Y165 PolarHBondContact O-N 2.75Å; L162-A166 PolarHBondContact O-N 3.05Å
163R89.3Confident90Very high38 Ų3843.5 Ų43.514%0.14324%0.236CC..Hα-helixtrans-56.5-34177.2-177.4176.7176.8171.24113W124 I159 V161 Y165 I341 L344W124-R163 HydrophobicContact CD2-CB 4.3Å; W124-R163 HydrophobicContact CD2-CG 4.46Å; W124-R163 HydrophobicContact CH2-CB 4.42Å; W124-R163 HydrophobicContact CZ2-CB 4.04Å; W124-R163 HydrophobicContact CZ2-CG 4.34Å; I159-R163 WeakPolarHBondContact O-CB 2.95Å; I159-R163 PolarHBondContact O-N 3.23Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 2.93Å; R163-Y165 VanDerWaalsContact C-N 3.32Å; R163-I341 PolarHBondContact NH2-O 2.89Å; R163-L344 PolarHBondContact NH1-O 3.45Å
164S88.3Confident91.1Very high79 Ų7942.7 Ų42.755%0.55223%0.227SC*.Hα-helixtrans-73.3-22.7178.976.20000114.2N160 V161 L162N160-S164 PolarHBondContact O-N 3.14Å; N160-S164 VanDerWaalsContact O-N 3.17Å; V161-S164 WeakPolarHBondContact O-CB 3.32Å; V161-S164 PolarHBondContact O-N 3.41Å; V161-S164 PolarHBondContact O-OG 2.72Å; L162-S164 PolarHBondContact O-N 2.93Å
165Y90.4Very high91.6Very high117 Ų11744 Ų4446%0.45923%0.232SC..Hα-helixtrans-102.6-2.1178.2-67.3-64.5000113.6G29 V161 L162 R163 I167G29-Y165 VanDerWaalsContact O-CB 3.32Å; G29-Y165 WeakPolarHBondContact O-CB 2.84Å; G29-Y165 WeakPolarHBondContact O-CD1 3.3Å; V161-Y165 HydrophobicContact CG1-CD2 3.95Å; V161-Y165 HydrophobicContact CG1-CE2 3.69Å; V161-Y165 VanDerWaalsContact O-CD2 3.25Å; V161-Y165 WeakPolarHBondContact O-CD2 3.17Å; V161-Y165 PolarHBondContact O-N 2.96Å; L162-Y165 PolarHBondContact O-N 2.75Å; R163-Y165 VanDerWaalsContact C-N 3.32Å; Y165-I167 PolarHBondContact O-N 2.92Å
166A92.7Very high92.1Very high28 Ų2840.9 Ų40.923%0.23121%0.212CC..PPolyproline II helixtrans-59.7130.9-178.600000112.1L26 W124 L162L26-A166 HydrophobicContact CD2-CB 3.71Å; W124-A166 HydrophobicContact CZ2-CB 4.19Å; L162-A166 PolarHBondContact O-N 3.05Å
167I94.1Very high92.7Very high24 Ų2437.8 Ų37.812%0.12320%0.199CC..PPolyproline II helixtrans-90.6129.7178-60172.2000109.7R25 C31 Y165 T171 W175R25-I167 HydrophobicContact CB-CB 4.21Å; R25-I167 PolarHBondContact NH1-O 2.73Å; R25-I167 PolarHBondContact O-N 2.82Å; C31-I167 HydrophobicContact CB-CD1 3.57Å; C31-I167 WeakPolarHBondContact O-CD1 3.37Å; Y165-I167 PolarHBondContact O-N 2.92Å; I167-T171 HydrophobicContact CG2-CG2 3.94Å; I167-W175 HydrophobicContact CD1-CH2 3.66Å; I167-W175 HydrophobicContact CD1-CZ3 3.79Å; I167-W175 HydrophobicContact CG2-CH2 4.38Å; I167-W175 HydrophobicContact CG2-CZ3 4.43Å
168P94.5Very high93.1Very high54 Ų5433.7 Ų33.735%0.35118%0.177SC..PPolyproline II helixtrans-59.1144.7175.8-25.935.4000112.7K170 T171 A172P168-K170 VanDerWaalsContact C-N 3.26Å; P168-K170 HydrophobicContact CB-CG 3.95Å; P168-K170 PolarHBondContact O-N 2.84Å; P168-T171 WeakPolarHBondContact O-CB 3.41Å; P168-T171 PolarHBondContact O-N 3.18Å; P168-A172 PolarHBondContact O-N 2.88Å
169V96.9Very high93.2Very high0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-58-39.4179.6172.20000111.3C54 L57 L58 E112 I116 T171 A172 W173C54-V169 HydrophobicContact CB-CG1 3.93Å; C54-V169 HydrophobicContact CB-CG2 4.11Å; L57-V169 HydrophobicContact CB-CG1 4.07Å; L57-V169 HydrophobicContact CD1-CG1 3.88Å; L58-V169 HydrophobicContact CD1-CG1 4.27Å; L58-V169 HydrophobicContact CD1-CG2 4.39Å; L58-V169 HydrophobicContact CD2-CG1 4.07Å; L58-V169 HydrophobicContact CG-CG1 4.09Å; E112-V169 WeakPolarHBondContact OE2-CA 3.23Å; E112-V169 WeakPolarHBondContact OE2-CB 3.49Å; E112-V169 PolarHBondContact OE2-N 2.89Å; I116-V169 HydrophobicContact CD1-CB 4.04Å; I116-V169 HydrophobicContact CD1-CG1 3.88Å; I116-V169 HydrophobicContact CD1-CG2 4.14Å; I116-V169 HydrophobicContact CG2-CB 4.29Å; I116-V169 HydrophobicContact CG2-CG2 3.65Å; V169-T171 PolarHBondContact O-N 2.93Å; V169-A172 PolarHBondContact O-N 2.93Å; V169-W173 WeakPolarHBondContact O-CB 3.32Å; V169-W173 PolarHBondContact O-N 3.47Å
170K96.1Very high93.4Very high86 Ų8638.7 Ų38.737%0.37420%0.198SC..Hα-helixtrans-57.9-31.5175.668.5-177-177.9-176.40113.9V110 E112 P168 K174V110-K170 HydrophobicContact CB-CB 4.14Å; V110-K170 HydrophobicContact CG1-CB 3.99Å; E112-K170 HydrophobicContact CB-CB 4.34Å; E112-K170 PolarHBondContact OE2-N 3.16Å; P168-K170 VanDerWaalsContact C-N 3.26Å; P168-K170 HydrophobicContact CB-CG 3.95Å; P168-K170 PolarHBondContact O-N 2.84Å; K170-K174 VanDerWaalsContact O-CG 3.28Å; K170-K174 WeakPolarHBondContact O-CG 3.43Å; K170-K174 PolarHBondContact O-N 2.91Å
171T95.3Very high93.7Very high44 Ų4438 Ų3827%0.2720%0.195SC..Hα-helixtrans-77.9-47.2178.3-590000109.6I167 P168 V169 W173 K174 W175I167-T171 HydrophobicContact CG2-CG2 3.94Å; P168-T171 WeakPolarHBondContact O-CB 3.41Å; P168-T171 PolarHBondContact O-N 3.18Å; V169-T171 PolarHBondContact O-N 2.93Å; T171-W173 VanDerWaalsContact C-N 3.29Å; T171-W173 PolarHBondContact O-N 3.34Å; T171-K174 PolarHBondContact O-N 3.43Å; T171-W175 HydrophobicContact CG2-CD2 4.44Å; T171-W175 HydrophobicContact CG2-CH2 4.49Å; T171-W175 HydrophobicContact CG2-CZ2 3.84Å; T171-W175 PolarHBondContact O-N 2.87Å; T171-W175 VanDerWaalsContact O-N 3.17Å
172A96.4Very high94Very high0 Ų035.8 Ų35.80%018%0.182CC..Hα-helixtrans-58.4-40175.100000112.4L36 L58 P168 V169 W175 I176L36-A172 HydrophobicContact CD2-CB 3.56Å; L58-A172 HydrophobicContact CD1-CB 3.98Å; L58-A172 HydrophobicContact CD2-CB 3.75Å; P168-A172 PolarHBondContact O-N 2.88Å; V169-A172 PolarHBondContact O-N 2.93Å; A172-W175 WeakPolarHBondContact O-CB 2.9Å; A172-W175 PolarHBondContact O-N 3.34Å; A172-I176 WeakPolarHBondContact O-CG1 3.2Å; A172-I176 PolarHBondContact O-N 2.94Å
173W97.8Very high94.1Very high1 Ų139.3 Ų39.30%0.00421%0.207CC..Hα-helixtrans-64.2-42.9177.1-175.792000111.9L58 L63 V88 L89 L92 L108 V110 V169 T171 W175 I176 A177 F227L58-W173 HydrophobicContact CD2-CB 4.04Å; L63-W173 PolarHBondContact O-NE1 3.13Å; V88-W173 HydrophobicContact CG1-CZ2 3.98Å; L89-W173 HydrophobicContact CD2-CH2 4.2Å; L89-W173 HydrophobicContact CD2-CZ2 3.95Å; L92-W173 HydrophobicContact CD1-CH2 4.12Å; L108-W173 HydrophobicContact CD1-CZ3 4.18Å; L108-W173 HydrophobicContact CD2-CE3 4.25Å; L108-W173 HydrophobicContact CD2-CH2 4.2Å; L108-W173 HydrophobicContact CD2-CZ3 3.46Å; L108-W173 VanDerWaalsContact CD2-CZ3 3.46Å; L108-W173 HydrophobicContact CG-CZ3 3.92Å; V110-W173 HydrophobicContact CB-CE3 4.44Å; V110-W173 HydrophobicContact CG1-CE3 4.1Å; V110-W173 HydrophobicContact CG2-CE3 3.58Å; V110-W173 HydrophobicContact CG2-CZ3 3.5Å; V169-W173 WeakPolarHBondContact O-CB 3.32Å; V169-W173 PolarHBondContact O-N 3.47Å; T171-W173 VanDerWaalsContact C-N 3.29Å; T171-W173 PolarHBondContact O-N 3.34Å; W173-W175 VanDerWaalsContact C-N 3.31Å; W173-W175 PolarHBondContact O-N 3Å; W173-I176 PolarHBondContact O-N 2.62Å; W173-A177 HydrophobicContact CD2-CB 4.24Å; W173-A177 HydrophobicContact CE3-CB 4.09Å; W173-A177 HydrophobicContact CH2-CB 3.98Å; W173-A177 HydrophobicContact CZ2-CB 4.09Å; W173-A177 HydrophobicContact CZ3-CB 4.01Å; W173-A177 VanDerWaalsContact O-CB 3.29Å; W173-A177 WeakPolarHBondContact O-CB 3.12Å; W173-A177 PolarHBondContact O-N 3.25Å; W173-F227 HydrophobicContact CD2-CE2 4.31Å; W173-F227 HydrophobicContact CD2-CZ 4.48Å; W173-F227 AromaticContact CE2-CZ 3.79Å; W173-F227 HydrophobicContact CH2-CE2 4.4Å; W173-F227 HydrophobicContact CH2-CZ 4.25Å; W173-F227 HydrophobicContact CZ2-CE2 4.16Å; W173-F227 AromaticContact CZ2-CZ 3.7Å; W173-F227 HydrophobicContact CZ2-CZ 3.7Å; W173-F227 AromaticContact NE1-CZ 3.99Å
174K96.5Very high94.3Very high44 Ų4438 Ų3819%0.19120%0.203CC..Hα-helixtrans-59.1-44.2175.8-71.8174.9-167-161.60111.5L108 V110 K170 T171 I176 A177 D178 Y191L108-K174 HydrophobicContact CD2-CG 4.22Å; L108-K174 HydrophobicContact CG-CG 4.33Å; L108-K174 WeakPolarHBondContact O-CE 3.18Å; L108-K174 PolarHBondContact O-NZ 2.83Å; V110-K174 HydrophobicContact CG2-CD 4.45Å; V110-K174 HydrophobicContact CG2-CG 3.85Å; K170-K174 VanDerWaalsContact O-CG 3.28Å; K170-K174 WeakPolarHBondContact O-CG 3.43Å; K170-K174 PolarHBondContact O-N 2.91Å; T171-K174 PolarHBondContact O-N 3.43Å; K174-I176 VanDerWaalsContact C-N 3.31Å; K174-I176 PolarHBondContact O-N 3.48Å; K174-A177 PolarHBondContact O-N 3.46Å; K174-D178 VanDerWaalsContact O-CB 3.23Å; K174-D178 WeakPolarHBondContact O-CB 3.36Å; K174-D178 PolarHBondContact O-N 3.4Å; K174-Y191 HydrophobicContact CB-CE1 4.36Å
175W95.8Very high94.5Very high37 Ų3735 Ų3514%0.1418%0.18CC..Hα-helixtrans-59-41.5178.3-69.2-16.1000113.1Q33 L36 I167 T171 A172 W173 Y191Q33-W175 HydrophobicContact CB-CD2 3.95Å; Q33-W175 HydrophobicContact CB-CE3 4.2Å; Q33-W175 HydrophobicContact CB-CG 4.17Å; Q33-W175 HydrophobicContact CG-CB 3.93Å; Q33-W175 HydrophobicContact CG-CD2 4.12Å; Q33-W175 HydrophobicContact CG-CG 3.82Å; L36-W175 HydrophobicContact CB-CE3 4.16Å; L36-W175 HydrophobicContact CB-CZ3 4.47Å; L36-W175 HydrophobicContact CD2-CB 4.41Å; L36-W175 HydrophobicContact CD2-CE3 3.7Å; L36-W175 HydrophobicContact CD2-CZ3 4.45Å; I167-W175 HydrophobicContact CD1-CH2 3.66Å; I167-W175 HydrophobicContact CD1-CZ3 3.79Å; I167-W175 HydrophobicContact CG2-CH2 4.38Å; I167-W175 HydrophobicContact CG2-CZ3 4.43Å; T171-W175 HydrophobicContact CG2-CD2 4.44Å; T171-W175 HydrophobicContact CG2-CH2 4.49Å; T171-W175 HydrophobicContact CG2-CZ2 3.84Å; T171-W175 PolarHBondContact O-N 2.87Å; T171-W175 VanDerWaalsContact O-N 3.17Å; A172-W175 WeakPolarHBondContact O-CB 2.9Å; A172-W175 PolarHBondContact O-N 3.34Å; W173-W175 VanDerWaalsContact C-N 3.31Å; W173-W175 PolarHBondContact O-N 3Å; W175-Y191 AromaticContact CD1-CE1 3.72Å; W175-Y191 AromaticContact CD1-CZ 3.97Å; W175-Y191 AromaticContact NE1-CE1 3.96Å
176I96.6Very high94.6Very high4 Ų438.3 Ų38.32%0.02120%0.197CC..Hα-helixtrans-69.6-48.4176.9-67165.4000110.4L36 L37 F40 L58 C64 A172 W173 K174 D178L36-I176 HydrophobicContact CD2-CD1 4.23Å; L36-I176 HydrophobicContact CD2-CG1 4.2Å; L37-I176 HydrophobicContact CD2-CG1 4.37Å; F40-I176 HydrophobicContact CB-CG1 4.4Å; F40-I176 HydrophobicContact CD1-CG2 4.13Å; F40-I176 HydrophobicContact CD2-CD1 3.59Å; F40-I176 HydrophobicContact CD2-CG1 3.89Å; F40-I176 HydrophobicContact CD2-CG2 3.79Å; F40-I176 HydrophobicContact CE1-CG2 3.8Å; F40-I176 HydrophobicContact CE2-CD1 4.12Å; F40-I176 HydrophobicContact CE2-CG1 4.4Å; F40-I176 HydrophobicContact CE2-CG2 3.46Å; F40-I176 VanDerWaalsContact CE2-CG2 3.46Å; F40-I176 HydrophobicContact CG-CD1 4.2Å; F40-I176 HydrophobicContact CG-CG1 4.04Å; F40-I176 HydrophobicContact CG-CG2 4.14Å; F40-I176 HydrophobicContact CZ-CG2 3.46Å; F40-I176 VanDerWaalsContact CZ-CG2 3.46Å; L58-I176 HydrophobicContact CB-CD1 4.11Å; L58-I176 HydrophobicContact CD2-CD1 3.84Å; C64-I176 HydrophobicContact CB-CG2 3.93Å; C64-I176 WeakPolarHBondContact O-CG2 3.5Å; A172-I176 WeakPolarHBondContact O-CG1 3.2Å; A172-I176 PolarHBondContact O-N 2.94Å; W173-I176 PolarHBondContact O-N 2.62Å; K174-I176 VanDerWaalsContact C-N 3.31Å; K174-I176 PolarHBondContact O-N 3.48Å; I176-D178 VanDerWaalsContact C-N 3.34Å; I176-D178 PolarHBondContact O-N 2.86Å
177A96.5Very high94.5Very high0 Ų037.4 Ų37.40%019%0.19CC..Hα-helixtrans-67.3-32.1-176.100000113.3L89 L108 W173 K174 E179 K180 L181L89-A177 HydrophobicContact CD2-CB 3.78Å; L108-A177 HydrophobicContact CD2-CB 4.43Å; W173-A177 HydrophobicContact CD2-CB 4.24Å; W173-A177 HydrophobicContact CE3-CB 4.09Å; W173-A177 HydrophobicContact CH2-CB 3.98Å; W173-A177 HydrophobicContact CZ2-CB 4.09Å; W173-A177 HydrophobicContact CZ3-CB 4.01Å; W173-A177 VanDerWaalsContact O-CB 3.29Å; W173-A177 WeakPolarHBondContact O-CB 3.12Å; W173-A177 PolarHBondContact O-N 3.25Å; K174-A177 PolarHBondContact O-N 3.46Å; A177-E179 PolarHBondContact O-N 3.07Å; A177-K180 PolarHBondContact O-N 2.78Å; A177-L181 WeakPolarHBondContact O-CB 3.29Å; A177-L181 PolarHBondContact O-N 2.81Å
178D94.2Very high94.4Very high28 Ų2838.3 Ų38.315%0.1520%0.197CC..Hα-helixtrans-52.7-51.1-177-177.88.2000112.3K174 I176 K180 L181 S182 L189 Y191K174-D178 VanDerWaalsContact O-CB 3.23Å; K174-D178 WeakPolarHBondContact O-CB 3.36Å; K174-D178 PolarHBondContact O-N 3.4Å; I176-D178 VanDerWaalsContact C-N 3.34Å; I176-D178 PolarHBondContact O-N 2.86Å; D178-K180 PolarHBondContact O-N 3.25Å; D178-L181 PolarHBondContact O-N 2.7Å; D178-S182 WeakPolarHBondContact O-CB 3.4Å; D178-S182 PolarHBondContact O-N 3.19Å; D178-S182 PolarHBondContact O-OG 3.19Å; D178-S182 PolarHBondContact OD1-OG 3.48Å; D178-L189 HydrophobicContact CB-CD2 3.77Å; D178-L189 WeakPolarHBondContact OD1-CB 3.48Å; D178-Y191 PolarHBondContact OD2-OH 2.96Å
179E90.8Very high94.3Very high83 Ų8336.5 Ų36.539%0.38818%0.184SC..Hα-helixtrans-54.6-50-175.5-170-162.2124.800111.9H41 A177 S183H41-E179 IonicContact CE1-OE2 2.88Å; H41-E179 PolarHBondContact CE1-OE2 2.81Å; H41-E179 IonicContact NE2-OE2 3.42Å; H41-E179 PolarHBondContact NE2-OE2 3.29Å; A177-E179 PolarHBondContact O-N 3.07Å; E179-S183 WeakPolarHBondContact O-CB 3.26Å; E179-S183 PolarHBondContact O-N 2.94Å
180K93.3Very high94Very high58 Ų5836.8 Ų36.825%0.25219%0.186SC..Hα-helixtrans-79.3-43.4-178.1-59.2-50.9-174-153.50112.3I66 L89 A177 D178 S183 L184I66-K180 HydrophobicContact CD1-CD 4.05Å; I66-K180 HydrophobicContact CD1-CG 4.41Å; I66-K180 HydrophobicContact CG1-CD 4.32Å; I66-K180 HydrophobicContact CG1-CG 4.35Å; I66-K180 HydrophobicContact CG2-CB 4.41Å; L89-K180 HydrophobicContact CD1-CB 3.91Å; A177-K180 PolarHBondContact O-N 2.78Å; D178-K180 PolarHBondContact O-N 3.25Å; K180-S183 WeakPolarHBondContact O-CB 3.42Å; K180-S183 PolarHBondContact O-N 3.48Å; K180-L184 WeakPolarHBondContact O-CB 3.24Å; K180-L184 VanDerWaalsContact O-CG 3.3Å; K180-L184 WeakPolarHBondContact O-CG 3.32Å; K180-L184 PolarHBondContact O-N 3.04Å
181L95.1Very high93.6Very high0 Ų036.6 Ų36.60%018%0.183CC..Hα-helixtrans-69.1-40.5-176.4-174.260.6000111.8L92 Y106 L108 A177 D178 S183 L184 L185L92-L181 HydrophobicContact CB-CD1 4.38Å; L92-L181 HydrophobicContact CD1-CD2 4.22Å; Y106-L181 HydrophobicContact CE2-CD2 3.73Å; Y106-L181 HydrophobicContact CE2-CG 4.22Å; L108-L181 HydrophobicContact CD2-CD2 4.22Å; A177-L181 WeakPolarHBondContact O-CB 3.29Å; A177-L181 PolarHBondContact O-N 2.81Å; D178-L181 PolarHBondContact O-N 2.7Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 3.11Å; L181-L184 PolarHBondContact O-N 3.4Å; L181-L185 HydrophobicContact CD1-CD1 3.83Å; L181-L185 HydrophobicContact CD1-CG 3.97Å; L181-L185 HydrophobicContact CD2-CD1 4.43Å; L181-L185 HydrophobicContact CG-CD1 3.76Å; L181-L185 HydrophobicContact CG-CG 4.28Å; L181-L185 WeakPolarHBondContact O-CB 3.16Å; L181-L185 VanDerWaalsContact O-CG 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.01Å; L181-L185 PolarHBondContact O-N 3.1Å
182S93.9Very high93.1Very high20 Ų2036.5 Ų36.514%0.1419%0.185CC..Hα-helixtrans-66-35175.7-630000111.8Y106 D178 K186 A187 L189Y106-S182 WeakPolarHBondContact CE1-OG 3.43Å; Y106-S182 PolarHBondContact OH-N 3Å; Y106-S182 PolarHBondContact OH-OG 3.5Å; D178-S182 WeakPolarHBondContact O-CB 3.4Å; D178-S182 PolarHBondContact O-N 3.19Å; D178-S182 PolarHBondContact O-OG 3.19Å; D178-S182 PolarHBondContact OD1-OG 3.48Å; S182-K186 WeakPolarHBondContact O-CA 3.16Å; S182-K186 PolarHBondContact O-N 3.5Å; S182-A187 VanDerWaalsContact CA-O 3.28Å; S182-A187 WeakPolarHBondContact CA-O 3.28Å; S182-A187 VanDerWaalsContact CB-O 3.31Å; S182-A187 WeakPolarHBondContact CB-O 3.48Å; S182-A187 PolarHBondContact O-N 3.48Å; S182-L189 PolarHBondContact OG-N 3.41Å
183S92.3Very high92.4Very high80 Ų8038.5 Ų38.556%0.55920%0.195SC*.Hα-helixtrans-65.2-49.3172179.80000111.9E179 K180 L181 K186E179-S183 WeakPolarHBondContact O-CB 3.26Å; E179-S183 PolarHBondContact O-N 2.94Å; K180-S183 WeakPolarHBondContact O-CB 3.42Å; K180-S183 PolarHBondContact O-N 3.48Å; L181-S183 VanDerWaalsContact C-N 3.31Å; L181-S183 PolarHBondContact O-N 3.11Å; S183-K186 PolarHBondContact O-N 3.45Å
184L92.8Very high91.3Very high12 Ų1249.5 Ų49.56%0.06324%0.237CC..Hα-helixtrans-57.8-50.4176.8-74.9170.5000111.8I66 M77 F79 L90 Y93 K180 L181 K186I66-L184 HydrophobicContact CG2-CD1 4.04Å; M77-L184 HydrophobicContact CE-CD2 3.92Å; M77-L184 HydrophobicContact SD-CD2 3.96Å; F79-L184 HydrophobicContact CE2-CD2 3.8Å; F79-L184 HydrophobicContact CZ-CD2 4.24Å; L90-L184 HydrophobicContact CD2-CD1 3.99Å; L90-L184 HydrophobicContact CD2-CD2 4.25Å; Y93-L184 HydrophobicContact CD2-CB 3.8Å; Y93-L184 HydrophobicContact CE2-CB 4.28Å; Y93-L184 WeakPolarHBondContact CE2-O 3.47Å; Y93-L184 HydrophobicContact CG-CB 4.37Å; K180-L184 WeakPolarHBondContact O-CB 3.24Å; K180-L184 VanDerWaalsContact O-CG 3.3Å; K180-L184 WeakPolarHBondContact O-CG 3.32Å; K180-L184 PolarHBondContact O-N 3.04Å; L181-L184 PolarHBondContact O-N 3.4Å; L184-K186 VanDerWaalsContact C-N 3.26Å; L184-K186 PolarHBondContact O-N 2.67Å
185L92.7Very high89.9Confident14 Ų1450.6 Ų50.67%0.07324%0.244CC..Hα-helixtrans-75.3-13.2-177.4-64.8176.3000113.6Y93 L96 Y103 Y106 L181 A187 I223Y93-L185 HydrophobicContact CD2-CD2 3.74Å; Y93-L185 HydrophobicContact CD2-CG 4.47Å; L96-L185 HydrophobicContact CB-CD2 4.46Å; L96-L185 HydrophobicContact CD2-CD1 3.85Å; L96-L185 HydrophobicContact CD2-CD2 3.54Å; L96-L185 HydrophobicContact CD2-CG 4.36Å; L96-L185 HydrophobicContact CG-CD2 4.25Å; Y103-L185 WeakPolarHBondContact OH-CD2 3.44Å; Y106-L185 HydrophobicContact CD1-CD1 3.92Å; Y106-L185 HydrophobicContact CD2-CD1 4.36Å; Y106-L185 HydrophobicContact CE1-CD1 3.95Å; Y106-L185 HydrophobicContact CE2-CD1 4.36Å; Y106-L185 HydrophobicContact CG-CD1 4.14Å; L181-L185 HydrophobicContact CD1-CD1 3.83Å; L181-L185 HydrophobicContact CD1-CG 3.97Å; L181-L185 HydrophobicContact CD2-CD1 4.43Å; L181-L185 HydrophobicContact CG-CD1 3.76Å; L181-L185 HydrophobicContact CG-CG 4.28Å; L181-L185 WeakPolarHBondContact O-CB 3.16Å; L181-L185 VanDerWaalsContact O-CG 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.01Å; L181-L185 PolarHBondContact O-N 3.1Å; L185-A187 HydrophobicContact CB-CB 4.28Å; L185-A187 PolarHBondContact O-N 2.93Å; L185-I223 HydrophobicContact CD1-CD1 4.28Å
186K91.7Very high88.3Confident188 Ų18854 Ų5482%0.81727%0.266SS*.THydrogen-bonded Turntrans52.333.5-171.1-56.5178.6-179.4177.30112.3S182 S183 L184S182-K186 WeakPolarHBondContact O-CA 3.16Å; S182-K186 PolarHBondContact O-N 3.5Å; S183-K186 PolarHBondContact O-N 3.45Å; L184-K186 VanDerWaalsContact C-N 3.26Å; L184-K186 PolarHBondContact O-N 2.67Å
187A91.4Very high86.7Confident8 Ų857.8 Ų57.87%0.06629%0.289CS..SBendtrans-141.6139.6-177.200000109.3Y103 Y106 S182 L185Y103-A187 HydrophobicContact CD2-CB 4.12Å; Y103-A187 HydrophobicContact CE2-CB 3.83Å; Y106-A187 HydrophobicContact CD1-CB 4.37Å; Y106-A187 VanDerWaalsContact CE1-O 3.29Å; Y106-A187 WeakPolarHBondContact CE1-O 3.26Å; S182-A187 VanDerWaalsContact CA-O 3.28Å; S182-A187 WeakPolarHBondContact CA-O 3.28Å; S182-A187 VanDerWaalsContact CB-O 3.31Å; S182-A187 WeakPolarHBondContact CB-O 3.48Å; S182-A187 PolarHBondContact O-N 3.48Å; L185-A187 HydrophobicContact CB-CB 4.28Å; L185-A187 PolarHBondContact O-N 2.93Å
188P92.1Very high85.2Confident44 Ų4459.7 Ų59.729%0.28630%0.298SS..  trans-76.7149.6-179.930.9-35.3000112.7T104 A105 Y106T104-P188 WeakPolarHBondContact O-CD 3.37Å; A105-P188 WeakPolarHBondContact CA-O 3.27Å; A105-P188 HydrophobicContact CB-CG 4.09Å; A105-P188 WeakPolarHBondContact CB-O 3.23Å; Y106-P188 WeakPolarHBondContact CD1-O 3.03Å; Y106-P188 PolarHBondContact N-O 3.4Å; Y106-P188 VanDerWaalsContact N-O 3.1Å
189L92.1Very high83.7Confident15 Ų1558.8 Ų58.88%0.07929%0.293CS..BIsolated β-bridgetrans-77.6134.6168.4177.559.5000111.3Y106 L108 D178 S182 Y191Y106-L189 HydrophobicContact CD2-CD1 3.97Å; Y106-L189 HydrophobicContact CE1-CB 4.02Å; Y106-L189 HydrophobicContact CE2-CB 4.25Å; Y106-L189 HydrophobicContact CE2-CD1 3.64Å; Y106-L189 HydrophobicContact CE2-CG 4.44Å; Y106-L189 CarbonylContact O-C 3.58Å; Y106-L189 WeakPolarHBondContact O-CA 3.36Å; L108-L189 HydrophobicContact CB-CD1 3.66Å; D178-L189 HydrophobicContact CB-CD2 3.77Å; D178-L189 WeakPolarHBondContact OD1-CB 3.48Å; S182-L189 PolarHBondContact OG-N 3.41Å; L189-Y191 HydrophobicContact CD2-CD1 4.46Å; L189-Y191 HydrophobicContact CD2-CE1 3.83Å; L189-Y191 HydrophobicContact CD2-CE2 3.91Å; L189-Y191 HydrophobicContact CG-CD2 4.4Å; L189-Y191 HydrophobicContact CG-CE2 4.1Å
190I91Very high82.4Confident6 Ų660.4 Ų60.43%0.03130%0.299CS..  trans-109.8116.1172.2-55.9-64.2000109.4A105 Y106 Q107 L193 E198 I202 I220A105-I190 HydrophobicContact CB-CD1 4.44Å; A105-I190 HydrophobicContact CB-CG1 3.85Å; Y106-I190 PolarHBondContact O-N 3.18Å; Q107-I190 HydrophobicContact CG-CB 4.47Å; I190-L193 HydrophobicContact CG2-CD2 4.19Å; I190-E198 HydrophobicContact CD1-CB 4.21Å; I190-E198 HydrophobicContact CG2-CB 4.48Å; I190-I202 HydrophobicContact CD1-CD1 3.67Å; I190-I202 HydrophobicContact CD1-CG1 3.75Å; I190-I202 HydrophobicContact CG1-CD1 3.89Å; I190-I202 HydrophobicContact CG1-CG1 4.39Å; I190-I220 HydrophobicContact CG1-CD1 4.28Å
191Y88.2Confident80.7Confident82 Ų8263.4 Ų63.432%0.32232%0.317SS..SBendtrans-79.6-37.3-177.6-71-89.3000111.6Q33 K174 W175 D178 L189 E198Q33-Y191 PolarHBondContact NE2-OH 3.47Å; K174-Y191 HydrophobicContact CB-CE1 4.36Å; W175-Y191 AromaticContact CD1-CE1 3.72Å; W175-Y191 AromaticContact CD1-CZ 3.97Å; W175-Y191 AromaticContact NE1-CE1 3.96Å; D178-Y191 PolarHBondContact OD2-OH 2.96Å; L189-Y191 HydrophobicContact CD2-CD1 4.46Å; L189-Y191 HydrophobicContact CD2-CE1 3.83Å; L189-Y191 HydrophobicContact CD2-CE2 3.91Å; L189-Y191 HydrophobicContact CG-CD2 4.4Å; L189-Y191 HydrophobicContact CG-CE2 4.1Å; Y191-E198 PolarHBondContact N-OE2 2.75Å
192S84.8Confident78.8Confident43 Ų4364.5 Ų64.530%0.30132%0.322SS..  trans-141.8123.5-178-177.80000112.4R194 N195 E198S192-R194 PolarHBondContact O-N 3.22Å; S192-R194 VanDerWaalsContact O-N 3.16Å; S192-R194 PolarHBondContact OG-N 3.13Å; S192-N195 PolarHBondContact O-N 3.2Å; S192-E198 PolarHBondContact N-OE2 3.27Å
193L81.1Confident76.8Confident41 Ų4166.6 Ų66.622%0.21533%0.329CS..THydrogen-bonded Turntrans-68.7-7.8171-58.9-178.9000113.1Q107 I190 E217 I220 V376Q107-L193 HydrophobicContact CG-CD2 4.31Å; I190-L193 HydrophobicContact CG2-CD2 4.19Å; L193-E217 HydrophobicContact CB-CG 4.32Å; L193-E217 HydrophobicContact CD2-CB 4.27Å; L193-E217 HydrophobicContact CD2-CG 3.96Å; L193-E217 HydrophobicContact CG-CG 4.48Å; L193-I220 HydrophobicContact CD2-CD1 3.74Å; L193-V376 HydrophobicContact CD1-CG1 3.99Å
194R75Confident74.7Confident233 Ų23368 Ų6888%0.87934%0.335SS*.THydrogen-bonded Turntrans-91.1-10.7179.7-58.9-175.3-177.2-1530.2113S192S192-R194 PolarHBondContact O-N 3.22Å; S192-R194 VanDerWaalsContact O-N 3.16Å; S192-R194 PolarHBondContact OG-N 3.13Å
195N67Low72.5Confident66 Ų6673.3 Ų73.335%0.35336%0.363SS..  trans-100.8101.6-171.7-165.311.6000110.4S192 T197 E198 L199S192-N195 PolarHBondContact O-N 3.2Å; N195-T197 PolarHBondContact ND2-OG1 2.93Å; N195-T197 PolarHBondContact O-N 3.02Å; N195-T197 PolarHBondContact OD1-OG1 2.72Å; N195-T197 VanDerWaalsContact OD1-OG1 3.1Å; N195-E198 PolarHBondContact ND2-OE1 2.7Å; N195-E198 PolarHBondContact O-N 2.89Å; N195-E198 VanDerWaalsContact O-N 3.07Å; N195-L199 PolarHBondContact O-N 2.97Å
196D60.7Low70.5Confident110 Ų11076.8 Ų76.859%0.58838%0.379SS*.Hα-helixtrans-56-26.6-177.3-71.4-11.9000113.3K200D196-K200 VanDerWaalsContact O-CB 3.31Å; D196-K200 WeakPolarHBondContact O-CB 3.37Å; D196-K200 WeakPolarHBondContact O-CD 3.32Å; D196-K200 WeakPolarHBondContact O-CG 3.34Å; D196-K200 PolarHBondContact O-N 3.43Å
197T64.1Low68Low83 Ų8373.6 Ų73.651%0.50937%0.37SS..Hα-helixtrans-68.2-38.317956.80000112.5N195 K200 L201N195-T197 PolarHBondContact ND2-OG1 2.93Å; N195-T197 PolarHBondContact O-N 3.02Å; N195-T197 PolarHBondContact OD1-OG1 2.72Å; N195-T197 VanDerWaalsContact OD1-OG1 3.1Å; T197-K200 PolarHBondContact O-N 3.08Å; T197-L201 PolarHBondContact O-N 2.86Å
198E65.5Low65.5Low39 Ų3980.3 Ų80.318%0.18240%0.403CS..Hα-helixtrans-70.5-42.8177.3-73.5172.9-144.800110.6I190 Y191 S192 N195 K200 L201I190-E198 HydrophobicContact CD1-CB 4.21Å; I190-E198 HydrophobicContact CG2-CB 4.48Å; Y191-E198 PolarHBondContact N-OE2 2.75Å; S192-E198 PolarHBondContact N-OE2 3.27Å; N195-E198 PolarHBondContact ND2-OE1 2.7Å; N195-E198 PolarHBondContact O-N 2.89Å; N195-E198 VanDerWaalsContact O-N 3.07Å; E198-K200 PolarHBondContact O-N 3.21Å; E198-L201 WeakPolarHBondContact O-CB 3.22Å; E198-L201 PolarHBondContact O-N 3.32Å; E198-L201 VanDerWaalsContact O-N 3.08Å
199L63Low63.2Low10 Ų1079.8 Ų79.85%0.05240%0.399CS..Hα-helixtrans-63.2-32.9174.6-67.5168.5000111.8N195 L201 I202 E217 I220N195-L199 PolarHBondContact O-N 2.97Å; L199-L201 VanDerWaalsContact C-N 3.3Å; L199-L201 PolarHBondContact O-N 2.79Å; L199-I202 HydrophobicContact CD2-CD1 4.07Å; L199-I202 PolarHBondContact O-N 2.96Å; L199-E217 HydrophobicContact CD1-CG 4.39Å; L199-E217 HydrophobicContact CD2-CG 4Å; L199-I220 HydrophobicContact CD2-CD1 3.83Å
200K61.6Low61Low117 Ų11783.3 Ų83.351%0.50942%0.418SS..Hα-helixtrans-65.1-28.2173.3-79.1169.5-171.1179.80113.6D196 T197 E198 K203D196-K200 VanDerWaalsContact O-CB 3.31Å; D196-K200 WeakPolarHBondContact O-CB 3.37Å; D196-K200 WeakPolarHBondContact O-CD 3.32Å; D196-K200 WeakPolarHBondContact O-CG 3.34Å; D196-K200 PolarHBondContact O-N 3.43Å; T197-K200 PolarHBondContact O-N 3.08Å; E198-K200 PolarHBondContact O-N 3.21Å; K200-K203 HydrophobicContact CB-CD 4.23Å; K200-K203 HydrophobicContact CG-CD 3.97Å; K200-K203 WeakPolarHBondContact O-CB 3.46Å; K200-K203 WeakPolarHBondContact O-CG 3.34Å; K200-K203 PolarHBondContact O-N 2.74Å
201L57.8Low59.3Low121 Ų12183.3 Ų83.363%0.63442%0.418SS*.Hα-helixtrans-70.7-31.2176.2-74.2159.4000112.2T197 E198 L199 K203 T204T197-L201 PolarHBondContact O-N 2.86Å; E198-L201 WeakPolarHBondContact O-CB 3.22Å; E198-L201 PolarHBondContact O-N 3.32Å; E198-L201 VanDerWaalsContact O-N 3.08Å; L199-L201 VanDerWaalsContact C-N 3.3Å; L199-L201 PolarHBondContact O-N 2.79Å; L201-K203 PolarHBondContact O-N 3.42Å; L201-T204 PolarHBondContact O-N 3.33Å; L201-T204 PolarHBondContact O-OG1 2.84Å; L201-T204 VanDerWaalsContact O-OG1 3.08Å
202I55.8Low58.1Low22 Ų2283 Ų8311%0.11343%0.428CS..Hα-helixtrans-62.1-28.2172.9-52.1171.9000110.7T104 A105 I190 L199 T204 N205 I220T104-I202 WeakPolarHBondContact OG1-CG2 3.38Å; A105-I202 HydrophobicContact CB-CD1 3.78Å; A105-I202 HydrophobicContact CB-CG1 3.96Å; I190-I202 HydrophobicContact CD1-CD1 3.67Å; I190-I202 HydrophobicContact CD1-CG1 3.75Å; I190-I202 HydrophobicContact CG1-CD1 3.89Å; I190-I202 HydrophobicContact CG1-CG1 4.39Å; L199-I202 HydrophobicContact CD2-CD1 4.07Å; L199-I202 PolarHBondContact O-N 2.96Å; I202-T204 PolarHBondContact O-N 3.5Å; I202-T204 VanDerWaalsContact O-N 3.1Å; I202-N205 PolarHBondContact O-N 2.98Å; I202-I220 HydrophobicContact CD1-CD1 3.75Å; I202-I220 HydrophobicContact CD1-CG1 4.12Å
203K51.5Low57.6Low65 Ų6582 Ų8228%0.28342%0.419SS..THydrogen-bonded Turntrans-63.9-15.4-175.8-56.8-178.6-177.4-1650114.6K200 L201 N210K200-K203 HydrophobicContact CB-CD 4.23Å; K200-K203 HydrophobicContact CG-CD 3.97Å; K200-K203 WeakPolarHBondContact O-CB 3.46Å; K200-K203 WeakPolarHBondContact O-CG 3.34Å; K200-K203 PolarHBondContact O-N 2.74Å; L201-K203 PolarHBondContact O-N 3.42Å; K203-N210 PolarHBondContact NZ-OD1 3.19Å
204T48.1Very low57.4Low110 Ų11081.5 Ų81.568%0.67542%0.415SS*.THydrogen-bonded Turntrans-80-24.6179.956.40000113.3L201 I202L201-T204 PolarHBondContact O-N 3.33Å; L201-T204 PolarHBondContact O-OG1 2.84Å; L201-T204 VanDerWaalsContact O-OG1 3.08Å; I202-T204 PolarHBondContact O-N 3.5Å; I202-T204 VanDerWaalsContact O-N 3.1Å
205N47.7Very low57.7Low122 Ų12271.7 Ų71.765%0.65238%0.38SS*.THydrogen-bonded Turntrans-98.7-23.1-172-710.3000114I202I202-N205 PolarHBondContact O-N 2.98Å
206E49.4Very low58.2Low87 Ų8771.4 Ų71.441%0.40738%0.376SS..SBendtrans-131.3100.3164.5-72.1-169.4166.400109.2T104T104-E206 HydrophobicContact CG2-CG 4.12Å; T104-E206 WeakPolarHBondContact CG2-OE2 3.34Å
207L40.8Very low59.4Low121 Ų12168.3 Ų68.363%0.63436%0.358SS*.  trans25.6107.2152.3-70.1151.3000117.1V209 V473L207-V209 PolarHBondContact O-N 3.03Å; L207-V473 HydrophobicContact CB-CG2 3.71Å; L207-V473 HydrophobicContact CD1-CG2 4.49Å
208I37.4Very low60.5Low149 Ų14964.4 Ų64.476%0.76433%0.334SS*.  trans-20.7100.4159.8-54.8167.4000112.8
209V44.1Very low61.6Low34 Ų3463.4 Ų63.421%0.20633%0.33CS..  trans-149.6120.1143.3-155.70000108.8L207 N211 Q216 V473L207-V209 PolarHBondContact O-N 3.03Å; V209-N211 HydrophobicContact CB-CB 4.01Å; V209-N211 HydrophobicContact CG1-CB 3.63Å; V209-N211 PolarHBondContact O-N 3.11Å; V209-Q216 PolarHBondContact O-NE2 3.07Å; V209-V473 HydrophobicContact CG2-CB 3.97Å; V209-V473 HydrophobicContact CG2-CG1 4.33Å; V209-V473 HydrophobicContact CG2-CG2 3.8Å
210N45.9Very low63Low88 Ų8863 Ų6347%0.47133%0.328SS..  trans-72.965.6157.2-67.4-30.3000107.8K203 S212K203-N210 PolarHBondContact NZ-OD1 3.19Å; N210-S212 PolarHBondContact O-N 3.5Å; N210-S212 VanDerWaalsContact O-N 3.08Å
211N55.5Low64.6Low7 Ų757.4 Ų57.44%0.03730%0.304CS..  trans-78.3102.7-179.9-152.4-30.9000107.9V209 N213 Y214 A472V209-N211 HydrophobicContact CB-CB 4.01Å; V209-N211 HydrophobicContact CG1-CB 3.63Å; V209-N211 PolarHBondContact O-N 3.11Å; N211-N213 PolarHBondContact O-N 3.29Å; N211-N213 WeakPolarHBondContact OD1-CB 3.42Å; N211-N213 PolarHBondContact OD1-ND2 2.84Å; N211-Y214 HydrophobicContact CB-CE1 4.41Å; N211-A472 PolarHBondContact ND2-O 3.44Å
212S64.2Low66.5Low75 Ų7551.6 Ų51.652%0.52427%0.274SS..THydrogen-bonded Turntrans-64.3-9.7-177.776.30000113.5N210 Y214 E477N210-S212 PolarHBondContact O-N 3.5Å; N210-S212 VanDerWaalsContact O-N 3.08Å; S212-Y214 VanDerWaalsContact C-N 3.3Å; S212-Y214 PolarHBondContact O-N 3.17Å; S212-E477 PolarHBondContact OG-O 3.04Å
213N72.5Confident68.4Low22 Ų2250.6 Ų50.612%0.11827%0.268CS..THydrogen-bonded Turntrans-68.6-19-178.7-74-48.3000114.2N211 E479 L481 L505 V506 S507N211-N213 PolarHBondContact O-N 3.29Å; N211-N213 WeakPolarHBondContact OD1-CB 3.42Å; N211-N213 PolarHBondContact OD1-ND2 2.84Å; N213-E479 PolarHBondContact ND2-O 3Å; N213-L481 HydrophobicContact CB-CD1 3.57Å; N213-L481 HydrophobicContact CB-CG 3.92Å; N213-L505 CarbonylContact O-C 3.56Å; N213-V506 CarbonylContact O-C 3.52Å; N213-V506 WeakPolarHBondContact O-CA 3.35Å; N213-V506 PolarHBondContact O-N 2.89Å; N213-S507 PolarHBondContact O-N 2.98Å
214Y77.3Confident70.6Confident30 Ų3049 Ų4912%0.11826%0.264CS..SBendtrans-152.7161173.768-84.3000112.8N211 S212 Q216 S218 P458 I462 L481 L505N211-Y214 HydrophobicContact CB-CE1 4.41Å; S212-Y214 VanDerWaalsContact C-N 3.3Å; S212-Y214 PolarHBondContact O-N 3.17Å; Y214-Q216 PolarHBondContact O-N 3.02Å; Y214-S218 WeakPolarHBondContact CD2-OG 3.23Å; Y214-P458 HydrophobicContact CD2-CB 4.07Å; Y214-P458 HydrophobicContact CD2-CG 4.24Å; Y214-P458 HydrophobicContact CE2-CB 3.65Å; Y214-P458 HydrophobicContact CE2-CG 3.91Å; Y214-I462 HydrophobicContact CE1-CD1 4.32Å; Y214-L481 HydrophobicContact CD1-CD1 3.62Å; Y214-L481 HydrophobicContact CE1-CD1 3.84Å; Y214-L505 VanDerWaalsContact CB-CD2 3.49Å; Y214-L505 HydrophobicContact CD1-CD2 3.43Å; Y214-L505 VanDerWaalsContact CD1-CD2 3.43Å; Y214-L505 HydrophobicContact CD1-CG 4.43Å; Y214-L505 HydrophobicContact CD2-CD2 4.17Å; Y214-L505 HydrophobicContact CE1-CD2 4.14Å; Y214-L505 HydrophobicContact CG-CD2 3.44Å; Y214-L505 VanDerWaalsContact CG-CD2 3.44Å; Y214-L505 HydrophobicContact CG-CG 4.25Å
215D82Confident73Confident28 Ų2843.7 Ų43.715%0.1523%0.232CC..  trans-72.9121.3-177-58.8-36000109.7E217 S218 S507 S508D215-E217 PolarHBondContact O-N 2.86Å; D215-S218 WeakPolarHBondContact O-CB 3.49Å; D215-S218 PolarHBondContact O-N 3.36Å; D215-S218 PolarHBondContact O-OG 2.77Å; D215-S507 WeakPolarHBondContact OD1-CB 3.27Å; D215-S508 PolarHBondContact OD1-N 2.87Å; D215-S508 PolarHBondContact OD1-OG 2.8Å; D215-S508 WeakPolarHBondContact OD2-CB 3.33Å; D215-S508 PolarHBondContact OD2-N 2.96Å; D215-S508 PolarHBondContact OD2-OG 2.83Å
216Q78Confident75.3Confident60 Ų6041.2 Ų41.228%0.2822%0.216SC..G310 helixtrans-62.6-26.5-177.4-67-175.8-2300112.1V209 Y214 S218 N219V209-Q216 PolarHBondContact O-NE2 3.07Å; Y214-Q216 PolarHBondContact O-N 3.02Å; Q216-S218 PolarHBondContact O-N 2.87Å; Q216-S218 VanDerWaalsContact O-N 3.1Å; Q216-N219 PolarHBondContact O-N 2.86Å
217E85.8Confident77.6Confident44 Ų4437.3 Ų37.321%0.20620%0.198CC..G310 helixtrans-62.5-14.8175.4-56.689.4157.800112.7L193 L199 D215 N219 I220 V376L193-E217 HydrophobicContact CB-CG 4.32Å; L193-E217 HydrophobicContact CD2-CB 4.27Å; L193-E217 HydrophobicContact CD2-CG 3.96Å; L193-E217 HydrophobicContact CG-CG 4.48Å; L199-E217 HydrophobicContact CD1-CG 4.39Å; L199-E217 HydrophobicContact CD2-CG 4Å; D215-E217 PolarHBondContact O-N 2.86Å; E217-N219 PolarHBondContact O-N 3.35Å; E217-I220 HydrophobicContact CB-CD1 4.27Å; E217-I220 WeakPolarHBondContact O-CB 3.33Å; E217-I220 WeakPolarHBondContact O-CG1 3.42Å; E217-I220 PolarHBondContact O-N 3.14Å; E217-V376 HydrophobicContact CB-CB 4.41Å; E217-V376 HydrophobicContact CB-CG1 3.76Å; E217-V376 HydrophobicContact CB-CG2 3.72Å
218S86.6Confident80.1Confident1 Ų131.6 Ų31.61%0.00717%0.168CC..G310 helixtrans-63.5-17.5176.465.10000113.2Y214 D215 Q216 I220 R374 V376 Y454 P458Y214-S218 WeakPolarHBondContact CD2-OG 3.23Å; D215-S218 WeakPolarHBondContact O-CB 3.49Å; D215-S218 PolarHBondContact O-N 3.36Å; D215-S218 PolarHBondContact O-OG 2.77Å; Q216-S218 PolarHBondContact O-N 2.87Å; Q216-S218 VanDerWaalsContact O-N 3.1Å; S218-I220 VanDerWaalsContact C-N 3.28Å; S218-R374 PolarHBondContact O-NH1 3.47Å; S218-V376 VanDerWaalsContact N-CG2 3.29Å; S218-Y454 VanDerWaalsContact CA-OH 3.3Å; S218-Y454 WeakPolarHBondContact CA-OH 3.12Å; S218-Y454 WeakPolarHBondContact CB-OH 3.32Å; S218-Y454 PolarHBondContact O-OH 2.97Å; S218-P458 VanDerWaalsContact OG-CG 3.26Å; S218-P458 WeakPolarHBondContact OG-CG 3.47Å
219N89.3Confident82.6Confident19 Ų1924.6 Ų24.610%0.10213%0.132CC..G310 helixtrans-81.6-8.7173.9-62.7-10.8000113.1Y103 T104 Q216 E217 R374 L457 P458Y103-N219 WeakPolarHBondContact CA-O 3.21Å; T104-N219 HydrophobicContact CG2-CB 4.39Å; T104-N219 PolarHBondContact N-O 3.21Å; T104-N219 WeakPolarHBondContact OG1-CB 3.47Å; Q216-N219 PolarHBondContact O-N 2.86Å; E217-N219 PolarHBondContact O-N 3.35Å; N219-R374 PolarHBondContact O-NH1 3.44Å; N219-L457 HydrophobicContact CB-CD2 4.01Å; N219-P458 WeakPolarHBondContact OD1-CD 3.27Å; N219-P458 WeakPolarHBondContact OD1-CG 3.37Å
220I92.6Very high84.7Confident0 Ų025.8 Ų25.80%014%0.135CC..EExtended strand (participates in β ladder)trans-99.8131-169.3-49.2176.6000110.4A105 Q107 I190 L193 L199 I202 E217 S218 S375A105-I220 HydrophobicContact CB-CG1 4.33Å; A105-I220 HydrophobicContact CB-CG2 4.49Å; A105-I220 WeakPolarHBondContact O-CA 3.39Å; Q107-I220 HydrophobicContact CG-CG2 3.75Å; I190-I220 HydrophobicContact CG1-CD1 4.28Å; L193-I220 HydrophobicContact CD2-CD1 3.74Å; L199-I220 HydrophobicContact CD2-CD1 3.83Å; I202-I220 HydrophobicContact CD1-CD1 3.75Å; I202-I220 HydrophobicContact CD1-CG1 4.12Å; E217-I220 HydrophobicContact CB-CD1 4.27Å; E217-I220 WeakPolarHBondContact O-CB 3.33Å; E217-I220 WeakPolarHBondContact O-CG1 3.42Å; E217-I220 PolarHBondContact O-N 3.14Å; S218-I220 VanDerWaalsContact C-N 3.28Å; I220-S375 WeakPolarHBondContact CG2-OG 3.28Å; I220-S375 VanDerWaalsContact O-CB 3.3Å; I220-S375 WeakPolarHBondContact O-CB 3.34Å; I220-S375 PolarHBondContact O-N 2.82Å; I220-S375 PolarHBondContact O-OG 3.11Å
221I95.3Very high86.7Confident0 Ų024.3 Ų24.30%012%0.124CC..EExtended strand (participates in β ladder)trans-93.8154.3169.953.7163.2000111L96 Y101 Y103 A105 Y106 Q107 V373 S375L96-I221 HydrophobicContact CD1-CD1 3.31Å; L96-I221 HydrophobicContact CD2-CD1 3.33Å; L96-I221 HydrophobicContact CG-CD1 3.93Å; Y101-I221 HydrophobicContact CG-CG2 4.35Å; Y103-I221 HydrophobicContact CD1-CD1 3.56Å; Y103-I221 HydrophobicContact CD1-CG1 4.15Å; Y103-I221 HydrophobicContact CD1-CG2 4.25Å; Y103-I221 HydrophobicContact CD2-CD1 3.66Å; Y103-I221 HydrophobicContact CD2-CG1 3.9Å; Y103-I221 HydrophobicContact CE1-CD1 3.82Å; Y103-I221 HydrophobicContact CE2-CD1 3.9Å; Y103-I221 HydrophobicContact CG-CD1 3.49Å; Y103-I221 VanDerWaalsContact CG-CD1 3.49Å; Y103-I221 HydrophobicContact CG-CG1 3.67Å; Y103-I221 HydrophobicContact CG-CG2 4.17Å; A105-I221 PolarHBondContact O-N 3.41Å; Y106-I221 CarbonylContact C-O 3.57Å; Y106-I221 VanDerWaalsContact CA-O 3.26Å; Y106-I221 WeakPolarHBondContact CA-O 3.28Å; Q107-I221 PolarHBondContact N-O 2.87Å; I221-V373 CarbonylContact C-O 3.6Å; I221-V373 WeakPolarHBondContact CA-O 3.41Å; I221-S375 PolarHBondContact O-OG 2.84Å
222C95.9Very high88.3Confident0 Ų024.1 Ų24.10%012%0.123CC..EExtended strand (participates in β ladder)trans-118.4118.5175.8178.50000109.1Q107 R109 V373 S375Q107-C222 HydrophobicContact CB-CB 4.31Å; R109-C222 WeakPolarHBondContact CD-SG 3.45Å; R109-C222 VanDerWaalsContact CG-SG 3.56Å; R109-C222 PolarHBondContact NE-SG 3.19Å; R109-C222 VanDerWaalsContact NE-SG 3.36Å; C222-V373 HydrophobicContact CB-CG2 4.14Å; C222-V373 PolarHBondContact N-O 3.07Å; C222-V373 PolarHBondContact O-N 2.06Å; C222-V373 VanDerWaalsContact O-N 3.11Å; C222-S375 PolarHBondContact N-OG 2.76Å
223I97.6Very high89.3Confident1 Ų123 Ų231%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-94.3114.4172-50.9175000107.1L92 L96 Y106 Q107 L108 R109 L185 V225 L370L92-I223 HydrophobicContact CD2-CG2 4.12Å; L96-I223 HydrophobicContact CD2-CD1 3.74Å; L96-I223 HydrophobicContact CD2-CG1 4.36Å; Y106-I223 HydrophobicContact CD2-CD1 3.84Å; Y106-I223 HydrophobicContact CD2-CG1 4.48Å; Y106-I223 HydrophobicContact CE2-CD1 4.46Å; Y106-I223 HydrophobicContact CG-CD1 4.43Å; Q107-I223 PolarHBondContact O-N 3.24Å; L108-I223 WeakPolarHBondContact CA-O 3.14Å; L108-I223 HydrophobicContact CD1-CB 4.03Å; L108-I223 HydrophobicContact CD1-CG2 4.13Å; R109-I223 PolarHBondContact N-O 3.34Å; L185-I223 HydrophobicContact CD1-CD1 4.28Å; I223-V225 HydrophobicContact CG2-CG2 3.97Å; I223-L370 HydrophobicContact CG2-CD1 3.62Å
224T97.7Very high89.9Confident30 Ų3024.2 Ų24.218%0.18412%0.12CC..EExtended strand (participates in β ladder)trans-104.5119175.8-54.60000109.5R109 L370 E371R109-T224 HydrophobicContact CB-CG2 4.08Å; R109-T224 CarbonylContact O-C 3.52Å; R109-T224 VanDerWaalsContact O-CA 3.3Å; R109-T224 WeakPolarHBondContact O-CA 3.43Å; T224-L370 WeakPolarHBondContact O-CA 3.42Å; T224-E371 PolarHBondContact N-O 2.82Å; T224-E371 PolarHBondContact O-N 3.31Å
225V97.5Very high90.5Very high0 Ų022.8 Ų22.80%011%0.114CC..EExtended strand (participates in β ladder)trans-116.8125.7-178.3-171.20000109.2L92 L108 R109 V110 T111 I223 F227 I367 L370L92-V225 HydrophobicContact CD1-CG2 4.04Å; L92-V225 HydrophobicContact CD2-CG2 3.69Å; L108-V225 HydrophobicContact CD1-CG2 4.05Å; R109-V225 PolarHBondContact O-N 3.26Å; V110-V225 WeakPolarHBondContact CA-O 3.13Å; T111-V225 PolarHBondContact N-O 2.73Å; I223-V225 HydrophobicContact CG2-CG2 3.97Å; V225-F227 HydrophobicContact CB-CE2 4.39Å; V225-F227 HydrophobicContact CG1-CD2 4.16Å; V225-F227 HydrophobicContact CG1-CE1 4.45Å; V225-F227 HydrophobicContact CG1-CE2 3.66Å; V225-F227 HydrophobicContact CG1-CZ 3.83Å; V225-I367 HydrophobicContact CG1-CD1 4.24Å; V225-I367 HydrophobicContact CG1-CG1 4.21Å; V225-I367 HydrophobicContact CG1-CG2 3.74Å; V225-L370 HydrophobicContact CG2-CD1 4.12Å
226E96.2Very high90.7Very high70 Ų7022.2 Ų22.233%0.32711%0.11SC..EExtended strand (participates in β ladder)trans-111.9120.2173.7-173.2171.7-175.700111.3T111 I367 I368 S369T111-E226 HydrophobicContact CG2-CG 3.84Å; E226-I367 CarbonylContact O-C 3.47Å; E226-I367 WeakPolarHBondContact O-CA 3.49Å; E226-I368 HydrophobicContact CB-CG1 4.05Å; E226-I368 HydrophobicContact CG-CD1 3.9Å; E226-I368 HydrophobicContact CG-CG1 3.79Å; E226-I368 WeakPolarHBondContact O-CG1 3.42Å; E226-I368 PolarHBondContact O-N 3Å; E226-S369 PolarHBondContact N-O 3.13Å
227F96.3Very high91.2Very high4 Ų423.3 Ų23.32%0.01812%0.118CC..EExtended strand (participates in β ladder)trans-98.6144.9175.4-67.4-81.4000111.6L57 L63 V88 V110 T111 E112 P113 W173 V225 A365 F366 I367L57-F227 HydrophobicContact CD2-CD1 3.62Å; L57-F227 HydrophobicContact CD2-CD2 4.16Å; L57-F227 HydrophobicContact CD2-CE1 3.58Å; L57-F227 HydrophobicContact CD2-CE2 4.13Å; L57-F227 HydrophobicContact CD2-CG 3.91Å; L57-F227 HydrophobicContact CD2-CZ 3.84Å; L63-F227 HydrophobicContact CD2-CE1 4.09Å; V88-F227 HydrophobicContact CG1-CE1 4.43Å; V88-F227 HydrophobicContact CG1-CZ 4.21Å; V88-F227 HydrophobicContact CG2-CE1 4.43Å; V110-F227 HydrophobicContact CG1-CD2 3.91Å; V110-F227 HydrophobicContact CG1-CE2 3.82Å; T111-F227 WeakPolarHBondContact O-CB 3.47Å; T111-F227 PolarHBondContact O-N 3.4Å; E112-F227 CarbonylContact C-O 3.57Å; P113-F227 HydrophobicContact CG-CB 4.01Å; W173-F227 HydrophobicContact CD2-CE2 4.31Å; W173-F227 HydrophobicContact CD2-CZ 4.48Å; W173-F227 AromaticContact CE2-CZ 3.79Å; W173-F227 HydrophobicContact CH2-CE2 4.4Å; W173-F227 HydrophobicContact CH2-CZ 4.25Å; W173-F227 HydrophobicContact CZ2-CE2 4.16Å; W173-F227 AromaticContact CZ2-CZ 3.7Å; W173-F227 HydrophobicContact CZ2-CZ 3.7Å; W173-F227 AromaticContact NE1-CZ 3.99Å; V225-F227 HydrophobicContact CB-CE2 4.39Å; V225-F227 HydrophobicContact CG1-CD2 4.16Å; V225-F227 HydrophobicContact CG1-CE1 4.45Å; V225-F227 HydrophobicContact CG1-CE2 3.66Å; V225-F227 HydrophobicContact CG1-CZ 3.83Å; F227-A365 HydrophobicContact CD1-CB 4.5Å; F227-F366 CarbonylContact C-O 3.51Å; F227-F366 VanDerWaalsContact CA-O 3.27Å; F227-F366 WeakPolarHBondContact CA-O 3.26Å; F227-I367 HydrophobicContact CD1-CG1 4.12Å; F227-I367 HydrophobicContact CE1-CG1 3.71Å; F227-I367 HydrophobicContact CZ-CG1 4.38Å
228A93.2Very high91.3Very high2 Ų223.5 Ų23.52%0.01712%0.119CC..EExtended strand (participates in β ladder)trans-132.1179.117100000111.1I232 A365 F366 I368A228-I232 HydrophobicContact CB-CD1 4.13Å; A228-A365 CarbonylContact O-C 3.4Å; A228-A365 VanDerWaalsContact O-CA 3.26Å; A228-A365 WeakPolarHBondContact O-CA 3.32Å; A228-F366 HydrophobicContact CB-CD2 4.4Å; A228-F366 HydrophobicContact CB-CE2 3.83Å; A228-F366 HydrophobicContact CB-CZ 4.03Å; A228-F366 PolarHBondContact N-O 3.18Å; A228-F366 PolarHBondContact O-N 2.89Å; A228-I368 HydrophobicContact CB-CD1 4.12Å; A228-I368 HydrophobicContact CB-CG1 4.38Å; A228-I368 HydrophobicContact CB-CG2 3.58Å
229N91.7Very high91.4Very high2 Ų223.5 Ų23.51%0.01112%0.119CC..  trans-150.5155.5176.8176.4-100.1000110.1F55 P113 N115 F231 I232 S363 P364F55-N229 HydrophobicContact CD1-CB 4.35Å; F55-N229 VanDerWaalsContact CD1-CG 3.48Å; F55-N229 WeakPolarHBondContact CD1-ND2 3.23Å; F55-N229 HydrophobicContact CD2-CB 4.4Å; F55-N229 HydrophobicContact CE1-CB 4.45Å; F55-N229 VanDerWaalsContact CE1-OD1 3.24Å; F55-N229 WeakPolarHBondContact CE1-OD1 3.29Å; F55-N229 HydrophobicContact CG-CB 4.31Å; P113-N229 HydrophobicContact CB-CB 4.04Å; P113-N229 HydrophobicContact CG-CB 4.29Å; N115-N229 PolarHBondContact ND2-OD1 3.02Å; N229-F231 VanDerWaalsContact C-N 3.33Å; N229-F231 PolarHBondContact O-N 2.82Å; N229-F231 WeakPolarHBondContact OD1-CB 3.25Å; N229-F231 PolarHBondContact OD1-N 3.43Å; N229-I232 HydrophobicContact CB-CG1 4.3Å; N229-I232 VanDerWaalsContact O-CD1 3.26Å; N229-I232 WeakPolarHBondContact O-CD1 3.44Å; N229-I232 WeakPolarHBondContact O-CG1 3.47Å; N229-S363 PolarHBondContact ND2-O 2.72Å; N229-S363 VanDerWaalsContact ND2-O 3.13Å; N229-S363 PolarHBondContact ND2-OG 2.85Å; N229-S363 VanDerWaalsContact ND2-OG 3.13Å; N229-P364 PolarHBondContact ND2-O 3Å
230F86.9Confident91.3Very high58 Ų5824 Ų2425%0.25412%0.121SC..THydrogen-bonded Turntrans-68.8-29.8-177.9-61-51.5000114I232 F314 S363 F366F230-I232 VanDerWaalsContact C-N 3.27Å; F230-I232 PolarHBondContact O-N 3.13Å; F230-F314 HydrophobicContact CD1-CE2 4.38Å; F230-F314 AromaticContact CD1-CZ 3.96Å; F230-F314 HydrophobicContact CD1-CZ 3.96Å; F230-F314 HydrophobicContact CE1-CD2 4.46Å; F230-F314 HydrophobicContact CE1-CE1 4.19Å; F230-F314 AromaticContact CE1-CE2 3.18Å; F230-F314 HydrophobicContact CE1-CE2 3.18Å; F230-F314 AromaticContact CE1-CZ 2.99Å; F230-F314 HydrophobicContact CE1-CZ 2.99Å; F230-F314 HydrophobicContact CE2-CZ 4.33Å; F230-F314 AromaticContact CZ-CE2 3.39Å; F230-F314 HydrophobicContact CZ-CE2 3.39Å; F230-F314 AromaticContact CZ-CZ 3.23Å; F230-F314 HydrophobicContact CZ-CZ 3.23Å; F230-S363 WeakPolarHBondContact CD2-OG 3.31Å; F230-F366 AromaticContact CD1-CE1 3.6Å; F230-F366 HydrophobicContact CD1-CE1 3.6Å; F230-F366 AromaticContact CD1-CZ 3.83Å; F230-F366 HydrophobicContact CD1-CZ 3.83Å; F230-F366 HydrophobicContact CD2-CE1 4.04Å; F230-F366 AromaticContact CE1-CD1 3.99Å; F230-F366 HydrophobicContact CE1-CD1 3.99Å; F230-F366 AromaticContact CE1-CE1 3.11Å; F230-F366 HydrophobicContact CE1-CE1 3.11Å; F230-F366 HydrophobicContact CE1-CE2 4.31Å; F230-F366 AromaticContact CE1-CZ 3.3Å; F230-F366 HydrophobicContact CE1-CZ 3.3Å; F230-F366 AromaticContact CE2-CD1 3.95Å; F230-F366 HydrophobicContact CE2-CD1 3.95Å; F230-F366 AromaticContact CE2-CE1 3.68Å; F230-F366 HydrophobicContact CE2-CE1 3.68Å; F230-F366 AromaticContact CG-CE1 3.98Å; F230-F366 HydrophobicContact CG-CE1 3.98Å; F230-F366 AromaticContact CZ-CD1 3.56Å; F230-F366 HydrophobicContact CZ-CD1 3.56Å; F230-F366 AromaticContact CZ-CE1 3.16Å; F230-F366 HydrophobicContact CZ-CE1 3.16Å; F230-F366 HydrophobicContact CZ-CG 4.48Å; F230-F366 AromaticContact CZ-CZ 3.79Å; F230-F366 HydrophobicContact CZ-CZ 3.79Å
231F88.6Confident91.1Very high57 Ų5725.4 Ų25.425%0.2513%0.131CC..THydrogen-bonded Turntrans-87.69.6-172.8-61.9-67.2000113.6N229 Q233 S234 D235 N361 S363N229-F231 VanDerWaalsContact C-N 3.33Å; N229-F231 PolarHBondContact O-N 2.82Å; N229-F231 WeakPolarHBondContact OD1-CB 3.25Å; N229-F231 PolarHBondContact OD1-N 3.43Å; F231-Q233 VanDerWaalsContact C-N 3.31Å; F231-Q233 PolarHBondContact O-N 2.96Å; F231-S234 VanDerWaalsContact CA-OG 3.32Å; F231-S234 WeakPolarHBondContact CA-OG 3.03Å; F231-S234 WeakPolarHBondContact CB-OG 3.5Å; F231-S234 PolarHBondContact O-N 2.83Å; F231-S234 PolarHBondContact O-OG 3.48Å; F231-D235 VanDerWaalsContact O-CB 3.25Å; F231-D235 WeakPolarHBondContact O-CB 3.34Å; F231-D235 PolarHBondContact O-N 3.21Å; F231-N361 WeakPolarHBondContact CE2-O 3.38Å; F231-N361 WeakPolarHBondContact CZ-O 3.47Å; F231-S363 WeakPolarHBondContact CD2-OG 3.25Å; F231-S363 WeakPolarHBondContact CE2-OG 3.44Å
232I88.2Confident90.7Very high4 Ų425.9 Ų25.92%0.02113%0.133CC..Hα-helixtrans-59.3-44.8-176.5-60.4165.6000111I114 N115 A228 N229 F230 Y236 L326 F330I114-I232 HydrophobicContact CG2-CD1 4.45Å; I114-I232 HydrophobicContact CG2-CG1 4.44Å; I114-I232 HydrophobicContact CG2-CG2 3.3Å; N115-I232 HydrophobicContact CB-CB 4.36Å; N115-I232 HydrophobicContact CB-CG1 4.13Å; N115-I232 HydrophobicContact CB-CG2 4.28Å; N115-I232 WeakPolarHBondContact OD1-CG1 3.46Å; A228-I232 HydrophobicContact CB-CD1 4.13Å; N229-I232 HydrophobicContact CB-CG1 4.3Å; N229-I232 VanDerWaalsContact O-CD1 3.26Å; N229-I232 WeakPolarHBondContact O-CD1 3.44Å; N229-I232 WeakPolarHBondContact O-CG1 3.47Å; F230-I232 VanDerWaalsContact C-N 3.27Å; F230-I232 PolarHBondContact O-N 3.13Å; I232-Y236 WeakPolarHBondContact O-CB 3.35Å; I232-Y236 PolarHBondContact O-N 2.82Å; I232-Y236 VanDerWaalsContact O-N 3.1Å; I232-L326 HydrophobicContact CD1-CD2 3.82Å; I232-F330 HydrophobicContact CB-CE2 4.16Å; I232-F330 HydrophobicContact CB-CZ 4.44Å; I232-F330 HydrophobicContact CG2-CD2 4.48Å; I232-F330 HydrophobicContact CG2-CE1 4.4Å; I232-F330 HydrophobicContact CG2-CE2 3.27Å; I232-F330 HydrophobicContact CG2-CZ 3.2Å
233Q85.3Confident90.2Very high51 Ų5125.9 Ų25.924%0.23813%0.133CC..Hα-helixtrans-69.9-40.2-179.8-173.964.251.500112.3F231 Y236 N237F231-Q233 VanDerWaalsContact C-N 3.31Å; F231-Q233 PolarHBondContact O-N 2.96Å; Q233-Y236 PolarHBondContact O-N 3.26Å; Q233-N237 PolarHBondContact NE2-OD1 2.88Å; Q233-N237 WeakPolarHBondContact O-CB 3.48Å; Q233-N237 PolarHBondContact O-N 2.7Å; Q233-N237 PolarHBondContact O-ND2 3Å; Q233-N237 PolarHBondContact O-OD1 3.36Å
234S86.8Confident89.7Confident48 Ų4830.5 Ų30.534%0.33615%0.154SC..Hα-helixtrans-67.6-44.7179.155.30000111.6F231 Y236 N237 E238F231-S234 VanDerWaalsContact CA-OG 3.32Å; F231-S234 WeakPolarHBondContact CA-OG 3.03Å; F231-S234 WeakPolarHBondContact CB-OG 3.5Å; F231-S234 PolarHBondContact O-N 2.83Å; F231-S234 PolarHBondContact O-OG 3.48Å; S234-Y236 VanDerWaalsContact C-N 3.26Å; S234-Y236 PolarHBondContact O-N 3.41Å; S234-N237 PolarHBondContact O-N 3.05Å; S234-E238 WeakPolarHBondContact O-CB 3.46Å; S234-E238 PolarHBondContact O-N 3.1Å
235D89.6Confident89Confident0 Ų037.8 Ų37.80%018%0.179CC..Hα-helixtrans-60.3-39.6176.7-68.2-12.8000110.5N115 L118 R119 F231 F239 Y353N115-D235 HydrophobicContact CB-CB 3.96Å; N115-D235 VanDerWaalsContact CB-OD2 3.31Å; N115-D235 WeakPolarHBondContact CB-OD2 3.42Å; N115-D235 PolarHBondContact ND2-OD2 2.8Å; L118-D235 HydrophobicContact CD1-CB 4.16Å; R119-D235 IonicContact CZ-OD1 2.85Å; R119-D235 IonicContact CZ-OD2 2.89Å; R119-D235 IonicContact NE-OD1 3.53Å; R119-D235 PolarHBondContact NE-OD1 3.45Å; R119-D235 IonicContact NE-OD2 3.66Å; R119-D235 PolarHBondContact NE-OD2 3.01Å; R119-D235 IonicContact NH2-OD1 2.73Å; R119-D235 PolarHBondContact NH2-OD1 3.19Å; R119-D235 IonicContact NH2-OD2 2.77Å; R119-D235 PolarHBondContact NH2-OD2 2.75Å; F231-D235 VanDerWaalsContact O-CB 3.25Å; F231-D235 WeakPolarHBondContact O-CB 3.34Å; F231-D235 PolarHBondContact O-N 3.21Å; D235-F239 VanDerWaalsContact O-CB 3.26Å; D235-F239 WeakPolarHBondContact O-CB 3.36Å; D235-F239 PolarHBondContact O-N 3.49Å; D235-Y353 HydrophobicContact CB-CE1 4.5Å; D235-Y353 VanDerWaalsContact OD1-CE1 3.3Å; D235-Y353 WeakPolarHBondContact OD1-CE1 3.2Å; D235-Y353 VanDerWaalsContact OD1-CZ 3.32Å; D235-Y353 PolarHBondContact OD1-OH 3Å
236Y86.5Confident88.3Confident15 Ų1538 Ų386%0.05918%0.18CC..Hα-helixtrans-67.9-46.2176.2176.4-112.9000113.2I232 Q233 S234 E238 F239 L240 H331 F332I232-Y236 WeakPolarHBondContact O-CB 3.35Å; I232-Y236 PolarHBondContact O-N 2.82Å; I232-Y236 VanDerWaalsContact O-N 3.1Å; Q233-Y236 PolarHBondContact O-N 3.26Å; S234-Y236 VanDerWaalsContact C-N 3.26Å; S234-Y236 PolarHBondContact O-N 3.41Å; Y236-E238 VanDerWaalsContact C-N 3.3Å; Y236-E238 PolarHBondContact O-N 2.89Å; Y236-F239 WeakPolarHBondContact O-CB 3.46Å; Y236-F239 PolarHBondContact O-N 3.47Å; Y236-L240 HydrophobicContact CD1-CD1 4.08Å; Y236-L240 HydrophobicContact CD1-CG 4.46Å; Y236-L240 HydrophobicContact CD2-CG 4.34Å; Y236-L240 HydrophobicContact CE1-CD1 3.39Å; Y236-L240 HydrophobicContact CE1-CG 3.99Å; Y236-L240 HydrophobicContact CE2-CD1 4.11Å; Y236-L240 HydrophobicContact CE2-CD2 3.94Å; Y236-L240 HydrophobicContact CE2-CG 3.78Å; Y236-L240 VanDerWaalsContact CZ-CD1 3.44Å; Y236-L240 PolarHBondContact O-N 3.34Å; Y236-H331 HydrophobicContact CE1-CB 4.47Å; Y236-F332 HydrophobicContact CD1-CB 4.32Å; Y236-F332 HydrophobicContact CD2-CB 4.02Å; Y236-F332 AromaticContact CD2-CD1 3.83Å; Y236-F332 HydrophobicContact CD2-CD1 3.83Å; Y236-F332 AromaticContact CD2-CD2 3.32Å; Y236-F332 HydrophobicContact CD2-CD2 3.32Å; Y236-F332 AromaticContact CD2-CE1 3.92Å; Y236-F332 HydrophobicContact CD2-CE1 3.92Å; Y236-F332 AromaticContact CD2-CE2 3.44Å; Y236-F332 HydrophobicContact CD2-CE2 3.44Å; Y236-F332 VanDerWaalsContact CD2-CE2 3.44Å; Y236-F332 AromaticContact CD2-CG 3.48Å; Y236-F332 HydrophobicContact CD2-CG 3.48Å; Y236-F332 VanDerWaalsContact CD2-CG 3.48Å; Y236-F332 AromaticContact CD2-CZ 3.66Å; Y236-F332 HydrophobicContact CD2-CZ 3.66Å; Y236-F332 HydrophobicContact CE1-CB 4.24Å; Y236-F332 HydrophobicContact CE2-CB 3.99Å; Y236-F332 HydrophobicContact CE2-CD1 4.33Å; Y236-F332 AromaticContact CE2-CD2 2.96Å; Y236-F332 HydrophobicContact CE2-CD2 2.96Å; Y236-F332 AromaticContact CE2-CE2 3.22Å; Y236-F332 HydrophobicContact CE2-CE2 3.22Å; Y236-F332 AromaticContact CE2-CG 3.55Å; Y236-F332 HydrophobicContact CE2-CG 3.55Å; Y236-F332 AromaticContact CE2-CZ 3.95Å; Y236-F332 HydrophobicContact CE2-CZ 3.95Å; Y236-F332 HydrophobicContact CG-CB 4.17Å; Y236-F332 HydrophobicContact CG-CD1 4.31Å; Y236-F332 HydrophobicContact CG-CD2 4.28Å; Y236-F332 HydrophobicContact CG-CG 4.05Å; Y236-F332 AromaticContact CZ-CD2 3.65Å
237N87Confident87.2Confident83 Ų8339.6 Ų39.644%0.44420%0.196SC..Hα-helixtrans-60.1-43.7178.5-72.9-10.6000111.2Q233 S234 F239 L240 S241Q233-N237 PolarHBondContact NE2-OD1 2.88Å; Q233-N237 WeakPolarHBondContact O-CB 3.48Å; Q233-N237 PolarHBondContact O-N 2.7Å; Q233-N237 PolarHBondContact O-ND2 3Å; Q233-N237 PolarHBondContact O-OD1 3.36Å; S234-N237 PolarHBondContact O-N 3.05Å; N237-F239 VanDerWaalsContact C-N 3.35Å; N237-L240 PolarHBondContact O-N 3.13Å; N237-S241 PolarHBondContact O-N 3.26Å
238E88.8Confident86.4Confident48 Ų4842.6 Ų42.622%0.22421%0.212CC..Hα-helixtrans-62.4-45.9175.5-173.48217500110.4F122 S234 Y236 L240 S241 Y242 Y353F122-E238 HydrophobicContact CZ-CG 4.31Å; S234-E238 WeakPolarHBondContact O-CB 3.46Å; S234-E238 PolarHBondContact O-N 3.1Å; Y236-E238 VanDerWaalsContact C-N 3.3Å; Y236-E238 PolarHBondContact O-N 2.89Å; E238-L240 VanDerWaalsContact C-N 3.32Å; E238-L240 PolarHBondContact O-N 2.99Å; E238-S241 WeakPolarHBondContact O-CB 3.31Å; E238-S241 PolarHBondContact O-N 2.82Å; E238-S241 PolarHBondContact O-OG 2.87Å; E238-Y242 HydrophobicContact CG-CD2 3.96Å; E238-Y242 HydrophobicContact CG-CE2 3.45Å; E238-Y242 VanDerWaalsContact CG-CE2 3.45Å; E238-Y242 VanDerWaalsContact O-CD2 3.24Å; E238-Y242 WeakPolarHBondContact O-CD2 3.34Å; E238-Y242 PolarHBondContact O-N 3.49Å; E238-Y242 VanDerWaalsContact O-N 3.16Å; E238-Y242 WeakPolarHBondContact OE1-CE2 3.48Å; E238-Y242 PolarHBondContact OE1-OH 3.27Å; E238-Y353 HydrophobicContact CB-CD2 4.08Å; E238-Y353 HydrophobicContact CB-CE2 3.91Å; E238-Y353 HydrophobicContact CG-CD2 3.36Å; E238-Y353 HydrophobicContact CG-CE2 3.71Å; E238-Y353 HydrophobicContact CG-CG 3.81Å
239F88.4Confident85.9Confident1 Ų148.4 Ų48.40%0.00424%0.243CC..Hα-helixtrans-59.6-42.9179.4-175.5-112.6000112.3L118 Q121 F122 D235 Y236 N237 S241 Y242 L243 L337 L340 L344 L349L118-F239 HydrophobicContact CD2-CB 4.16Å; L118-F239 HydrophobicContact CD2-CD1 3.48Å; L118-F239 VanDerWaalsContact CD2-CD1 3.48Å; L118-F239 HydrophobicContact CD2-CD2 4.05Å; L118-F239 HydrophobicContact CD2-CE1 3.67Å; L118-F239 HydrophobicContact CD2-CE2 4.27Å; L118-F239 HydrophobicContact CD2-CG 3.65Å; L118-F239 HydrophobicContact CD2-CZ 4.07Å; Q121-F239 HydrophobicContact CB-CE2 4.43Å; Q121-F239 HydrophobicContact CG-CE2 3.83Å; Q121-F239 HydrophobicContact CG-CZ 4.27Å; F122-F239 HydrophobicContact CE1-CB 4.45Å; F122-F239 AromaticContact CE1-CD2 3.84Å; F122-F239 HydrophobicContact CE1-CD2 3.84Å; F122-F239 HydrophobicContact CE2-CB 4.15Å; F122-F239 HydrophobicContact CE2-CD2 4.27Å; F122-F239 HydrophobicContact CZ-CB 3.63Å; F122-F239 AromaticContact CZ-CD2 3.72Å; F122-F239 HydrophobicContact CZ-CD2 3.72Å; F122-F239 HydrophobicContact CZ-CG 4.18Å; D235-F239 VanDerWaalsContact O-CB 3.26Å; D235-F239 WeakPolarHBondContact O-CB 3.36Å; D235-F239 PolarHBondContact O-N 3.49Å; Y236-F239 WeakPolarHBondContact O-CB 3.46Å; Y236-F239 PolarHBondContact O-N 3.47Å; N237-F239 VanDerWaalsContact C-N 3.35Å; F239-S241 VanDerWaalsContact C-N 3.31Å; F239-S241 PolarHBondContact O-N 2.9Å; F239-Y242 PolarHBondContact O-N 2.96Å; F239-L243 HydrophobicContact CD1-CD1 3.84Å; F239-L243 HydrophobicContact CD1-CG 4.42Å; F239-L243 HydrophobicContact CE1-CD1 3.62Å; F239-L243 HydrophobicContact CE1-CG 4.28Å; F239-L243 HydrophobicContact CZ-CD1 4.19Å; F239-L243 HydrophobicContact CZ-CD2 4.37Å; F239-L243 HydrophobicContact CZ-CG 4.44Å; F239-L243 WeakPolarHBondContact O-CG 3.14Å; F239-L243 PolarHBondContact O-N 3.32Å; F239-L337 HydrophobicContact CE1-CD2 4.14Å; F239-L340 HydrophobicContact CE1-CD2 3.38Å; F239-L340 HydrophobicContact CZ-CD2 3.71Å; F239-L344 HydrophobicContact CE2-CD1 4.05Å; F239-L344 HydrophobicContact CZ-CD1 3.52Å; F239-L349 HydrophobicContact CE2-CD1 4.34Å
240L86.1Confident85.4Confident30 Ų3050.6 Ų50.616%0.15726%0.259CS..Hα-helixtrans-58.1-43.2171.7-75.3-178.1000112.2Y236 N237 E238 Y242 L243 E244 L255Y236-L240 HydrophobicContact CD1-CD1 4.08Å; Y236-L240 HydrophobicContact CD1-CG 4.46Å; Y236-L240 HydrophobicContact CD2-CG 4.34Å; Y236-L240 HydrophobicContact CE1-CD1 3.39Å; Y236-L240 HydrophobicContact CE1-CG 3.99Å; Y236-L240 HydrophobicContact CE2-CD1 4.11Å; Y236-L240 HydrophobicContact CE2-CD2 3.94Å; Y236-L240 HydrophobicContact CE2-CG 3.78Å; Y236-L240 VanDerWaalsContact CZ-CD1 3.44Å; Y236-L240 PolarHBondContact O-N 3.34Å; N237-L240 PolarHBondContact O-N 3.13Å; E238-L240 VanDerWaalsContact C-N 3.32Å; E238-L240 PolarHBondContact O-N 2.99Å; L240-Y242 VanDerWaalsContact C-N 3.27Å; L240-Y242 PolarHBondContact O-N 3.46Å; L240-L243 HydrophobicContact CD2-CD1 4.5Å; L240-L243 PolarHBondContact O-N 3.37Å; L240-L243 VanDerWaalsContact O-N 3.15Å; L240-E244 WeakPolarHBondContact O-CG 3.46Å; L240-E244 PolarHBondContact O-N 2.93Å; L240-L255 HydrophobicContact CD2-CD2 3.88Å
241S88.5Confident85.2Confident29 Ų2947.9 Ų47.920%0.20325%0.247CC..Hα-helixtrans-60.5-35.9-179.683.50000112.7N237 E238 F239 R245N237-S241 PolarHBondContact O-N 3.26Å; E238-S241 WeakPolarHBondContact O-CB 3.31Å; E238-S241 PolarHBondContact O-N 2.82Å; E238-S241 PolarHBondContact O-OG 2.87Å; F239-S241 VanDerWaalsContact C-N 3.31Å; F239-S241 PolarHBondContact O-N 2.9Å; S241-R245 WeakPolarHBondContact O-CG 3.24Å; S241-R245 PolarHBondContact O-N 3.38Å
242Y88.3Confident84.8Confident10 Ų1051 Ų514%0.03926%0.257CS..Hα-helixtrans-73.9-39.7174.1-72.1-71.3000112.3F122 E238 F239 L240 E244 R245 S246 N352F122-Y242 AromaticContact CE1-CD2 3.64Å; F122-Y242 HydrophobicContact CE1-CD2 3.64Å; F122-Y242 HydrophobicContact CE1-CE2 4.04Å; F122-Y242 HydrophobicContact CZ-CD2 4.18Å; E238-Y242 HydrophobicContact CG-CD2 3.96Å; E238-Y242 HydrophobicContact CG-CE2 3.45Å; E238-Y242 VanDerWaalsContact CG-CE2 3.45Å; E238-Y242 VanDerWaalsContact O-CD2 3.24Å; E238-Y242 WeakPolarHBondContact O-CD2 3.34Å; E238-Y242 PolarHBondContact O-N 3.49Å; E238-Y242 VanDerWaalsContact O-N 3.16Å; E238-Y242 WeakPolarHBondContact OE1-CE2 3.48Å; E238-Y242 PolarHBondContact OE1-OH 3.27Å; F239-Y242 PolarHBondContact O-N 2.96Å; L240-Y242 VanDerWaalsContact C-N 3.27Å; L240-Y242 PolarHBondContact O-N 3.46Å; Y242-E244 VanDerWaalsContact C-N 3.32Å; Y242-E244 PolarHBondContact O-N 3.41Å; Y242-R245 PolarHBondContact O-N 2.97Å; Y242-S246 PolarHBondContact O-N 3.35Å; Y242-N352 PolarHBondContact OH-OD1 2.94Å
243L85.5Confident84.5Confident0 Ų054.5 Ų54.50%028%0.282CS..Hα-helixtrans-62.7-39.2175.6-67.5176.6000112.1F239 L240 R245 S246 I251 W254 L255 L340 L344 L349F239-L243 HydrophobicContact CD1-CD1 3.84Å; F239-L243 HydrophobicContact CD1-CG 4.42Å; F239-L243 HydrophobicContact CE1-CD1 3.62Å; F239-L243 HydrophobicContact CE1-CG 4.28Å; F239-L243 HydrophobicContact CZ-CD1 4.19Å; F239-L243 HydrophobicContact CZ-CD2 4.37Å; F239-L243 HydrophobicContact CZ-CG 4.44Å; F239-L243 WeakPolarHBondContact O-CG 3.14Å; F239-L243 PolarHBondContact O-N 3.32Å; L240-L243 HydrophobicContact CD2-CD1 4.5Å; L240-L243 PolarHBondContact O-N 3.37Å; L240-L243 VanDerWaalsContact O-N 3.15Å; L243-R245 PolarHBondContact O-N 2.95Å; L243-S246 WeakPolarHBondContact O-CB 3.02Å; L243-S246 PolarHBondContact O-N 3.32Å; L243-I251 HydrophobicContact CB-CG2 3.94Å; L243-I251 HydrophobicContact CD2-CD1 4.31Å; L243-I251 HydrophobicContact CD2-CG2 3.9Å; L243-I251 HydrophobicContact CG-CG2 4.45Å; L243-W254 HydrophobicContact CD1-CZ3 4.25Å; L243-L255 HydrophobicContact CB-CD1 4.05Å; L243-L255 HydrophobicContact CB-CD2 4.36Å; L243-L255 HydrophobicContact CD1-CD2 4.46Å; L243-L340 HydrophobicContact CD1-CD2 3.73Å; L243-L344 HydrophobicContact CD2-CD1 4.32Å; L243-L344 HydrophobicContact CD2-CD2 3.89Å; L243-L349 HydrophobicContact CD2-CD1 4.13Å; L243-L349 HydrophobicContact CD2-CD2 4.25Å
244E85.7Confident84.4Confident98 Ų9852.5 Ų52.546%0.45827%0.272SS..Hα-helixtrans-64.3-30177-75-178.7162.600112.5L240 Y242 S246 L255 K259L240-E244 WeakPolarHBondContact O-CG 3.46Å; L240-E244 PolarHBondContact O-N 2.93Å; Y242-E244 VanDerWaalsContact C-N 3.32Å; Y242-E244 PolarHBondContact O-N 3.41Å; E244-S246 VanDerWaalsContact C-N 3.31Å; E244-L255 HydrophobicContact CG-CD1 4.03Å; E244-K259 IonicContact OE1-NZ 3.45Å; E244-K259 PolarHBondContact OE1-NZ 2.87Å
245R84.5Confident84.1Confident184 Ų18450.7 Ų50.769%0.69426%0.259SS*.Hα-helixtrans-80.2-11.5173.9-67.8172.9-173.7179.63.6113.3S241 Y242 L243S241-R245 WeakPolarHBondContact O-CG 3.24Å; S241-R245 PolarHBondContact O-N 3.38Å; Y242-R245 PolarHBondContact O-N 2.97Å; L243-R245 PolarHBondContact O-N 2.95Å
246S82.1Confident83.7Confident5 Ų555.7 Ų55.74%0.03529%0.289CS..  trans-64.1134.5-178.4-172.30000111.4Y242 L243 E244 L248 I251 R252Y242-S246 PolarHBondContact O-N 3.35Å; L243-S246 WeakPolarHBondContact O-CB 3.02Å; L243-S246 PolarHBondContact O-N 3.32Å; E244-S246 VanDerWaalsContact C-N 3.31Å; S246-L248 PolarHBondContact O-N 3Å; S246-L248 PolarHBondContact OG-N 3.37Å; S246-I251 WeakPolarHBondContact OG-CD1 3.27Å; S246-R252 PolarHBondContact O-NE 3.27Å
247P74.2Confident83.2Confident102 Ų10260 Ų6066%0.66231%0.305SS*.  trans-74.9-8.5176.730-34.2000113.1
248L79.2Confident82.5Confident68 Ų6857.1 Ų57.136%0.35629%0.292SS..  trans-84.2125.4-168.6-68.7164000112.9S246 S250 I251 R252 I347S246-L248 PolarHBondContact O-N 3Å; S246-L248 PolarHBondContact OG-N 3.37Å; L248-S250 VanDerWaalsContact C-N 3.27Å; L248-S250 PolarHBondContact O-N 2.96Å; L248-I251 HydrophobicContact CB-CD1 4.31Å; L248-I251 HydrophobicContact CD1-CD1 4.42Å; L248-I251 PolarHBondContact O-N 2.85Å; L248-R252 PolarHBondContact O-N 3.27Å; L248-R252 VanDerWaalsContact O-N 3.14Å; L248-I347 HydrophobicContact CD1-CB 4.1Å; L248-I347 HydrophobicContact CD1-CD1 3.21Å; L248-I347 HydrophobicContact CD1-CG1 3.4Å; L248-I347 HydrophobicContact CD1-CG2 3.57Å
249N81.6Confident81.6Confident123 Ų12361.7 Ų61.766%0.65831%0.311SS*.Hα-helixtrans-61.2-33.4-178.8-74.2-18.7000113.1I251 R252 S253N249-I251 PolarHBondContact O-N 3.47Å; N249-R252 PolarHBondContact O-N 3.33Å; N249-S253 VanDerWaalsContact O-CB 3.32Å; N249-S253 WeakPolarHBondContact O-CB 3.21Å; N249-S253 PolarHBondContact O-N 2.74Å; N249-S253 PolarHBondContact O-OG 3.39Å
250S82.2Confident80.5Confident49 Ų4965.7 Ų65.734%0.34334%0.339SS..Hα-helixtrans-59.4-45.9175.551.70000111.7L248 S253 W254L248-S250 VanDerWaalsContact C-N 3.27Å; L248-S250 PolarHBondContact O-N 2.96Å; S250-S253 PolarHBondContact O-OG 2.85Å; S250-W254 WeakPolarHBondContact O-CB 3.33Å; S250-W254 PolarHBondContact O-N 2.81Å
251I81.8Confident79.1Confident0 Ų068 Ų680%035%0.351CS..Hα-helixtrans-65.9-45176.7-67.9170.9000111L243 S246 L248 N249 S253 W254 L255 L344 I347 L349L243-I251 HydrophobicContact CB-CG2 3.94Å; L243-I251 HydrophobicContact CD2-CD1 4.31Å; L243-I251 HydrophobicContact CD2-CG2 3.9Å; L243-I251 HydrophobicContact CG-CG2 4.45Å; S246-I251 WeakPolarHBondContact OG-CD1 3.27Å; L248-I251 HydrophobicContact CB-CD1 4.31Å; L248-I251 HydrophobicContact CD1-CD1 4.42Å; L248-I251 PolarHBondContact O-N 2.85Å; N249-I251 PolarHBondContact O-N 3.47Å; I251-S253 PolarHBondContact O-N 3.42Å; I251-W254 PolarHBondContact O-N 3.34Å; I251-L255 HydrophobicContact CG2-CD1 4.05Å; I251-L255 HydrophobicContact CG2-CG 4.4Å; I251-L255 WeakPolarHBondContact O-CG 3.48Å; I251-L255 PolarHBondContact O-N 3.21Å; I251-L344 HydrophobicContact CD1-CD2 3.71Å; I251-L344 HydrophobicContact CG1-CD2 4.45Å; I251-I347 HydrophobicContact CD1-CD1 3.62Å; I251-I347 HydrophobicContact CD1-CG2 4.4Å; I251-I347 HydrophobicContact CG1-CD1 4.35Å; I251-L349 HydrophobicContact CD1-CD2 4.4Å
252R80.4Confident77.3Confident123 Ų12376.1 Ų76.146%0.46438%0.382SS..Hα-helixtrans-61-45.5177.8-70.2-177.8-177.5160.9-2.9112.1S246 L248 N249 W254 L255 V256S246-R252 PolarHBondContact O-NE 3.27Å; L248-R252 PolarHBondContact O-N 3.27Å; L248-R252 VanDerWaalsContact O-N 3.14Å; N249-R252 PolarHBondContact O-N 3.33Å; R252-W254 VanDerWaalsContact C-N 3.29Å; R252-W254 PolarHBondContact O-N 3.06Å; R252-L255 PolarHBondContact O-N 3.07Å; R252-V256 WeakPolarHBondContact O-CG2 3.37Å; R252-V256 PolarHBondContact O-N 3.39Å
253S82.3Confident75.5Confident78 Ų7880.1 Ų80.155%0.54540%0.403SS..Hα-helixtrans-60.8-40.6176.972.10000111.7N249 S250 I251 V256 R257N249-S253 VanDerWaalsContact O-CB 3.32Å; N249-S253 WeakPolarHBondContact O-CB 3.21Å; N249-S253 PolarHBondContact O-N 2.74Å; N249-S253 PolarHBondContact O-OG 3.39Å; S250-S253 PolarHBondContact O-OG 2.85Å; I251-S253 PolarHBondContact O-N 3.42Å; S253-V256 PolarHBondContact O-N 3.21Å; S253-R257 WeakPolarHBondContact O-CB 3.48Å; S253-R257 PolarHBondContact O-N 3.3Å
254W82.4Confident73.2Confident8 Ų885.8 Ų85.83%0.0344%0.44CS..Hα-helixtrans-64.8-42.2175-179.9103.7000112.2L243 S250 I251 R252 R257 S258 L336 L340L243-W254 HydrophobicContact CD1-CZ3 4.25Å; S250-W254 WeakPolarHBondContact O-CB 3.33Å; S250-W254 PolarHBondContact O-N 2.81Å; I251-W254 PolarHBondContact O-N 3.34Å; R252-W254 VanDerWaalsContact C-N 3.29Å; R252-W254 PolarHBondContact O-N 3.06Å; W254-R257 PolarHBondContact O-N 3.47Å; W254-S258 WeakPolarHBondContact O-CB 2.88Å; W254-S258 PolarHBondContact O-N 3.1Å; W254-S258 PolarHBondContact O-OG 2.92Å; W254-L336 HydrophobicContact CH2-CD2 3.35Å; W254-L336 HydrophobicContact CH2-CG 4.06Å; W254-L336 HydrophobicContact CZ2-CD1 4.28Å; W254-L336 HydrophobicContact CZ2-CD2 3.29Å; W254-L336 HydrophobicContact CZ2-CG 3.52Å; W254-L340 HydrophobicContact CD2-CD1 3.87Å; W254-L340 HydrophobicContact CE3-CD1 3.97Å; W254-L340 HydrophobicContact CG-CD1 4.31Å; W254-L340 HydrophobicContact CH2-CB 4.42Å; W254-L340 HydrophobicContact CH2-CD1 4.28Å; W254-L340 HydrophobicContact CH2-CD2 3.82Å; W254-L340 HydrophobicContact CH2-CG 4.4Å; W254-L340 HydrophobicContact CZ2-CB 3.82Å; W254-L340 HydrophobicContact CZ2-CD1 4.16Å; W254-L340 HydrophobicContact CZ2-CD2 4.07Å; W254-L340 HydrophobicContact CZ2-CG 4.23Å; W254-L340 HydrophobicContact CZ3-CD1 4.2Å; W254-L340 HydrophobicContact CZ3-CD2 4.22Å
255L80.9Confident71.2Confident11 Ų1188.2 Ų88.26%0.05845%0.445CS..Hα-helixtrans-63.5-41.7177.1-78.3170.3000112.2L240 L243 E244 I251 R252 S258 K259L240-L255 HydrophobicContact CD2-CD2 3.88Å; L243-L255 HydrophobicContact CB-CD1 4.05Å; L243-L255 HydrophobicContact CB-CD2 4.36Å; L243-L255 HydrophobicContact CD1-CD2 4.46Å; E244-L255 HydrophobicContact CG-CD1 4.03Å; I251-L255 HydrophobicContact CG2-CD1 4.05Å; I251-L255 HydrophobicContact CG2-CG 4.4Å; I251-L255 WeakPolarHBondContact O-CG 3.48Å; I251-L255 PolarHBondContact O-N 3.21Å; R252-L255 PolarHBondContact O-N 3.07Å; L255-S258 WeakPolarHBondContact CA-OG 3.21Å; L255-S258 PolarHBondContact O-N 3.22Å; L255-S258 PolarHBondContact O-OG 3.41Å; L255-K259 WeakPolarHBondContact O-CB 3.48Å; L255-K259 WeakPolarHBondContact O-CG 3.28Å; L255-K259 PolarHBondContact O-N 3.38Å
256V80.3Confident68.7Low105 Ų10589.5 Ų89.564%0.63646%0.455SS*.Hα-helixtrans-62.9-45.9175.4172.40000110R252 S253 K259 S260R252-V256 WeakPolarHBondContact O-CG2 3.37Å; R252-V256 PolarHBondContact O-N 3.39Å; S253-V256 PolarHBondContact O-N 3.21Å; V256-K259 PolarHBondContact O-N 3.4Å; V256-S260 WeakPolarHBondContact O-CB 3.4Å; V256-S260 PolarHBondContact O-N 3.46Å; V256-S260 VanDerWaalsContact O-N 3.11Å; V256-S260 PolarHBondContact O-OG 2.9Å
257R77.2Confident66.5Low105 Ų10598.4 Ų98.440%0.39649%0.488SS..Hα-helixtrans-61.1-46.6176.3-174176.959.1100.34.9111.3S253 W254 K259 S260 I261 E339S253-R257 WeakPolarHBondContact O-CB 3.48Å; S253-R257 PolarHBondContact O-N 3.3Å; W254-R257 PolarHBondContact O-N 3.47Å; R257-K259 PolarHBondContact O-N 3.22Å; R257-S260 PolarHBondContact O-N 3.15Å; R257-S260 VanDerWaalsContact O-N 3.1Å; R257-S260 PolarHBondContact O-OG 3Å; R257-I261 HydrophobicContact CG-CD1 4.21Å; R257-I261 WeakPolarHBondContact O-CG1 3.26Å; R257-I261 PolarHBondContact O-N 3.4Å; R257-E339 IonicContact CZ-OE2 3.97Å; R257-E339 IonicContact NH1-OE2 3.26Å; R257-E339 PolarHBondContact NH1-OE2 2.94Å; R257-E339 VanDerWaalsContact NH1-OE2 3.13Å; R257-E339 IonicContact NH2-OE2 3.84Å; R257-E339 PolarHBondContact NH2-OE2 3.05Å
258S71.3Confident64.4Low23 Ų2397.8 Ų97.816%0.16149%0.487CS..Hα-helixtrans-65.6-39-178.267.40000112.9W254 L255 S260 I261W254-S258 WeakPolarHBondContact O-CB 2.88Å; W254-S258 PolarHBondContact O-N 3.1Å; W254-S258 PolarHBondContact O-OG 2.92Å; L255-S258 WeakPolarHBondContact CA-OG 3.21Å; L255-S258 PolarHBondContact O-N 3.22Å; L255-S258 PolarHBondContact O-OG 3.41Å; S258-S260 VanDerWaalsContact C-N 3.26Å; S258-S260 PolarHBondContact O-N 3.32Å; S258-I261 PolarHBondContact O-N 3.13Å
259K71.5Confident61.9Low144 Ų144105.5 Ų105.563%0.62651%0.511SS*.Hα-helixtrans-65.6-27.3172.6-70.8-179.2-177.8-177.90112.8E244 L255 V256 R257E244-K259 IonicContact OE1-NZ 3.45Å; E244-K259 PolarHBondContact OE1-NZ 2.87Å; L255-K259 WeakPolarHBondContact O-CB 3.48Å; L255-K259 WeakPolarHBondContact O-CG 3.28Å; L255-K259 PolarHBondContact O-N 3.38Å; V256-K259 PolarHBondContact O-N 3.4Å; R257-K259 PolarHBondContact O-N 3.22Å
260S63.7Low59.3Low84 Ų84108.4 Ų108.459%0.58752%0.518SS*.Hα-helixtrans-82.1-22.4179.575.20000114.6V256 R257 S258 K262V256-S260 WeakPolarHBondContact O-CB 3.4Å; V256-S260 PolarHBondContact O-N 3.46Å; V256-S260 VanDerWaalsContact O-N 3.11Å; V256-S260 PolarHBondContact O-OG 2.9Å; R257-S260 PolarHBondContact O-N 3.15Å; R257-S260 VanDerWaalsContact O-N 3.1Å; R257-S260 PolarHBondContact O-OG 3Å; S258-S260 VanDerWaalsContact C-N 3.26Å; S258-S260 PolarHBondContact O-N 3.32Å; S260-K262 PolarHBondContact O-N 2.91Å
261I58.2Low56.7Low80 Ų80112.4 Ų112.441%0.4153%0.531SS..  trans-75.799-179.5-61.2161.8000109R257 S258 I263R257-I261 HydrophobicContact CG-CD1 4.21Å; R257-I261 WeakPolarHBondContact O-CG1 3.26Å; R257-I261 PolarHBondContact O-N 3.4Å; S258-I261 PolarHBondContact O-N 3.13Å; I261-I263 HydrophobicContact CB-CG1 4.34Å; I261-I263 HydrophobicContact CG2-CB 4.33Å; I261-I263 HydrophobicContact CG2-CG1 3.43Å; I261-I263 VanDerWaalsContact CG2-CG1 3.43Å; I261-I263 PolarHBondContact O-N 2.73Å
262K50.8Low54Low199 Ų199122.6 Ų122.687%0.86557%0.571SS**  trans-66.383.5155.9-71.1-177.3179.1178.80107.9S260 P264S260-K262 PolarHBondContact O-N 2.91Å; K262-P264 WeakPolarHBondContact O-CD 3.32Å; K262-P264 VanDerWaalsContact O-N 3.08Å
263I48.8Very low51.5Low93 Ų93124 Ų12448%0.47758%0.583SS.*  trans-58.7114.9178.5-60.2173.7000107.7I261 R265I261-I263 HydrophobicContact CB-CG1 4.34Å; I261-I263 HydrophobicContact CG2-CB 4.33Å; I261-I263 HydrophobicContact CG2-CG1 3.43Å; I261-I263 VanDerWaalsContact CG2-CG1 3.43Å; I261-I263 PolarHBondContact O-N 2.73Å; I263-R265 PolarHBondContact O-N 3.4Å
264P39.2Very low48.8Very low119 Ų119128.5 Ų128.577%0.77359%0.593SS**  trans-70.9100.8173.2-7.924.8000107.1K262 K266K262-P264 WeakPolarHBondContact O-CD 3.32Å; K262-P264 VanDerWaalsContact O-N 3.08Å; P264-K266 VanDerWaalsContact C-N 3.34Å; P264-K266 PolarHBondContact O-N 3.2Å
265R42.5Very low46Very low149 Ų149136.7 Ų136.756%0.56263%0.631SS**  trans-72.390.8174.6-69.7-173.4-179135.2-7.2109.1I263 R267 K328 F330I263-R265 PolarHBondContact O-N 3.4Å; R265-R267 PolarHBondContact O-N 3.13Å; R265-K328 PolarHBondContact NH1-O 3.35Å; R265-K328 PolarHBondContact NH2-O 2.88Å; R265-F330 PolarHBondContact NH2-O 3.34Å
266K31.3Very low43.4Very low211 Ų211143.5 Ų143.592%0.91767%0.667SS**  trans-71.981.8151.7-85.4-172.4176.4-179.60107.4P264P264-K266 VanDerWaalsContact C-N 3.34Å; P264-K266 PolarHBondContact O-N 3.2Å
267R37.2Very low40.8Very low192 Ų192147.8 Ų147.873%0.72568%0.677SS**  trans-75.4129.7148-89.9-170.1176.2174.1-0.5106R265 R269R265-R267 PolarHBondContact O-N 3.13Å; R267-R269 PolarHBondContact O-N 3.46Å; R267-R269 VanDerWaalsContact O-N 3.1Å
268S29Very low38.3Very low90 Ų90151.3 Ų151.363%0.62970%0.7SS**  trans-52.2118.5170.8-170.10000108F270S268-F270 PolarHBondContact O-N 2.87Å; S268-F270 WeakPolarHBondContact OG-CD2 3.18Å; S268-F270 VanDerWaalsContact OG-CE2 3.24Å; S268-F270 WeakPolarHBondContact OG-CE2 3.23Å
269R27.8Very low36.1Very low230 Ų230157 Ų15787%0.86873%0.729SS**  trans-69.379.1164.6-84.7-179.8164141.2-6.4106.9R267 H271R267-R269 PolarHBondContact O-N 3.46Å; R267-R269 VanDerWaalsContact O-N 3.1Å; R269-H271 VanDerWaalsContact C-N 3.31Å; R269-H271 PolarHBondContact O-N 3.46Å
270F26.5Very low34.2Very low184 Ų184156.2 Ų156.281%0.80774%0.741SS**  trans-92.378.1154.9-83.6-74.7000106.8S268 Y272S268-F270 PolarHBondContact O-N 2.87Å; S268-F270 WeakPolarHBondContact OG-CD2 3.18Å; S268-F270 VanDerWaalsContact OG-CE2 3.24Å; S268-F270 WeakPolarHBondContact OG-CE2 3.23Å; F270-Y272 VanDerWaalsContact C-N 3.34Å; F270-Y272 PolarHBondContact O-N 3.13Å
271H26.8Very low32.5Very low132 Ų132156.8 Ų156.861%0.61175%0.745SS**  trans-74.396.4157.2-85.2-102.8000106.1R269 E273R269-H271 VanDerWaalsContact C-N 3.31Å; R269-H271 PolarHBondContact O-N 3.46Å; H271-E273 VanDerWaalsContact C-N 3.27Å; H271-E273 IonicContact CE1-OE1 3.41Å; H271-E273 PolarHBondContact CE1-OE1 2.66Å; H271-E273 IonicContact ND1-OE1 3.9Å; H271-E273 PolarHBondContact ND1-OE1 2.89Å
272Y25.8Very low31.1Very low214 Ų214162.2 Ų162.284%0.83977%0.769SS**  trans-92.877.7149.7-142.5-90.7000105.3F270 K274F270-Y272 VanDerWaalsContact C-N 3.34Å; F270-Y272 PolarHBondContact O-N 3.13Å; Y272-K274 PolarHBondContact O-N 2.93Å
273E27.3Very low30Very low152 Ų152162.8 Ų162.871%0.7177%0.772SS**  trans-6688.9163-85.1170.8-161.300106.3H271 E275H271-E273 VanDerWaalsContact C-N 3.27Å; H271-E273 IonicContact CE1-OE1 3.41Å; H271-E273 PolarHBondContact CE1-OE1 2.66Å; H271-E273 IonicContact ND1-OE1 3.9Å; H271-E273 PolarHBondContact ND1-OE1 2.89Å; E273-E275 PolarHBondContact O-N 2.97Å
274K26.8Very low28.9Very low174 Ų174167 Ų16776%0.75779%0.789SS**  trans-63106.9161.1-153.5176.9-172178.80104.3Y272 L276Y272-K274 PolarHBondContact O-N 2.93Å; K274-L276 PolarHBondContact O-N 3.19Å
275E24.1Very low28.2Very low179 Ų179168.7 Ų168.784%0.83679%0.791SS**  trans-51.384.7170.4-71.8179.1150.300109.3E273 K277E273-E275 PolarHBondContact O-N 2.97Å; E275-K277 VanDerWaalsContact C-N 3.31Å; E275-K277 PolarHBondContact O-N 3.23Å; E275-K277 VanDerWaalsContact O-N 3.13Å
276L26.5Very low27.5Very low155 Ų155170.9 Ų170.981%0.81281%0.805SS**  trans-71.6102.5155.4-80.4163.1000104K274 M278K274-L276 PolarHBondContact O-N 3.19Å; L276-M278 PolarHBondContact O-N 3.16Å
277K24.1Very low27.1Very low194 Ų194169.7 Ų169.784%0.84380%0.802SS**  trans-50.586165.1-70.3176.7174.61790108.3E275E275-K277 VanDerWaalsContact C-N 3.31Å; E275-K277 PolarHBondContact O-N 3.23Å; E275-K277 VanDerWaalsContact O-N 3.13Å
278M24.7Very low26.6Very low180 Ų180168.3 Ų168.389%0.88781%0.809SS**  trans-74.5128.6165.7-95.4-85.4178.400106.6L276L276-M278 PolarHBondContact O-N 3.16Å
279N26.4Very low26.4Very low143 Ų143167.4 Ų167.477%0.76581%0.814SS**  trans-56.1141.2-173-72-30.9000111.5S281N279-S281 VanDerWaalsContact C-N 3.28Å; N279-S281 PolarHBondContact O-N 3.23Å
280S31.8Very low26.3Very low126 Ų126166.1 Ų166.188%0.88182%0.815SS**SBendtrans-65.977.6177.2510000111.5
281S28.1Very low26.3Very low97 Ų97164.8 Ų164.868%0.67882%0.815SS**SBendtrans-170.459.4165.358.90000111.4N279N279-S281 VanDerWaalsContact C-N 3.28Å; N279-S281 PolarHBondContact O-N 3.23Å
282E28.7Very low26.2Very low194 Ų194166.3 Ų166.391%0.90783%0.826SS**  trans-167.529.5164.1-111.2165.5-141.100112.3
283K26.2Very low26Very low211 Ų211164.3 Ų164.392%0.91782%0.824SS**  trans-99.315.9-177.6-119.6-174.9-175.1-177.30114.8
284E25.5Very low25.9Very low181 Ų181165.9 Ų165.985%0.84683%0.831SS**  trans-123.990.1176.8-72.4-177.5172.800109.2
285L25.4Very low25.8Very low154 Ų154165.6 Ų165.681%0.80684%0.837SS**SBendtrans171.3140.3145.9-92.1145.2000108.1
286F26.6Very low25.9Very low196 Ų196162.9 Ų162.986%0.8683%0.833SS**  trans90.548.2-179.9-49-72.2000117
287E23.5Very low25.7Very low185 Ų185162 Ų16286%0.86483%0.834SS**  trans-77.1157.7130.8-76.5-176.615300109.2
288D26.8Very low25.8Very low163 Ų163161.8 Ų161.887%0.87283%0.833SS**  trans93.881.7179.4-59.9-21.7000118.4
289G25.1Very low25.8Very low71 Ų71158.3 Ų158.373%0.73283%0.827SS**  31.6130.6114.900000121.3
290K26Very low25.8Very low203 Ų203162.2 Ų162.288%0.88384%0.837SS**  trans77.7115.8165.1-55.4173.7178174.20112.8
291I26.6Very low25.4Very low157 Ų157160.1 Ų160.181%0.80582%0.823SS**  -153.9123.871.1-78.6151.5000109.3
292I23.5Very low25.2Very low164 Ų164161.7 Ų161.784%0.84183%0.834SS**  trans-104110.4164.4-64.7170.2000105.3
293Q22.7Very low24.9Very low171 Ų171159.8 Ų159.880%0.79983%0.825SS**  trans138.397160.9-84.3170.8-13.600109.9
294E24.1Very low24.8Very low186 Ų186156.4 Ų156.487%0.86982%0.822SS**  trans165.483.9141.7-96178-176.300107.8
295L26Very low24.8Very low168 Ų168157.3 Ų157.388%0.8882%0.824SS**  trans-158.145.7161.3-97.7159.2000108.4
296T25.4Very low24.8Very low122 Ų122154.8 Ų154.875%0.74882%0.819SS**  trans-90.4140.715240.80000107
297T23.5Very low24.9Very low137 Ų137153.2 Ų153.284%0.8481%0.808SS**  trans71.869.7176.572.60000117.1
298K25.7Very low25.1Very low188 Ų188151.4 Ų151.482%0.81781%0.805SS**  trans-130.2114.4139.2-78.2-171.8178.5174.80109.5
299S25.1Very low25.4Very low107 Ų107149.2 Ų149.275%0.74880%0.797SS**  trans-36134.2167.534.70000112.6S301S299-S301 VanDerWaalsContact C-N 3.3Å; S299-S301 PolarHBondContact O-N 2.87Å
300F24.5Very low25.9Very low225 Ų225153.2 Ų153.299%0.98780%0.802SS**  trans-54.285172.3-85.2-103.1000111.2
301S23.7Very low26.8Very low83 Ų83146 Ų14658%0.5878%0.777SS**  trans-95.3130.615647.50000107.9S299 E303S299-S301 VanDerWaalsContact C-N 3.3Å; S299-S301 PolarHBondContact O-N 2.87Å; S301-E303 VanDerWaalsContact C-N 3.25Å; S301-E303 PolarHBondContact O-N 2.81Å
302S25.1Very low27.9Very low130 Ų130142 Ų14291%0.90976%0.762SS**  trans-58.979.617841.30000111.6
303E22.9Very low29.5Very low153 Ų153142 Ų14272%0.71576%0.763SS**  trans-103.6115.1165.9-74.5177.5-178.200107.9S301 F305S301-E303 VanDerWaalsContact C-N 3.25Å; S301-E303 PolarHBondContact O-N 2.81Å; E303-F305 PolarHBondContact O-N 3.04Å
304T23.3Very low31.5Very low141 Ų141136.2 Ų136.287%0.86574%0.735SS**  trans-38.8106.1170.327.10000111S306T304-S306 PolarHBondContact O-N 3.37Å
305F26.4Very low34Very low199 Ų199131 Ų13187%0.87371%0.713SS**  trans-52.4108.5175.1-82.9-91.5000109.9E303 Y307E303-F305 PolarHBondContact O-N 3.04Å; F305-Y307 PolarHBondContact O-N 2.87Å
306S24Very low36.1Very low102 Ų102126.6 Ų126.671%0.71369%0.694SS**  trans-63.1116.7171.153.10000109.4T304 N308T304-S306 PolarHBondContact O-N 3.37Å; S306-N308 PolarHBondContact O-N 2.7Å
307Y29.7Very low38.5Very low162 Ų162125.9 Ų125.964%0.63569%0.694SS**  trans-63.199176.4-86.6-98.3000110.6F305 V309F305-Y307 PolarHBondContact O-N 2.87Å; Y307-V309 PolarHBondContact O-N 2.77Å
308N28.2Very low41.6Very low147 Ų147120.4 Ų120.479%0.78666%0.662SS**  trans-80.2110.3167.7-91.8-15.3000110.8S306S306-N308 PolarHBondContact O-N 2.7Å
309V32.6Very low44.8Very low117 Ų117111.9 Ų111.971%0.70963%0.625SS**SBendtrans57117.2137.8-170.30000118.4Y307Y307-V309 PolarHBondContact O-N 2.77Å
310N35.5Very low48.2Very low155 Ų155107.9 Ų107.983%0.82960%0.595SS**  trans87.532.5166.6-60.8-9.5000119.4
311S45.4Very low51.5Low51 Ų5197.5 Ų97.536%0.35755%0.55SS.*  trans-91.3119.7151.759.50000108.7I313S311-I313 PolarHBondContact O-N 3.36Å
312S49.7Very low54.7Low73 Ų7396.6 Ų96.651%0.5154%0.538SS..SBendtrans-42.1124.3163.242.10000109.7F314 I322S312-F314 PolarHBondContact O-N 3.39Å; S312-I322 PolarHBondContact OG-O 3.35Å
313I55.8Low57.5Low165 Ų16592.1 Ų92.185%0.84651%0.513SS*.  trans-5.890179-54.4164.2000112.6S311 N315S311-I313 PolarHBondContact O-N 3.36Å; I313-N315 PolarHBondContact O-N 2.74Å
314F65.9Low60.5Low49 Ų4986 Ų8622%0.21548%0.483CS..  trans-78.7119172.8167.6-109000108.6F230 S312 P316 N321 Y324F230-F314 HydrophobicContact CD1-CE2 4.38Å; F230-F314 AromaticContact CD1-CZ 3.96Å; F230-F314 HydrophobicContact CD1-CZ 3.96Å; F230-F314 HydrophobicContact CE1-CD2 4.46Å; F230-F314 HydrophobicContact CE1-CE1 4.19Å; F230-F314 AromaticContact CE1-CE2 3.18Å; F230-F314 HydrophobicContact CE1-CE2 3.18Å; F230-F314 AromaticContact CE1-CZ 2.99Å; F230-F314 HydrophobicContact CE1-CZ 2.99Å; F230-F314 HydrophobicContact CE2-CZ 4.33Å; F230-F314 AromaticContact CZ-CE2 3.39Å; F230-F314 HydrophobicContact CZ-CE2 3.39Å; F230-F314 AromaticContact CZ-CZ 3.23Å; F230-F314 HydrophobicContact CZ-CZ 3.23Å; S312-F314 PolarHBondContact O-N 3.39Å; F314-P316 HydrophobicContact CE1-CB 3.81Å; F314-P316 HydrophobicContact CE1-CG 4.23Å; F314-P316 VanDerWaalsContact CZ-CA 3.44Å; F314-P316 HydrophobicContact CZ-CB 3.69Å; F314-N321 HydrophobicContact CD2-CB 4.44Å; F314-N321 WeakPolarHBondContact CD2-OD1 3.35Å; F314-Y324 HydrophobicContact CB-CD2 4.49Å; F314-Y324 AromaticContact CD2-CD2 3.52Å; F314-Y324 HydrophobicContact CD2-CD2 3.52Å; F314-Y324 AromaticContact CD2-CE2 3.85Å; F314-Y324 HydrophobicContact CD2-CE2 3.85Å; F314-Y324 HydrophobicContact CE2-CD2 4.08Å; F314-Y324 HydrophobicContact CE2-CE2 4.09Å; F314-Y324 HydrophobicContact CG-CD2 4.09Å; F314-Y324 HydrophobicContact CG-CE2 4.26Å
315N75.3Confident63.3Low77 Ų7783.4 Ų83.441%0.41247%0.468SS..  trans-108.2107.3173.5-177.3-3.9000109.3I313 S317 S318 N321I313-N315 PolarHBondContact O-N 2.74Å; N315-S317 PolarHBondContact O-N 3.27Å; N315-S317 VanDerWaalsContact O-N 3.13Å; N315-S317 WeakPolarHBondContact OD1-CB 3.4Å; N315-S317 PolarHBondContact OD1-N 2.92Å; N315-S318 WeakPolarHBondContact O-CB 3.39Å; N315-S318 PolarHBondContact O-N 3.28Å; N315-N321 PolarHBondContact N-OD1 3.24Å; N315-N321 PolarHBondContact O-ND2 3.07Å; N315-N321 VanDerWaalsContact O-ND2 3.12Å; N315-N321 PolarHBondContact O-OD1 3.39Å
316P70.5Confident65.6Low75 Ų7575.9 Ų75.949%0.48744%0.436SS..THydrogen-bonded Turntrans-62.3-21.4-178.523.9-32.2000113.8F314F314-P316 HydrophobicContact CE1-CB 3.81Å; F314-P316 HydrophobicContact CE1-CG 4.23Å; F314-P316 VanDerWaalsContact CZ-CA 3.44Å; F314-P316 HydrophobicContact CZ-CB 3.69Å
317S76.2Confident67.9Low107 Ų10773.8 Ų73.875%0.74842%0.42SS*.THydrogen-bonded Turntrans-88-8.2178-46.40000113.1N315N315-S317 PolarHBondContact O-N 3.27Å; N315-S317 VanDerWaalsContact O-N 3.13Å; N315-S317 WeakPolarHBondContact OD1-CB 3.4Å; N315-S317 PolarHBondContact OD1-N 2.92Å
318S89Confident69.7Low22 Ų2275 Ų7515%0.15443%0.429CS..  trans-92141.8-178.3-177.10000111.7N315 I320 N321N315-S318 WeakPolarHBondContact O-CB 3.39Å; N315-S318 PolarHBondContact O-N 3.28Å; S318-I320 VanDerWaalsContact C-N 3.29Å; S318-I320 PolarHBondContact OG-N 3.29Å; S318-I320 PolarHBondContact OG-O 2.98Å; S318-N321 PolarHBondContact O-ND2 2.97Å
319V93.2Very high71.3Confident9 Ų971.3 Ų71.36%0.05542%0.415CS..SBendtrans-84.6-5.2167.9-64.30000112.7L63 K86 V88 P364 F366 I367L63-V319 HydrophobicContact CD2-CB 3.76Å; L63-V319 HydrophobicContact CD2-CG1 3.88Å; L63-V319 HydrophobicContact CG-CB 4.3Å; L63-V319 HydrophobicContact CG-CG1 3.93Å; K86-V319 WeakPolarHBondContact O-CG2 3.46Å; V88-V319 HydrophobicContact CG2-CB 4.38Å; V88-V319 HydrophobicContact CG2-CG2 4.05Å; V319-P364 HydrophobicContact CG1-CB 4.3Å; V319-P364 HydrophobicContact CG1-CG 4.46Å; V319-F366 CarbonylContact O-C 3.23Å; V319-F366 WeakPolarHBondContact O-CA 3.35Å; V319-F366 VanDerWaalsContact O-CB 3.31Å; V319-F366 WeakPolarHBondContact O-CB 3.37Å; V319-I367 PolarHBondContact O-N 3.4Å
320I94.5Very high72.6Confident23 Ų2366.8 Ų66.812%0.11839%0.385CS..BIsolated β-bridgetrans-119.8109.7177.7-65.4150.5000108.1D85 V88 Y91 S318 I322 I367D85-I320 WeakPolarHBondContact O-CD1 3.27Å; V88-I320 HydrophobicContact CG2-CG1 4.41Å; Y91-I320 HydrophobicContact CD1-CD1 4.44Å; Y91-I320 HydrophobicContact CD1-CG1 4.34Å; Y91-I320 HydrophobicContact CD1-CG2 4.16Å; Y91-I320 HydrophobicContact CD2-CD1 4.09Å; Y91-I320 HydrophobicContact CD2-CG2 4.13Å; Y91-I320 HydrophobicContact CE1-CG2 4.08Å; Y91-I320 HydrophobicContact CE2-CG2 4.09Å; Y91-I320 HydrophobicContact CG-CD1 3.76Å; Y91-I320 HydrophobicContact CG-CG1 4.14Å; Y91-I320 HydrophobicContact CG-CG2 4.19Å; S318-I320 VanDerWaalsContact C-N 3.29Å; S318-I320 PolarHBondContact OG-N 3.29Å; S318-I320 PolarHBondContact OG-O 2.98Å; I320-I322 HydrophobicContact CG2-CG1 4.12Å; I320-I367 HydrophobicContact CG1-CD1 4.24Å
321N93.9Very high73.9Confident7 Ų765.8 Ų65.84%0.03738%0.375CS..  trans-135.156.6-177.5-79.7-74.8000110.2F314 N315 S318 G323 Y324 F366 I367F314-N321 HydrophobicContact CD2-CB 4.44Å; F314-N321 WeakPolarHBondContact CD2-OD1 3.35Å; N315-N321 PolarHBondContact N-OD1 3.24Å; N315-N321 PolarHBondContact O-ND2 3.07Å; N315-N321 VanDerWaalsContact O-ND2 3.12Å; N315-N321 PolarHBondContact O-OD1 3.39Å; S318-N321 PolarHBondContact O-ND2 2.97Å; N321-G323 PolarHBondContact O-N 3.06Å; N321-Y324 WeakPolarHBondContact O-CB 3.4Å; N321-Y324 PolarHBondContact O-N 2.96Å; N321-Y324 VanDerWaalsContact O-N 3.09Å; N321-F366 HydrophobicContact CB-CD2 3.82Å; N321-F366 HydrophobicContact CB-CE2 4.38Å; N321-F366 HydrophobicContact CB-CG 4.48Å; N321-I367 CarbonylContact C-O 3.4Å; N321-I367 VanDerWaalsContact C-O 3.23Å; N321-I367 WeakPolarHBondContact CA-O 3.47Å; N321-I367 PolarHBondContact N-O 2.57Å
322I91.2Very high75Confident64 Ų6463.9 Ų63.933%0.32836%0.361SS..THydrogen-bonded Turntrans-58.1133-178-59.3-59.9000111.1Y91 S312 I320 Y324 I367 L370Y91-I322 HydrophobicContact CE1-CD1 4.03Å; Y91-I322 HydrophobicContact CE1-CG1 3.98Å; S312-I322 PolarHBondContact OG-O 3.35Å; I320-I322 HydrophobicContact CG2-CG1 4.12Å; I322-Y324 VanDerWaalsContact C-N 3.29Å; I322-I367 HydrophobicContact CD1-CB 4.35Å; I322-I367 HydrophobicContact CD1-CG2 3.87Å; I322-L370 HydrophobicContact CD1-CB 4.16Å
323G85.5Confident76.4Confident37 Ų3762.9 Ų62.938%0.38135%0.354SS..THydrogen-bonded Turntrans84.8-2.8-178.300000114.3N321 T325 I368N321-G323 PolarHBondContact O-N 3.06Å; G323-T325 PolarHBondContact O-N 3.27Å; G323-I368 PolarHBondContact N-O 2.87Å
324Y85.4Confident77.5Confident23 Ų2359.1 Ų59.19%0.0933%0.329CS..  trans-57123.8170.8177.8-90.6000110.1F314 N321 I322 L326 F366 I368F314-Y324 HydrophobicContact CB-CD2 4.49Å; F314-Y324 AromaticContact CD2-CD2 3.52Å; F314-Y324 HydrophobicContact CD2-CD2 3.52Å; F314-Y324 AromaticContact CD2-CE2 3.85Å; F314-Y324 HydrophobicContact CD2-CE2 3.85Å; F314-Y324 HydrophobicContact CE2-CD2 4.08Å; F314-Y324 HydrophobicContact CE2-CE2 4.09Å; F314-Y324 HydrophobicContact CG-CD2 4.09Å; F314-Y324 HydrophobicContact CG-CE2 4.26Å; N321-Y324 WeakPolarHBondContact O-CB 3.4Å; N321-Y324 PolarHBondContact O-N 2.96Å; N321-Y324 VanDerWaalsContact O-N 3.09Å; I322-Y324 VanDerWaalsContact C-N 3.29Å; Y324-L326 HydrophobicContact CE1-CD2 4.16Å; Y324-F366 AromaticContact CD1-CE2 3.83Å; Y324-F366 HydrophobicContact CD1-CE2 3.83Å; Y324-F366 HydrophobicContact CD1-CZ 4.31Å; Y324-F366 HydrophobicContact CE1-CE2 4.17Å; Y324-F366 HydrophobicContact CE1-CZ 4.18Å; Y324-F366 HydrophobicContact CG-CE2 4.1Å; Y324-I368 HydrophobicContact CD1-CG2 3.87Å; Y324-I368 HydrophobicContact CG-CG2 4.31Å
325T81.4Confident78.1Confident88 Ų8859 Ų5954%0.5434%0.341SS..  trans-104.3127.1178.153.50000109.9G323G323-T325 PolarHBondContact O-N 3.27Å
326L74.6Confident78.2Confident41 Ų4156.4 Ų56.422%0.21533%0.327CS..  trans-58142.5171.5-72.4164.5000110.3I232 Y324I232-L326 HydrophobicContact CD1-CD2 3.82Å; Y324-L326 HydrophobicContact CE1-CD2 4.16Å
327P73.3Confident78.6Confident57 Ų5752.9 Ų52.937%0.3730%0.304SS..  trans-50.5140.1179.9-28.434.5000113.1S329 F330P327-S329 PolarHBondContact O-N 3.08Å; P327-S329 VanDerWaalsContact O-N 3.16Å; P327-F330 WeakPolarHBondContact O-CB 3.03Å; P327-F330 PolarHBondContact O-N 2.82Å
328K66.2Low78.8Confident188 Ų18852.3 Ų52.382%0.81730%0.296SS*.THydrogen-bonded Turntrans-62.1-25.2179.8-68.6179.5-177.3171.40113.4R265 F330R265-K328 PolarHBondContact NH1-O 3.35Å; R265-K328 PolarHBondContact NH2-O 2.88Å; K328-F330 PolarHBondContact O-N 2.82Å
329S62.7Low78.5Confident70 Ų7056 Ų5649%0.4931%0.311SS..THydrogen-bonded Turntrans-66.4-4172.952.40000113.6P327 H331P327-S329 PolarHBondContact O-N 3.08Å; P327-S329 VanDerWaalsContact O-N 3.16Å; S329-H331 PolarHBondContact O-CD2 3.03Å; S329-H331 PolarHBondContact O-N 3.08Å
330F60.2Low77.9Confident21 Ų2155.6 Ų55.69%0.09231%0.309CS..  trans-6891.9179.9-161.3-108.4000112I114 I232 R265 P327 K328 F332I114-F330 HydrophobicContact CG2-CE1 4.41Å; I114-F330 HydrophobicContact CG2-CZ 3.92Å; I232-F330 HydrophobicContact CB-CE2 4.16Å; I232-F330 HydrophobicContact CB-CZ 4.44Å; I232-F330 HydrophobicContact CG2-CD2 4.48Å; I232-F330 HydrophobicContact CG2-CE1 4.4Å; I232-F330 HydrophobicContact CG2-CE2 3.27Å; I232-F330 HydrophobicContact CG2-CZ 3.2Å; R265-F330 PolarHBondContact NH2-O 3.34Å; P327-F330 WeakPolarHBondContact O-CB 3.03Å; P327-F330 PolarHBondContact O-N 2.82Å; K328-F330 PolarHBondContact O-N 2.82Å; F330-F332 HydrophobicContact CD1-CB 4.34Å; F330-F332 VanDerWaalsContact CD1-O 3.24Å; F330-F332 WeakPolarHBondContact CD1-O 3.24Å; F330-F332 HydrophobicContact CE1-CB 3.84Å; F330-F332 HydrophobicContact CE1-CD1 4.47Å; F330-F332 WeakPolarHBondContact CE1-O 3.12Å; F330-F332 HydrophobicContact CE2-CB 4.29Å; F330-F332 HydrophobicContact CZ-CB 3.78Å; F330-F332 AromaticContact CZ-CD1 3.99Å; F330-F332 HydrophobicContact CZ-CD1 3.99Å; F330-F332 HydrophobicContact CZ-CG 4.41Å; F330-F332 PolarHBondContact O-N 2.94Å; F330-F332 VanDerWaalsContact O-N 3.13Å
331H62.1Low77.3Confident134 Ų13456.3 Ų56.362%0.6231%0.312SS*.  trans-76.811.9-177.1-74.4-76.7000114.6Y236 S329Y236-H331 HydrophobicContact CE1-CB 4.47Å; S329-H331 PolarHBondContact O-CD2 3.03Å; S329-H331 PolarHBondContact O-N 3.08Å
332F69.1Low76.7Confident11 Ų1160 Ų605%0.04834%0.337CS..  trans-124.2141-161.4-165.6-124.5000112.7I114 L118 Y236 F330 L336 L337I114-F332 HydrophobicContact CD1-CD1 3.58Å; I114-F332 HydrophobicContact CD1-CE1 3.74Å; I114-F332 HydrophobicContact CD1-CG 4.47Å; I114-F332 HydrophobicContact CG1-CD1 4.19Å; I114-F332 HydrophobicContact CG1-CE1 3.98Å; I114-F332 HydrophobicContact CG2-CD1 4.42Å; L118-F332 HydrophobicContact CD1-CE1 3.81Å; L118-F332 HydrophobicContact CD1-CZ 4.15Å; L118-F332 HydrophobicContact CD2-CE1 4.21Å; L118-F332 HydrophobicContact CD2-CZ 3.81Å; L118-F332 HydrophobicContact CG-CE1 4.1Å; L118-F332 HydrophobicContact CG-CZ 4.22Å; Y236-F332 HydrophobicContact CD1-CB 4.32Å; Y236-F332 HydrophobicContact CD2-CB 4.02Å; Y236-F332 AromaticContact CD2-CD1 3.83Å; Y236-F332 HydrophobicContact CD2-CD1 3.83Å; Y236-F332 AromaticContact CD2-CD2 3.32Å; Y236-F332 HydrophobicContact CD2-CD2 3.32Å; Y236-F332 AromaticContact CD2-CE1 3.92Å; Y236-F332 HydrophobicContact CD2-CE1 3.92Å; Y236-F332 AromaticContact CD2-CE2 3.44Å; Y236-F332 HydrophobicContact CD2-CE2 3.44Å; Y236-F332 VanDerWaalsContact CD2-CE2 3.44Å; Y236-F332 AromaticContact CD2-CG 3.48Å; Y236-F332 HydrophobicContact CD2-CG 3.48Å; Y236-F332 VanDerWaalsContact CD2-CG 3.48Å; Y236-F332 AromaticContact CD2-CZ 3.66Å; Y236-F332 HydrophobicContact CD2-CZ 3.66Å; Y236-F332 HydrophobicContact CE1-CB 4.24Å; Y236-F332 HydrophobicContact CE2-CB 3.99Å; Y236-F332 HydrophobicContact CE2-CD1 4.33Å; Y236-F332 AromaticContact CE2-CD2 2.96Å; Y236-F332 HydrophobicContact CE2-CD2 2.96Å; Y236-F332 AromaticContact CE2-CE2 3.22Å; Y236-F332 HydrophobicContact CE2-CE2 3.22Å; Y236-F332 AromaticContact CE2-CG 3.55Å; Y236-F332 HydrophobicContact CE2-CG 3.55Å; Y236-F332 AromaticContact CE2-CZ 3.95Å; Y236-F332 HydrophobicContact CE2-CZ 3.95Å; Y236-F332 HydrophobicContact CG-CB 4.17Å; Y236-F332 HydrophobicContact CG-CD1 4.31Å; Y236-F332 HydrophobicContact CG-CD2 4.28Å; Y236-F332 HydrophobicContact CG-CG 4.05Å; Y236-F332 AromaticContact CZ-CD2 3.65Å; F330-F332 HydrophobicContact CD1-CB 4.34Å; F330-F332 VanDerWaalsContact CD1-O 3.24Å; F330-F332 WeakPolarHBondContact CD1-O 3.24Å; F330-F332 HydrophobicContact CE1-CB 3.84Å; F330-F332 HydrophobicContact CE1-CD1 4.47Å; F330-F332 WeakPolarHBondContact CE1-O 3.12Å; F330-F332 HydrophobicContact CE2-CB 4.29Å; F330-F332 HydrophobicContact CZ-CB 3.78Å; F330-F332 AromaticContact CZ-CD1 3.99Å; F330-F332 HydrophobicContact CZ-CD1 3.99Å; F330-F332 HydrophobicContact CZ-CG 4.41Å; F330-F332 PolarHBondContact O-N 2.94Å; F330-F332 VanDerWaalsContact O-N 3.13Å; F332-L336 HydrophobicContact CD2-CD2 3.64Å; F332-L336 HydrophobicContact CE2-CD2 3.61Å; F332-L337 HydrophobicContact CE1-CD1 3.39Å; F332-L337 HydrophobicContact CE1-CG 3.87Å; F332-L337 HydrophobicContact CE2-CD1 4.26Å; F332-L337 HydrophobicContact CE2-CD2 4.17Å; F332-L337 HydrophobicContact CE2-CG 3.76Å; F332-L337 HydrophobicContact CZ-CD1 3.23Å; F332-L337 HydrophobicContact CZ-CD2 3.59Å; F332-L337 HydrophobicContact CZ-CG 3.17Å
333S77.8Confident76.2Confident53 Ų5360.2 Ų60.237%0.37134%0.338SS..  trans-141.8157.4179.2790000110.7I114 G335 L336 L337I114-S333 VanDerWaalsContact CD1-C 3.41Å; S333-G335 VanDerWaalsContact C-N 3.3Å; S333-G335 PolarHBondContact O-N 2.88Å; S333-L336 WeakPolarHBondContact O-CB 3.34Å; S333-L336 PolarHBondContact O-N 2.96Å; S333-L336 PolarHBondContact OG-N 3.27Å; S333-L337 PolarHBondContact O-N 3.3Å
334R78.5Confident76Confident86 Ų8658.5 Ų58.533%0.32532%0.32SS..Hα-helixtrans-58.2-42.6177.2-78.7-178158.692.1-6.5112.5E112 I114 L336 L337 T338E112-R334 PolarHBondContact O-NH2 3.01Å; I114-R334 HydrophobicContact CD1-CB 4.42Å; I114-R334 HydrophobicContact CD1-CG 3.83Å; I114-R334 VanDerWaalsContact CD1-N 3.33Å; I114-R334 HydrophobicContact CG1-CG 3.99Å; R334-L336 PolarHBondContact O-N 2.88Å; R334-L337 PolarHBondContact O-N 3.04Å; R334-T338 PolarHBondContact O-N 3.41Å; R334-T338 PolarHBondContact O-OG1 3.32Å; R334-T338 VanDerWaalsContact O-OG1 3.08Å
335G79.6Confident75.6Confident45 Ų4562 Ų6246%0.46434%0.336SS..Hα-helixtrans-58.7-36.2-18000000112.2S333 T338 E339S333-G335 VanDerWaalsContact C-N 3.3Å; S333-G335 PolarHBondContact O-N 2.88Å; G335-T338 PolarHBondContact O-N 2.77Å; G335-E339 PolarHBondContact O-N 3.16Å
336L77Confident75.2Confident23 Ų2361.8 Ų61.812%0.1233%0.332CS..Hα-helixtrans-67.7-36.2177.3-172.4133.5000112.3W254 F332 S333 R334 L340W254-L336 HydrophobicContact CH2-CD2 3.35Å; W254-L336 HydrophobicContact CH2-CG 4.06Å; W254-L336 HydrophobicContact CZ2-CD1 4.28Å; W254-L336 HydrophobicContact CZ2-CD2 3.29Å; W254-L336 HydrophobicContact CZ2-CG 3.52Å; F332-L336 HydrophobicContact CD2-CD2 3.64Å; F332-L336 HydrophobicContact CE2-CD2 3.61Å; S333-L336 WeakPolarHBondContact O-CB 3.34Å; S333-L336 PolarHBondContact O-N 2.96Å; S333-L336 PolarHBondContact OG-N 3.27Å; R334-L336 PolarHBondContact O-N 2.88Å; L336-L340 PolarHBondContact O-N 3.29Å
337L79.2Confident75.2Confident2 Ų260.8 Ų60.81%0.0133%0.326CS..Hα-helixtrans-70.4-36.1172.2-85.5169.8000113.3I114 M117 L118 F239 F332 S333 R334 E339 L340 I341I114-L337 HydrophobicContact CD1-CD1 4.3Å; I114-L337 HydrophobicContact CG1-CD1 3.96Å; M117-L337 HydrophobicContact CB-CD1 4.37Å; M117-L337 HydrophobicContact CE-CB 3.27Å; M117-L337 HydrophobicContact CE-CD1 3.21Å; M117-L337 HydrophobicContact CE-CG 3.82Å; L118-L337 HydrophobicContact CD2-CD1 4.09Å; L118-L337 HydrophobicContact CD2-CD2 3.78Å; L118-L337 HydrophobicContact CG-CD1 4.29Å; F239-L337 HydrophobicContact CE1-CD2 4.14Å; F332-L337 HydrophobicContact CE1-CD1 3.39Å; F332-L337 HydrophobicContact CE1-CG 3.87Å; F332-L337 HydrophobicContact CE2-CD1 4.26Å; F332-L337 HydrophobicContact CE2-CD2 4.17Å; F332-L337 HydrophobicContact CE2-CG 3.76Å; F332-L337 HydrophobicContact CZ-CD1 3.23Å; F332-L337 HydrophobicContact CZ-CD2 3.59Å; F332-L337 HydrophobicContact CZ-CG 3.17Å; S333-L337 PolarHBondContact O-N 3.3Å; R334-L337 PolarHBondContact O-N 3.04Å; L337-E339 PolarHBondContact O-N 2.97Å; L337-L340 HydrophobicContact CD2-CD2 4.37Å; L337-L340 PolarHBondContact O-N 3.16Å; L337-I341 HydrophobicContact CB-CD1 4.09Å; L337-I341 HydrophobicContact CD2-CD1 4.44Å; L337-I341 HydrophobicContact CD2-CG1 4.32Å; L337-I341 WeakPolarHBondContact O-CB 3.37Å; L337-I341 VanDerWaalsContact O-CG1 3.23Å; L337-I341 WeakPolarHBondContact O-CG1 3.37Å; L337-I341 PolarHBondContact O-N 3.43Å
338T81.3Confident75.6Confident94 Ų9459.8 Ų59.858%0.57732%0.32SS*.Hα-helixtrans-59.9-32.6177.8-51.80000111.7R334 G335 P342R334-T338 PolarHBondContact O-N 3.41Å; R334-T338 PolarHBondContact O-OG1 3.32Å; R334-T338 VanDerWaalsContact O-OG1 3.08Å; G335-T338 PolarHBondContact O-N 2.77Å; T338-P342 WeakPolarHBondContact O-CD 3.47Å
339E81.7Confident76.3Confident101 Ų10151.8 Ų51.847%0.47229%0.286SS..Hα-helixtrans-72.4-35.3171.5-67.1-176.9-172.400113.3R257 G335 L337R257-E339 IonicContact CZ-OE2 3.97Å; R257-E339 IonicContact NH1-OE2 3.26Å; R257-E339 PolarHBondContact NH1-OE2 2.94Å; R257-E339 VanDerWaalsContact NH1-OE2 3.13Å; R257-E339 IonicContact NH2-OE2 3.84Å; R257-E339 PolarHBondContact NH2-OE2 3.05Å; G335-E339 PolarHBondContact O-N 3.16Å; L337-E339 PolarHBondContact O-N 2.97Å
340L81.1Confident77.2Confident0 Ų055.4 Ų55.40%030%0.296CS..Hα-helixtrans-84.7-40.3-171.7-178.869.7000113.6F239 L243 W254 L336 L337 P342 L343 L344F239-L340 HydrophobicContact CE1-CD2 3.38Å; F239-L340 HydrophobicContact CZ-CD2 3.71Å; L243-L340 HydrophobicContact CD1-CD2 3.73Å; W254-L340 HydrophobicContact CD2-CD1 3.87Å; W254-L340 HydrophobicContact CE3-CD1 3.97Å; W254-L340 HydrophobicContact CG-CD1 4.31Å; W254-L340 HydrophobicContact CH2-CB 4.42Å; W254-L340 HydrophobicContact CH2-CD1 4.28Å; W254-L340 HydrophobicContact CH2-CD2 3.82Å; W254-L340 HydrophobicContact CH2-CG 4.4Å; W254-L340 HydrophobicContact CZ2-CB 3.82Å; W254-L340 HydrophobicContact CZ2-CD1 4.16Å; W254-L340 HydrophobicContact CZ2-CD2 4.07Å; W254-L340 HydrophobicContact CZ2-CG 4.23Å; W254-L340 HydrophobicContact CZ3-CD1 4.2Å; W254-L340 HydrophobicContact CZ3-CD2 4.22Å; L336-L340 PolarHBondContact O-N 3.29Å; L337-L340 HydrophobicContact CD2-CD2 4.37Å; L337-L340 PolarHBondContact O-N 3.16Å; L340-P342 VanDerWaalsContact C-CD 3.48Å; L340-L343 HydrophobicContact CD1-CD1 4.4Å; L340-L343 WeakPolarHBondContact O-CA 3.34Å; L340-L343 VanDerWaalsContact O-CB 3.28Å; L340-L343 WeakPolarHBondContact O-CB 3.44Å; L340-L343 PolarHBondContact O-N 3.19Å; L340-L344 HydrophobicContact CD2-CD1 4.1Å; L340-L344 HydrophobicContact CG-CD1 3.92Å; L340-L344 HydrophobicContact CG-CG 4.31Å; L340-L344 PolarHBondContact O-N 3.37Å
341I81.4Confident78.3Confident37 Ų3754.4 Ų54.419%0.1929%0.291CS..THydrogen-bonded Turntrans-53.6-43.2-174.7-76.6170.4000112.9M117 R163 L337 L343 L344 K345M117-I341 HydrophobicContact CE-CD1 3.77Å; M117-I341 HydrophobicContact CG-CD1 3.56Å; M117-I341 HydrophobicContact SD-CD1 3.42Å; M117-I341 WeakPolarHBondContact SD-CD1 2.98Å; R163-I341 PolarHBondContact NH2-O 2.89Å; L337-I341 HydrophobicContact CB-CD1 4.09Å; L337-I341 HydrophobicContact CD2-CD1 4.44Å; L337-I341 HydrophobicContact CD2-CG1 4.32Å; L337-I341 WeakPolarHBondContact O-CB 3.37Å; L337-I341 VanDerWaalsContact O-CG1 3.23Å; L337-I341 WeakPolarHBondContact O-CG1 3.37Å; L337-I341 PolarHBondContact O-N 3.43Å; I341-L343 VanDerWaalsContact C-N 3.27Å; I341-L343 PolarHBondContact O-N 3.48Å; I341-L344 CarbonylContact O-C 3.42Å; I341-L344 PolarHBondContact O-N 2.94Å; I341-K345 PolarHBondContact O-N 2.66Å
342P82.3Confident79.3Confident86 Ų8650.9 Ų50.956%0.55828%0.277SS*.THydrogen-bonded Turntrans-61.1-34175.5-2535.4000113.5T338 L340 L344 K345T338-P342 WeakPolarHBondContact O-CD 3.47Å; L340-P342 VanDerWaalsContact C-CD 3.48Å; P342-L344 PolarHBondContact O-N 3.43Å; P342-K345 PolarHBondContact O-N 2.97Å
343L80.8Confident80.2Confident68 Ų6851.5 Ų51.536%0.35628%0.279SS..THydrogen-bonded Turntrans-64.9-32.7176.1-58.2176.8000110.7L340 I341 I347L340-L343 HydrophobicContact CD1-CD1 4.4Å; L340-L343 WeakPolarHBondContact O-CA 3.34Å; L340-L343 VanDerWaalsContact O-CB 3.28Å; L340-L343 WeakPolarHBondContact O-CB 3.44Å; L340-L343 PolarHBondContact O-N 3.19Å; I341-L343 VanDerWaalsContact C-N 3.27Å; I341-L343 PolarHBondContact O-N 3.48Å; L343-I347 WeakPolarHBondContact O-CD1 3.23Å; L343-I347 WeakPolarHBondContact O-CG1 2.91Å
344L81Confident80.5Confident0 Ų049.1 Ų49.10%026%0.262CS..THydrogen-bonded Turntrans-88.69.3-178.3-59.2174.6000114.3Q121 R163 F239 L243 I251 L340 I341 P342 D346 I347 L349Q121-L344 HydrophobicContact CG-CD1 3.95Å; R163-L344 PolarHBondContact NH1-O 3.45Å; F239-L344 HydrophobicContact CE2-CD1 4.05Å; F239-L344 HydrophobicContact CZ-CD1 3.52Å; L243-L344 HydrophobicContact CD2-CD1 4.32Å; L243-L344 HydrophobicContact CD2-CD2 3.89Å; I251-L344 HydrophobicContact CD1-CD2 3.71Å; I251-L344 HydrophobicContact CG1-CD2 4.45Å; L340-L344 HydrophobicContact CD2-CD1 4.1Å; L340-L344 HydrophobicContact CG-CD1 3.92Å; L340-L344 HydrophobicContact CG-CG 4.31Å; L340-L344 PolarHBondContact O-N 3.37Å; I341-L344 CarbonylContact O-C 3.42Å; I341-L344 PolarHBondContact O-N 2.94Å; P342-L344 PolarHBondContact O-N 3.43Å; L344-D346 PolarHBondContact O-N 3.06Å; L344-I347 HydrophobicContact CD2-CD1 4.26Å; L344-L349 HydrophobicContact CD2-CD1 4.2Å; L344-L349 HydrophobicContact CD2-CD2 4.25Å; L344-L349 HydrophobicContact CD2-CG 4.43Å
345K76.2Confident80.7Confident96 Ų9651 Ų5142%0.41727%0.269SS..THydrogen-bonded Turntrans-61.1-36.9-179.3-165.9174.9177.4-173.20112.1N160 I341 P342N160-K345 WeakPolarHBondContact OD1-CG 3.25Å; N160-K345 PolarHBondContact OD1-O 3.01Å; I341-K345 PolarHBondContact O-N 2.66Å; P342-K345 PolarHBondContact O-N 2.97Å
346D72.3Confident80.8Confident84 Ų8454.8 Ų54.845%0.44927%0.273SS..THydrogen-bonded Turntrans-120.919.3-171.6-67-47.8000114.2K156 N160 L344K156-D346 VanDerWaalsContact CE-CA 3.47Å; K156-D346 WeakPolarHBondContact CE-O 3.14Å; K156-D346 PolarHBondContact NZ-O 2.99Å; K156-D346 IonicContact NZ-OD1 2.7Å; N160-D346 PolarHBondContact ND2-OD1 3.18Å; L344-D346 PolarHBondContact O-N 3.06Å
347I76.1Confident80.8Confident21 Ų2154.6 Ų54.611%0.10827%0.273CS..  trans-114.6120.4-173.2-56.9173.1000108.9L248 I251 L343 L344 L349L248-I347 HydrophobicContact CD1-CB 4.1Å; L248-I347 HydrophobicContact CD1-CD1 3.21Å; L248-I347 HydrophobicContact CD1-CG1 3.4Å; L248-I347 HydrophobicContact CD1-CG2 3.57Å; I251-I347 HydrophobicContact CD1-CD1 3.62Å; I251-I347 HydrophobicContact CD1-CG2 4.4Å; I251-I347 HydrophobicContact CG1-CD1 4.35Å; L343-I347 WeakPolarHBondContact O-CD1 3.23Å; L343-I347 WeakPolarHBondContact O-CG1 2.91Å; L344-I347 HydrophobicContact CD2-CD1 4.26Å; I347-L349 HydrophobicContact CG2-CD2 3.98Å; I347-L349 HydrophobicContact CG2-CG 4.45Å
348C80.7Confident80.3Confident36 Ų3656.6 Ų56.624%0.24329%0.287CS..  trans-85.5109.1163.7162.40000107.5D125 I128 C129 I132 Q350D125-C348 VanDerWaalsContact OD1-C 3.3Å; D125-C348 WeakPolarHBondContact OD1-CA 3.42Å; I128-C348 HydrophobicContact CG2-CB 3.93Å; C129-C348 WeakPolarHBondContact CB-SG 3.4Å; C129-C348 WeakPolarHBondContact SG-CB 3.23Å; C129-C348 CovalentContact SG-SG 2.06Å; C129-C348 PolarHBondContact SG-SG 2.97Å; I132-C348 HydrophobicContact CD1-CB 4.05Å; C348-Q350 WeakPolarHBondContact SG-CG 3.45Å
349L81.5Confident79.4Confident19 Ų1955.8 Ų55.810%0.09929%0.285CS..  trans-74.7-8.2169.9-63.3177.2000112.5D125 F239 L243 I251 L344 I347 S351D125-L349 PolarHBondContact OD1-N 3.44Å; F239-L349 HydrophobicContact CE2-CD1 4.34Å; L243-L349 HydrophobicContact CD2-CD1 4.13Å; L243-L349 HydrophobicContact CD2-CD2 4.25Å; I251-L349 HydrophobicContact CD1-CD2 4.4Å; L344-L349 HydrophobicContact CD2-CD1 4.2Å; L344-L349 HydrophobicContact CD2-CD2 4.25Å; L344-L349 HydrophobicContact CD2-CG 4.43Å; I347-L349 HydrophobicContact CG2-CD2 3.98Å; I347-L349 HydrophobicContact CG2-CG 4.45Å; L349-S351 PolarHBondContact O-N 3.25Å
350Q81.7Confident78.5Confident147 Ų14755.8 Ų55.869%0.68730%0.296SS*.  trans5539.8-176.5-63.2-178.4-2300112.3D125 C348D125-Q350 PolarHBondContact OD1-N 3.28Å; D125-Q350 PolarHBondContact OD2-N 2.94Å; C348-Q350 WeakPolarHBondContact SG-CG 3.45Å
351S83.6Confident77.8Confident0 Ų060.4 Ų60.40%032%0.321CS..  trans-69.6146.7176.373.30000111F122 D125 L349 R355F122-S351 WeakPolarHBondContact CD1-OG 3.38Å; D125-S351 WeakPolarHBondContact OD2-CA 3.39Å; D125-S351 WeakPolarHBondContact OD2-CB 3.32Å; D125-S351 PolarHBondContact OD2-N 3.31Å; D125-S351 PolarHBondContact OD2-OG 3.24Å; L349-S351 PolarHBondContact O-N 3.25Å; S351-R355 PolarHBondContact O-NH2 2.71Å; S351-R355 VanDerWaalsContact O-NH2 3.12Å
352N83.6Confident77.7Confident60 Ų6059.3 Ų59.332%0.32132%0.317SS..  trans-125.726.5169.662-1.4000110.9Y242 R355 K356Y242-N352 PolarHBondContact OH-OD1 2.94Å; N352-R355 PolarHBondContact O-N 3.04Å; N352-K356 WeakPolarHBondContact ND2-CE 3.31Å; N352-K356 WeakPolarHBondContact O-CG 3.39Å; N352-K356 PolarHBondContact O-N 2.82Å; N352-K356 WeakPolarHBondContact OD1-CE 3.35Å; N352-K356 PolarHBondContact OD1-NZ 3.43Å
353Y86.5Confident78.1Confident24 Ų2456.2 Ų56.29%0.09430%0.297CS..Hα-helixtrans-68.7-44.4-173-176.7-118.9000112.3F122 D235 E238 R355 K356 T357F122-Y353 AromaticContact CD2-CD1 3.58Å; F122-Y353 HydrophobicContact CD2-CD1 3.58Å; F122-Y353 HydrophobicContact CD2-CE1 4.29Å; F122-Y353 HydrophobicContact CD2-CG 4.41Å; F122-Y353 AromaticContact CE2-CD1 3.51Å; F122-Y353 HydrophobicContact CE2-CD1 3.51Å; F122-Y353 HydrophobicContact CE2-CE1 4.02Å; F122-Y353 HydrophobicContact CE2-CG 4.2Å; F122-Y353 HydrophobicContact CG-CD1 4.23Å; F122-Y353 HydrophobicContact CZ-CD1 4.1Å; F122-Y353 HydrophobicContact CZ-CG 4.35Å; D235-Y353 HydrophobicContact CB-CE1 4.5Å; D235-Y353 VanDerWaalsContact OD1-CE1 3.3Å; D235-Y353 WeakPolarHBondContact OD1-CE1 3.2Å; D235-Y353 VanDerWaalsContact OD1-CZ 3.32Å; D235-Y353 PolarHBondContact OD1-OH 3Å; E238-Y353 HydrophobicContact CB-CD2 4.08Å; E238-Y353 HydrophobicContact CB-CE2 3.91Å; E238-Y353 HydrophobicContact CG-CD2 3.36Å; E238-Y353 HydrophobicContact CG-CE2 3.71Å; E238-Y353 HydrophobicContact CG-CG 3.81Å; Y353-R355 VanDerWaalsContact C-N 3.26Å; Y353-R355 PolarHBondContact O-N 3.41Å; Y353-K356 PolarHBondContact O-N 2.83Å; Y353-K356 VanDerWaalsContact O-N 3.15Å; Y353-T357 HydrophobicContact CD1-CG2 4.46Å; Y353-T357 HydrophobicContact CD2-CG2 4.37Å; Y353-T357 HydrophobicContact CE1-CG2 4.09Å; Y353-T357 HydrophobicContact CE2-CG2 4.01Å; Y353-T357 WeakPolarHBondContact O-CG2 3.46Å; Y353-T357 PolarHBondContact O-N 3.49Å; Y353-T357 PolarHBondContact O-OG1 2.8Å
354L84.9Confident78.6Confident2 Ų254.5 Ų54.51%0.0129%0.29CS..Hα-helixtrans-68.5-30178.7-63.3179.4000111.5F16 K52 R119 F122 L123 E126 T357F16-L354 HydrophobicContact CD1-CB 4.37Å; K52-L354 PolarHBondContact NZ-O 2.99Å; R119-L354 HydrophobicContact CB-CD2 4.32Å; R119-L354 HydrophobicContact CG-CD2 4.4Å; F122-L354 HydrophobicContact CB-CD1 4.12Å; F122-L354 HydrophobicContact CB-CG 3.95Å; L123-L354 HydrophobicContact CB-CD1 3.71Å; L123-L354 HydrophobicContact CD1-CD1 4.23Å; E126-L354 PolarHBondContact OE1-N 2.69Å; L354-T357 WeakPolarHBondContact CA-OG1 3.45Å; L354-T357 PolarHBondContact O-OG1 3.01Å
355R82.5Confident79.3Confident126 Ų12654.5 Ų54.548%0.47529%0.29SS..Hα-helixtrans-64.5-42168.5-74-175.8-85.1-97.3-1.7113.6F16 E126 S351 N352 Y353F16-R355 HydrophobicContact CE1-CG 3.61Å; F16-R355 HydrophobicContact CZ-CG 4.25Å; E126-R355 IonicContact OE1-CZ 3.7Å; E126-R355 PolarHBondContact OE1-N 2.8Å; E126-R355 IonicContact OE1-NE 3.41Å; S351-R355 PolarHBondContact O-NH2 2.71Å; S351-R355 VanDerWaalsContact O-NH2 3.12Å; N352-R355 PolarHBondContact O-N 3.04Å; Y353-R355 VanDerWaalsContact C-N 3.26Å; Y353-R355 PolarHBondContact O-N 3.41Å
356K81.7Confident80.2Confident124 Ų12450 Ų5054%0.53927%0.27SS..Hα-helixtrans-73.6-27.8-178.9-76.8170.6174.3163.10113.9N352 Y353 S358N352-K356 WeakPolarHBondContact ND2-CE 3.31Å; N352-K356 WeakPolarHBondContact O-CG 3.39Å; N352-K356 PolarHBondContact O-N 2.82Å; N352-K356 WeakPolarHBondContact OD1-CE 3.35Å; N352-K356 PolarHBondContact OD1-NZ 3.43Å; Y353-K356 PolarHBondContact O-N 2.83Å; Y353-K356 VanDerWaalsContact O-N 3.15Å; K356-S358 PolarHBondContact O-N 3.05Å
357T76.4Confident81.4Confident20 Ų2046 Ų4612%0.12325%0.249CC..SBendtrans-68.7114.7178.148.10000109.8K52 Y353 L354K52-T357 WeakPolarHBondContact CE-O 3.35Å; K52-T357 PolarHBondContact NZ-O 3.13Å; K52-T357 PolarHBondContact NZ-OG1 2.98Å; Y353-T357 HydrophobicContact CD1-CG2 4.46Å; Y353-T357 HydrophobicContact CD2-CG2 4.37Å; Y353-T357 HydrophobicContact CE1-CG2 4.09Å; Y353-T357 HydrophobicContact CE2-CG2 4.01Å; Y353-T357 WeakPolarHBondContact O-CG2 3.46Å; Y353-T357 PolarHBondContact O-N 3.49Å; Y353-T357 PolarHBondContact O-OG1 2.8Å; L354-T357 WeakPolarHBondContact CA-OG1 3.45Å; L354-T357 PolarHBondContact O-OG1 3.01Å
358S69.3Low82.2Confident43 Ų4345.7 Ų45.730%0.30125%0.247SC..  trans-68.8154.5172.161.40000110.7K356 S360 N361K356-S358 PolarHBondContact O-N 3.05Å; S358-S360 VanDerWaalsContact C-N 3.25Å; S358-S360 PolarHBondContact O-N 3.3Å; S358-S360 PolarHBondContact OG-OG 2.77Å; S358-N361 PolarHBondContact O-N 3.08Å; S358-N361 WeakPolarHBondContact OG-CB 3.32Å; S358-N361 PolarHBondContact OG-N 3.44Å; S358-N361 PolarHBondContact OG-ND2 2.95Å; S358-N361 PolarHBondContact OG-OD1 2.92Å
359S62.6Low82.9Confident77 Ų7746.2 Ų46.254%0.53825%0.251SS..G310 helixtrans-58.9-38.1171.842.20000112.1N361 C362S359-N361 PolarHBondContact O-N 2.74Å; S359-N361 VanDerWaalsContact O-N 3.17Å; S359-C362 PolarHBondContact O-N 3.16Å
360S62.2Low83.6Confident102 Ų10246.9 Ų46.971%0.71326%0.255SS*.G310 helixtrans-63.1-17.217758.60000114.4S358S358-S360 VanDerWaalsContact C-N 3.25Å; S358-S360 PolarHBondContact O-N 3.3Å; S358-S360 PolarHBondContact OG-OG 2.77Å
361N67.4Low84.3Confident97 Ų9745 Ų4552%0.51925%0.246SC..G310 helixtrans-98.712.8-177.8-75.2-3.8000113.2F231 S358 S359F231-N361 WeakPolarHBondContact CE2-O 3.38Å; F231-N361 WeakPolarHBondContact CZ-O 3.47Å; S358-N361 PolarHBondContact O-N 3.08Å; S358-N361 WeakPolarHBondContact OG-CB 3.32Å; S358-N361 PolarHBondContact OG-N 3.44Å; S358-N361 PolarHBondContact OG-ND2 2.95Å; S358-N361 PolarHBondContact OG-OD1 2.92Å; S359-N361 PolarHBondContact O-N 2.74Å; S359-N361 VanDerWaalsContact O-N 3.17Å
362C79.4Confident84.9Confident14 Ų1446.3 Ų46.310%0.09525%0.253CS..  trans-103.6115.6175.9-156.50000110.8I50 R119 S359I50-C362 HydrophobicContact CB-CB 4.13Å; I50-C362 WeakPolarHBondContact CB-O 3.19Å; I50-C362 HydrophobicContact CG2-CB 4.14Å; R119-C362 PolarHBondContact NH1-SG 3.18Å; R119-C362 VanDerWaalsContact NH1-SG 3.43Å; S359-C362 PolarHBondContact O-N 3.16Å
363S88.7Confident85.4Confident20 Ų2044.5 Ų44.514%0.1424%0.244CC..PPolyproline II helixtrans-94151175.956.30000110.4N229 F230 F231N229-S363 PolarHBondContact ND2-O 2.72Å; N229-S363 VanDerWaalsContact ND2-O 3.13Å; N229-S363 PolarHBondContact ND2-OG 2.85Å; N229-S363 VanDerWaalsContact ND2-OG 3.13Å; F230-S363 WeakPolarHBondContact CD2-OG 3.31Å; F231-S363 WeakPolarHBondContact CD2-OG 3.25Å; F231-S363 WeakPolarHBondContact CE2-OG 3.44Å
364P93.2Very high85.8Confident32 Ų3244 Ų4421%0.20824%0.242CC..PPolyproline II helixtrans-61.8157.117426-33.4000111.5I50 F55 L63 N229 V319I50-P364 HydrophobicContact CD1-CB 4.01Å; F55-P364 CarbonylContact O-C 3.48Å; F55-P364 WeakPolarHBondContact O-CA 3.39Å; L63-P364 HydrophobicContact CD1-CB 4.02Å; N229-P364 PolarHBondContact ND2-O 3Å; V319-P364 HydrophobicContact CG1-CB 4.3Å; V319-P364 HydrophobicContact CG1-CG 4.46Å
365A95.4Very high86.2Confident0 Ų044.6 Ų44.60%025%0.246CC..PPolyproline II helixtrans-65.2165.3161.200000109.6F55 L57 L63 P113 F227 A228F55-A365 HydrophobicContact CB-CB 3.94Å; F55-A365 PolarHBondContact O-N 3.2Å; L57-A365 HydrophobicContact CD1-CB 4.22Å; L57-A365 HydrophobicContact CD2-CB 3.91Å; L57-A365 HydrophobicContact CG-CB 3.83Å; L63-A365 HydrophobicContact CD1-CB 4.19Å; L63-A365 WeakPolarHBondContact CD2-O 3.33Å; P113-A365 HydrophobicContact CG-CB 3.97Å; F227-A365 HydrophobicContact CD1-CB 4.5Å; A228-A365 CarbonylContact O-C 3.4Å; A228-A365 VanDerWaalsContact O-CA 3.26Å; A228-A365 WeakPolarHBondContact O-CA 3.32Å
366F95.6Very high86.6Confident2 Ų240 Ų401%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-149.8151.9174.251.7-91.4000110.7F227 A228 F230 V319 N321 Y324 I368F227-F366 CarbonylContact C-O 3.51Å; F227-F366 VanDerWaalsContact CA-O 3.27Å; F227-F366 WeakPolarHBondContact CA-O 3.26Å; A228-F366 HydrophobicContact CB-CD2 4.4Å; A228-F366 HydrophobicContact CB-CE2 3.83Å; A228-F366 HydrophobicContact CB-CZ 4.03Å; A228-F366 PolarHBondContact N-O 3.18Å; A228-F366 PolarHBondContact O-N 2.89Å; F230-F366 AromaticContact CD1-CE1 3.6Å; F230-F366 HydrophobicContact CD1-CE1 3.6Å; F230-F366 AromaticContact CD1-CZ 3.83Å; F230-F366 HydrophobicContact CD1-CZ 3.83Å; F230-F366 HydrophobicContact CD2-CE1 4.04Å; F230-F366 AromaticContact CE1-CD1 3.99Å; F230-F366 HydrophobicContact CE1-CD1 3.99Å; F230-F366 AromaticContact CE1-CE1 3.11Å; F230-F366 HydrophobicContact CE1-CE1 3.11Å; F230-F366 HydrophobicContact CE1-CE2 4.31Å; F230-F366 AromaticContact CE1-CZ 3.3Å; F230-F366 HydrophobicContact CE1-CZ 3.3Å; F230-F366 AromaticContact CE2-CD1 3.95Å; F230-F366 HydrophobicContact CE2-CD1 3.95Å; F230-F366 AromaticContact CE2-CE1 3.68Å; F230-F366 HydrophobicContact CE2-CE1 3.68Å; F230-F366 AromaticContact CG-CE1 3.98Å; F230-F366 HydrophobicContact CG-CE1 3.98Å; F230-F366 AromaticContact CZ-CD1 3.56Å; F230-F366 HydrophobicContact CZ-CD1 3.56Å; F230-F366 AromaticContact CZ-CE1 3.16Å; F230-F366 HydrophobicContact CZ-CE1 3.16Å; F230-F366 HydrophobicContact CZ-CG 4.48Å; F230-F366 AromaticContact CZ-CZ 3.79Å; F230-F366 HydrophobicContact CZ-CZ 3.79Å; V319-F366 CarbonylContact O-C 3.23Å; V319-F366 WeakPolarHBondContact O-CA 3.35Å; V319-F366 VanDerWaalsContact O-CB 3.31Å; V319-F366 WeakPolarHBondContact O-CB 3.37Å; N321-F366 HydrophobicContact CB-CD2 3.82Å; N321-F366 HydrophobicContact CB-CE2 4.38Å; N321-F366 HydrophobicContact CB-CG 4.48Å; Y324-F366 AromaticContact CD1-CE2 3.83Å; Y324-F366 HydrophobicContact CD1-CE2 3.83Å; Y324-F366 HydrophobicContact CD1-CZ 4.31Å; Y324-F366 HydrophobicContact CE1-CE2 4.17Å; Y324-F366 HydrophobicContact CE1-CZ 4.18Å; Y324-F366 HydrophobicContact CG-CE2 4.1Å; F366-I368 HydrophobicContact CD2-CG2 3.55Å; F366-I368 HydrophobicContact CE2-CG2 3.41Å; F366-I368 VanDerWaalsContact CE2-CG2 3.41Å
367I95.7Very high87.3Confident0 Ų035.4 Ų35.40%022%0.215CC..EExtended strand (participates in β ladder)trans-75.5135.7174.9-42.1176.5000109.4V88 Y91 V225 E226 F227 V319 I320 N321 I322 S369V88-I367 HydrophobicContact CB-CD1 4Å; V88-I367 HydrophobicContact CG1-CD1 3.51Å; V88-I367 HydrophobicContact CG1-CG1 4.16Å; V88-I367 HydrophobicContact CG2-CD1 3.65Å; V88-I367 HydrophobicContact CG2-CG1 3.77Å; Y91-I367 HydrophobicContact CD1-CD1 4.23Å; V225-I367 HydrophobicContact CG1-CD1 4.24Å; V225-I367 HydrophobicContact CG1-CG1 4.21Å; V225-I367 HydrophobicContact CG1-CG2 3.74Å; E226-I367 CarbonylContact O-C 3.47Å; E226-I367 WeakPolarHBondContact O-CA 3.49Å; F227-I367 HydrophobicContact CD1-CG1 4.12Å; F227-I367 HydrophobicContact CE1-CG1 3.71Å; F227-I367 HydrophobicContact CZ-CG1 4.38Å; V319-I367 PolarHBondContact O-N 3.4Å; I320-I367 HydrophobicContact CG1-CD1 4.24Å; N321-I367 CarbonylContact C-O 3.4Å; N321-I367 VanDerWaalsContact C-O 3.23Å; N321-I367 WeakPolarHBondContact CA-O 3.47Å; N321-I367 PolarHBondContact N-O 2.57Å; I322-I367 HydrophobicContact CD1-CB 4.35Å; I322-I367 HydrophobicContact CD1-CG2 3.87Å; I367-S369 WeakPolarHBondContact CG2-O 3.35Å
368I94Very high88.2Confident14 Ų1434.5 Ų34.57%0.07221%0.209CC..EExtended strand (participates in β ladder)trans-115-22.6175.163.1165000113.5E226 A228 G323 Y324 F366E226-I368 HydrophobicContact CB-CG1 4.05Å; E226-I368 HydrophobicContact CG-CD1 3.9Å; E226-I368 HydrophobicContact CG-CG1 3.79Å; E226-I368 WeakPolarHBondContact O-CG1 3.42Å; E226-I368 PolarHBondContact O-N 3Å; A228-I368 HydrophobicContact CB-CD1 4.12Å; A228-I368 HydrophobicContact CB-CG1 4.38Å; A228-I368 HydrophobicContact CB-CG2 3.58Å; G323-I368 PolarHBondContact N-O 2.87Å; Y324-I368 HydrophobicContact CD1-CG2 3.87Å; Y324-I368 HydrophobicContact CG-CG2 4.31Å; F366-I368 HydrophobicContact CD2-CG2 3.55Å; F366-I368 HydrophobicContact CE2-CG2 3.41Å; F366-I368 VanDerWaalsContact CE2-CG2 3.41Å
369S94.8Very high89.4Confident48 Ų4833.7 Ų33.734%0.33620%0.2SC..EExtended strand (participates in β ladder)trans-146.3139.1179-178.90000110.2E226 I367E226-S369 PolarHBondContact N-O 3.13Å; I367-S369 WeakPolarHBondContact CG2-O 3.35Å
370L96.6Very high91Very high33 Ų3330 Ų3017%0.17317%0.174CC..EExtended strand (participates in β ladder)trans-131.3126.1170.7175.760.7000107.9Y91 L92 E95 I223 T224 V225 I322 I372Y91-L370 HydrophobicContact CD1-CD2 4.22Å; Y91-L370 HydrophobicContact CE1-CD2 3.74Å; L92-L370 HydrophobicContact CD2-CD1 3.37Å; L92-L370 HydrophobicContact CD2-CD2 3.92Å; L92-L370 HydrophobicContact CD2-CG 4.26Å; E95-L370 HydrophobicContact CB-CD2 3.55Å; E95-L370 HydrophobicContact CG-CD2 3.63Å; I223-L370 HydrophobicContact CG2-CD1 3.62Å; T224-L370 WeakPolarHBondContact O-CA 3.42Å; V225-L370 HydrophobicContact CG2-CD1 4.12Å; I322-L370 HydrophobicContact CD1-CB 4.16Å; L370-I372 HydrophobicContact CD1-CG1 4.48Å; L370-I372 HydrophobicContact CG-CG1 4.48Å
371E95.7Very high92.6Very high107 Ų10725.1 Ų25.150%0.514%0.14SC..EExtended strand (participates in β ladder)trans-129.3130.9175.5176.8179.3-162.100109.7T224 V373T224-E371 PolarHBondContact N-O 2.82Å; T224-E371 PolarHBondContact O-N 3.31Å; E371-V373 HydrophobicContact CG-CG1 3.76Å; E371-V373 WeakPolarHBondContact OE1-CG1 3.46Å
372I96.5Very high94Very high28 Ų2820.5 Ų20.514%0.14412%0.115CC..EExtended strand (participates in β ladder)trans-119.7113.2179-55.4177.4000108.2E95 L96 Y101 L370E95-I372 HydrophobicContact CB-CD1 4.2Å; L96-I372 HydrophobicContact CB-CD1 3.97Å; L96-I372 HydrophobicContact CD1-CD1 4.19Å; L96-I372 HydrophobicContact CD1-CG2 3.73Å; Y101-I372 HydrophobicContact CD2-CG2 3.74Å; Y101-I372 HydrophobicContact CE2-CB 4.44Å; Y101-I372 HydrophobicContact CE2-CG2 3.88Å; Y101-I372 WeakPolarHBondContact CE2-O 3.38Å; Y101-I372 PolarHBondContact OH-O 2.91Å; L370-I372 HydrophobicContact CD1-CG1 4.48Å; L370-I372 HydrophobicContact CG-CG1 4.48Å
373V95.5Very high94.8Very high22 Ų2220.4 Ų20.413%0.13311%0.113CC..EExtended strand (participates in β ladder)trans-136.7164-175.7-69.50000110.7I221 C222 E371 N453I221-V373 CarbonylContact C-O 3.6Å; I221-V373 WeakPolarHBondContact CA-O 3.41Å; C222-V373 HydrophobicContact CB-CG2 4.14Å; C222-V373 PolarHBondContact N-O 3.07Å; C222-V373 PolarHBondContact O-N 2.06Å; C222-V373 VanDerWaalsContact O-N 3.11Å; E371-V373 HydrophobicContact CG-CG1 3.76Å; E371-V373 WeakPolarHBondContact OE1-CG1 3.46Å; V373-N453 WeakPolarHBondContact CA-OD1 3.24Å; V373-N453 WeakPolarHBondContact CB-OD1 3.36Å; V373-N453 WeakPolarHBondContact CG1-OD1 3.39Å
374R94.6Very high95.3Very high12 Ų1219.4 Ų19.45%0.04511%0.106CC..EExtended strand (participates in β ladder)trans-67140.3167.1-77.7-78.2-176.1-163.8-8.5109.8Q102 S218 N219 V376 N453 Y454 E455 L456Q102-R374 VanDerWaalsContact O-CZ 3.24Å; Q102-R374 PolarHBondContact O-NH1 3.2Å; Q102-R374 PolarHBondContact O-NH2 2.9Å; S218-R374 PolarHBondContact O-NH1 3.47Å; N219-R374 PolarHBondContact O-NH1 3.44Å; R374-V376 VanDerWaalsContact C-N 3.32Å; R374-V376 PolarHBondContact O-N 3.33Å; R374-N453 PolarHBondContact N-OD1 3.49Å; R374-Y454 HydrophobicContact CB-CE1 4.36Å; R374-Y454 HydrophobicContact CG-CD1 4.14Å; R374-Y454 HydrophobicContact CG-CE1 3.82Å; R374-Y454 HydrophobicContact CG-CE2 4.37Å; R374-Y454 PolarHBondContact NE-O 2.99Å; R374-Y454 PolarHBondContact NH2-O 3.35Å; R374-E455 PolarHBondContact NH2-O 3.35Å; R374-L456 PolarHBondContact NH2-O 3Å; R374-L456 VanDerWaalsContact NH2-O 3.09Å
375S92.7Very high95.5Very high16 Ų1618.7 Ų18.711%0.11210%0.101CC..SBendtrans-67.9-35.6-179.4-60.90000112.5I220 I221 C222I220-S375 WeakPolarHBondContact CG2-OG 3.28Å; I220-S375 VanDerWaalsContact O-CB 3.3Å; I220-S375 WeakPolarHBondContact O-CB 3.34Å; I220-S375 PolarHBondContact O-N 2.82Å; I220-S375 PolarHBondContact O-OG 3.11Å; I221-S375 PolarHBondContact O-OG 2.84Å; C222-S375 PolarHBondContact N-OG 2.76Å
376V91.9Very high95.6Very high29 Ų2918.7 Ų18.718%0.17610%0.101CC..SBendtrans-135.6153.4175.1-55.60000109.5L193 E217 S218 R374L193-V376 HydrophobicContact CD1-CG1 3.99Å; E217-V376 HydrophobicContact CB-CB 4.41Å; E217-V376 HydrophobicContact CB-CG1 3.76Å; E217-V376 HydrophobicContact CB-CG2 3.72Å; S218-V376 VanDerWaalsContact N-CG2 3.29Å; R374-V376 VanDerWaalsContact C-N 3.32Å; R374-V376 PolarHBondContact O-N 3.33Å
377P95Very high95.6Very high27 Ų2722 Ų2218%0.17512%0.119CC..  trans-74.9163.317233.5-37.4000111.9Y379 E450 L451P377-Y379 HydrophobicContact CB-CE2 4.47Å; P377-Y379 HydrophobicContact CG-CE2 3.74Å; P377-E450 HydrophobicContact CB-CG 3.39Å; P377-E450 HydrophobicContact CG-CG 3.62Å; P377-E450 WeakPolarHBondContact CG-OE1 3.42Å; P377-L451 CarbonylContact C-O 3.58Å; P377-L451 WeakPolarHBondContact CA-O 3.06Å; P377-L451 WeakPolarHBondContact CB-O 3.32Å
378L94.7Very high95.5Very high2 Ų223.2 Ų23.21%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-102.1137171.9-168.667.7000109.7L380 L451 Y454 P458 I461 L505L378-L380 HydrophobicContact CD2-CD2 4.34Å; L378-L451 HydrophobicContact CB-CB 4.39Å; L378-L451 PolarHBondContact N-O 2.73Å; L378-L451 PolarHBondContact O-N 3.37Å; L378-Y454 HydrophobicContact CB-CD1 4.03Å; L378-Y454 HydrophobicContact CB-CE1 3.5Å; L378-Y454 VanDerWaalsContact CB-CE1 3.5Å; L378-Y454 HydrophobicContact CD2-CE2 4.44Å; L378-P458 HydrophobicContact CD1-CB 4.38Å; L378-P458 HydrophobicContact CD1-CG 4.12Å; L378-I461 HydrophobicContact CD2-CD1 3.77Å; L378-L505 HydrophobicContact CD1-CD1 3.66Å; L378-L505 HydrophobicContact CD1-CD2 4.23Å; L378-L505 HydrophobicContact CD1-CG 4.25Å; L378-L505 HydrophobicContact CD2-CD1 3.81Å; L378-L505 HydrophobicContact CG-CD1 3.58Å
379Y95.4Very high95.6Very high25 Ų2524.8 Ų24.810%0.09813%0.132CC..EExtended strand (participates in β ladder)trans-106.3120-180-72-99.2000111.6P377 I429 A448 I449 E450 V506 A511P377-Y379 HydrophobicContact CB-CE2 4.47Å; P377-Y379 HydrophobicContact CG-CE2 3.74Å; Y379-I429 HydrophobicContact CE1-CD1 4.28Å; Y379-A448 HydrophobicContact CD1-CB 4.49Å; Y379-I449 WeakPolarHBondContact CA-O 3.47Å; Y379-E450 HydrophobicContact CD1-CB 4.3Å; Y379-E450 HydrophobicContact CE1-CB 3.87Å; Y379-E450 HydrophobicContact CE1-CG 4.05Å; Y379-E450 HydrophobicContact CE2-CG 4.38Å; Y379-V506 WeakPolarHBondContact CB-O 3.26Å; Y379-V506 PolarHBondContact O-N 2.81Å; Y379-A511 HydrophobicContact CD1-CB 3.65Å; Y379-A511 HydrophobicContact CE1-CB 4.16Å; Y379-A511 HydrophobicContact CG-CB 4.14Å
380L96Very high95.6Very high0 Ų032.1 Ų32.10%015%0.153CC..EExtended strand (participates in β ladder)trans-101.1121167.7-44.6-178.1000108.7L378 I416 F420 A448 I449 L451 L483 L486 L503 Q504 L505L378-L380 HydrophobicContact CD2-CD2 4.34Å; L380-I416 HydrophobicContact CD1-CD1 4.45Å; L380-F420 HydrophobicContact CD1-CE1 4.47Å; L380-F420 HydrophobicContact CD1-CZ 4.17Å; L380-A448 CarbonylContact O-C 3.58Å; L380-A448 VanDerWaalsContact O-CA 3.23Å; L380-A448 WeakPolarHBondContact O-CA 3.42Å; L380-I449 HydrophobicContact CB-CB 4.33Å; L380-I449 PolarHBondContact N-O 3.37Å; L380-I449 PolarHBondContact O-N 3.02Å; L380-L451 HydrophobicContact CD1-CD1 3.42Å; L380-L451 VanDerWaalsContact CD1-CD1 3.42Å; L380-L451 HydrophobicContact CD1-CG 4.45Å; L380-L451 HydrophobicContact CD2-CD1 4.38Å; L380-L451 HydrophobicContact CG-CD1 3.75Å; L380-L483 HydrophobicContact CD1-CD1 4.4Å; L380-L483 HydrophobicContact CD2-CD1 3.55Å; L380-L483 HydrophobicContact CG-CD1 4.41Å; L380-L486 HydrophobicContact CD1-CD2 4.28Å; L380-L503 HydrophobicContact CB-CD1 4.25Å; L380-Q504 CarbonylContact C-O 3.5Å; L380-Q504 WeakPolarHBondContact CA-O 3.04Å; L380-L505 HydrophobicContact CD2-CD1 3.47Å; L380-L505 VanDerWaalsContact CD2-CD1 3.47Å
381A96.4Very high95.6Very high0 Ų030.6 Ų30.60%014%0.144CC..EExtended strand (participates in β ladder)trans-110146.3175.300000110.9F447 L503 Q504 V506 W692 P693A381-F447 VanDerWaalsContact CA-O 3.31Å; A381-F447 WeakPolarHBondContact CA-O 3.45Å; A381-L503 CarbonylContact O-C 3.59Å; A381-L503 VanDerWaalsContact O-CA 3.26Å; A381-L503 WeakPolarHBondContact O-CA 3.44Å; A381-Q504 PolarHBondContact N-O 3.49Å; A381-Q504 PolarHBondContact O-N 2.63Å; A381-V506 HydrophobicContact CB-CB 4.31Å; A381-V506 HydrophobicContact CB-CG1 3.65Å; A381-V506 HydrophobicContact CB-CG2 3.64Å; A381-W692 HydrophobicContact CB-CH2 3.53Å; A381-W692 HydrophobicContact CB-CZ2 3.71Å; A381-W692 HydrophobicContact CB-CZ3 4.23Å; A381-P693 HydrophobicContact CB-CB 3.82Å; A381-P693 HydrophobicContact CB-CG 3.91Å
382G96.7Very high95.7Very high0 Ų025.5 Ų25.50%012%0.121CC..EExtended strand (participates in β ladder)trans-162-169.317500000111.3P446 F447G382-P446 WeakPolarHBondContact O-CA 3.32Å; G382-F447 VanDerWaalsContact C-CD1 3.44Å; G382-F447 PolarHBondContact N-O 2.96Å; G382-F447 VanDerWaalsContact O-CD1 3.25Å; G382-F447 WeakPolarHBondContact O-CD1 3.16Å; G382-F447 PolarHBondContact O-N 3.38Å
383R96.6Very high95.7Very high11 Ų1124.8 Ų24.84%0.04212%0.117CC..EExtended strand (participates in β ladder)trans-125.3136.1170.8-62.3179.7178.1-107.23.8111L443 G444 R445 P446 I500 R501 L690 W692R383-L443 VanDerWaalsContact CB-O 3.28Å; R383-L443 WeakPolarHBondContact CB-O 3.26Å; R383-L443 WeakPolarHBondContact CD-O 3.35Å; R383-G444 PolarHBondContact NH1-O 2.88Å; R383-R445 CarbonylContact C-O 3.53Å; R383-R445 VanDerWaalsContact CA-O 3.23Å; R383-R445 WeakPolarHBondContact CA-O 3.18Å; R383-P446 HydrophobicContact CG-CG 4.38Å; R383-I500 CarbonylContact O-C 3.5Å; R383-I500 VanDerWaalsContact O-CA 3.25Å; R383-I500 WeakPolarHBondContact O-CA 3.48Å; R383-R501 HydrophobicContact CB-CG 4.02Å; R383-R501 PolarHBondContact N-O 3.43Å; R383-R501 PolarHBondContact O-N 2.98Å; R383-L690 PolarHBondContact NH1-O 3.36Å; R383-L690 PolarHBondContact NH2-O 3.15Å; R383-W692 PolarHBondContact NH2-O 3.36Å
384Y97.6Very high95.6Very high0 Ų025.5 Ų25.50%012%0.123CC..EExtended strand (participates in β ladder)trans-107.1136.3174.876.3-99.8000111.3K386 Q393 V408 I412 F428 T430 E434 C440 G444 R445 F447 F499Y384-K386 HydrophobicContact CD2-CB 4.12Å; Y384-K386 HydrophobicContact CE2-CB 4.03Å; Y384-Q393 PolarHBondContact OH-NE2 3.31Å; Y384-V408 HydrophobicContact CD1-CG1 4.03Å; Y384-V408 HydrophobicContact CD2-CG1 3.67Å; Y384-V408 HydrophobicContact CE1-CG1 4.2Å; Y384-V408 HydrophobicContact CE2-CG1 3.87Å; Y384-V408 HydrophobicContact CE2-CG2 4.32Å; Y384-V408 HydrophobicContact CG-CG1 3.76Å; Y384-I412 HydrophobicContact CG-CD1 4.48Å; Y384-F428 HydrophobicContact CD1-CZ 4.21Å; Y384-F428 HydrophobicContact CE1-CZ 4.37Å; Y384-T430 HydrophobicContact CE1-CG2 4.12Å; Y384-E434 WeakPolarHBondContact CE2-OE1 3.44Å; Y384-E434 PolarHBondContact OH-OE1 3.05Å; Y384-E434 PolarHBondContact OH-OE2 3.37Å; Y384-C440 HydrophobicContact CE2-CB 4.27Å; Y384-G444 CarbonylContact O-C 3.5Å; Y384-G444 WeakPolarHBondContact O-CA 3.41Å; Y384-R445 HydrophobicContact CD1-CB 4.23Å; Y384-R445 HydrophobicContact CE1-CB 3.77Å; Y384-R445 HydrophobicContact CE1-CG 4Å; Y384-R445 HydrophobicContact CE2-CB 4.27Å; Y384-R445 PolarHBondContact N-O 3.45Å; Y384-R445 PolarHBondContact O-N 2.87Å; Y384-R445 VanDerWaalsContact OH-CD 3.27Å; Y384-R445 WeakPolarHBondContact OH-CD 3.43Å; Y384-R445 PolarHBondContact OH-NE 3.14Å; Y384-F447 HydrophobicContact CD1-CB 4.21Å; Y384-F447 AromaticContact CD1-CD1 3.79Å; Y384-F447 HydrophobicContact CD1-CD1 3.79Å; Y384-F447 HydrophobicContact CD1-CG 4.32Å; Y384-F447 HydrophobicContact CG-CD1 4.44Å; Y384-F499 CarbonylContact C-O 3.17Å; Y384-F499 WeakPolarHBondContact CA-O 3.35Å
385V97.4Very high95.7Very high17 Ų1726.9 Ų26.910%0.10313%0.134CC..EExtended strand (participates in β ladder)trans-100.3123.1165.9172.30000106.7L387 C440 V498 F499V385-L387 HydrophobicContact CG1-CD2 3.7Å; V385-L387 HydrophobicContact CG1-CG 4.14Å; V385-C440 CarbonylContact C-O 3.53Å; V385-C440 WeakPolarHBondContact CA-O 3.25Å; V385-C440 WeakPolarHBondContact CG1-O 3.31Å; V385-V498 CarbonylContact O-C 3.57Å; V385-V498 VanDerWaalsContact O-CA 3.22Å; V385-V498 WeakPolarHBondContact O-CA 3.41Å; V385-F499 HydrophobicContact CB-CB 4.3Å; V385-F499 PolarHBondContact N-O 2.61Å; V385-F499 PolarHBondContact O-N 2.93Å
386K97.3Very high95.7Very high0 Ų030.7 Ų30.70%015%0.145CC..EExtended strand (participates in β ladder)trans-106.3109.4178.2178-166.1172.8-156.50108.5Y384 S388 L391 V408 E434 D435 V436 V438 R439 C440Y384-K386 HydrophobicContact CD2-CB 4.12Å; Y384-K386 HydrophobicContact CE2-CB 4.03Å; K386-S388 WeakPolarHBondContact CE-O 3.42Å; K386-L391 WeakPolarHBondContact CE-O 3.22Å; K386-L391 HydrophobicContact CG-CD2 4.41Å; K386-L391 PolarHBondContact NZ-O 3.44Å; K386-V408 HydrophobicContact CD-CG2 4.1Å; K386-V408 HydrophobicContact CG-CG2 4.16Å; K386-E434 HydrophobicContact CD-CG 4.21Å; K386-D435 PolarHBondContact NZ-O 3.1Å; K386-D435 VanDerWaalsContact NZ-O 3.13Å; K386-V436 PolarHBondContact NZ-O 3.37Å; K386-V438 WeakPolarHBondContact CD-O 3.44Å; K386-V438 WeakPolarHBondContact CE-O 3.42Å; K386-V438 PolarHBondContact NZ-O 3.39Å; K386-R439 CarbonylContact O-C 3.58Å; K386-R439 WeakPolarHBondContact O-CA 3.35Å; K386-R439 WeakPolarHBondContact O-CB 3.26Å; K386-C440 HydrophobicContact CB-CB 3.93Å; K386-C440 PolarHBondContact N-O 3.04Å; K386-C440 PolarHBondContact O-N 3.07Å
387L95.6Very high95.6Very high71 Ų7133.9 Ų33.937%0.37216%0.16SC..  trans-89.2-26.5-177.3-61.1176.6000112.4V385 R439 L441 G496 R497V385-L387 HydrophobicContact CG1-CD2 3.7Å; V385-L387 HydrophobicContact CG1-CG 4.14Å; L387-R439 WeakPolarHBondContact O-CD 3.5Å; L387-L441 HydrophobicContact CD2-CD2 3.82Å; L387-G496 WeakPolarHBondContact CD1-O 3.08Å; L387-R497 PolarHBondContact N-O 3.07Å
388S95.5Very high95.2Very high26 Ų2636.9 Ų36.918%0.18217%0.174CC..  trans-80.5137.5-177.71770000113.8K386 R390 R497K386-S388 WeakPolarHBondContact CE-O 3.42Å; S388-R390 VanDerWaalsContact C-N 3.33Å; S388-R390 PolarHBondContact OG-N 2.89Å; S388-R497 PolarHBondContact N-O 3.15Å
389R94.7Very high94.9Very high47 Ų4740.6 Ų40.618%0.17721%0.212CC..SBendtrans-85.94.8166.6-65.8-164.2177.6-66.2-11.8114.2V436 D437 R439 D629 L683 D684R389-V436 CarbonylContact C-O 3.51Å; R389-D437 WeakPolarHBondContact CG-O 3.43Å; R389-D437 PolarHBondContact NH1-O 3.41Å; R389-D437 VanDerWaalsContact O-CA 3.29Å; R389-D437 WeakPolarHBondContact O-CA 3.36Å; R389-R439 HydrophobicContact CG-CG 3.9Å; R389-D629 IonicContact CZ-OD2 2.72Å; R389-D629 IonicContact NE-OD1 2.8Å; R389-D629 PolarHBondContact NE-OD1 3.46Å; R389-D629 IonicContact NE-OD2 3.87Å; R389-D629 PolarHBondContact NE-OD2 3.11Å; R389-D629 IonicContact NH2-OD2 2.86Å; R389-D629 PolarHBondContact NH2-OD2 3.2Å; R389-L683 PolarHBondContact NH1-O 3.27Å; R389-D684 IonicContact CZ-OD1 3.24Å; R389-D684 IonicContact NH1-OD1 2.94Å; R389-D684 PolarHBondContact NH1-OD1 3.36Å; R389-D684 IonicContact NH2-OD1 3.41Å; R389-D684 PolarHBondContact NH2-OD1 3Å; R389-D684 IonicContact NH2-OD2 3.94Å
390R95.4Very high94.7Very high202 Ų20245.2 Ų45.276%0.76225%0.248SC*.SBendtrans-13351.5-178.6-62.8-176.1-176.6178.31.3109.9S388S388-R390 VanDerWaalsContact C-N 3.33Å; S388-R390 PolarHBondContact OG-N 2.89Å
391L97.1Very high94.5Very high0 Ų051.1 Ų51.10%028%0.276CS..  trans-143.6120.2-177.8-171.473.3000109.9K386 V408 L411 R497 V498K386-L391 WeakPolarHBondContact CE-O 3.22Å; K386-L391 HydrophobicContact CG-CD2 4.41Å; K386-L391 PolarHBondContact NZ-O 3.44Å; L391-V408 HydrophobicContact CD2-CG2 3.69Å; L391-V408 HydrophobicContact CG-CG2 4.22Å; L391-L411 HydrophobicContact CD1-CD1 4.05Å; L391-L411 HydrophobicContact CD2-CD1 3.81Å; L391-R497 HydrophobicContact CD2-CB 4.43Å; L391-V498 HydrophobicContact CD2-CG2 3.36Å
392P97Very high94.3Very high1 Ų156.4 Ų56.41%0.00630%0.296CS..  trans-78.3155.2174.434.1-29.6000109.6S394 W396 L404 S406 S407 V408 V436P392-S394 WeakPolarHBondContact CB-O 3.16Å; P392-W396 HydrophobicContact CB-CB 4.06Å; P392-W396 HydrophobicContact CB-CE3 4.39Å; P392-W396 HydrophobicContact CG-CB 3.97Å; P392-L404 HydrophobicContact CG-CB 4.35Å; P392-L404 HydrophobicContact CG-CD1 4.12Å; P392-S406 WeakPolarHBondContact CD-O 3.3Å; P392-S406 WeakPolarHBondContact CG-O 3.17Å; P392-S407 CarbonylContact O-C 3.53Å; P392-S407 WeakPolarHBondContact O-CA 3.39Å; P392-S407 WeakPolarHBondContact O-CB 3.28Å; P392-V408 PolarHBondContact O-N 3.22Å; P392-V436 HydrophobicContact CB-CG2 4.34Å
393Q95.8Very high94.2Very high12 Ų1261 Ų616%0.05632%0.316CS..SBendtrans-68.8-39.1177.8178.7-168.461.200112.1Y384 V408 E409 F428 T430 G432 R433Y384-Q393 PolarHBondContact OH-NE2 3.31Å; Q393-V408 PolarHBondContact O-N 2.73Å; Q393-E409 WeakPolarHBondContact O-CB 3.48Å; Q393-E409 PolarHBondContact O-N 2.91Å; Q393-F428 HydrophobicContact CG-CE1 4.49Å; Q393-T430 HydrophobicContact CG-CG2 4.4Å; Q393-T430 PolarHBondContact NE2-OG1 3.29Å; Q393-T430 VanDerWaalsContact NE2-OG1 3.07Å; Q393-T430 PolarHBondContact OE1-OG1 2.99Å; Q393-G432 PolarHBondContact NE2-O 3.17Å; Q393-R433 HydrophobicContact CB-CG 4.29Å; Q393-R433 VanDerWaalsContact OE1-CG 3.28Å
394S95.1Very high94Very high38 Ų3862.8 Ų62.827%0.26633%0.326SS..SBendtrans-122.7161.3176.5670000110.1P392 W396 E409 R433P392-S394 WeakPolarHBondContact CB-O 3.16Å; S394-W396 PolarHBondContact O-N 2.95Å; S394-E409 VanDerWaalsContact CB-OE2 3.32Å; S394-E409 WeakPolarHBondContact CB-OE2 3.01Å; S394-R433 PolarHBondContact OG-NH1 3.39Å
395P95.2Very high93.8Very high41 Ų4167.7 Ų67.727%0.26635%0.352SS..  trans-50.7122.8-179.8-26.933.2000111.7I397 S407 E409 E410P395-I397 HydrophobicContact CB-CD1 4.43Å; P395-I397 PolarHBondContact O-N 2.91Å; P395-S407 WeakPolarHBondContact CD-OG 3.3Å; P395-E409 WeakPolarHBondContact CD-OE2 3.24Å; P395-E410 HydrophobicContact CG-CG 3.93Å
396W92.3Very high93.8Very high96 Ų9667.3 Ų67.336%0.36435%0.35SS..  trans-96.296.9-176.3-166.71.7000110.8P392 S394 K403 L404 V436P392-W396 HydrophobicContact CB-CB 4.06Å; P392-W396 HydrophobicContact CB-CE3 4.39Å; P392-W396 HydrophobicContact CG-CB 3.97Å; S394-W396 PolarHBondContact O-N 2.95Å; W396-K403 HydrophobicContact CB-CB 4.34Å; W396-K403 HydrophobicContact CD2-CB 4.06Å; W396-K403 HydrophobicContact CD2-CG 4.43Å; W396-K403 HydrophobicContact CE3-CB 4.32Å; W396-K403 HydrophobicContact CG-CB 4.06Å; W396-K403 HydrophobicContact CG-CG 4.34Å; W396-K403 PolarHBondContact O-N 2.89Å; W396-L404 HydrophobicContact CE3-CD1 3.99Å; W396-L404 HydrophobicContact CE3-CG 4.44Å; W396-L404 HydrophobicContact CZ3-CD1 4.32Å; W396-V436 HydrophobicContact CE3-CG2 4.32Å; W396-V436 HydrophobicContact CH2-CG1 4.44Å; W396-V436 HydrophobicContact CZ3-CB 4.14Å; W396-V436 HydrophobicContact CZ3-CG1 3.99Å; W396-V436 HydrophobicContact CZ3-CG2 4.02Å
397I91.5Very high93.8Very high95 Ų9567.3 Ų67.349%0.48735%0.35SS..EExtended strand (participates in β ladder)trans-118.3130.1-179.1-55.7169.4000108.5P395 G399 Q401P395-I397 HydrophobicContact CB-CD1 4.43Å; P395-I397 PolarHBondContact O-N 2.91Å; I397-G399 WeakPolarHBondContact CG2-O 3.32Å; I397-Q401 WeakPolarHBondContact CA-O 3.5Å
398I86.3Confident93.9Very high91 Ų9163.9 Ų63.947%0.46733%0.333SS..EExtended strand (participates in β ladder)trans-120.2117.2172.3-56.2-175.5000107.5S400 Q401 K403I398-S400 PolarHBondContact O-N 3.19Å; I398-Q401 PolarHBondContact N-O 3.37Å; I398-Q401 PolarHBondContact O-N 3.17Å; I398-Q401 VanDerWaalsContact O-N 3.1Å; I398-K403 HydrophobicContact CD1-CG 4.21Å; I398-K403 HydrophobicContact CG1-CG 4.13Å
399G89Confident94Very high79 Ų7964.8 Ų64.881%0.81433%0.334SS*.THydrogen-bonded Turntrans62.6-122.6-16900000110I397I397-G399 WeakPolarHBondContact CG2-O 3.32Å
400S89.1Confident94.1Very high122 Ų12263.5 Ų63.585%0.85333%0.33SS*.THydrogen-bonded Turntrans-98.6-1.2173.954.40000114I398I398-S400 PolarHBondContact O-N 3.19Å
401Q92.3Very high94.3Very high125 Ų12554.7 Ų54.758%0.58430%0.298SS*.EExtended strand (participates in β ladder)trans-101.2126-173.3-68.2-176.4-4.400112.3I397 I398I397-Q401 WeakPolarHBondContact CA-O 3.5Å; I398-Q401 PolarHBondContact N-O 3.37Å; I398-Q401 PolarHBondContact O-N 3.17Å; I398-Q401 VanDerWaalsContact O-N 3.1Å
402R93.5Very high94.3Very high111 Ų11154.7 Ų54.742%0.41930%0.298SS..EExtended strand (participates in β ladder)trans-77.5133.8172.4-172.8172.7-178.4112.23.2110.6L404 D405 E410R402-L404 VanDerWaalsContact CG-O 3.26Å; R402-L404 WeakPolarHBondContact CG-O 3.26Å; R402-L404 PolarHBondContact NE-O 2.58Å; R402-D405 PolarHBondContact NE-O 3.37Å; R402-D405 PolarHBondContact NH2-O 3.05Å; R402-E410 IonicContact CZ-OE1 3.91Å; R402-E410 VanDerWaalsContact CZ-OE1 3.26Å; R402-E410 IonicContact CZ-OE2 3.47Å; R402-E410 IonicContact NH1-OE1 2.68Å; R402-E410 PolarHBondContact NH1-OE1 3.33Å; R402-E410 IonicContact NH1-OE2 3.9Å; R402-E410 IonicContact NH2-OE1 3.13Å; R402-E410 PolarHBondContact NH2-OE1 3.31Å; R402-E410 IonicContact NH2-OE2 2.9Å; R402-E410 PolarHBondContact NH2-OE2 2.93Å
403K92.8Very high94.3Very high96 Ų9655 Ų5542%0.41730%0.3SS..  trans-95.8-32.6-174.4-64.8-56.8-175.6-170.90114.7W396 I398W396-K403 HydrophobicContact CB-CB 4.34Å; W396-K403 HydrophobicContact CD2-CB 4.06Å; W396-K403 HydrophobicContact CD2-CG 4.43Å; W396-K403 HydrophobicContact CE3-CB 4.32Å; W396-K403 HydrophobicContact CG-CB 4.06Å; W396-K403 HydrophobicContact CG-CG 4.34Å; W396-K403 PolarHBondContact O-N 2.89Å; I398-K403 HydrophobicContact CD1-CG 4.21Å; I398-K403 HydrophobicContact CG1-CG 4.13Å
404L94Very high94.3Very high49 Ų4959.7 Ų59.726%0.25732%0.322SS..SBendtrans-133.3157.5177.7-69.5174.5000110P392 W396 R402 S406 V436P392-L404 HydrophobicContact CG-CB 4.35Å; P392-L404 HydrophobicContact CG-CD1 4.12Å; W396-L404 HydrophobicContact CE3-CD1 3.99Å; W396-L404 HydrophobicContact CE3-CG 4.44Å; W396-L404 HydrophobicContact CZ3-CD1 4.32Å; R402-L404 VanDerWaalsContact CG-O 3.26Å; R402-L404 WeakPolarHBondContact CG-O 3.26Å; R402-L404 PolarHBondContact NE-O 2.58Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3.11Å; L404-V436 HydrophobicContact CD1-CG2 3.6Å
405D93.7Very high94.4Very high102 Ų10258.8 Ų58.855%0.54532%0.315SS..SBendtrans-64.3-36.6-172.967.8-50.5000112.5R402 R497R402-D405 PolarHBondContact NE-O 3.37Å; R402-D405 PolarHBondContact NH2-O 3.05Å; D405-R497 IonicContact OD1-NH1 2.82Å; D405-R497 PolarHBondContact OD1-NH1 3.09Å; D405-R497 IonicContact OD2-CZ 3.46Å; D405-R497 IonicContact OD2-NH1 3.26Å; D405-R497 PolarHBondContact OD2-NH1 3.48Å; D405-R497 IonicContact OD2-NH2 2.74Å; D405-R497 PolarHBondContact OD2-NH2 3.04Å
406S96.1Very high94.3Very high9 Ų956.9 Ų56.96%0.06330%0.302CS..  trans-146.9-175.5-176.7-160.60000112P392 L404 L411P392-S406 WeakPolarHBondContact CD-O 3.3Å; P392-S406 WeakPolarHBondContact CG-O 3.17Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3.11Å; S406-L411 WeakPolarHBondContact OG-CG 3.36Å
407S97.4Very high94.5Very high0 Ų054.2 Ų54.20%030%0.295CS..  trans-146.2163.8174.760.70000110.7P392 P395 E409 E410 L411P392-S407 CarbonylContact O-C 3.53Å; P392-S407 WeakPolarHBondContact O-CA 3.39Å; P392-S407 WeakPolarHBondContact O-CB 3.28Å; P395-S407 WeakPolarHBondContact CD-OG 3.3Å; S407-E409 VanDerWaalsContact C-N 3.26Å; S407-E409 PolarHBondContact O-N 3.44Å; S407-E410 WeakPolarHBondContact CB-OE2 3.42Å; S407-E410 PolarHBondContact N-OE2 3.28Å; S407-E410 VanDerWaalsContact N-OE2 3.08Å; S407-E410 PolarHBondContact O-N 3.48Å; S407-E410 WeakPolarHBondContact OG-CB 3.36Å; S407-E410 WeakPolarHBondContact OG-CG 3.15Å; S407-E410 PolarHBondContact OG-N 3.1Å; S407-E410 PolarHBondContact OG-OE2 2.89Å; S407-L411 WeakPolarHBondContact O-CB 3.26Å; S407-L411 WeakPolarHBondContact O-CG 3.13Å; S407-L411 PolarHBondContact O-N 2.79Å
408V98Very high94.7Very high0 Ų054.4 Ų54.40%030%0.303CS..Hα-helixtrans-55.6-46.5174.4176.10000110.4Y384 K386 L391 P392 Q393 L411 I412 F428 V498Y384-V408 HydrophobicContact CD1-CG1 4.03Å; Y384-V408 HydrophobicContact CD2-CG1 3.67Å; Y384-V408 HydrophobicContact CE1-CG1 4.2Å; Y384-V408 HydrophobicContact CE2-CG1 3.87Å; Y384-V408 HydrophobicContact CE2-CG2 4.32Å; Y384-V408 HydrophobicContact CG-CG1 3.76Å; K386-V408 HydrophobicContact CD-CG2 4.1Å; K386-V408 HydrophobicContact CG-CG2 4.16Å; L391-V408 HydrophobicContact CD2-CG2 3.69Å; L391-V408 HydrophobicContact CG-CG2 4.22Å; P392-V408 PolarHBondContact O-N 3.22Å; Q393-V408 PolarHBondContact O-N 2.73Å; V408-L411 PolarHBondContact O-N 3.01Å; V408-I412 HydrophobicContact CG1-CD1 3.69Å; V408-I412 WeakPolarHBondContact O-CD1 3.46Å; V408-I412 VanDerWaalsContact O-CG1 3.23Å; V408-I412 WeakPolarHBondContact O-CG1 3.15Å; V408-I412 PolarHBondContact O-N 3.36Å; V408-F428 HydrophobicContact CG1-CZ 4.3Å; V408-V498 HydrophobicContact CB-CG2 4.44Å; V408-V498 HydrophobicContact CG1-CG1 4.29Å; V408-V498 HydrophobicContact CG1-CG2 4.37Å; V408-V498 HydrophobicContact CG2-CG2 3.99Å
409E97.8Very high95.1Very high45 Ų4554.5 Ų54.521%0.2130%0.297CS..Hα-helixtrans-52.4-56174.4170.9172.1179.600111.8Q393 S394 P395 S407 L411 I412 T413 F428Q393-E409 WeakPolarHBondContact O-CB 3.48Å; Q393-E409 PolarHBondContact O-N 2.91Å; S394-E409 VanDerWaalsContact CB-OE2 3.32Å; S394-E409 WeakPolarHBondContact CB-OE2 3.01Å; P395-E409 WeakPolarHBondContact CD-OE2 3.24Å; S407-E409 VanDerWaalsContact C-N 3.26Å; S407-E409 PolarHBondContact O-N 3.44Å; E409-L411 PolarHBondContact O-N 3.39Å; E409-I412 PolarHBondContact O-N 3.44Å; E409-I412 VanDerWaalsContact O-N 3.13Å; E409-T413 HydrophobicContact CG-CG2 4.47Å; E409-T413 WeakPolarHBondContact O-CG2 3.36Å; E409-T413 PolarHBondContact O-N 3.41Å; E409-T413 PolarHBondContact O-OG1 3.26Å; E409-F428 HydrophobicContact CB-CB 4.15Å; E409-F428 HydrophobicContact CB-CD1 3.76Å; E409-F428 HydrophobicContact CB-CE1 4.28Å; E409-F428 HydrophobicContact CB-CG 3.96Å; E409-F428 HydrophobicContact CG-CB 3.54Å; E409-F428 HydrophobicContact CG-CD1 4.15Å; E409-F428 HydrophobicContact CG-CG 3.89Å
410E97.4Very high95.4Very high20 Ų2051 Ų519%0.09326%0.259CS..Hα-helixtrans-64.2-41.6-176.7-74.4164.3128.300112.9P395 R402 S407 I412 T413 Q414P395-E410 HydrophobicContact CG-CG 3.93Å; R402-E410 IonicContact CZ-OE1 3.91Å; R402-E410 VanDerWaalsContact CZ-OE1 3.26Å; R402-E410 IonicContact CZ-OE2 3.47Å; R402-E410 IonicContact NH1-OE1 2.68Å; R402-E410 PolarHBondContact NH1-OE1 3.33Å; R402-E410 IonicContact NH1-OE2 3.9Å; R402-E410 IonicContact NH2-OE1 3.13Å; R402-E410 PolarHBondContact NH2-OE1 3.31Å; R402-E410 IonicContact NH2-OE2 2.9Å; R402-E410 PolarHBondContact NH2-OE2 2.93Å; S407-E410 WeakPolarHBondContact CB-OE2 3.42Å; S407-E410 PolarHBondContact N-OE2 3.28Å; S407-E410 VanDerWaalsContact N-OE2 3.08Å; S407-E410 PolarHBondContact O-N 3.48Å; S407-E410 WeakPolarHBondContact OG-CB 3.36Å; S407-E410 WeakPolarHBondContact OG-CG 3.15Å; S407-E410 PolarHBondContact OG-N 3.1Å; S407-E410 PolarHBondContact OG-OE2 2.89Å; E410-I412 PolarHBondContact O-N 2.94Å; E410-T413 PolarHBondContact O-N 3.18Å; E410-Q414 HydrophobicContact CB-CG 4.19Å; E410-Q414 WeakPolarHBondContact O-CB 3.42Å; E410-Q414 VanDerWaalsContact O-CG 3.27Å; E410-Q414 WeakPolarHBondContact O-CG 3.49Å; E410-Q414 PolarHBondContact O-N 2.84Å
411L98.1Very high95.6Very high16 Ų1645.5 Ų45.58%0.08422%0.222CC..Hα-helixtrans-61.7-26.1177.2-71.1175.9000112.5L391 S406 S407 V408 E409 P415 T494 R497 V498L391-L411 HydrophobicContact CD1-CD1 4.05Å; L391-L411 HydrophobicContact CD2-CD1 3.81Å; S406-L411 WeakPolarHBondContact OG-CG 3.36Å; S407-L411 WeakPolarHBondContact O-CB 3.26Å; S407-L411 WeakPolarHBondContact O-CG 3.13Å; S407-L411 PolarHBondContact O-N 2.79Å; V408-L411 PolarHBondContact O-N 3.01Å; E409-L411 PolarHBondContact O-N 3.39Å; L411-P415 WeakPolarHBondContact O-CG 3.44Å; L411-T494 HydrophobicContact CB-CG2 4.48Å; L411-R497 HydrophobicContact CD1-CB 4.08Å; L411-V498 HydrophobicContact CD1-CB 4.36Å; L411-V498 HydrophobicContact CD1-CG2 3.86Å
412I98Very high95.5Very high0 Ų043.5 Ų43.50%023%0.227CC..Hα-helixtrans-91.2-46.3178.8-64.4170.3000111.2Y384 V408 E409 E410 I416 F428 F447 I449 V498 I500Y384-I412 HydrophobicContact CG-CD1 4.48Å; V408-I412 HydrophobicContact CG1-CD1 3.69Å; V408-I412 WeakPolarHBondContact O-CD1 3.46Å; V408-I412 VanDerWaalsContact O-CG1 3.23Å; V408-I412 WeakPolarHBondContact O-CG1 3.15Å; V408-I412 PolarHBondContact O-N 3.36Å; E409-I412 PolarHBondContact O-N 3.44Å; E409-I412 VanDerWaalsContact O-N 3.13Å; E410-I412 PolarHBondContact O-N 2.94Å; I412-I416 HydrophobicContact CG2-CD1 4.37Å; I412-I416 VanDerWaalsContact O-CD1 3.27Å; I412-I416 WeakPolarHBondContact O-CD1 3.16Å; I412-I416 WeakPolarHBondContact O-CG1 3.41Å; I412-F428 HydrophobicContact CB-CE2 4.47Å; I412-F428 HydrophobicContact CD1-CE2 3.9Å; I412-F428 HydrophobicContact CD1-CZ 3.91Å; I412-F428 HydrophobicContact CG2-CE2 4.35Å; I412-F447 HydrophobicContact CD1-CE1 4.39Å; I412-F447 HydrophobicContact CD1-CZ 4.43Å; I412-F447 HydrophobicContact CG2-CE2 4.18Å; I412-F447 HydrophobicContact CG2-CZ 4.23Å; I412-I449 HydrophobicContact CG2-CD1 3.74Å; I412-V498 HydrophobicContact CD1-CG1 4.23Å; I412-V498 HydrophobicContact CG1-CG1 4.3Å; I412-I500 HydrophobicContact CD1-CG2 3.59Å; I412-I500 HydrophobicContact CG1-CG2 3.71Å
413T97.5Very high95.4Very high8 Ų843.1 Ų43.15%0.04923%0.233CC..Hα-helixtrans-85.8-35.4-169.960.30000113.6E409 E410 I416 L417 F428 I449E409-T413 HydrophobicContact CG-CG2 4.47Å; E409-T413 WeakPolarHBondContact O-CG2 3.36Å; E409-T413 PolarHBondContact O-N 3.41Å; E409-T413 PolarHBondContact O-OG1 3.26Å; E410-T413 PolarHBondContact O-N 3.18Å; T413-I416 WeakPolarHBondContact O-CB 3.37Å; T413-I416 PolarHBondContact O-N 3.5Å; T413-L417 PolarHBondContact O-N 3.44Å; T413-L417 VanDerWaalsContact O-N 3.13Å; T413-F428 HydrophobicContact CG2-CB 4.48Å; T413-F428 HydrophobicContact CG2-CD2 4.16Å; T413-I449 HydrophobicContact CG2-CD1 4.25Å; T413-I449 HydrophobicContact CG2-CG2 4.24Å
414Q96Very high95.6Very high110 Ų11039.1 Ų39.151%0.51422%0.218SC..THydrogen-bonded Turntrans-60.4-39.1-178.5-67.9-179.5-12.200113.3E410 I416 P418E410-Q414 HydrophobicContact CB-CG 4.19Å; E410-Q414 WeakPolarHBondContact O-CB 3.42Å; E410-Q414 VanDerWaalsContact O-CG 3.27Å; E410-Q414 WeakPolarHBondContact O-CG 3.49Å; E410-Q414 PolarHBondContact O-N 2.84Å; Q414-I416 VanDerWaalsContact C-N 3.27Å; Q414-I416 PolarHBondContact O-N 3.11Å; Q414-P418 WeakPolarHBondContact O-CD 3.4Å
415P95.7Very high95.7Very high19 Ų1942.6 Ų42.612%0.12323%0.233CC..THydrogen-bonded Turntrans-67.2-25.9174.2-2133.5000113.7L411 R419 F489 I490 T493L411-P415 WeakPolarHBondContact O-CG 3.44Å; P415-R419 WeakPolarHBondContact O-CD 3.22Å; P415-R419 PolarHBondContact O-NH1 3.17Å; P415-F489 HydrophobicContact CB-CE1 3.68Å; P415-F489 HydrophobicContact CB-CZ 4.34Å; P415-I490 HydrophobicContact CB-CG1 4.32Å; P415-T493 WeakPolarHBondContact CG-OG1 3.37Å
416I94.7Very high95.8Very high1 Ų139.3 Ų39.31%0.00522%0.218CC..THydrogen-bonded Turntrans-76.5-54.1-177.6-64.7172.4000110.8L380 I412 T413 Q414 R419 F420 I449 L451 L486 I490L380-I416 HydrophobicContact CD1-CD1 4.45Å; I412-I416 HydrophobicContact CG2-CD1 4.37Å; I412-I416 VanDerWaalsContact O-CD1 3.27Å; I412-I416 WeakPolarHBondContact O-CD1 3.16Å; I412-I416 WeakPolarHBondContact O-CG1 3.41Å; T413-I416 WeakPolarHBondContact O-CB 3.37Å; T413-I416 PolarHBondContact O-N 3.5Å; Q414-I416 VanDerWaalsContact C-N 3.27Å; Q414-I416 PolarHBondContact O-N 3.11Å; I416-R419 WeakPolarHBondContact O-CB 3.48Å; I416-R419 PolarHBondContact O-N 2.69Å; I416-F420 HydrophobicContact CG2-CD2 3.49Å; I416-F420 VanDerWaalsContact CG2-CD2 3.49Å; I416-F420 HydrophobicContact CG2-CE2 3.54Å; I416-F420 HydrophobicContact CG2-CG 4.15Å; I416-F420 HydrophobicContact CG2-CZ 4.2Å; I416-F420 WeakPolarHBondContact O-CD2 3.49Å; I416-F420 PolarHBondContact O-N 3.22Å; I416-I449 HydrophobicContact CD1-CD1 3.44Å; I416-I449 VanDerWaalsContact CD1-CD1 3.44Å; I416-L451 HydrophobicContact CG2-CD1 4.09Å; I416-L451 HydrophobicContact CG2-CD2 4.23Å; I416-L486 HydrophobicContact CG1-CD1 4.37Å; I416-I490 HydrophobicContact CD1-CD1 3.69Å; I416-I490 HydrophobicContact CG1-CD1 3.63Å; I416-I490 HydrophobicContact CG1-CG1 4.21Å
417L96.5Very high95.8Very high41 Ų4142.1 Ų42.122%0.21524%0.237CC..Hα-helixtrans-51.1-49.4-166.1-65.3174.4000114.4T413 R419 F420 G421 A424 L451T413-L417 PolarHBondContact O-N 3.44Å; T413-L417 VanDerWaalsContact O-N 3.13Å; L417-R419 PolarHBondContact O-N 3.42Å; L417-F420 PolarHBondContact O-N 3.49Å; L417-G421 PolarHBondContact O-N 3.31Å; L417-A424 HydrophobicContact CD2-CB 4.16Å; L417-L451 HydrophobicContact CD2-CD2 3.98Å
418P94.8Very high95.7Very high99 Ų9943.2 Ų43.264%0.64324%0.242SC*.Hα-helixtrans-62.5-19.6-178.7-22.534.8000114.5Q414Q414-P418 WeakPolarHBondContact O-CD 3.4Å
419R94.4Very high95.6Very high93 Ų9345.8 Ų45.835%0.35126%0.255SS..Hα-helixtrans-90-14.3179.4-68.7161.7171.969.815113P415 I416 L417 W465P415-R419 WeakPolarHBondContact O-CD 3.22Å; P415-R419 PolarHBondContact O-NH1 3.17Å; I416-R419 WeakPolarHBondContact O-CB 3.48Å; I416-R419 PolarHBondContact O-N 2.69Å; L417-R419 PolarHBondContact O-N 3.42Å; R419-W465 HydrophobicContact CB-CZ2 4.17Å; R419-W465 HydrophobicContact CG-CZ2 4.14Å
420F95.5Very high95.2Very high5 Ų545.1 Ų45.12%0.02225%0.254CS..Hα-helixtrans-103.7-11.3-179.1-79.8-111.9000112.3L380 I416 L417 A424 L451 Y454 E455 I461 L486L380-F420 HydrophobicContact CD1-CE1 4.47Å; L380-F420 HydrophobicContact CD1-CZ 4.17Å; I416-F420 HydrophobicContact CG2-CD2 3.49Å; I416-F420 VanDerWaalsContact CG2-CD2 3.49Å; I416-F420 HydrophobicContact CG2-CE2 3.54Å; I416-F420 HydrophobicContact CG2-CG 4.15Å; I416-F420 HydrophobicContact CG2-CZ 4.2Å; I416-F420 WeakPolarHBondContact O-CD2 3.49Å; I416-F420 PolarHBondContact O-N 3.22Å; L417-F420 PolarHBondContact O-N 3.49Å; F420-A424 HydrophobicContact CB-CB 4.07Å; F420-L451 HydrophobicContact CD1-CD1 3.67Å; F420-L451 HydrophobicContact CE1-CD1 3.61Å; F420-L451 HydrophobicContact CG-CD1 4.28Å; F420-L451 HydrophobicContact CZ-CD1 4.2Å; F420-Y454 CarbonylContact O-C 3.44Å; F420-Y454 VanDerWaalsContact O-CA 3.26Å; F420-Y454 WeakPolarHBondContact O-CA 3.22Å; F420-E455 PolarHBondContact O-N 3.06Å; F420-I461 HydrophobicContact CD1-CD1 3.93Å; F420-I461 HydrophobicContact CD1-CG1 4.48Å; F420-I461 HydrophobicContact CE1-CD1 3.69Å; F420-I461 HydrophobicContact CE1-CG1 4.09Å; F420-I461 HydrophobicContact CE1-CG2 3.8Å; F420-I461 HydrophobicContact CZ-CG2 3.82Å; F420-L486 HydrophobicContact CE2-CD2 4.01Å; F420-L486 HydrophobicContact CZ-CD2 4Å
421G93.3Very high94.7Very high7 Ų744.2 Ų44.27%0.07225%0.25CC..  trans141.3161.5171.800000112.7L417 N423 A424 E455L417-G421 PolarHBondContact O-N 3.31Å; G421-N423 VanDerWaalsContact C-N 3.28Å; G421-N423 PolarHBondContact O-N 3.44Å; G421-A424 WeakPolarHBondContact O-CB 3.36Å; G421-A424 PolarHBondContact O-N 3.23Å; G421-E455 WeakPolarHBondContact CA-OE1 3.43Å
422A90.3Very high94.1Very high82 Ų8244.7 Ų44.768%0.67826%0.258SS*.THydrogen-bonded Turntrans-66.9-31.2-178.200000112.8E455A422-E455 PolarHBondContact N-OE1 3.09Å
423N92.1Very high93.8Very high104 Ų10450.6 Ų50.656%0.55628%0.281SS*.THydrogen-bonded Turntrans-100.27.2-180-63.1-34.7000113G421 Q425 N453G421-N423 VanDerWaalsContact C-N 3.28Å; G421-N423 PolarHBondContact O-N 3.44Å; N423-Q425 PolarHBondContact O-N 2.93Å; N423-N453 WeakPolarHBondContact O-CB 3.33Å
424A96.1Very high93.5Very high12 Ų1250.6 Ų50.610%0.09928%0.28CS..  trans-62.8137-179.500000110.4L417 F420 G421 S452L417-A424 HydrophobicContact CD2-CB 4.16Å; F420-A424 HydrophobicContact CB-CB 4.07Å; G421-A424 WeakPolarHBondContact O-CB 3.36Å; G421-A424 PolarHBondContact O-N 3.23Å; A424-S452 WeakPolarHBondContact CA-O 3.31Å
425Q96.3Very high93.4Very high121 Ų12147.8 Ų47.857%0.56527%0.269SS*.EExtended strand (participates in β ladder)trans-126.9152.1178.4-66.5175.40.400109.4N423 L451 S452N423-Q425 PolarHBondContact O-N 2.93Å; Q425-L451 CarbonylContact O-C 3.53Å; Q425-L451 WeakPolarHBondContact O-CA 3.25Å; Q425-S452 PolarHBondContact N-O 3.45Å; Q425-S452 PolarHBondContact O-N 3.26Å
426S96.4Very high93.3Very high34 Ų3449 Ų4924%0.23828%0.275CS..EExtended strand (participates in β ladder)trans-131.1141.5178.9610000112.3E450S426-E450 CarbonylContact C-O 3.41Å; S426-E450 VanDerWaalsContact CA-O 3.23Å; S426-E450 WeakPolarHBondContact CA-O 3.41Å
427C96Very high93.4Very high68 Ų6851.8 Ų51.846%0.45929%0.29SS..EExtended strand (participates in β ladder)trans-114.3122.6160.6-1670000109.7I449 E450C427-I449 WeakPolarHBondContact O-CA 3.26Å; C427-E450 HydrophobicContact CB-CB 4.11Å; C427-E450 PolarHBondContact N-O 3.06Å; C427-E450 PolarHBondContact O-N 3.42Å
428F96.1Very high93.4Very high22 Ų2250 Ų5010%0.09628%0.281CS..EExtended strand (participates in β ladder)trans-92.1118.6-179.7-171.3-105.1000110.6Y384 Q393 V408 E409 I412 T413 T430 F447 I449Y384-F428 HydrophobicContact CD1-CZ 4.21Å; Y384-F428 HydrophobicContact CE1-CZ 4.37Å; Q393-F428 HydrophobicContact CG-CE1 4.49Å; V408-F428 HydrophobicContact CG1-CZ 4.3Å; E409-F428 HydrophobicContact CB-CB 4.15Å; E409-F428 HydrophobicContact CB-CD1 3.76Å; E409-F428 HydrophobicContact CB-CE1 4.28Å; E409-F428 HydrophobicContact CB-CG 3.96Å; E409-F428 HydrophobicContact CG-CB 3.54Å; E409-F428 HydrophobicContact CG-CD1 4.15Å; E409-F428 HydrophobicContact CG-CG 3.89Å; I412-F428 HydrophobicContact CB-CE2 4.47Å; I412-F428 HydrophobicContact CD1-CE2 3.9Å; I412-F428 HydrophobicContact CD1-CZ 3.91Å; I412-F428 HydrophobicContact CG2-CE2 4.35Å; T413-F428 HydrophobicContact CG2-CB 4.48Å; T413-F428 HydrophobicContact CG2-CD2 4.16Å; F428-T430 HydrophobicContact CD1-CG2 3.6Å; F428-T430 HydrophobicContact CE1-CG2 3.09Å; F428-T430 HydrophobicContact CZ-CG2 3.78Å; F428-F447 HydrophobicContact CD2-CD2 4.22Å; F428-F447 HydrophobicContact CE2-CB 3.96Å; F428-F447 AromaticContact CE2-CD2 3.42Å; F428-F447 HydrophobicContact CE2-CD2 3.42Å; F428-F447 VanDerWaalsContact CE2-CD2 3.42Å; F428-F447 HydrophobicContact CE2-CE2 4.05Å; F428-F447 AromaticContact CE2-CG 3.76Å; F428-F447 HydrophobicContact CE2-CG 3.76Å; F428-F447 HydrophobicContact CZ-CB 3.79Å; F428-F447 HydrophobicContact CZ-CD2 4.07Å; F428-F447 AromaticContact CZ-CG 3.91Å; F428-F447 HydrophobicContact CZ-CG 3.91Å; F428-I449 HydrophobicContact CD2-CG1 4.06Å; F428-I449 HydrophobicContact CE2-CG1 4.44Å
429I94.1Very high93.5Very high55 Ų5546.2 Ų46.228%0.28225%0.254SS..EExtended strand (participates in β ladder)trans-118.5129.2-173.9-41173.2000108.4Y379 F447 A448 E450 L515Y379-I429 HydrophobicContact CE1-CD1 4.28Å; I429-F447 CarbonylContact O-C 3.55Å; I429-F447 VanDerWaalsContact O-CA 3.29Å; I429-F447 WeakPolarHBondContact O-CA 3.18Å; I429-A448 PolarHBondContact N-O 3.48Å; I429-A448 PolarHBondContact O-N 3.46Å; I429-E450 HydrophobicContact CD1-CB 4.33Å; I429-L515 HydrophobicContact CB-CD1 3.87Å; I429-L515 HydrophobicContact CG2-CD1 3.59Å
430T91.1Very high93.6Very high31 Ų3141.8 Ų41.819%0.1924%0.237CC..EExtended strand (participates in β ladder)trans-127.8151.5-175.961.60000112.2Y384 Q393 F428 G432 F447Y384-T430 HydrophobicContact CE1-CG2 4.12Å; Q393-T430 HydrophobicContact CG-CG2 4.4Å; Q393-T430 PolarHBondContact NE2-OG1 3.29Å; Q393-T430 VanDerWaalsContact NE2-OG1 3.07Å; Q393-T430 PolarHBondContact OE1-OG1 2.99Å; F428-T430 HydrophobicContact CD1-CG2 3.6Å; F428-T430 HydrophobicContact CE1-CG2 3.09Å; F428-T430 HydrophobicContact CZ-CG2 3.78Å; T430-G432 PolarHBondContact O-N 3.4Å; T430-G432 PolarHBondContact OG1-O 3.48Å; T430-G432 VanDerWaalsContact OG1-O 3.07Å; T430-F447 HydrophobicContact CG2-CB 4.07Å
431S86.4Confident93.6Very high1 Ų142.2 Ų42.21%0.00724%0.24CC..SBendtrans-81.774.2172.9-162.70000110.4R445 P446 G518 K522S431-R445 PolarHBondContact O-NH1 3.19Å; S431-P446 PolarHBondContact N-O 3.24Å; S431-G518 VanDerWaalsContact OG-CA 3.24Å; S431-G518 WeakPolarHBondContact OG-CA 3.36Å; S431-G518 PolarHBondContact OG-O 2.62Å; S431-K522 PolarHBondContact O-NZ 3.19Å; S431-K522 PolarHBondContact OG-NZ 3.46Å
432G86.1Confident93.6Very high25 Ų2544 Ų4426%0.25826%0.258SS..SBendtrans82.3177.8-177.100000114.5Q393 T430 R445Q393-G432 PolarHBondContact NE2-O 3.17Å; T430-G432 PolarHBondContact O-N 3.4Å; T430-G432 PolarHBondContact OG1-O 3.48Å; T430-G432 VanDerWaalsContact OG1-O 3.07Å; G432-R445 VanDerWaalsContact O-CD 3.3Å; G432-R445 WeakPolarHBondContact O-CD 3.24Å; G432-R445 PolarHBondContact O-NE 2.67Å
433R89.7Confident93.7Very high124 Ų12443.6 Ų43.647%0.46824%0.244SC..  trans-130.4139.8-173.1-179.3173.2-173.8110.6-8.5112.1Q393 S394Q393-R433 HydrophobicContact CB-CG 4.29Å; Q393-R433 VanDerWaalsContact OE1-CG 3.28Å; S394-R433 PolarHBondContact OG-NH1 3.39Å
434E92.6Very high93.9Very high8 Ų838.8 Ų38.84%0.03722%0.219CC..  trans-95.8156.2164.966.6-76167.600112Y384 K386 V438 R445 V685Y384-E434 WeakPolarHBondContact CE2-OE1 3.44Å; Y384-E434 PolarHBondContact OH-OE1 3.05Å; Y384-E434 PolarHBondContact OH-OE2 3.37Å; K386-E434 HydrophobicContact CD-CG 4.21Å; E434-V438 HydrophobicContact CB-CB 4Å; E434-V438 HydrophobicContact CB-CG1 3.82Å; E434-V438 HydrophobicContact CG-CB 4.32Å; E434-V438 HydrophobicContact CG-CG1 4.34Å; E434-R445 IonicContact OE2-CZ 3.42Å; E434-R445 VanDerWaalsContact OE2-CZ 3.25Å; E434-R445 IonicContact OE2-NE 3.59Å; E434-R445 PolarHBondContact OE2-NE 2.9Å; E434-R445 IonicContact OE2-NH2 3.55Å; E434-R445 PolarHBondContact OE2-NH2 3.36Å; E434-V685 HydrophobicContact CB-CG2 4.43Å
435D92.8Very high93.8Very high52 Ų5238.2 Ų38.228%0.27821%0.214SC..  trans-65.4160.5173.7-68.3-32.4000110.6K386 D437 V438 R594 K656K386-D435 PolarHBondContact NZ-O 3.1Å; K386-D435 VanDerWaalsContact NZ-O 3.13Å; D435-D437 WeakPolarHBondContact CB-OD1 3.22Å; D435-D437 PolarHBondContact O-N 3.35Å; D435-V438 HydrophobicContact CB-CG2 3.8Å; D435-V438 WeakPolarHBondContact O-CB 3.38Å; D435-V438 PolarHBondContact O-N 3.23Å; D435-V438 VanDerWaalsContact O-N 3.13Å; D435-R594 IonicContact OD1-NH1 3.55Å; D435-R594 PolarHBondContact OD1-NH1 3Å; D435-R594 IonicContact OD2-CZ 3.49Å; D435-R594 IonicContact OD2-NH1 2.73Å; D435-R594 PolarHBondContact OD2-NH1 2.79Å; D435-R594 IonicContact OD2-NH2 3.7Å; D435-R594 PolarHBondContact OD2-NH2 3.41Å; D435-K656 IonicContact OD2-NZ 3.45Å
436V95.2Very high93.8Very high43 Ų4332.5 Ų32.526%0.26119%0.187SC..THydrogen-bonded Turntrans-58.6-35.2-175.7640000112.8K386 R389 P392 W396 L404K386-V436 PolarHBondContact NZ-O 3.37Å; R389-V436 CarbonylContact C-O 3.51Å; P392-V436 HydrophobicContact CB-CG2 4.34Å; W396-V436 HydrophobicContact CE3-CG2 4.32Å; W396-V436 HydrophobicContact CH2-CG1 4.44Å; W396-V436 HydrophobicContact CZ3-CB 4.14Å; W396-V436 HydrophobicContact CZ3-CG1 3.99Å; W396-V436 HydrophobicContact CZ3-CG2 4.02Å; L404-V436 HydrophobicContact CD1-CG2 3.6Å
437D95.4Very high93.7Very high60 Ų6030.9 Ų30.932%0.32118%0.176SC..THydrogen-bonded Turntrans-84-5.1-178.659.7-38.7000114.5R389 D435 K656R389-D437 WeakPolarHBondContact CG-O 3.43Å; R389-D437 PolarHBondContact NH1-O 3.41Å; R389-D437 VanDerWaalsContact O-CA 3.29Å; R389-D437 WeakPolarHBondContact O-CA 3.36Å; D435-D437 WeakPolarHBondContact CB-OD1 3.22Å; D435-D437 PolarHBondContact O-N 3.35Å; D437-K656 IonicContact OD1-NZ 3.29Å; D437-K656 PolarHBondContact OD1-NZ 3.2Å; D437-K656 IonicContact OD2-NZ 2.78Å; D437-K656 PolarHBondContact OD2-NZ 2.84Å
438V97Very high93.8Very high3 Ų327.6 Ų27.62%0.01815%0.154CC..  trans-97.4129.8-175.4175.80000110.5K386 E434 D435 L683 V685K386-V438 WeakPolarHBondContact CD-O 3.44Å; K386-V438 WeakPolarHBondContact CE-O 3.42Å; K386-V438 PolarHBondContact NZ-O 3.39Å; E434-V438 HydrophobicContact CB-CB 4Å; E434-V438 HydrophobicContact CB-CG1 3.82Å; E434-V438 HydrophobicContact CG-CB 4.32Å; E434-V438 HydrophobicContact CG-CG1 4.34Å; D435-V438 HydrophobicContact CB-CG2 3.8Å; D435-V438 WeakPolarHBondContact O-CB 3.38Å; D435-V438 PolarHBondContact O-N 3.23Å; D435-V438 VanDerWaalsContact O-N 3.13Å; V438-L683 WeakPolarHBondContact CA-O 3.49Å; V438-L683 HydrophobicContact CG1-CD2 4.48Å; V438-L683 HydrophobicContact CG1-CG 4.29Å; V438-L683 HydrophobicContact CG2-CB 4.09Å; V438-L683 HydrophobicContact CG2-CD2 3.96Å; V438-L683 HydrophobicContact CG2-CG 4.25Å; V438-V685 HydrophobicContact CG1-CG2 4.02Å
439R96.8Very high93.8Very high21 Ų2126.6 Ų26.68%0.07915%0.15CC..EExtended strand (participates in β ladder)trans-80.2154.2170.9-56.5-172.2-63.6175.60.7110.3K386 L387 R389 L441 E626 D629 L683 D684 V685K386-R439 CarbonylContact O-C 3.58Å; K386-R439 WeakPolarHBondContact O-CA 3.35Å; K386-R439 WeakPolarHBondContact O-CB 3.26Å; L387-R439 WeakPolarHBondContact O-CD 3.5Å; R389-R439 HydrophobicContact CG-CG 3.9Å; R439-L441 HydrophobicContact CB-CD2 3.95Å; R439-L441 HydrophobicContact CB-CG 4.09Å; R439-E626 PolarHBondContact NH2-O 3.16Å; R439-D629 IonicContact CZ-OD2 3.26Å; R439-L683 PolarHBondContact N-O 3.28Å; R439-D684 WeakPolarHBondContact CB-OD1 3.26Å; R439-D684 IonicContact CZ-OD1 3.63Å; R439-D684 IonicContact CZ-OD2 2.74Å; R439-D684 IonicContact NE-OD1 3.11Å; R439-D684 PolarHBondContact NE-OD1 3.38Å; R439-D684 IonicContact NE-OD2 3.32Å; R439-D684 PolarHBondContact NE-OD2 2.95Å; R439-D684 IonicContact NH2-OD1 2.73Å; R439-D684 IonicContact NH2-OD2 2.84Å; R439-D684 PolarHBondContact NH2-OD2 3.01Å; R439-D684 WeakPolarHBondContact O-CA 3.23Å; R439-V685 PolarHBondContact O-N 3.18Å
440C96.8Very high94Very high0 Ų026.5 Ų26.50%015%0.148CC..EExtended strand (participates in β ladder)trans-122.1103.7170.6-171.80000108.5Y384 V385 K386 V685Y384-C440 HydrophobicContact CE2-CB 4.27Å; V385-C440 CarbonylContact C-O 3.53Å; V385-C440 WeakPolarHBondContact CA-O 3.25Å; V385-C440 WeakPolarHBondContact CG1-O 3.31Å; K386-C440 HydrophobicContact CB-CB 3.93Å; K386-C440 PolarHBondContact N-O 3.04Å; K386-C440 PolarHBondContact O-N 3.07Å; C440-V685 CarbonylContact C-O 3.47Å; C440-V685 HydrophobicContact CB-CB 4.45Å
441L95.4Very high94.2Very high14 Ų1425 Ų257%0.07314%0.139CC..EExtended strand (participates in β ladder)trans-107-160.3-171.4-53.4-176.9000111L387 R439 G444 D684 V685L387-L441 HydrophobicContact CD2-CD2 3.82Å; R439-L441 HydrophobicContact CB-CD2 3.95Å; R439-L441 HydrophobicContact CB-CG 4.09Å; L441-G444 PolarHBondContact O-N 3.34Å; L441-D684 HydrophobicContact CD1-CB 4.03Å; L441-D684 HydrophobicContact CG-CB 4.41Å; L441-V685 PolarHBondContact N-O 3.27Å
442G93.2Very high94.7Very high44 Ų4426.5 Ų26.545%0.45415%0.15SC..EExtended strand (participates in β ladder)trans63.3-135.5-178.500000111.7G444G442-G444 PolarHBondContact O-N 3.33Å
443L93.1Very high95.1Very high73 Ų7326.4 Ų26.438%0.38214%0.143SC..EExtended strand (participates in β ladder)trans-74.9-2.1174.2-60.6-179.8000113.2R383 R501R383-L443 VanDerWaalsContact CB-O 3.28Å; R383-L443 WeakPolarHBondContact CB-O 3.26Å; R383-L443 WeakPolarHBondContact CD-O 3.35Å; L443-R501 WeakPolarHBondContact O-CD 3.19Å
444G95Very high95.4Very high3 Ų320.5 Ų20.53%0.03112%0.121CC..EExtended strand (participates in β ladder)trans79.9172.8179.900000114.4R383 Y384 L441 G442R383-G444 PolarHBondContact NH1-O 2.88Å; Y384-G444 CarbonylContact O-C 3.5Å; Y384-G444 WeakPolarHBondContact O-CA 3.41Å; L441-G444 PolarHBondContact O-N 3.34Å; G442-G444 PolarHBondContact O-N 3.33Å
445R94.4Very high95.6Very high1 Ų121.6 Ų21.60%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-88132.5179.3179.4-176.5-56.3-65.1-9.3110.5R383 Y384 S431 G432 E434R383-R445 CarbonylContact C-O 3.53Å; R383-R445 VanDerWaalsContact CA-O 3.23Å; R383-R445 WeakPolarHBondContact CA-O 3.18Å; Y384-R445 HydrophobicContact CD1-CB 4.23Å; Y384-R445 HydrophobicContact CE1-CB 3.77Å; Y384-R445 HydrophobicContact CE1-CG 4Å; Y384-R445 HydrophobicContact CE2-CB 4.27Å; Y384-R445 PolarHBondContact N-O 3.45Å; Y384-R445 PolarHBondContact O-N 2.87Å; Y384-R445 VanDerWaalsContact OH-CD 3.27Å; Y384-R445 WeakPolarHBondContact OH-CD 3.43Å; Y384-R445 PolarHBondContact OH-NE 3.14Å; S431-R445 PolarHBondContact O-NH1 3.19Å; G432-R445 VanDerWaalsContact O-CD 3.3Å; G432-R445 WeakPolarHBondContact O-CD 3.24Å; G432-R445 PolarHBondContact O-NE 2.67Å; E434-R445 IonicContact OE2-CZ 3.42Å; E434-R445 VanDerWaalsContact OE2-CZ 3.25Å; E434-R445 IonicContact OE2-NE 3.59Å; E434-R445 PolarHBondContact OE2-NE 2.9Å; E434-R445 IonicContact OE2-NH2 3.55Å; E434-R445 PolarHBondContact OE2-NH2 3.36Å
446P95.3Very high95.6Very high0 Ų021 Ų210%012%0.122CC..EExtended strand (participates in β ladder)trans-60.3134.3169.4-27.839000113.8G382 R383 S431 L690 W692G382-P446 WeakPolarHBondContact O-CA 3.32Å; R383-P446 HydrophobicContact CG-CG 4.38Å; S431-P446 PolarHBondContact N-O 3.24Å; P446-L690 HydrophobicContact CB-CD2 4.25Å; P446-L690 HydrophobicContact CG-CD2 4.08Å; P446-W692 HydrophobicContact CB-CE3 4.05Å; P446-W692 HydrophobicContact CB-CZ3 4.39Å; P446-W692 WeakPolarHBondContact CB-O 3.22Å; P446-W692 WeakPolarHBondContact CG-O 3.39Å
447F95.9Very high95.4Very high0 Ų019.3 Ų19.30%011%0.112CC..EExtended strand (participates in β ladder)trans-138.8161.7173.873.7-91.7000111.2A381 G382 Y384 I412 F428 I429 T430 I449 I500 L503A381-F447 VanDerWaalsContact CA-O 3.31Å; A381-F447 WeakPolarHBondContact CA-O 3.45Å; G382-F447 VanDerWaalsContact C-CD1 3.44Å; G382-F447 PolarHBondContact N-O 2.96Å; G382-F447 VanDerWaalsContact O-CD1 3.25Å; G382-F447 WeakPolarHBondContact O-CD1 3.16Å; G382-F447 PolarHBondContact O-N 3.38Å; Y384-F447 HydrophobicContact CD1-CB 4.21Å; Y384-F447 AromaticContact CD1-CD1 3.79Å; Y384-F447 HydrophobicContact CD1-CD1 3.79Å; Y384-F447 HydrophobicContact CD1-CG 4.32Å; Y384-F447 HydrophobicContact CG-CD1 4.44Å; I412-F447 HydrophobicContact CD1-CE1 4.39Å; I412-F447 HydrophobicContact CD1-CZ 4.43Å; I412-F447 HydrophobicContact CG2-CE2 4.18Å; I412-F447 HydrophobicContact CG2-CZ 4.23Å; F428-F447 HydrophobicContact CD2-CD2 4.22Å; F428-F447 HydrophobicContact CE2-CB 3.96Å; F428-F447 AromaticContact CE2-CD2 3.42Å; F428-F447 HydrophobicContact CE2-CD2 3.42Å; F428-F447 VanDerWaalsContact CE2-CD2 3.42Å; F428-F447 HydrophobicContact CE2-CE2 4.05Å; F428-F447 AromaticContact CE2-CG 3.76Å; F428-F447 HydrophobicContact CE2-CG 3.76Å; F428-F447 HydrophobicContact CZ-CB 3.79Å; F428-F447 HydrophobicContact CZ-CD2 4.07Å; F428-F447 AromaticContact CZ-CG 3.91Å; F428-F447 HydrophobicContact CZ-CG 3.91Å; I429-F447 CarbonylContact O-C 3.55Å; I429-F447 VanDerWaalsContact O-CA 3.29Å; I429-F447 WeakPolarHBondContact O-CA 3.18Å; T430-F447 HydrophobicContact CG2-CB 4.07Å; F447-I449 HydrophobicContact CD2-CD1 4.49Å; F447-I449 HydrophobicContact CD2-CG1 3.95Å; F447-I449 HydrophobicContact CE2-CD1 3.85Å; F447-I449 HydrophobicContact CE2-CG1 3.76Å; F447-I500 HydrophobicContact CE1-CB 4.33Å; F447-I500 HydrophobicContact CE1-CG2 3.96Å; F447-I500 HydrophobicContact CZ-CB 4.41Å; F447-I500 HydrophobicContact CZ-CG2 4.1Å; F447-L503 HydrophobicContact CE2-CD1 4.32Å; F447-L503 HydrophobicContact CZ-CD1 4.09Å
448A96.7Very high95.1Very high0 Ų016.4 Ų16.40%010%0.097CC..EExtended strand (participates in β ladder)trans-128.8153.5165.100000110.4Y379 L380 I429 A511 L515 W692Y379-A448 HydrophobicContact CD1-CB 4.49Å; L380-A448 CarbonylContact O-C 3.58Å; L380-A448 VanDerWaalsContact O-CA 3.23Å; L380-A448 WeakPolarHBondContact O-CA 3.42Å; I429-A448 PolarHBondContact N-O 3.48Å; I429-A448 PolarHBondContact O-N 3.46Å; A448-A511 HydrophobicContact CB-CB 4.4Å; A448-L515 HydrophobicContact CB-CD1 3.82Å; A448-W692 HydrophobicContact CB-CH2 4.15Å
449I97.2Very high94.6Very high0 Ų018 Ų180%011%0.107CC..EExtended strand (participates in β ladder)trans-119.7113.8170.5-50.1176.4000106.1Y379 L380 I412 T413 I416 C427 F428 F447 L451Y379-I449 WeakPolarHBondContact CA-O 3.47Å; L380-I449 HydrophobicContact CB-CB 4.33Å; L380-I449 PolarHBondContact N-O 3.37Å; L380-I449 PolarHBondContact O-N 3.02Å; I412-I449 HydrophobicContact CG2-CD1 3.74Å; T413-I449 HydrophobicContact CG2-CD1 4.25Å; T413-I449 HydrophobicContact CG2-CG2 4.24Å; I416-I449 HydrophobicContact CD1-CD1 3.44Å; I416-I449 VanDerWaalsContact CD1-CD1 3.44Å; C427-I449 WeakPolarHBondContact O-CA 3.26Å; F428-I449 HydrophobicContact CD2-CG1 4.06Å; F428-I449 HydrophobicContact CE2-CG1 4.44Å; F447-I449 HydrophobicContact CD2-CD1 4.49Å; F447-I449 HydrophobicContact CD2-CG1 3.95Å; F447-I449 HydrophobicContact CE2-CD1 3.85Å; F447-I449 HydrophobicContact CE2-CG1 3.76Å; I449-L451 HydrophobicContact CG2-CD2 3.89Å; I449-L451 HydrophobicContact CG2-CG 3.91Å; I449-L451 PolarHBondContact O-N 3.49Å
450E97Very high94.3Very high53 Ų5320.3 Ų20.325%0.24812%0.119CC..EExtended strand (participates in β ladder)trans-80.9109.5167.2-177.2-173.4162.500107.7P377 Y379 S426 C427 I429P377-E450 HydrophobicContact CB-CG 3.39Å; P377-E450 HydrophobicContact CG-CG 3.62Å; P377-E450 WeakPolarHBondContact CG-OE1 3.42Å; Y379-E450 HydrophobicContact CD1-CB 4.3Å; Y379-E450 HydrophobicContact CE1-CB 3.87Å; Y379-E450 HydrophobicContact CE1-CG 4.05Å; Y379-E450 HydrophobicContact CE2-CG 4.38Å; S426-E450 CarbonylContact C-O 3.41Å; S426-E450 VanDerWaalsContact CA-O 3.23Å; S426-E450 WeakPolarHBondContact CA-O 3.41Å; C427-E450 HydrophobicContact CB-CB 4.11Å; C427-E450 PolarHBondContact N-O 3.06Å; C427-E450 PolarHBondContact O-N 3.42Å; I429-E450 HydrophobicContact CD1-CB 4.33Å
451L96.8Very high94Very high1 Ų120.4 Ų20.41%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-99.3118.5177.7-73.3174.7000110.5P377 L378 L380 I416 L417 F420 Q425 I449 Y454P377-L451 CarbonylContact C-O 3.58Å; P377-L451 WeakPolarHBondContact CA-O 3.06Å; P377-L451 WeakPolarHBondContact CB-O 3.32Å; L378-L451 HydrophobicContact CB-CB 4.39Å; L378-L451 PolarHBondContact N-O 2.73Å; L378-L451 PolarHBondContact O-N 3.37Å; L380-L451 HydrophobicContact CD1-CD1 3.42Å; L380-L451 VanDerWaalsContact CD1-CD1 3.42Å; L380-L451 HydrophobicContact CD1-CG 4.45Å; L380-L451 HydrophobicContact CD2-CD1 4.38Å; L380-L451 HydrophobicContact CG-CD1 3.75Å; I416-L451 HydrophobicContact CG2-CD1 4.09Å; I416-L451 HydrophobicContact CG2-CD2 4.23Å; L417-L451 HydrophobicContact CD2-CD2 3.98Å; F420-L451 HydrophobicContact CD1-CD1 3.67Å; F420-L451 HydrophobicContact CE1-CD1 3.61Å; F420-L451 HydrophobicContact CG-CD1 4.28Å; F420-L451 HydrophobicContact CZ-CD1 4.2Å; Q425-L451 CarbonylContact O-C 3.53Å; Q425-L451 WeakPolarHBondContact O-CA 3.25Å; I449-L451 HydrophobicContact CG2-CD2 3.89Å; I449-L451 HydrophobicContact CG2-CG 3.91Å; I449-L451 PolarHBondContact O-N 3.49Å; L451-Y454 HydrophobicContact CB-CD1 4.44Å; L451-Y454 WeakPolarHBondContact O-CD1 3.37Å
452S96Very high93.7Very high32 Ų3220 Ų2022%0.22412%0.117CC..EExtended strand (participates in β ladder)trans-105.8155.7174.5-48.10000110.4A424 Q425 Y454A424-S452 WeakPolarHBondContact CA-O 3.31Å; Q425-S452 PolarHBondContact N-O 3.45Å; Q425-S452 PolarHBondContact O-N 3.26Å; S452-Y454 VanDerWaalsContact C-N 3.26Å; S452-Y454 PolarHBondContact O-N 3.2Å
453N95.6Very high93.5Very high23 Ų2323.3 Ų23.312%0.12312%0.121CC..SBendtrans55.336.4171.5-62-21.5000114.8Y101 V373 R374 N423Y101-N453 WeakPolarHBondContact OH-CB 3.39Å; V373-N453 WeakPolarHBondContact CA-OD1 3.24Å; V373-N453 WeakPolarHBondContact CB-OD1 3.36Å; V373-N453 WeakPolarHBondContact CG1-OD1 3.39Å; R374-N453 PolarHBondContact N-OD1 3.49Å; N423-N453 WeakPolarHBondContact O-CB 3.33Å
454Y95.9Very high93.5Very high0 Ų026.9 Ų26.90%013%0.13CC..  trans-79.7143.8171.757.7-86.5000111Y101 S218 R374 L378 F420 L451 S452 L456 I461Y101-Y454 WeakPolarHBondContact CD1-O 3.23Å; S218-Y454 VanDerWaalsContact CA-OH 3.3Å; S218-Y454 WeakPolarHBondContact CA-OH 3.12Å; S218-Y454 WeakPolarHBondContact CB-OH 3.32Å; S218-Y454 PolarHBondContact O-OH 2.97Å; R374-Y454 HydrophobicContact CB-CE1 4.36Å; R374-Y454 HydrophobicContact CG-CD1 4.14Å; R374-Y454 HydrophobicContact CG-CE1 3.82Å; R374-Y454 HydrophobicContact CG-CE2 4.37Å; R374-Y454 PolarHBondContact NE-O 2.99Å; R374-Y454 PolarHBondContact NH2-O 3.35Å; L378-Y454 HydrophobicContact CB-CD1 4.03Å; L378-Y454 HydrophobicContact CB-CE1 3.5Å; L378-Y454 VanDerWaalsContact CB-CE1 3.5Å; L378-Y454 HydrophobicContact CD2-CE2 4.44Å; F420-Y454 CarbonylContact O-C 3.44Å; F420-Y454 VanDerWaalsContact O-CA 3.26Å; F420-Y454 WeakPolarHBondContact O-CA 3.22Å; L451-Y454 HydrophobicContact CB-CD1 4.44Å; L451-Y454 WeakPolarHBondContact O-CD1 3.37Å; S452-Y454 VanDerWaalsContact C-N 3.26Å; S452-Y454 PolarHBondContact O-N 3.2Å; Y454-L456 WeakPolarHBondContact CD2-O 3.37Å; Y454-L456 WeakPolarHBondContact CE2-O 3.49Å; Y454-I461 HydrophobicContact CD2-CD1 4.06Å
455E95.2Very high93.4Very high31 Ų3127.9 Ų27.915%0.14513%0.133CC..SBendtrans-78.6-49.4-171.5-74.1172.6-164.400112.4R100 Q102 R374 F420 G421 A422R100-E455 HydrophobicContact CB-CB 4.34Å; R100-E455 HydrophobicContact CB-CG 3.75Å; R100-E455 WeakPolarHBondContact CB-OE2 3.29Å; R100-E455 WeakPolarHBondContact CD-OE2 3.33Å; R100-E455 WeakPolarHBondContact O-CB 3.24Å; Q102-E455 PolarHBondContact N-O 2.68Å; R374-E455 PolarHBondContact NH2-O 3.35Å; F420-E455 PolarHBondContact O-N 3.06Å; G421-E455 WeakPolarHBondContact CA-OE1 3.43Å; A422-E455 PolarHBondContact N-OE1 3.09Å
456L93.6Very high93.2Very high39 Ų3928 Ų2820%0.20413%0.133CC..SBendtrans-77.3155-173.5-58.7-179.3000113.3R374 Y454 Q460 I461R374-L456 PolarHBondContact NH2-O 3Å; R374-L456 VanDerWaalsContact NH2-O 3.09Å; Y454-L456 WeakPolarHBondContact CD2-O 3.37Å; Y454-L456 WeakPolarHBondContact CE2-O 3.49Å; L456-Q460 HydrophobicContact CB-CB 4.4Å; L456-I461 HydrophobicContact CB-CD1 4.44Å; L456-I461 HydrophobicContact CB-CG1 4.02Å
457L91.5Very high92.8Very high7 Ų731.3 Ų31.34%0.03715%0.154CC..  trans-65.7148166.9-70.5169.3000111.3Q102 T104 N219 S459 Q460 I461Q102-L457 HydrophobicContact CB-CD1 4.34Å; Q102-L457 HydrophobicContact CB-CG 3.81Å; Q102-L457 WeakPolarHBondContact O-CD2 3.43Å; T104-L457 HydrophobicContact CG2-CD1 4.26Å; T104-L457 HydrophobicContact CG2-CD2 4.29Å; N219-L457 HydrophobicContact CB-CD2 4.01Å; L457-S459 PolarHBondContact O-N 2.9Å; L457-Q460 HydrophobicContact CB-CG 4.41Å; L457-Q460 PolarHBondContact O-N 3.08Å; L457-I461 WeakPolarHBondContact O-CG1 3.41Å; L457-I461 PolarHBondContact O-N 3.46Å
458P89.5Confident91.8Very high0 Ų035.1 Ų35.10%017%0.174CC..Hα-helixtrans-49.5-40.4171.2-25.431.8000113.6Y214 S218 N219 L378 Q460 I461 I462 L505Y214-P458 HydrophobicContact CD2-CB 4.07Å; Y214-P458 HydrophobicContact CD2-CG 4.24Å; Y214-P458 HydrophobicContact CE2-CB 3.65Å; Y214-P458 HydrophobicContact CE2-CG 3.91Å; S218-P458 VanDerWaalsContact OG-CG 3.26Å; S218-P458 WeakPolarHBondContact OG-CG 3.47Å; N219-P458 WeakPolarHBondContact OD1-CD 3.27Å; N219-P458 WeakPolarHBondContact OD1-CG 3.37Å; L378-P458 HydrophobicContact CD1-CB 4.38Å; L378-P458 HydrophobicContact CD1-CG 4.12Å; P458-Q460 VanDerWaalsContact C-N 3.33Å; P458-Q460 PolarHBondContact O-N 3.25Å; P458-I461 WeakPolarHBondContact O-CB 3.09Å; P458-I461 PolarHBondContact O-N 3.07Å; P458-I462 WeakPolarHBondContact O-CD1 3.32Å; P458-I462 VanDerWaalsContact O-CG1 3.26Å; P458-I462 WeakPolarHBondContact O-CG1 3.43Å; P458-I462 PolarHBondContact O-N 3.01Å; P458-L505 HydrophobicContact CB-CD2 4.35Å
459S86.2Confident90.2Very high35 Ų3539 Ų3925%0.24520%0.195CC..Hα-helixtrans-57.3-43.7176.454.30000112.4L457 I462 Q463L457-S459 PolarHBondContact O-N 2.9Å; S459-I462 PolarHBondContact O-N 2.99Å; S459-Q463 WeakPolarHBondContact O-CB 3.49Å; S459-Q463 PolarHBondContact O-N 3.06Å
460Q89.2Confident88.5Confident70 Ų7044.3 Ų44.333%0.32722%0.218SC..Hα-helixtrans-72.5-34.7177.1-62.5-168.47.100112.4Q102 L456 L457 P458 I462 Q463 R464Q102-Q460 VanDerWaalsContact OE1-NE2 3.12Å; L456-Q460 HydrophobicContact CB-CB 4.4Å; L457-Q460 HydrophobicContact CB-CG 4.41Å; L457-Q460 PolarHBondContact O-N 3.08Å; P458-Q460 VanDerWaalsContact C-N 3.33Å; P458-Q460 PolarHBondContact O-N 3.25Å; Q460-I462 VanDerWaalsContact C-N 3.33Å; Q460-Q463 PolarHBondContact O-N 3.49Å; Q460-R464 VanDerWaalsContact O-CB 3.26Å; Q460-R464 WeakPolarHBondContact O-CB 3.44Å; Q460-R464 PolarHBondContact O-N 3.03Å
461I91.4Very high86.4Confident3 Ų346.2 Ų46.22%0.01523%0.229CC..Hα-helixtrans-60-47.1173-68.4163.6000109.6L378 F420 Y454 L456 L457 P458 R464 W465 L483L378-I461 HydrophobicContact CD2-CD1 3.77Å; F420-I461 HydrophobicContact CD1-CD1 3.93Å; F420-I461 HydrophobicContact CD1-CG1 4.48Å; F420-I461 HydrophobicContact CE1-CD1 3.69Å; F420-I461 HydrophobicContact CE1-CG1 4.09Å; F420-I461 HydrophobicContact CE1-CG2 3.8Å; F420-I461 HydrophobicContact CZ-CG2 3.82Å; Y454-I461 HydrophobicContact CD2-CD1 4.06Å; L456-I461 HydrophobicContact CB-CD1 4.44Å; L456-I461 HydrophobicContact CB-CG1 4.02Å; L457-I461 WeakPolarHBondContact O-CG1 3.41Å; L457-I461 PolarHBondContact O-N 3.46Å; P458-I461 WeakPolarHBondContact O-CB 3.09Å; P458-I461 PolarHBondContact O-N 3.07Å; I461-R464 PolarHBondContact O-N 3.2Å; I461-W465 WeakPolarHBondContact O-CB 3.45Å; I461-W465 PolarHBondContact O-N 3.42Å; I461-L483 HydrophobicContact CG2-CD2 4.36Å
462I89.6Confident84.3Confident4 Ų446.8 Ų46.82%0.02123%0.234CC..Hα-helixtrans-61.2-51.8177.2-65.3157.8000110.2Y214 P458 S459 Q460 R464 W465 S466 L481 L505Y214-I462 HydrophobicContact CE1-CD1 4.32Å; P458-I462 WeakPolarHBondContact O-CD1 3.32Å; P458-I462 VanDerWaalsContact O-CG1 3.26Å; P458-I462 WeakPolarHBondContact O-CG1 3.43Å; P458-I462 PolarHBondContact O-N 3.01Å; S459-I462 PolarHBondContact O-N 2.99Å; Q460-I462 VanDerWaalsContact C-N 3.33Å; I462-R464 PolarHBondContact O-N 3.27Å; I462-R464 VanDerWaalsContact O-N 3.14Å; I462-W465 PolarHBondContact O-N 3.1Å; I462-W465 VanDerWaalsContact O-N 3.14Å; I462-S466 WeakPolarHBondContact O-CB 3.45Å; I462-S466 PolarHBondContact O-N 2.77Å; I462-L481 HydrophobicContact CD1-CD1 3.82Å; I462-L481 HydrophobicContact CD1-CD2 4.31Å; I462-L505 HydrophobicContact CD1-CD2 4.11Å; I462-L505 HydrophobicContact CG1-CD2 4.43Å
463Q88.6Confident82.1Confident115 Ų11548.2 Ų48.254%0.53724%0.241SC..Hα-helixtrans-55.9-35.1179.5-171.3-176.213.100112.6S459 Q460 N469S459-Q463 WeakPolarHBondContact O-CB 3.49Å; S459-Q463 PolarHBondContact O-N 3.06Å; Q460-Q463 PolarHBondContact O-N 3.49Å; Q463-N469 PolarHBondContact O-OD1 3.05Å
464R92.1Very high79.9Confident148 Ų14852.4 Ų52.456%0.55826%0.26SS*.Hα-helixtrans-77.9-38.3179.7-173.6174.5178.7115.61.8113Q460 I461 I462Q460-R464 VanDerWaalsContact O-CB 3.26Å; Q460-R464 WeakPolarHBondContact O-CB 3.44Å; Q460-R464 PolarHBondContact O-N 3.03Å; I461-R464 PolarHBondContact O-N 3.2Å; I462-R464 PolarHBondContact O-N 3.27Å; I462-R464 VanDerWaalsContact O-N 3.14Å
465W93.5Very high77.9Confident24 Ų2453.3 Ų53.39%0.09127%0.266CS..Hα-helixtrans-117.7-10.7-163.5-67.8115.6000116R419 I461 I462 L483 L484 K485 L486 F489R419-W465 HydrophobicContact CB-CZ2 4.17Å; R419-W465 HydrophobicContact CG-CZ2 4.14Å; I461-W465 WeakPolarHBondContact O-CB 3.45Å; I461-W465 PolarHBondContact O-N 3.42Å; I462-W465 PolarHBondContact O-N 3.1Å; I462-W465 VanDerWaalsContact O-N 3.14Å; W465-L483 HydrophobicContact CB-CD2 3.96Å; W465-L483 CarbonylContact O-C 3.59Å; W465-L483 WeakPolarHBondContact O-CA 3.35Å; W465-L484 PolarHBondContact O-N 2.97Å; W465-K485 HydrophobicContact CE3-CB 4.12Å; W465-K485 VanDerWaalsContact O-CB 3.26Å; W465-K485 WeakPolarHBondContact O-CB 3.45Å; W465-K485 PolarHBondContact O-N 3.22Å; W465-L486 HydrophobicContact CB-CB 3.89Å; W465-L486 HydrophobicContact CD2-CB 3.8Å; W465-L486 HydrophobicContact CD2-CD1 4.01Å; W465-L486 HydrophobicContact CD2-CG 4.39Å; W465-L486 VanDerWaalsContact CE3-CA 3.47Å; W465-L486 HydrophobicContact CE3-CB 3.64Å; W465-L486 HydrophobicContact CE3-CD1 4.02Å; W465-L486 HydrophobicContact CE3-CG 4.44Å; W465-L486 HydrophobicContact CG-CB 3.92Å; W465-L486 HydrophobicContact CH2-CD1 4.31Å; W465-L486 HydrophobicContact CZ2-CD1 4.33Å; W465-L486 HydrophobicContact CZ3-CB 4.42Å; W465-L486 HydrophobicContact CZ3-CD1 4.15Å; W465-F489 HydrophobicContact CH2-CD1 4.48Å; W465-F489 HydrophobicContact CH2-CG 4.48Å; W465-F489 HydrophobicContact CZ3-CB 4.09Å; W465-F489 HydrophobicContact CZ3-CG 4.37Å
466S90.4Very high76.2Confident2 Ų257.6 Ų57.61%0.01429%0.29CS..  trans-82.1154.3170.8178.40000111I462 N468 N469 D482 K485I462-S466 WeakPolarHBondContact O-CB 3.45Å; I462-S466 PolarHBondContact O-N 2.77Å; S466-N468 PolarHBondContact OG-N 2.9Å; S466-N469 PolarHBondContact O-OD1 2.67Å; S466-D482 WeakPolarHBondContact CA-O 3.47Å; S466-D482 WeakPolarHBondContact CA-OD1 2.98Å; S466-D482 WeakPolarHBondContact CB-O 3.07Å; S466-D482 PolarHBondContact OG-O 2.98Å; S466-D482 PolarHBondContact OG-OD1 3.35Å; S466-D482 PolarHBondContact OG-OD2 3.19Å; S466-K485 VanDerWaalsContact O-CD 3.24Å; S466-K485 WeakPolarHBondContact O-CD 3.3Å; S466-K485 WeakPolarHBondContact O-CE 3.49Å; S466-K485 PolarHBondContact O-NZ 3.33Å
467V86.1Confident74.5Confident71 Ų7160.9 Ų60.943%0.4330%0.304SS..SBendtrans-83.6-31.9163.4-72.50000112.2N469 D482 L484 K485V467-N469 PolarHBondContact O-N 3.41Å; V467-D482 PolarHBondContact N-OD1 3.23Å; V467-D482 VanDerWaalsContact N-OD1 3.11Å; V467-L484 HydrophobicContact CB-CD2 4.49Å; V467-L484 HydrophobicContact CG1-CB 4.16Å; V467-L484 HydrophobicContact CG1-CD2 3.82Å; V467-L484 HydrophobicContact CG1-CG 4.27Å; V467-L484 HydrophobicContact CG2-CB 4.2Å; V467-L484 HydrophobicContact CG2-CD2 3.85Å; V467-K485 HydrophobicContact CG1-CG 4.02Å
468N75.5Confident73.3Confident80 Ų8067.8 Ų67.843%0.42834%0.341SS..SBendtrans-82.561174.6-61.6-48.5000109S466 K470 D482S466-N468 PolarHBondContact OG-N 2.9Å; N468-K470 PolarHBondContact O-N 2.92Å; N468-D482 PolarHBondContact ND2-OD2 3.26Å
469N63.6Low72.7Confident82 Ų8271.2 Ų71.244%0.43936%0.357SS..  trans-49.9-0.2179.6-82.37.6000115.9Q463 S466 V467 L471 K485Q463-N469 PolarHBondContact O-OD1 3.05Å; S466-N469 PolarHBondContact O-OD1 2.67Å; V467-N469 PolarHBondContact O-N 3.41Å; N469-L471 PolarHBondContact O-N 3.14Å; N469-K485 PolarHBondContact ND2-NZ 3.18Å; N469-K485 PolarHBondContact OD1-NZ 3.43Å
470K60.5Low72.6Confident111 Ų11171.2 Ų71.248%0.48336%0.356SS..SBendtrans-43.9133.1164-67.9-167.2171.7-172.70109.3N468 A472 E474N468-K470 PolarHBondContact O-N 2.92Å; K470-A472 PolarHBondContact O-N 3.37Å; K470-E474 HydrophobicContact CB-CB 4.1Å; K470-E474 HydrophobicContact CD-CB 3.98Å; K470-E474 WeakPolarHBondContact CD-OE2 3.48Å; K470-E474 HydrophobicContact CG-CB 4.44Å; K470-E474 VanDerWaalsContact CG-OE2 3.24Å; K470-E474 WeakPolarHBondContact CG-OE2 3.26Å
471L52.7Low72.6Confident93 Ų9368.1 Ų68.149%0.48734%0.342SS..  trans-53.3145.1168-70.6163.6000107.3N469 V473 E474N469-L471 PolarHBondContact O-N 3.14Å; L471-V473 HydrophobicContact CB-CB 4.28Å; L471-V473 HydrophobicContact CB-CG2 4.22Å; L471-V473 PolarHBondContact O-N 2.96Å; L471-E474 PolarHBondContact O-N 3Å
472A52.6Low72.5Confident12 Ų1268.3 Ų68.310%0.09934%0.343CS..G310 helixtrans-50.3-18.7177.400000113.1N211 K470 E474N211-A472 PolarHBondContact ND2-O 3.44Å; K470-A472 PolarHBondContact O-N 3.37Å; A472-E474 VanDerWaalsContact C-N 3.33Å
473V49.8Very low72.7Confident63 Ų6368.1 Ų68.138%0.38234%0.342SS..G310 helixtrans-63-26.1174-166.70000115.3L207 V209 L471L207-V473 HydrophobicContact CB-CG2 3.71Å; L207-V473 HydrophobicContact CD1-CG2 4.49Å; V209-V473 HydrophobicContact CG2-CB 3.97Å; V209-V473 HydrophobicContact CG2-CG1 4.33Å; V209-V473 HydrophobicContact CG2-CG2 3.8Å; L471-V473 HydrophobicContact CB-CB 4.28Å; L471-V473 HydrophobicContact CB-CG2 4.22Å; L471-V473 PolarHBondContact O-N 2.96Å
474E50.8Low73Confident111 Ų11164.8 Ų64.852%0.51933%0.328SS..G310 helixtrans-101.3-1.4-178.5-56.4176.4-168.800113.1K470 L471 A472K470-E474 HydrophobicContact CB-CB 4.1Å; K470-E474 HydrophobicContact CD-CB 3.98Å; K470-E474 WeakPolarHBondContact CD-OE2 3.48Å; K470-E474 HydrophobicContact CG-CB 4.44Å; K470-E474 VanDerWaalsContact CG-OE2 3.24Å; K470-E474 WeakPolarHBondContact CG-OE2 3.26Å; L471-E474 PolarHBondContact O-N 3Å; A472-E474 VanDerWaalsContact C-N 3.33Å
475C53.6Low73.1Confident18 Ų1861.3 Ų61.312%0.12232%0.317CS..SBendtrans-86139.1177.1-63.70000110
476N59.1Low73.2Confident121 Ų12160.2 Ų60.265%0.64731%0.312SS*.  trans-62.3148.5169-69.5-28.5000109.7D478 E479N476-D478 PolarHBondContact O-N 3.41Å; N476-E479 HydrophobicContact CB-CB 4.27Å; N476-E479 PolarHBondContact O-N 3.42Å
477E58.7Low73.4Confident109 Ų10960.2 Ų60.251%0.50931%0.313SS..THydrogen-bonded Turntrans-55.9-22.7-178.9-69.3-172.4161.600113.8S212S212-E477 PolarHBondContact OG-O 3.04Å
478D66.1Low73.9Confident151 Ų15160.1 Ų60.181%0.80732%0.315SS*.THydrogen-bonded Turntrans-101.9-1.1179.4-62-44.7000114N476 P480N476-D478 PolarHBondContact O-N 3.41Å; D478-P480 WeakPolarHBondContact O-CD 3.34Å
479E77.3Confident74.9Confident73 Ų7358.8 Ų58.834%0.34131%0.306SS..SBendtrans-83.5124.6-180-171.1169.2-155.500110.8N213 N476 L481N213-E479 PolarHBondContact ND2-O 3Å; N476-E479 HydrophobicContact CB-CB 4.27Å; N476-E479 PolarHBondContact O-N 3.42Å; E479-L481 PolarHBondContact O-N 3.28Å
480P83.6Confident76.5Confident34 Ų3454.9 Ų54.922%0.22129%0.285CS..  trans-59.8133178.9-28.637.8000113.6D478 D482 T694 L696D478-P480 WeakPolarHBondContact O-CD 3.34Å; P480-D482 PolarHBondContact O-N 3.47Å; P480-D482 VanDerWaalsContact O-N 3.07Å; P480-T694 WeakPolarHBondContact CG-OG1 3.23Å; P480-L696 HydrophobicContact CB-CD2 3.39Å; P480-L696 HydrophobicContact CG-CD2 3.99Å
481L88.2Confident78.3Confident5 Ų550.7 Ų50.73%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-8087.1173.2-68.4173.8000110.6N213 Y214 I462 E479 Q504 L505N213-L481 HydrophobicContact CB-CD1 3.57Å; N213-L481 HydrophobicContact CB-CG 3.92Å; Y214-L481 HydrophobicContact CD1-CD1 3.62Å; Y214-L481 HydrophobicContact CE1-CD1 3.84Å; I462-L481 HydrophobicContact CD1-CD1 3.82Å; I462-L481 HydrophobicContact CD1-CD2 4.31Å; E479-L481 PolarHBondContact O-N 3.28Å; L481-Q504 CarbonylContact O-C 3.37Å; L481-Q504 WeakPolarHBondContact O-CA 3.26Å; L481-Q504 VanDerWaalsContact O-CB 3.25Å; L481-Q504 WeakPolarHBondContact O-CB 3.03Å; L481-L505 HydrophobicContact CB-CB 3.98Å; L481-L505 HydrophobicContact CD1-CB 4.33Å; L481-L505 HydrophobicContact CD1-CD2 4.19Å; L481-L505 PolarHBondContact O-N 2.92Å
482D90.9Very high80.4Confident8 Ų850.8 Ų50.84%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-63.2148.3-179.881.889.8000112.9S466 V467 N468 P480 L484 L696S466-D482 WeakPolarHBondContact CA-O 3.47Å; S466-D482 WeakPolarHBondContact CA-OD1 2.98Å; S466-D482 WeakPolarHBondContact CB-O 3.07Å; S466-D482 PolarHBondContact OG-O 2.98Å; S466-D482 PolarHBondContact OG-OD1 3.35Å; S466-D482 PolarHBondContact OG-OD2 3.19Å; V467-D482 PolarHBondContact N-OD1 3.23Å; V467-D482 VanDerWaalsContact N-OD1 3.11Å; N468-D482 PolarHBondContact ND2-OD2 3.26Å; P480-D482 PolarHBondContact O-N 3.47Å; P480-D482 VanDerWaalsContact O-N 3.07Å; D482-L484 VanDerWaalsContact OD1-CB 3.31Å; D482-L484 WeakPolarHBondContact OD1-CB 3.48Å; D482-L484 PolarHBondContact OD1-N 2.65Å; D482-L484 VanDerWaalsContact OD1-N 3.08Å; D482-L696 HydrophobicContact CB-CD1 3.65Å
483L93.9Very high82.5Confident0 Ų052.9 Ų52.90%029%0.288CS..  trans-12246.8168.7-59.9174.7000109.1L380 I461 W465 K485 L486 A487 L503L380-L483 HydrophobicContact CD1-CD1 4.4Å; L380-L483 HydrophobicContact CD2-CD1 3.55Å; L380-L483 HydrophobicContact CG-CD1 4.41Å; I461-L483 HydrophobicContact CG2-CD2 4.36Å; W465-L483 HydrophobicContact CB-CD2 3.96Å; W465-L483 CarbonylContact O-C 3.59Å; W465-L483 WeakPolarHBondContact O-CA 3.35Å; L483-K485 VanDerWaalsContact C-N 3.33Å; L483-K485 PolarHBondContact O-N 2.7Å; L483-L486 HydrophobicContact CB-CB 4.19Å; L483-L486 HydrophobicContact CD1-CD2 4.42Å; L483-L486 WeakPolarHBondContact O-CB 3.43Å; L483-L486 PolarHBondContact O-N 3.4Å; L483-A487 PolarHBondContact O-N 2.76Å; L483-L503 HydrophobicContact CB-CD2 4.01Å; L483-L503 HydrophobicContact CB-CG 4.08Å; L483-L503 PolarHBondContact N-O 3.3Å
484L93.4Very high84.7Confident45 Ų4550 Ų5024%0.23627%0.27CS..Hα-helixtrans-61.7-36.9-170.318064.6000112.9W465 V467 D482 L486 A487 S488 P699W465-L484 PolarHBondContact O-N 2.97Å; V467-L484 HydrophobicContact CB-CD2 4.49Å; V467-L484 HydrophobicContact CG1-CB 4.16Å; V467-L484 HydrophobicContact CG1-CD2 3.82Å; V467-L484 HydrophobicContact CG1-CG 4.27Å; V467-L484 HydrophobicContact CG2-CB 4.2Å; V467-L484 HydrophobicContact CG2-CD2 3.85Å; D482-L484 VanDerWaalsContact OD1-CB 3.31Å; D482-L484 WeakPolarHBondContact OD1-CB 3.48Å; D482-L484 PolarHBondContact OD1-N 2.65Å; D482-L484 VanDerWaalsContact OD1-N 3.08Å; L484-L486 VanDerWaalsContact C-N 3.27Å; L484-L486 PolarHBondContact O-N 3.45Å; L484-A487 PolarHBondContact O-N 3.25Å; L484-S488 PolarHBondContact O-N 3.16Å; L484-S488 PolarHBondContact O-OG 2.95Å; L484-P699 HydrophobicContact CD2-CB 3.73Å; L484-P699 HydrophobicContact CD2-CG 4.32Å
485K94.2Very high86.8Confident75 Ų7552 Ų5233%0.32628%0.279SS..Hα-helixtrans-64.4-36.3176.1-59.6172.5177.91520111W465 S466 V467 N469 L483 F489W465-K485 HydrophobicContact CE3-CB 4.12Å; W465-K485 VanDerWaalsContact O-CB 3.26Å; W465-K485 WeakPolarHBondContact O-CB 3.45Å; W465-K485 PolarHBondContact O-N 3.22Å; S466-K485 VanDerWaalsContact O-CD 3.24Å; S466-K485 WeakPolarHBondContact O-CD 3.3Å; S466-K485 WeakPolarHBondContact O-CE 3.49Å; S466-K485 PolarHBondContact O-NZ 3.33Å; V467-K485 HydrophobicContact CG1-CG 4.02Å; N469-K485 PolarHBondContact ND2-NZ 3.18Å; N469-K485 PolarHBondContact OD1-NZ 3.43Å; L483-K485 VanDerWaalsContact C-N 3.33Å; L483-K485 PolarHBondContact O-N 2.7Å; K485-F489 WeakPolarHBondContact O-CB 2.86Å; K485-F489 PolarHBondContact O-N 2.98Å
486L95.8Very high88.7Confident0 Ų053.5 Ų53.50%030%0.299CS..Hα-helixtrans-69.3-41.6176.3-178.859.9000110.8L380 I416 F420 W465 L483 L484 F489 I490 L503L380-L486 HydrophobicContact CD1-CD2 4.28Å; I416-L486 HydrophobicContact CG1-CD1 4.37Å; F420-L486 HydrophobicContact CE2-CD2 4.01Å; F420-L486 HydrophobicContact CZ-CD2 4Å; W465-L486 HydrophobicContact CB-CB 3.89Å; W465-L486 HydrophobicContact CD2-CB 3.8Å; W465-L486 HydrophobicContact CD2-CD1 4.01Å; W465-L486 HydrophobicContact CD2-CG 4.39Å; W465-L486 VanDerWaalsContact CE3-CA 3.47Å; W465-L486 HydrophobicContact CE3-CB 3.64Å; W465-L486 HydrophobicContact CE3-CD1 4.02Å; W465-L486 HydrophobicContact CE3-CG 4.44Å; W465-L486 HydrophobicContact CG-CB 3.92Å; W465-L486 HydrophobicContact CH2-CD1 4.31Å; W465-L486 HydrophobicContact CZ2-CD1 4.33Å; W465-L486 HydrophobicContact CZ3-CB 4.42Å; W465-L486 HydrophobicContact CZ3-CD1 4.15Å; L483-L486 HydrophobicContact CB-CB 4.19Å; L483-L486 HydrophobicContact CD1-CD2 4.42Å; L483-L486 WeakPolarHBondContact O-CB 3.43Å; L483-L486 PolarHBondContact O-N 3.4Å; L484-L486 VanDerWaalsContact C-N 3.27Å; L484-L486 PolarHBondContact O-N 3.45Å; L486-F489 HydrophobicContact CD1-CD1 4.33Å; L486-F489 PolarHBondContact O-N 3.14Å; L486-I490 HydrophobicContact CD1-CD1 4.1Å; L486-I490 HydrophobicContact CD1-CG1 4.38Å; L486-I490 HydrophobicContact CG-CD1 3.87Å; L486-I490 WeakPolarHBondContact O-CD1 3.46Å; L486-I490 VanDerWaalsContact O-CG1 3.32Å; L486-I490 WeakPolarHBondContact O-CG1 3.43Å; L486-I490 PolarHBondContact O-N 3.14Å; L486-L503 HydrophobicContact CB-CD2 4.08Å; L486-L503 HydrophobicContact CD2-CD2 3.92Å; L486-L503 HydrophobicContact CG-CD2 3.88Å
487A96Very high90.5Very high3 Ų349.9 Ų49.93%0.02528%0.276CS..Hα-helixtrans-58.7-49.7174.200000111.9L483 L484 F489 I490 N491 I500 L503L483-A487 PolarHBondContact O-N 2.76Å; L484-A487 PolarHBondContact O-N 3.25Å; A487-F489 VanDerWaalsContact C-N 3.31Å; A487-F489 PolarHBondContact O-N 2.96Å; A487-I490 PolarHBondContact O-N 3.12Å; A487-N491 WeakPolarHBondContact O-CB 3.37Å; A487-N491 PolarHBondContact O-N 2.94Å; A487-N491 PolarHBondContact O-ND2 3.26Å; A487-N491 VanDerWaalsContact O-ND2 3.1Å; A487-I500 HydrophobicContact CB-CD1 4.23Å; A487-I500 HydrophobicContact CB-CG1 4.2Å; A487-L503 HydrophobicContact CB-CB 3.91Å; A487-L503 HydrophobicContact CB-CD2 4.19Å
488S95.2Very high92.4Very high69 Ų6944.8 Ų44.848%0.48325%0.252SS..Hα-helixtrans-59.3-41.1176.4-650000112.4L484 N491 S492L484-S488 PolarHBondContact O-N 3.16Å; L484-S488 PolarHBondContact O-OG 2.95Å; S488-N491 PolarHBondContact O-N 2.77Å; S488-S492 PolarHBondContact O-N 3.01Å; S488-S492 VanDerWaalsContact O-N 3.13Å
489F96.6Very high93.8Very high51 Ų5142.1 Ų42.122%0.22423%0.233CC..Hα-helixtrans-63.6-46.1175170.9-100.9000112.3P415 W465 K485 L486 A487 N491 S492 T493P415-F489 HydrophobicContact CB-CE1 3.68Å; P415-F489 HydrophobicContact CB-CZ 4.34Å; W465-F489 HydrophobicContact CH2-CD1 4.48Å; W465-F489 HydrophobicContact CH2-CG 4.48Å; W465-F489 HydrophobicContact CZ3-CB 4.09Å; W465-F489 HydrophobicContact CZ3-CG 4.37Å; K485-F489 WeakPolarHBondContact O-CB 2.86Å; K485-F489 PolarHBondContact O-N 2.98Å; L486-F489 HydrophobicContact CD1-CD1 4.33Å; L486-F489 PolarHBondContact O-N 3.14Å; A487-F489 VanDerWaalsContact C-N 3.31Å; A487-F489 PolarHBondContact O-N 2.96Å; F489-N491 VanDerWaalsContact C-N 3.33Å; F489-N491 PolarHBondContact O-N 2.8Å; F489-S492 PolarHBondContact O-N 2.82Å; F489-S492 PolarHBondContact O-OG 2.87Å; F489-T493 HydrophobicContact CE1-CG2 4.49Å; F489-T493 HydrophobicContact CE2-CG2 4.08Å; F489-T493 HydrophobicContact CZ-CG2 3.86Å
490I97.3Very high94.8Very high0 Ų038.7 Ų38.70%022%0.217CC..Hα-helixtrans-60.7-47.8177-69.9158.3000109.5P415 I416 L486 A487 S492 T493 T494 I500 L503P415-I490 HydrophobicContact CB-CG1 4.32Å; I416-I490 HydrophobicContact CD1-CD1 3.69Å; I416-I490 HydrophobicContact CG1-CD1 3.63Å; I416-I490 HydrophobicContact CG1-CG1 4.21Å; L486-I490 HydrophobicContact CD1-CD1 4.1Å; L486-I490 HydrophobicContact CD1-CG1 4.38Å; L486-I490 HydrophobicContact CG-CD1 3.87Å; L486-I490 WeakPolarHBondContact O-CD1 3.46Å; L486-I490 VanDerWaalsContact O-CG1 3.32Å; L486-I490 WeakPolarHBondContact O-CG1 3.43Å; L486-I490 PolarHBondContact O-N 3.14Å; A487-I490 PolarHBondContact O-N 3.12Å; I490-S492 VanDerWaalsContact C-N 3.26Å; I490-S492 PolarHBondContact O-N 2.68Å; I490-T493 PolarHBondContact O-N 3.33Å; I490-T493 PolarHBondContact O-OG1 3.21Å; I490-T494 HydrophobicContact CG2-CG2 4.24Å; I490-T494 VanDerWaalsContact O-CG2 3.31Å; I490-T494 WeakPolarHBondContact O-CG2 3.47Å; I490-T494 PolarHBondContact O-N 3.17Å; I490-I500 HydrophobicContact CB-CD1 3.86Å; I490-I500 HydrophobicContact CB-CG1 4.29Å; I490-I500 HydrophobicContact CD1-CD1 3.49Å; I490-I500 VanDerWaalsContact CD1-CD1 3.49Å; I490-I500 HydrophobicContact CG1-CD1 4.28Å; I490-I500 HydrophobicContact CG2-CD1 3.79Å; I490-I500 HydrophobicContact CG2-CG1 4.07Å; I490-L503 HydrophobicContact CD1-CD2 4.28Å
491N97.5Very high95.4Very high23 Ų2339.5 Ų39.512%0.12322%0.216CC..Hα-helixtrans-55.9-38.1-179.4-71.2-26.8000113.1A487 S488 F489 T493 T494 F499 I500A487-N491 WeakPolarHBondContact O-CB 3.37Å; A487-N491 PolarHBondContact O-N 2.94Å; A487-N491 PolarHBondContact O-ND2 3.26Å; A487-N491 VanDerWaalsContact O-ND2 3.1Å; S488-N491 PolarHBondContact O-N 2.77Å; F489-N491 VanDerWaalsContact C-N 3.33Å; F489-N491 PolarHBondContact O-N 2.8Å; N491-T493 PolarHBondContact O-N 2.81Å; N491-T494 PolarHBondContact O-N 3.47Å; N491-T494 PolarHBondContact O-OG1 3.24Å; N491-F499 HydrophobicContact CB-CD2 3.88Å; N491-F499 HydrophobicContact CB-CE2 4Å; N491-F499 VanDerWaalsContact CG-CE2 3.48Å; N491-F499 VanDerWaalsContact ND2-CD2 3.34Å; N491-F499 WeakPolarHBondContact ND2-CD2 3.43Å; N491-F499 WeakPolarHBondContact ND2-CE2 3.24Å; N491-F499 WeakPolarHBondContact ND2-CZ 3.39Å; N491-F499 WeakPolarHBondContact OD1-CA 3.49Å; N491-F499 WeakPolarHBondContact OD1-CD2 3.3Å; N491-I500 PolarHBondContact ND2-O 3.04Å; N491-I500 WeakPolarHBondContact OD1-CG1 3.18Å; N491-I500 PolarHBondContact OD1-N 3Å
492S96.7Very high95.7Very high95 Ų9539.9 Ų39.966%0.66422%0.218SC*.Hα-helixtrans-68.2-18.1177.873.80000113.8S488 F489 I490S488-S492 PolarHBondContact O-N 3.01Å; S488-S492 VanDerWaalsContact O-N 3.13Å; F489-S492 PolarHBondContact O-N 2.82Å; F489-S492 PolarHBondContact O-OG 2.87Å; I490-S492 VanDerWaalsContact C-N 3.26Å; I490-S492 PolarHBondContact O-N 2.68Å
493T96.8Very high95.9Very high56 Ų5639.5 Ų39.534%0.34422%0.216SC..Hα-helixtrans-97-11.1-179.266.80000114.4P415 F489 I490 N491 Q495P415-T493 WeakPolarHBondContact CG-OG1 3.37Å; F489-T493 HydrophobicContact CE1-CG2 4.49Å; F489-T493 HydrophobicContact CE2-CG2 4.08Å; F489-T493 HydrophobicContact CZ-CG2 3.86Å; I490-T493 PolarHBondContact O-N 3.33Å; I490-T493 PolarHBondContact O-OG1 3.21Å; N491-T493 PolarHBondContact O-N 2.81Å; T493-Q495 VanDerWaalsContact C-N 3.32Å; T493-Q495 PolarHBondContact O-N 2.73Å
494T96.4Very high95.9Very high2 Ų239.7 Ų39.71%0.01222%0.217CC..THydrogen-bonded Turntrans-81.2-4.8-171.661.70000115.1L411 I490 N491 G496 R497 V498L411-T494 HydrophobicContact CB-CG2 4.48Å; I490-T494 HydrophobicContact CG2-CG2 4.24Å; I490-T494 VanDerWaalsContact O-CG2 3.31Å; I490-T494 WeakPolarHBondContact O-CG2 3.47Å; I490-T494 PolarHBondContact O-N 3.17Å; N491-T494 PolarHBondContact O-N 3.47Å; N491-T494 PolarHBondContact O-OG1 3.24Å; T494-G496 PolarHBondContact O-N 2.7Å; T494-R497 PolarHBondContact O-N 2.96Å; T494-R497 VanDerWaalsContact O-N 3.13Å; T494-V498 WeakPolarHBondContact CB-O 3.39Å; T494-V498 HydrophobicContact CG2-CB 4.37Å; T494-V498 WeakPolarHBondContact CG2-O 3.37Å; T494-V498 PolarHBondContact OG1-O 3.24Å
495Q95.1Very high95.9Very high153 Ų15337.6 Ų37.672%0.71521%0.206SC*.THydrogen-bonded Turntrans56.230.2-175.8-55.3164.5-25.600113T493 R497T493-Q495 VanDerWaalsContact C-N 3.32Å; T493-Q495 PolarHBondContact O-N 2.73Å; Q495-R497 PolarHBondContact O-N 3.37Å
496G94.5Very high95.8Very high51 Ų5134.4 Ų34.453%0.52619%0.193SC..THydrogen-bonded Turntrans69.112.5-179.500000114.7L387 T494L387-G496 WeakPolarHBondContact CD1-O 3.08Å; T494-G496 PolarHBondContact O-N 2.7Å
497R96.7Very high95.6Very high45 Ų4535.4 Ų35.417%0.1720%0.2CC..SBendtrans-82.9-33.2177.7-65.3-169.2-76.8175.3-17.2112.9L387 S388 L391 D405 L411 T494 Q495L387-R497 PolarHBondContact N-O 3.07Å; S388-R497 PolarHBondContact N-O 3.15Å; L391-R497 HydrophobicContact CD2-CB 4.43Å; D405-R497 IonicContact OD1-NH1 2.82Å; D405-R497 PolarHBondContact OD1-NH1 3.09Å; D405-R497 IonicContact OD2-CZ 3.46Å; D405-R497 IonicContact OD2-NH1 3.26Å; D405-R497 PolarHBondContact OD2-NH1 3.48Å; D405-R497 IonicContact OD2-NH2 2.74Å; D405-R497 PolarHBondContact OD2-NH2 3.04Å; L411-R497 HydrophobicContact CD1-CB 4.08Å; T494-R497 PolarHBondContact O-N 2.96Å; T494-R497 VanDerWaalsContact O-N 3.13Å; Q495-R497 PolarHBondContact O-N 3.37Å
498V97.7Very high95.3Very high1 Ų137.1 Ų37.11%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-138.3144.9179.7175.30000108.1V385 L391 V408 L411 I412 T494 I500V385-V498 CarbonylContact O-C 3.57Å; V385-V498 VanDerWaalsContact O-CA 3.22Å; V385-V498 WeakPolarHBondContact O-CA 3.41Å; L391-V498 HydrophobicContact CD2-CG2 3.36Å; V408-V498 HydrophobicContact CB-CG2 4.44Å; V408-V498 HydrophobicContact CG1-CG1 4.29Å; V408-V498 HydrophobicContact CG1-CG2 4.37Å; V408-V498 HydrophobicContact CG2-CG2 3.99Å; L411-V498 HydrophobicContact CD1-CB 4.36Å; L411-V498 HydrophobicContact CD1-CG2 3.86Å; I412-V498 HydrophobicContact CD1-CG1 4.23Å; I412-V498 HydrophobicContact CG1-CG1 4.3Å; T494-V498 WeakPolarHBondContact CB-O 3.39Å; T494-V498 HydrophobicContact CG2-CB 4.37Å; T494-V498 WeakPolarHBondContact CG2-O 3.37Å; T494-V498 PolarHBondContact OG1-O 3.24Å; V498-I500 HydrophobicContact CG1-CG2 4.38Å
499F96.7Very high95Very high95 Ų9542 Ų4242%0.41722%0.224SC..EExtended strand (participates in β ladder)trans-129.4136.9170.1179-93.3000108.2Y384 V385 N491 R501Y384-F499 CarbonylContact C-O 3.17Å; Y384-F499 WeakPolarHBondContact CA-O 3.35Å; V385-F499 HydrophobicContact CB-CB 4.3Å; V385-F499 PolarHBondContact N-O 2.61Å; V385-F499 PolarHBondContact O-N 2.93Å; N491-F499 HydrophobicContact CB-CD2 3.88Å; N491-F499 HydrophobicContact CB-CE2 4Å; N491-F499 VanDerWaalsContact CG-CE2 3.48Å; N491-F499 VanDerWaalsContact ND2-CD2 3.34Å; N491-F499 WeakPolarHBondContact ND2-CD2 3.43Å; N491-F499 WeakPolarHBondContact ND2-CE2 3.24Å; N491-F499 WeakPolarHBondContact ND2-CZ 3.39Å; N491-F499 WeakPolarHBondContact OD1-CA 3.49Å; N491-F499 WeakPolarHBondContact OD1-CD2 3.3Å; F499-R501 HydrophobicContact CE1-CB 4Å
500I97.3Very high94.6Very high1 Ų141.6 Ų41.61%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-110.6146.9173.765.8165.4000111.1R383 I412 F447 A487 I490 N491 V498 L503R383-I500 CarbonylContact O-C 3.5Å; R383-I500 VanDerWaalsContact O-CA 3.25Å; R383-I500 WeakPolarHBondContact O-CA 3.48Å; I412-I500 HydrophobicContact CD1-CG2 3.59Å; I412-I500 HydrophobicContact CG1-CG2 3.71Å; F447-I500 HydrophobicContact CE1-CB 4.33Å; F447-I500 HydrophobicContact CE1-CG2 3.96Å; F447-I500 HydrophobicContact CZ-CB 4.41Å; F447-I500 HydrophobicContact CZ-CG2 4.1Å; A487-I500 HydrophobicContact CB-CD1 4.23Å; A487-I500 HydrophobicContact CB-CG1 4.2Å; I490-I500 HydrophobicContact CB-CD1 3.86Å; I490-I500 HydrophobicContact CB-CG1 4.29Å; I490-I500 HydrophobicContact CD1-CD1 3.49Å; I490-I500 VanDerWaalsContact CD1-CD1 3.49Å; I490-I500 HydrophobicContact CG1-CD1 4.28Å; I490-I500 HydrophobicContact CG2-CD1 3.79Å; I490-I500 HydrophobicContact CG2-CG1 4.07Å; N491-I500 PolarHBondContact ND2-O 3.04Å; N491-I500 WeakPolarHBondContact OD1-CG1 3.18Å; N491-I500 PolarHBondContact OD1-N 3Å; V498-I500 HydrophobicContact CG1-CG2 4.38Å; I500-L503 HydrophobicContact CD1-CD1 4.47Å; I500-L503 HydrophobicContact CD1-CD2 4.06Å
501R95.6Very high94.3Very high52 Ų5241.7 Ų41.720%0.19623%0.228CC..EExtended strand (participates in β ladder)trans-142169.1177.958.6179.3-63.7144.115.1110.4R383 L443 F499 L503 D698R383-R501 HydrophobicContact CB-CG 4.02Å; R383-R501 PolarHBondContact N-O 3.43Å; R383-R501 PolarHBondContact O-N 2.98Å; L443-R501 WeakPolarHBondContact O-CD 3.19Å; F499-R501 HydrophobicContact CE1-CB 4Å; R501-L503 PolarHBondContact O-N 2.77Å; R501-L503 VanDerWaalsContact O-N 3.07Å; R501-D698 IonicContact NH2-OD1 2.79Å; R501-D698 PolarHBondContact NH2-OD1 2.99Å; R501-D698 VanDerWaalsContact NH2-OD1 3.11Å
502D95.1Very high93.8Very high12 Ų1243.5 Ų43.56%0.06424%0.24CC..EExtended strand (participates in β ladder)trans55.528175.8-51.3-57.3000113Q504 L696D502-Q504 PolarHBondContact O-N 3.43Å; D502-Q504 PolarHBondContact O-NE2 3.31Å; D502-L696 HydrophobicContact CB-CG 4.32Å; D502-L696 PolarHBondContact OD1-N 3.16Å
503L96.1Very high93.3Very high1 Ų141.8 Ų41.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-69.7124.8-178.4-171.570.1000109.3L380 A381 F447 L483 L486 A487 I490 I500 R501L380-L503 HydrophobicContact CB-CD1 4.25Å; A381-L503 CarbonylContact O-C 3.59Å; A381-L503 VanDerWaalsContact O-CA 3.26Å; A381-L503 WeakPolarHBondContact O-CA 3.44Å; F447-L503 HydrophobicContact CE2-CD1 4.32Å; F447-L503 HydrophobicContact CZ-CD1 4.09Å; L483-L503 HydrophobicContact CB-CD2 4.01Å; L483-L503 HydrophobicContact CB-CG 4.08Å; L483-L503 PolarHBondContact N-O 3.3Å; L486-L503 HydrophobicContact CB-CD2 4.08Å; L486-L503 HydrophobicContact CD2-CD2 3.92Å; L486-L503 HydrophobicContact CG-CD2 3.88Å; A487-L503 HydrophobicContact CB-CB 3.91Å; A487-L503 HydrophobicContact CB-CD2 4.19Å; I490-L503 HydrophobicContact CD1-CD2 4.28Å; I500-L503 HydrophobicContact CD1-CD1 4.47Å; I500-L503 HydrophobicContact CD1-CD2 4.06Å; R501-L503 PolarHBondContact O-N 2.77Å; R501-L503 VanDerWaalsContact O-N 3.07Å
504Q93.8Very high92.7Very high4 Ų439.6 Ų39.62%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-152.2162.3-174.765.3-161-89.600111.5L380 A381 L481 D502 V506 P693 T694L380-Q504 CarbonylContact C-O 3.5Å; L380-Q504 WeakPolarHBondContact CA-O 3.04Å; A381-Q504 PolarHBondContact N-O 3.49Å; A381-Q504 PolarHBondContact O-N 2.63Å; L481-Q504 CarbonylContact O-C 3.37Å; L481-Q504 WeakPolarHBondContact O-CA 3.26Å; L481-Q504 VanDerWaalsContact O-CB 3.25Å; L481-Q504 WeakPolarHBondContact O-CB 3.03Å; D502-Q504 PolarHBondContact O-N 3.43Å; D502-Q504 PolarHBondContact O-NE2 3.31Å; Q504-V506 HydrophobicContact CG-CG1 3.95Å; Q504-P693 HydrophobicContact CG-CB 4.04Å; Q504-P693 HydrophobicContact CG-CG 4.43Å; Q504-P693 VanDerWaalsContact NE2-CB 3.32Å; Q504-T694 PolarHBondContact NE2-O 3.22Å; Q504-T694 PolarHBondContact OE1-OG1 2.78Å
505L93Very high92Very high1 Ų140.3 Ų40.31%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-77.8135.5168.8-15364.8000109.9N213 Y214 L378 L380 P458 I462 L481N213-L505 CarbonylContact O-C 3.56Å; Y214-L505 VanDerWaalsContact CB-CD2 3.49Å; Y214-L505 HydrophobicContact CD1-CD2 3.43Å; Y214-L505 VanDerWaalsContact CD1-CD2 3.43Å; Y214-L505 HydrophobicContact CD1-CG 4.43Å; Y214-L505 HydrophobicContact CD2-CD2 4.17Å; Y214-L505 HydrophobicContact CE1-CD2 4.14Å; Y214-L505 HydrophobicContact CG-CD2 3.44Å; Y214-L505 VanDerWaalsContact CG-CD2 3.44Å; Y214-L505 HydrophobicContact CG-CG 4.25Å; L378-L505 HydrophobicContact CD1-CD1 3.66Å; L378-L505 HydrophobicContact CD1-CD2 4.23Å; L378-L505 HydrophobicContact CD1-CG 4.25Å; L378-L505 HydrophobicContact CD2-CD1 3.81Å; L378-L505 HydrophobicContact CG-CD1 3.58Å; L380-L505 HydrophobicContact CD2-CD1 3.47Å; L380-L505 VanDerWaalsContact CD2-CD1 3.47Å; P458-L505 HydrophobicContact CB-CD2 4.35Å; I462-L505 HydrophobicContact CD1-CD2 4.11Å; I462-L505 HydrophobicContact CG1-CD2 4.43Å; L481-L505 HydrophobicContact CB-CB 3.98Å; L481-L505 HydrophobicContact CD1-CB 4.33Å; L481-L505 HydrophobicContact CD1-CD2 4.19Å; L481-L505 PolarHBondContact O-N 2.92Å
506V92.3Very high91.3Very high8 Ų839.6 Ų39.65%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-133.8157.7175.5-61.50000111.1N213 Y379 A381 Q504 A511 W692 P693N213-V506 CarbonylContact O-C 3.52Å; N213-V506 WeakPolarHBondContact O-CA 3.35Å; N213-V506 PolarHBondContact O-N 2.89Å; Y379-V506 WeakPolarHBondContact CB-O 3.26Å; Y379-V506 PolarHBondContact O-N 2.81Å; A381-V506 HydrophobicContact CB-CB 4.31Å; A381-V506 HydrophobicContact CB-CG1 3.65Å; A381-V506 HydrophobicContact CB-CG2 3.64Å; Q504-V506 HydrophobicContact CG-CG1 3.95Å; V506-A511 HydrophobicContact CG2-CB 4.1Å; V506-W692 HydrophobicContact CG1-CZ2 4.42Å; V506-W692 HydrophobicContact CG2-CZ2 4.15Å; V506-P693 HydrophobicContact CG1-CB 4.49Å
507S90.5Very high90.6Very high20 Ų2041.6 Ų41.614%0.1422%0.216CC..  trans-74.2152.4170.357.90000111.6N213 D215 K509 S510 A511N213-S507 PolarHBondContact O-N 2.98Å; D215-S507 WeakPolarHBondContact OD1-CB 3.27Å; S507-K509 PolarHBondContact O-N 3.48Å; S507-S510 WeakPolarHBondContact O-CB 3.39Å; S507-S510 PolarHBondContact O-N 3.31Å; S507-S510 VanDerWaalsContact O-N 3.13Å; S507-S510 WeakPolarHBondContact OG-CB 3.16Å; S507-S510 PolarHBondContact OG-N 3.33Å; S507-A511 PolarHBondContact O-N 3.15Å
508S90.4Very high89.6Confident39 Ų3939.5 Ų39.527%0.27321%0.208SC..Hα-helixtrans-56.9-36.9174.757.70000112.3D215 A511 T512D215-S508 PolarHBondContact OD1-N 2.87Å; D215-S508 PolarHBondContact OD1-OG 2.8Å; D215-S508 WeakPolarHBondContact OD2-CB 3.33Å; D215-S508 PolarHBondContact OD2-N 2.96Å; D215-S508 PolarHBondContact OD2-OG 2.83Å; S508-A511 PolarHBondContact O-N 2.54Å; S508-T512 VanDerWaalsContact O-CB 3.28Å; S508-T512 WeakPolarHBondContact O-CB 3.41Å; S508-T512 PolarHBondContact O-N 3.48Å; S508-T512 PolarHBondContact O-OG1 3.41Å
509K88.3Confident88.5Confident173 Ų17345.4 Ų45.475%0.75224%0.235SC*.Hα-helixtrans-62.6-46.6176.3-174.1-179.7177.3-175.30111.2S507 A513S507-K509 PolarHBondContact O-N 3.48Å; K509-A513 WeakPolarHBondContact O-CB 3.39Å; K509-A513 PolarHBondContact O-N 2.85Å
510S89.4Confident87.5Confident42 Ų4247 Ų4729%0.29425%0.245SC..Hα-helixtrans-61.6-50176.6-179.50000111.1S507 T512 A513 A514 W692S507-S510 WeakPolarHBondContact O-CB 3.39Å; S507-S510 PolarHBondContact O-N 3.31Å; S507-S510 VanDerWaalsContact O-N 3.13Å; S507-S510 WeakPolarHBondContact OG-CB 3.16Å; S507-S510 PolarHBondContact OG-N 3.33Å; S510-T512 PolarHBondContact O-N 3.01Å; S510-A513 PolarHBondContact O-N 2.79Å; S510-A514 VanDerWaalsContact O-CB 3.27Å; S510-A514 WeakPolarHBondContact O-CB 2.97Å; S510-A514 PolarHBondContact O-N 2.9Å; S510-W692 PolarHBondContact OG-NE1 3.41Å
511A89.9Confident86.4Confident1 Ų154 Ų541%0.00828%0.278CS..Hα-helixtrans-58-49.7177.900000112.5Y379 A448 V506 S507 S508 L515 W692Y379-A511 HydrophobicContact CD1-CB 3.65Å; Y379-A511 HydrophobicContact CE1-CB 4.16Å; Y379-A511 HydrophobicContact CG-CB 4.14Å; A448-A511 HydrophobicContact CB-CB 4.4Å; V506-A511 HydrophobicContact CG2-CB 4.1Å; S507-A511 PolarHBondContact O-N 3.15Å; S508-A511 PolarHBondContact O-N 2.54Å; A511-L515 VanDerWaalsContact O-CB 3.28Å; A511-L515 WeakPolarHBondContact O-CB 3.1Å; A511-L515 WeakPolarHBondContact O-CD1 2.92Å; A511-L515 WeakPolarHBondContact O-CG 3.47Å; A511-L515 PolarHBondContact O-N 3.26Å; A511-W692 VanDerWaalsContact CA-CZ2 3.48Å; A511-W692 HydrophobicContact CB-CH2 4.25Å; A511-W692 HydrophobicContact CB-CZ2 4.12Å
512T87.1Confident85.8Confident61 Ų6152 Ų5237%0.37427%0.27SS..Hα-helixtrans-65.1-44.1-178.3-58.10000111.9S508 S510 K516S508-T512 VanDerWaalsContact O-CB 3.28Å; S508-T512 WeakPolarHBondContact O-CB 3.41Å; S508-T512 PolarHBondContact O-N 3.48Å; S508-T512 PolarHBondContact O-OG1 3.41Å; S510-T512 PolarHBondContact O-N 3.01Å; T512-K516 HydrophobicContact CG2-CD 4.14Å; T512-K516 WeakPolarHBondContact O-CB 3.4Å; T512-K516 VanDerWaalsContact O-CG 3.29Å; T512-K516 WeakPolarHBondContact O-CG 3.4Å; T512-K516 PolarHBondContact O-N 3.18Å
513A86.9Confident85.6Confident60 Ų6051.7 Ų51.750%0.49627%0.27SS..Hα-helixtrans-65.5-48.2-179.200000111.4K509 S510 K516 L517K509-A513 WeakPolarHBondContact O-CB 3.39Å; K509-A513 PolarHBondContact O-N 2.85Å; S510-A513 PolarHBondContact O-N 2.79Å; A513-K516 PolarHBondContact O-N 3.21Å; A513-L517 WeakPolarHBondContact O-CB 3.41Å; A513-L517 PolarHBondContact O-N 2.99Å
514A84.9Confident85.5Confident9 Ų952.4 Ų52.47%0.07427%0.273CS..Hα-helixtrans-69.5-38.7-176.200000113.1S510 L517 G518 W692S510-A514 VanDerWaalsContact O-CB 3.27Å; S510-A514 WeakPolarHBondContact O-CB 2.97Å; S510-A514 PolarHBondContact O-N 2.9Å; A514-L517 PolarHBondContact O-N 2.83Å; A514-G518 PolarHBondContact O-N 2.83Å; A514-W692 HydrophobicContact CB-CB 3.92Å; A514-W692 VanDerWaalsContact CB-CD1 3.47Å; A514-W692 HydrophobicContact CB-CD2 3.17Å; A514-W692 VanDerWaalsContact CB-CE2 3.42Å; A514-W692 HydrophobicContact CB-CE3 3.71Å; A514-W692 HydrophobicContact CB-CG 3.24Å; A514-W692 HydrophobicContact CB-CZ2 4.15Å; A514-W692 HydrophobicContact CB-CZ3 4.38Å
515L80.4Confident85.6Confident17 Ų1753.4 Ų53.49%0.08928%0.28CS..Hα-helixtrans-68.3-38.9178.9-67.4170.8000111.6I429 A448 A511 E519 W692I429-L515 HydrophobicContact CB-CD1 3.87Å; I429-L515 HydrophobicContact CG2-CD1 3.59Å; A448-L515 HydrophobicContact CB-CD1 3.82Å; A511-L515 VanDerWaalsContact O-CB 3.28Å; A511-L515 WeakPolarHBondContact O-CB 3.1Å; A511-L515 WeakPolarHBondContact O-CD1 2.92Å; A511-L515 WeakPolarHBondContact O-CG 3.47Å; A511-L515 PolarHBondContact O-N 3.26Å; L515-E519 PolarHBondContact O-N 2.89Å; L515-W692 HydrophobicContact CD2-CH2 4.41Å; L515-W692 HydrophobicContact CD2-CZ3 3.76Å; L515-W692 HydrophobicContact CG-CH2 4.22Å; L515-W692 HydrophobicContact CG-CZ3 3.99Å
516K80.2Confident85.9Confident138 Ų13854.2 Ų54.260%0.628%0.283SS*.Hα-helixtrans-65-48172.4-74.6178-179.8178.10112.2T512 A513 G518 E519 M520T512-K516 HydrophobicContact CG2-CD 4.14Å; T512-K516 WeakPolarHBondContact O-CB 3.4Å; T512-K516 VanDerWaalsContact O-CG 3.29Å; T512-K516 WeakPolarHBondContact O-CG 3.4Å; T512-K516 PolarHBondContact O-N 3.18Å; A513-K516 PolarHBondContact O-N 3.21Å; K516-G518 VanDerWaalsContact C-N 3.28Å; K516-G518 PolarHBondContact O-N 3.13Å; K516-E519 PolarHBondContact O-N 3.13Å; K516-E519 VanDerWaalsContact O-N 3.13Å; K516-M520 PolarHBondContact O-N 3.09Å
517L81.1Confident86.1Confident94 Ų9454.8 Ų54.849%0.49228%0.284SS..Hα-helixtrans-58.2-44.9176.8-177.769.6000110.9A513 A514 E519 M520 H521 L690A513-L517 WeakPolarHBondContact O-CB 3.41Å; A513-L517 PolarHBondContact O-N 2.99Å; A514-L517 PolarHBondContact O-N 2.83Å; L517-E519 VanDerWaalsContact C-N 3.26Å; L517-E519 PolarHBondContact O-N 2.83Å; L517-M520 PolarHBondContact O-N 3Å; L517-H521 HydrophobicContact CD1-CB 4.2Å; L517-H521 PolarHBondContact O-N 2.93Å; L517-L690 HydrophobicContact CD2-CD1 4.32Å
518G74.3Confident86.5Confident0 Ų053.8 Ų53.80%028%0.278CS..Hα-helixtrans-68.7-18.6178.500000114.8S431 A514 K516 K522S431-G518 VanDerWaalsContact OG-CA 3.24Å; S431-G518 WeakPolarHBondContact OG-CA 3.36Å; S431-G518 PolarHBondContact OG-O 2.62Å; A514-G518 PolarHBondContact O-N 2.83Å; K516-G518 VanDerWaalsContact C-N 3.28Å; K516-G518 PolarHBondContact O-N 3.13Å; G518-K522 WeakPolarHBondContact O-CD 3.5Å; G518-K522 WeakPolarHBondContact O-CE 3.45Å; G518-K522 VanDerWaalsContact O-CG 3.23Å; G518-K522 WeakPolarHBondContact O-CG 3.46Å; G518-K522 PolarHBondContact O-NZ 3Å
519E74.6Confident86.8Confident126 Ų12652 Ų5259%0.58927%0.265SS*.Hα-helixtrans-76.7-35.7171.8-167.8173.8-177.900111.3L515 K516 L517L515-E519 PolarHBondContact O-N 2.89Å; K516-E519 PolarHBondContact O-N 3.13Å; K516-E519 VanDerWaalsContact O-N 3.13Å; L517-E519 VanDerWaalsContact C-N 3.26Å; L517-E519 PolarHBondContact O-N 2.83Å
520M75.6Confident87.3Confident127 Ų12743.7 Ų43.763%0.62623%0.229SC*.Hα-helixtrans-99.2-44.1-167.3-61.1-62.4167.500114.7K516 L517K516-M520 PolarHBondContact O-N 3.09Å; L517-M520 PolarHBondContact O-N 3Å
521H76Confident87.7Confident149 Ų14944.1 Ų44.169%0.6922%0.224SC*.THydrogen-bonded Turntrans-114.9-5.5-160.9-69.2-72.9000115.9L517L517-H521 HydrophobicContact CD1-CB 4.2Å; L517-H521 PolarHBondContact O-N 2.93Å
522K81.2Confident88.1Confident9 Ų944 Ų444%0.03922%0.224CC..  trans-79.8148-175.970.1-176.2-177.1-159.30113.3S431 G518 K524 A651 V688 E689 L690S431-K522 PolarHBondContact O-NZ 3.19Å; S431-K522 PolarHBondContact OG-NZ 3.46Å; G518-K522 WeakPolarHBondContact O-CD 3.5Å; G518-K522 WeakPolarHBondContact O-CE 3.45Å; G518-K522 VanDerWaalsContact O-CG 3.23Å; G518-K522 WeakPolarHBondContact O-CG 3.46Å; G518-K522 PolarHBondContact O-NZ 3Å; K522-K524 VanDerWaalsContact CE-CE 3.43Å; K522-A651 HydrophobicContact CG-CB 4.11Å; K522-A651 VanDerWaalsContact O-CB 3.29Å; K522-A651 WeakPolarHBondContact O-CB 3.29Å; K522-A651 PolarHBondContact O-N 3.48Å; K522-V688 HydrophobicContact CD-CG1 3.49Å; K522-V688 VanDerWaalsContact CD-CG1 3.49Å; K522-E689 VanDerWaalsContact CB-O 3.32Å; K522-E689 WeakPolarHBondContact CB-O 3.48Å; K522-L690 HydrophobicContact CB-CB 4.47Å; K522-L690 HydrophobicContact CD-CB 4.2Å
523A92.1Very high88.5Confident7 Ų742.3 Ų42.36%0.05821%0.213CC..EExtended strand (participates in β ladder)trans-80.9153.2161.800000110.6Y609 R648 C649 E689A523-Y609 HydrophobicContact CB-CD2 4.14Å; A523-Y609 HydrophobicContact CB-CE2 3.86Å; A523-R648 HydrophobicContact CB-CG 4.47Å; A523-C649 CarbonylContact C-O 3.5Å; A523-C649 WeakPolarHBondContact CA-O 3.47Å; A523-E689 HydrophobicContact CB-CB 4.18Å; A523-E689 HydrophobicContact CB-CG 4.29Å; A523-E689 WeakPolarHBondContact CB-OE2 3.35Å; A523-E689 WeakPolarHBondContact O-CB 3.12Å; A523-E689 PolarHBondContact O-N 3.27Å
524K93.8Very high88.6Confident16 Ų1643.1 Ų43.17%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-127.1138.7174.1-67.7-179-175176.80109.3K522 Y526 R648 C649K522-K524 VanDerWaalsContact CE-CE 3.43Å; K524-Y526 HydrophobicContact CB-CD2 4.21Å; K524-Y526 HydrophobicContact CB-CE2 3.43Å; K524-Y526 VanDerWaalsContact CB-CE2 3.43Å; K524-Y526 HydrophobicContact CD-CE2 4.25Å; K524-Y526 WeakPolarHBondContact CD-OH 3.31Å; K524-R648 WeakPolarHBondContact O-CA 3.27Å; K524-C649 PolarHBondContact N-O 3.18Å; K524-C649 PolarHBondContact O-N 2.84Å
525C96.8Very high88.9Confident24 Ų2444.7 Ų44.716%0.16222%0.224CC..EExtended strand (participates in β ladder)trans-107.5129.2175.6-60.40000108.8I647 V685 I686 G687 E689C525-I647 CarbonylContact C-O 3.54Å; C525-I647 VanDerWaalsContact CA-O 3.23Å; C525-I647 WeakPolarHBondContact CA-O 3.34Å; C525-V685 CarbonylContact O-C 3.55Å; C525-I686 HydrophobicContact CB-CD1 4.17Å; C525-I686 HydrophobicContact CB-CG1 3.68Å; C525-I686 WeakPolarHBondContact O-CG1 3.41Å; C525-I686 PolarHBondContact O-N 3.07Å; C525-G687 PolarHBondContact N-O 2.82Å; C525-G687 PolarHBondContact O-N 2.96Å; C525-G687 VanDerWaalsContact O-N 3.16Å; C525-E689 PolarHBondContact SG-OE1 3.25Å
526Y97.7Very high89.5Confident19 Ų1944 Ų448%0.07522%0.22CC..EExtended strand (participates in β ladder)trans-121.6155.5179-61.8-94.7000110.2K524 E646 I647 V655 L683 D684 V685K524-Y526 HydrophobicContact CB-CD2 4.21Å; K524-Y526 HydrophobicContact CB-CE2 3.43Å; K524-Y526 VanDerWaalsContact CB-CE2 3.43Å; K524-Y526 HydrophobicContact CD-CE2 4.25Å; K524-Y526 WeakPolarHBondContact CD-OH 3.31Å; Y526-E646 CarbonylContact O-C 3.44Å; Y526-E646 VanDerWaalsContact O-CA 3.24Å; Y526-E646 WeakPolarHBondContact O-CA 3.31Å; Y526-I647 PolarHBondContact N-O 3.18Å; Y526-I647 PolarHBondContact O-N 2.88Å; Y526-V655 HydrophobicContact CD1-CG2 4.14Å; Y526-V655 HydrophobicContact CD2-CG2 3.67Å; Y526-V655 HydrophobicContact CE1-CG2 4.03Å; Y526-V655 HydrophobicContact CE2-CG2 3.57Å; Y526-V655 HydrophobicContact CG-CG1 4.47Å; Y526-V655 HydrophobicContact CG-CG2 3.95Å; Y526-L683 HydrophobicContact CD1-CD1 3.96Å; Y526-L683 HydrophobicContact CD1-CD2 4.25Å; Y526-L683 HydrophobicContact CD1-CG 4.21Å; Y526-L683 HydrophobicContact CG-CD1 4.36Å; Y526-D684 CarbonylContact C-O 3.55Å; Y526-D684 WeakPolarHBondContact CA-O 3.18Å; Y526-V685 HydrophobicContact CD1-CG2 3.93Å; Y526-V685 HydrophobicContact CE1-CG2 3.62Å
527R97.5Very high90.2Very high19 Ų1937.7 Ų37.77%0.07219%0.193CC..EExtended strand (participates in β ladder)trans-133130.2168.1-172.5-175.5-64.1145.3-1108.7E626 F630 I644 L645 E646 D684 I686R527-E626 IonicContact CZ-OE2 3.97Å; R527-E626 IonicContact NH1-OE2 3.51Å; R527-E626 PolarHBondContact NH1-OE2 3.35Å; R527-E626 IonicContact NH2-OE2 2.72Å; R527-F630 HydrophobicContact CG-CE2 3.94Å; R527-F630 HydrophobicContact CG-CZ 4.27Å; R527-I644 HydrophobicContact CG-CG2 3.9Å; R527-L645 CarbonylContact C-O 3.49Å; R527-L645 WeakPolarHBondContact CA-O 3.08Å; R527-E646 HydrophobicContact CB-CG 4.16Å; R527-E646 HydrophobicContact CG-CG 3.87Å; R527-E646 IonicContact CZ-OE1 2.75Å; R527-E646 VanDerWaalsContact CZ-OE1 3.26Å; R527-E646 IonicContact NE-OE1 3.21Å; R527-E646 PolarHBondContact NE-OE1 3.43Å; R527-E646 IonicContact NH2-OE1 3.4Å; R527-E646 PolarHBondContact NH2-OE1 3.35Å; R527-D684 PolarHBondContact N-O 3.45Å; R527-D684 PolarHBondContact O-N 2.81Å; R527-I686 HydrophobicContact CB-CD1 4.26Å; R527-I686 HydrophobicContact CB-CG2 3.68Å
528A98Very high90.9Very high0 Ų035.9 Ų35.90%018%0.184CC..EExtended strand (participates in β ladder)trans-128.1145.2-176.500000111.7I644 L645 I680 A682 L683A528-I644 WeakPolarHBondContact O-CA 3.13Å; A528-L645 PolarHBondContact N-O 3.43Å; A528-L645 PolarHBondContact O-N 2.84Å; A528-I680 HydrophobicContact CB-CD1 4.14Å; A528-I680 HydrophobicContact CB-CG1 4.39Å; A528-I680 HydrophobicContact CB-CG2 4.01Å; A528-A682 CarbonylContact C-O 3.53Å; A528-A682 WeakPolarHBondContact CA-O 3.46Å; A528-L683 HydrophobicContact CB-CD1 3.92Å
529V97.8Very high91.8Very high0 Ų037.9 Ų37.90%020%0.196CC..EExtended strand (participates in β ladder)trans-87.7118.2157.4-179.10000106.7Y616 F630 W633 L642 L681 A682V529-Y616 HydrophobicContact CG1-CD2 4.33Å; V529-Y616 HydrophobicContact CG1-CE2 4.23Å; V529-F630 HydrophobicContact CG2-CB 3.76Å; V529-F630 HydrophobicContact CG2-CD1 3.53Å; V529-F630 HydrophobicContact CG2-CD2 3.34Å; V529-F630 HydrophobicContact CG2-CE1 3.85Å; V529-F630 HydrophobicContact CG2-CE2 3.66Å; V529-F630 HydrophobicContact CG2-CG 3.26Å; V529-F630 HydrophobicContact CG2-CZ 3.91Å; V529-W633 HydrophobicContact CG1-CB 4.4Å; V529-W633 HydrophobicContact CG1-CG 4.37Å; V529-L642 HydrophobicContact CG1-CD2 4.3Å; V529-L681 HydrophobicContact CB-CB 4.48Å; V529-L681 HydrophobicContact CG1-CB 4.36Å; V529-L681 HydrophobicContact CG1-CD1 4.29Å; V529-L681 PolarHBondContact O-N 3.33Å; V529-A682 HydrophobicContact CB-CB 4.23Å; V529-A682 HydrophobicContact CG2-CB 4.23Å; V529-A682 PolarHBondContact N-O 2.83Å
530C98.4Very high92.7Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-109.9144.8-179.1-660000110.2L642 F643 D679C530-L642 WeakPolarHBondContact O-CA 3.2Å; C530-F643 HydrophobicContact CB-CD1 3.84Å; C530-F643 HydrophobicContact CB-CD2 4.02Å; C530-F643 HydrophobicContact CB-CE1 3.33Å; C530-F643 HydrophobicContact CB-CE2 3.54Å; C530-F643 HydrophobicContact CB-CG 4.16Å; C530-F643 HydrophobicContact CB-CZ 3.16Å; C530-F643 PolarHBondContact N-O 3.39Å; C530-F643 PolarHBondContact O-N 3.44Å; C530-D679 VanDerWaalsContact CA-O 3.27Å; C530-D679 WeakPolarHBondContact CA-O 3.41Å
531W98.2Very high93.6Very high50 Ų5031.6 Ų31.619%0.18917%0.166CC..EExtended strand (participates in β ladder)trans-116.8131.6178.9174.254.6000110.3P533 Y637 E641 L642 L678 D679 L681W531-P533 HydrophobicContact CD2-CG 4.24Å; W531-P533 HydrophobicContact CE3-CG 4.39Å; W531-P533 HydrophobicContact CH2-CB 4.09Å; W531-P533 HydrophobicContact CH2-CG 3.82Å; W531-P533 HydrophobicContact CZ2-CB 3.45Å; W531-P533 VanDerWaalsContact CZ2-CB 3.45Å; W531-P533 HydrophobicContact CZ2-CG 3.63Å; W531-P533 HydrophobicContact CZ3-CG 4.19Å; W531-Y637 AromaticContact CD1-CD1 3.6Å; W531-Y637 AromaticContact CD2-CD1 3.85Å; W531-Y637 HydrophobicContact CD2-CD1 3.85Å; W531-Y637 AromaticContact CD2-CE1 3.7Å; W531-Y637 HydrophobicContact CD2-CE1 3.7Å; W531-Y637 AromaticContact CE2-CD1 3.53Å; W531-Y637 AromaticContact CE2-CE1 3.62Å; W531-Y637 HydrophobicContact CE3-CE1 4.09Å; W531-Y637 AromaticContact CG-CD1 3.87Å; W531-Y637 HydrophobicContact CG-CD1 3.87Å; W531-Y637 HydrophobicContact CG-CE1 4.09Å; W531-Y637 HydrophobicContact CH2-CE1 4.28Å; W531-Y637 HydrophobicContact CZ2-CD1 4.08Å; W531-Y637 AromaticContact CZ2-CE1 3.9Å; W531-Y637 HydrophobicContact CZ2-CE1 3.9Å; W531-Y637 HydrophobicContact CZ3-CE1 4.37Å; W531-Y637 AromaticContact NE1-CD1 3.42Å; W531-E641 WeakPolarHBondContact CA-O 3.39Å; W531-E641 PolarHBondContact NE1-OE2 3.08Å; W531-L642 HydrophobicContact CB-CD2 4.11Å; W531-L642 HydrophobicContact CG-CD2 4.48Å; W531-L678 WeakPolarHBondContact O-CA 3.38Å; W531-D679 HydrophobicContact CE3-CB 4.35Å; W531-D679 PolarHBondContact N-O 3.44Å; W531-D679 PolarHBondContact O-N 3.34Å; W531-L681 HydrophobicContact CB-CD1 3.88Å; W531-L681 HydrophobicContact CB-CD2 4.11Å; W531-L681 HydrophobicContact CB-CG 3.87Å
532C97.8Very high94.4Very high0 Ų024.5 Ų24.50%013%0.133CC..  trans-131.494.6175.7-179.40000108.5Q534 G536 E641 F643 L678C532-Q534 PolarHBondContact O-N 3.35Å; C532-G536 WeakPolarHBondContact O-CA 3.39Å; C532-G536 PolarHBondContact O-N 2.91Å; C532-G536 PolarHBondContact SG-O 2.86Å; C532-E641 PolarHBondContact N-O 3.22Å; C532-E641 WeakPolarHBondContact O-CB 3.38Å; C532-F643 HydrophobicContact CB-CE1 4.22Å; C532-L678 HydrophobicContact CB-CG 4.49Å
533P95Very high94.9Very high25 Ų2526.4 Ų26.416%0.16214%0.142CC..THydrogen-bonded Turntrans-63.8-11.1-170.510-18.8000116W531 G535 Q677W531-P533 HydrophobicContact CD2-CG 4.24Å; W531-P533 HydrophobicContact CE3-CG 4.39Å; W531-P533 HydrophobicContact CH2-CB 4.09Å; W531-P533 HydrophobicContact CH2-CG 3.82Å; W531-P533 HydrophobicContact CZ2-CB 3.45Å; W531-P533 VanDerWaalsContact CZ2-CB 3.45Å; W531-P533 HydrophobicContact CZ2-CG 3.63Å; W531-P533 HydrophobicContact CZ3-CG 4.19Å; P533-G535 VanDerWaalsContact C-N 3.31Å; P533-G535 PolarHBondContact O-N 3.04Å; P533-Q677 HydrophobicContact CG-CB 4.32Å; P533-Q677 HydrophobicContact CG-CG 4.36Å
534Q90.3Very high94.8Very high77 Ų7729.6 Ų29.636%0.3616%0.155SC..THydrogen-bonded Turntrans-96.252.8-177.9-66.383.841.800111.8C532C532-Q534 PolarHBondContact O-N 3.35Å
535G90.5Very high94.7Very high42 Ų4228.9 Ų28.943%0.43315%0.152SC..THydrogen-bonded Turntrans74.225-179.900000114.2P533P533-G535 VanDerWaalsContact C-N 3.31Å; P533-G535 PolarHBondContact O-N 3.04Å
536G93.9Very high94.2Very high1 Ų128.2 Ų28.21%0.0115%0.147CC..  trans76.7-156.4174.600000115.3C532 D640C532-G536 WeakPolarHBondContact O-CA 3.39Å; C532-G536 PolarHBondContact O-N 2.91Å; C532-G536 PolarHBondContact SG-O 2.86Å; G536-D640 WeakPolarHBondContact CA-O 3.42Å
537I94.1Very high93.6Very high6 Ų633.8 Ų33.83%0.03117%0.173CC..  trans-90.2150.5169.6-67.9-170.6000108.9L542 W567 F613 F643 F674I537-L542 HydrophobicContact CG2-CD1 4.22Å; I537-L542 HydrophobicContact CG2-CD2 3.66Å; I537-L542 HydrophobicContact CG2-CG 3.69Å; I537-W567 HydrophobicContact CB-CZ2 4.15Å; I537-W567 HydrophobicContact CG2-CD2 4.09Å; I537-W567 HydrophobicContact CG2-CE3 4.36Å; I537-W567 HydrophobicContact CG2-CG 4.45Å; I537-W567 HydrophobicContact CG2-CZ2 4.45Å; I537-W567 PolarHBondContact O-NE1 2.71Å; I537-F613 HydrophobicContact CD1-CD1 3.53Å; I537-F613 HydrophobicContact CD1-CE1 3.53Å; I537-F643 HydrophobicContact CD1-CD1 3.71Å; I537-F643 HydrophobicContact CD1-CD2 3.59Å; I537-F643 HydrophobicContact CD1-CE1 3.59Å; I537-F643 HydrophobicContact CD1-CE2 3.46Å; I537-F643 VanDerWaalsContact CD1-CE2 3.46Å; I537-F643 HydrophobicContact CD1-CG 3.71Å; I537-F643 HydrophobicContact CD1-CZ 3.45Å; I537-F643 VanDerWaalsContact CD1-CZ 3.45Å; I537-F643 HydrophobicContact CG1-CD1 3.8Å; I537-F643 HydrophobicContact CG1-CE1 3.85Å; I537-F643 HydrophobicContact CG1-CG 4.14Å; I537-F643 HydrophobicContact CG1-CZ 4.23Å; I537-F674 HydrophobicContact CD1-CE2 3.91Å; I537-F674 HydrophobicContact CD1-CZ 4.29Å
538N94.7Very high92.9Very high57 Ų5736.4 Ų36.431%0.30518%0.184SC..  trans-141.1173.8172.36435.3000110.4E540 L541 L542N538-E540 VanDerWaalsContact C-N 3.28Å; N538-E540 PolarHBondContact O-N 3.34Å; N538-E540 WeakPolarHBondContact OD1-CB 3.19Å; N538-E540 PolarHBondContact OD1-N 2.93Å; N538-E540 VanDerWaalsContact OD1-N 3.13Å; N538-L541 PolarHBondContact O-N 3.27Å; N538-L541 WeakPolarHBondContact OD1-CG 3.45Å; N538-L541 PolarHBondContact OD1-N 2.99Å; N538-L542 PolarHBondContact O-N 3.1Å; N538-L542 VanDerWaalsContact O-N 3.16Å
539T93.9Very high92.2Very high41 Ų4136.6 Ų36.625%0.25219%0.185SC..Hα-helixtrans-56.8-39.2-178.9-53.20000112.5L541 L542 M543 I565 W567T539-L541 PolarHBondContact O-N 2.96Å; T539-L542 PolarHBondContact O-N 3.22Å; T539-M543 HydrophobicContact CG2-CE 4.2Å; T539-M543 HydrophobicContact CG2-CG 4.44Å; T539-M543 VanDerWaalsContact O-CG 3.25Å; T539-M543 WeakPolarHBondContact O-CG 3.44Å; T539-M543 PolarHBondContact O-N 3.38Å; T539-I565 VanDerWaalsContact CG2-O 3.28Å; T539-I565 WeakPolarHBondContact CG2-O 3.28Å; T539-W567 PolarHBondContact OG1-N 3.48Å
540E93.4Very high91.3Very high119 Ų11938.3 Ų38.356%0.55620%0.195SC*.Hα-helixtrans-61.5-43.9178.8-169.5-156.2138.900111.8N538 L542 M543 K544N538-E540 VanDerWaalsContact C-N 3.28Å; N538-E540 PolarHBondContact O-N 3.34Å; N538-E540 WeakPolarHBondContact OD1-CB 3.19Å; N538-E540 PolarHBondContact OD1-N 2.93Å; N538-E540 VanDerWaalsContact OD1-N 3.13Å; E540-L542 VanDerWaalsContact C-N 3.35Å; E540-L542 PolarHBondContact O-N 2.87Å; E540-M543 WeakPolarHBondContact O-CB 3.43Å; E540-M543 PolarHBondContact O-N 3.33Å; E540-K544 PolarHBondContact O-N 3.25Å; E540-K544 VanDerWaalsContact O-N 3.08Å; E540-K544 VanDerWaalsContact OE1-CE 3.29Å; E540-K544 WeakPolarHBondContact OE1-CE 3.39Å; E540-K544 IonicContact OE1-NZ 2.96Å; E540-K544 PolarHBondContact OE1-NZ 2.91Å
541L94.6Very high90.2Very high3 Ų345.1 Ų45.12%0.01623%0.231CC..Hα-helixtrans-64.2-40.8177.4-66.2-179.7000111.5N538 T539 M543 K544 M545 F674 R676N538-L541 PolarHBondContact O-N 3.27Å; N538-L541 WeakPolarHBondContact OD1-CG 3.45Å; N538-L541 PolarHBondContact OD1-N 2.99Å; T539-L541 PolarHBondContact O-N 2.96Å; L541-M543 VanDerWaalsContact C-N 3.32Å; L541-M543 PolarHBondContact O-N 3.38Å; L541-K544 HydrophobicContact CD2-CD 4.31Å; L541-K544 WeakPolarHBondContact O-CB 3.13Å; L541-K544 PolarHBondContact O-N 3.26Å; L541-M545 PolarHBondContact O-N 2.73Å; L541-M545 VanDerWaalsContact O-N 3.12Å; L541-F674 HydrophobicContact CB-CD1 3.88Å; L541-F674 HydrophobicContact CB-CE1 4.18Å; L541-F674 HydrophobicContact CB-CG 4.36Å; L541-F674 HydrophobicContact CD2-CB 4.05Å; L541-F674 HydrophobicContact CD2-CD1 4.46Å; L541-F674 WeakPolarHBondContact CD2-O 3.42Å; L541-F674 WeakPolarHBondContact O-CD1 3.23Å; L541-F674 WeakPolarHBondContact O-CE1 3.3Å; L541-R676 HydrophobicContact CD1-CG 4.13Å; L541-R676 HydrophobicContact CD2-CG 4.29Å
542L93.5Very high88.9Confident0 Ų046.6 Ų46.60%024%0.242CC..Hα-helixtrans-66.5-32.9175.6-64.2-176.9000112.8I537 N538 T539 E540 K544 M545 L546 I565 W567 I580 F582 F613I537-L542 HydrophobicContact CG2-CD1 4.22Å; I537-L542 HydrophobicContact CG2-CD2 3.66Å; I537-L542 HydrophobicContact CG2-CG 3.69Å; N538-L542 PolarHBondContact O-N 3.1Å; N538-L542 VanDerWaalsContact O-N 3.16Å; T539-L542 PolarHBondContact O-N 3.22Å; E540-L542 VanDerWaalsContact C-N 3.35Å; E540-L542 PolarHBondContact O-N 2.87Å; L542-K544 VanDerWaalsContact C-N 3.35Å; L542-M545 WeakPolarHBondContact O-CB 3.41Å; L542-M545 PolarHBondContact O-N 3.25Å; L542-L546 PolarHBondContact O-N 3.22Å; L542-I565 HydrophobicContact CB-CG2 3.7Å; L542-I565 HydrophobicContact CD1-CG2 4.15Å; L542-W567 HydrophobicContact CD1-CB 4.06Å; L542-W567 HydrophobicContact CD1-CD2 4.24Å; L542-W567 HydrophobicContact CD1-CE3 3.64Å; L542-W567 HydrophobicContact CD1-CG 4.46Å; L542-W567 HydrophobicContact CD1-CZ3 4.41Å; L542-I580 HydrophobicContact CD1-CD1 3.54Å; L542-F582 HydrophobicContact CB-CZ 4.16Å; L542-F582 HydrophobicContact CD2-CE2 3.99Å; L542-F582 HydrophobicContact CD2-CZ 4.26Å; L542-F613 HydrophobicContact CD2-CB 4.49Å; L542-F613 HydrophobicContact CD2-CD1 4.18Å; L542-F613 HydrophobicContact CD2-CD2 4.43Å; L542-F613 HydrophobicContact CD2-CG 4.12Å
543M90.9Very high87.6Confident48 Ų4849 Ų4924%0.23626%0.255CS..Hα-helixtrans-65-37.8171.7-68.7-71.3-170.300111.8T539 E540 L541 M545 L546 Q547 V562 I565T539-M543 HydrophobicContact CG2-CE 4.2Å; T539-M543 HydrophobicContact CG2-CG 4.44Å; T539-M543 VanDerWaalsContact O-CG 3.25Å; T539-M543 WeakPolarHBondContact O-CG 3.44Å; T539-M543 PolarHBondContact O-N 3.38Å; E540-M543 WeakPolarHBondContact O-CB 3.43Å; E540-M543 PolarHBondContact O-N 3.33Å; L541-M543 VanDerWaalsContact C-N 3.32Å; L541-M543 PolarHBondContact O-N 3.38Å; M543-M545 VanDerWaalsContact C-N 3.3Å; M543-M545 PolarHBondContact O-N 3.38Å; M543-L546 PolarHBondContact O-N 3.17Å; M543-Q547 VanDerWaalsContact O-CG 3.31Å; M543-Q547 WeakPolarHBondContact O-CG 3.39Å; M543-Q547 PolarHBondContact O-N 3.43Å; M543-V562 HydrophobicContact CE-CG1 4.41Å; M543-V562 WeakPolarHBondContact CE-O 3.35Å; M543-V562 HydrophobicContact SD-CG1 4.07Å; M543-I565 HydrophobicContact CE-CB 4.13Å; M543-I565 HydrophobicContact SD-CB 4.4Å
544K90.7Very high86.2Confident75 Ų7556.4 Ų56.433%0.32629%0.288SS..Hα-helixtrans-60.7-40.5171.9-67176.2-173.7168.10111.5E540 L541 L542 Q547 Y548E540-K544 PolarHBondContact O-N 3.25Å; E540-K544 VanDerWaalsContact O-N 3.08Å; E540-K544 VanDerWaalsContact OE1-CE 3.29Å; E540-K544 WeakPolarHBondContact OE1-CE 3.39Å; E540-K544 IonicContact OE1-NZ 2.96Å; E540-K544 PolarHBondContact OE1-NZ 2.91Å; L541-K544 HydrophobicContact CD2-CD 4.31Å; L541-K544 WeakPolarHBondContact O-CB 3.13Å; L541-K544 PolarHBondContact O-N 3.26Å; L542-K544 VanDerWaalsContact C-N 3.35Å; K544-Q547 PolarHBondContact O-N 2.71Å; K544-Y548 WeakPolarHBondContact O-CB 3.5Å; K544-Y548 PolarHBondContact O-N 2.82Å
545M90.8Very high84.5Confident0 Ų055.2 Ų55.20%029%0.285CS..Hα-helixtrans-61.5-46.7173.9-170.368.3-173.100111.7L541 L542 M543 Q547 Y548 T549 F582 L585 L611 L670 I673 F674L541-M545 PolarHBondContact O-N 2.73Å; L541-M545 VanDerWaalsContact O-N 3.12Å; L542-M545 WeakPolarHBondContact O-CB 3.41Å; L542-M545 PolarHBondContact O-N 3.25Å; M543-M545 VanDerWaalsContact C-N 3.3Å; M543-M545 PolarHBondContact O-N 3.38Å; M545-Q547 VanDerWaalsContact C-N 3.34Å; M545-Q547 PolarHBondContact O-N 3.42Å; M545-Y548 WeakPolarHBondContact O-CB 3.41Å; M545-Y548 PolarHBondContact O-N 3.1Å; M545-T549 HydrophobicContact CE-CG2 3.93Å; M545-T549 PolarHBondContact O-N 2.78Å; M545-T549 PolarHBondContact O-OG1 2.9Å; M545-F582 HydrophobicContact CB-CD1 4.08Å; M545-F582 HydrophobicContact CB-CE1 3.85Å; M545-F582 HydrophobicContact CB-CE2 4.32Å; M545-F582 HydrophobicContact CB-CG 4.42Å; M545-F582 HydrophobicContact CB-CZ 3.97Å; M545-F582 HydrophobicContact CE-CB 3.92Å; M545-F582 HydrophobicContact CE-CG 4.37Å; M545-F582 HydrophobicContact CG-CB 4.06Å; M545-F582 HydrophobicContact CG-CD1 3.52Å; M545-F582 HydrophobicContact CG-CD2 3.79Å; M545-F582 HydrophobicContact CG-CE1 3.81Å; M545-F582 HydrophobicContact CG-CE2 4.05Å; M545-F582 HydrophobicContact CG-CG 3.5Å; M545-F582 HydrophobicContact CG-CZ 4.06Å; M545-L585 HydrophobicContact CE-CD2 4.19Å; M545-L611 HydrophobicContact CE-CD1 3.25Å; M545-L670 HydrophobicContact CE-CD2 4.25Å; M545-L670 HydrophobicContact SD-CD2 4.19Å; M545-I673 HydrophobicContact SD-CD1 3.92Å; M545-I673 HydrophobicContact SD-CG2 4.01Å; M545-F674 HydrophobicContact CB-CE1 3.98Å
546L88Confident82.7Confident11 Ų1159.7 Ų59.76%0.05830%0.3CS..Hα-helixtrans-59.4-46178.4-175.162.1000111.5L542 M543 Y548 T549 T550 N558 V562 I565 F582L542-L546 PolarHBondContact O-N 3.22Å; M543-L546 PolarHBondContact O-N 3.17Å; L546-Y548 VanDerWaalsContact C-N 3.3Å; L546-Y548 PolarHBondContact O-N 3.44Å; L546-T549 PolarHBondContact O-N 3.35Å; L546-T549 PolarHBondContact O-OG1 2.8Å; L546-T549 VanDerWaalsContact O-OG1 3.13Å; L546-T550 VanDerWaalsContact O-CB 3.26Å; L546-T550 WeakPolarHBondContact O-CB 3.35Å; L546-T550 PolarHBondContact O-N 3.19Å; L546-T550 PolarHBondContact O-OG1 2.79Å; L546-N558 HydrophobicContact CD1-CB 4.43Å; L546-V562 HydrophobicContact CD2-CB 4.06Å; L546-V562 HydrophobicContact CD2-CG2 3.54Å; L546-I565 HydrophobicContact CB-CD1 3.93Å; L546-I565 HydrophobicContact CD1-CD1 4.28Å; L546-I565 HydrophobicContact CD2-CD1 3.65Å; L546-I565 HydrophobicContact CG-CD1 4.15Å; L546-F582 HydrophobicContact CB-CE1 3.92Å; L546-F582 HydrophobicContact CD1-CE1 4.38Å
547Q84.8Confident80.7Confident136 Ų13667.6 Ų67.664%0.63634%0.336SS*.Hα-helixtrans-57.9-45.8176.3-73.5173.33.700110.8M543 K544 M545 T550 L551M543-Q547 VanDerWaalsContact O-CG 3.31Å; M543-Q547 WeakPolarHBondContact O-CG 3.39Å; M543-Q547 PolarHBondContact O-N 3.43Å; K544-Q547 PolarHBondContact O-N 2.71Å; M545-Q547 VanDerWaalsContact C-N 3.34Å; M545-Q547 PolarHBondContact O-N 3.42Å; Q547-T550 PolarHBondContact O-N 3.35Å; Q547-L551 VanDerWaalsContact O-CB 3.26Å; Q547-L551 WeakPolarHBondContact O-CB 3.49Å; Q547-L551 PolarHBondContact O-N 3.3Å
548Y83Confident78.6Confident74 Ų7468.9 Ų68.929%0.2934%0.343SS..Hα-helixtrans-62.9-46.9-179.8-160-83.9000112.1K544 M545 L546 L552 L585 P668 I673K544-Y548 WeakPolarHBondContact O-CB 3.5Å; K544-Y548 PolarHBondContact O-N 2.82Å; M545-Y548 WeakPolarHBondContact O-CB 3.41Å; M545-Y548 PolarHBondContact O-N 3.1Å; L546-Y548 VanDerWaalsContact C-N 3.3Å; L546-Y548 PolarHBondContact O-N 3.44Å; Y548-L552 HydrophobicContact CD1-CD1 3.7Å; Y548-L552 HydrophobicContact CD1-CG 4.39Å; Y548-L552 HydrophobicContact CE1-CD1 3.36Å; Y548-L552 HydrophobicContact CE1-CG 4.16Å; Y548-L552 WeakPolarHBondContact O-CG 3.48Å; Y548-L552 PolarHBondContact O-N 3.18Å; Y548-L585 HydrophobicContact CD1-CD1 3.96Å; Y548-L585 HydrophobicContact CE1-CD1 3.71Å; Y548-P668 HydrophobicContact CE1-CB 4.07Å; Y548-P668 HydrophobicContact CE1-CG 3.63Å; Y548-P668 WeakPolarHBondContact OH-CB 3.36Å; Y548-P668 WeakPolarHBondContact OH-CG 3.45Å; Y548-I673 HydrophobicContact CD1-CD1 4.05Å; Y548-I673 HydrophobicContact CD1-CG1 4.36Å; Y548-I673 HydrophobicContact CD2-CG1 4.14Å; Y548-I673 HydrophobicContact CE1-CD1 4.3Å; Y548-I673 HydrophobicContact CE2-CG1 4.3Å; Y548-I673 HydrophobicContact CG-CD1 4.27Å; Y548-I673 HydrophobicContact CG-CG1 4.19Å; Y548-I673 HydrophobicContact CG-CG2 4.48Å
549T82.2Confident76.5Confident3 Ų371.1 Ų71.12%0.01835%0.354CS..Hα-helixtrans-70-35.1179.252.20000113M545 L546 L552 N553 F582M545-T549 HydrophobicContact CE-CG2 3.93Å; M545-T549 PolarHBondContact O-N 2.78Å; M545-T549 PolarHBondContact O-OG1 2.9Å; L546-T549 PolarHBondContact O-N 3.35Å; L546-T549 PolarHBondContact O-OG1 2.8Å; L546-T549 VanDerWaalsContact O-OG1 3.13Å; T549-L552 PolarHBondContact O-N 3.05Å; T549-N553 WeakPolarHBondContact O-CB 3.37Å; T549-N553 PolarHBondContact O-N 3.04Å; T549-N553 PolarHBondContact O-ND2 3.38Å; T549-F582 HydrophobicContact CG2-CB 4.24Å
550T79.5Confident74.4Confident37 Ų3775.7 Ų75.723%0.22738%0.377CS..Hα-helixtrans-71.2-41.7178.9-53.50000111.2L546 Q547 L552 N553 Q554 N558L546-T550 VanDerWaalsContact O-CB 3.26Å; L546-T550 WeakPolarHBondContact O-CB 3.35Å; L546-T550 PolarHBondContact O-N 3.19Å; L546-T550 PolarHBondContact O-OG1 2.79Å; Q547-T550 PolarHBondContact O-N 3.35Å; T550-L552 VanDerWaalsContact C-N 3.29Å; T550-L552 PolarHBondContact O-N 3.44Å; T550-N553 PolarHBondContact O-N 3.37Å; T550-Q554 PolarHBondContact O-N 3.23Å; T550-N558 HydrophobicContact CG2-CB 4.17Å; T550-N558 PolarHBondContact OG1-ND2 2.76Å
551L75.4Confident72.5Confident142 Ų14275 Ų7574%0.74337%0.374SS*.Hα-helixtrans-59.2-41.1174.5-177.767.5000111.8Q547Q547-L551 VanDerWaalsContact O-CB 3.26Å; Q547-L551 WeakPolarHBondContact O-CB 3.49Å; Q547-L551 PolarHBondContact O-N 3.3Å
552L70Confident70.7Confident82 Ų8277.8 Ų77.843%0.42939%0.39SS..Hα-helixtrans-72.2-41.2179.8-76.8177.8000113.4Y548 T549 T550 L585Y548-L552 HydrophobicContact CD1-CD1 3.7Å; Y548-L552 HydrophobicContact CD1-CG 4.39Å; Y548-L552 HydrophobicContact CE1-CD1 3.36Å; Y548-L552 HydrophobicContact CE1-CG 4.16Å; Y548-L552 WeakPolarHBondContact O-CG 3.48Å; Y548-L552 PolarHBondContact O-N 3.18Å; T549-L552 PolarHBondContact O-N 3.05Å; T550-L552 VanDerWaalsContact C-N 3.29Å; T550-L552 PolarHBondContact O-N 3.44Å; L552-L585 HydrophobicContact CD1-CD1 3.41Å; L552-L585 VanDerWaalsContact CD1-CD1 3.41Å
553N70.2Confident69Low49 Ų4985 Ų8526%0.26243%0.429SS..Hα-helixtrans-84.3-7.8-172.4-68.7-28.1000114T549 T550 T555 P584T549-N553 WeakPolarHBondContact O-CB 3.37Å; T549-N553 PolarHBondContact O-N 3.04Å; T549-N553 PolarHBondContact O-ND2 3.38Å; T550-N553 PolarHBondContact O-N 3.37Å; N553-T555 HydrophobicContact CB-CG2 4.49Å; N553-T555 WeakPolarHBondContact O-CG2 3.41Å; N553-T555 PolarHBondContact O-N 2.92Å; N553-P584 PolarHBondContact ND2-O 3.45Å
554Q66.5Low68.1Low182 Ų18287.2 Ų87.285%0.8545%0.445SS*.THydrogen-bonded Turntrans52.921.6-178.6-57.3-178.28.300114.1T550T550-Q554 PolarHBondContact O-N 3.23Å
555T55.2Low67.7Low51 Ų5184.6 Ų84.631%0.31344%0.435SS..  trans-96.2126.3-179.852.50000110.8N553 E557N553-T555 HydrophobicContact CB-CG2 4.49Å; N553-T555 WeakPolarHBondContact O-CG2 3.41Å; N553-T555 PolarHBondContact O-N 2.92Å; T555-E557 PolarHBondContact O-N 2.69Å
556N51.9Low67.6Low137 Ų13789 Ų8973%0.73346%0.455SS*.G310 helixtrans-77.1-6.2169.9-80.3-17.7000112.9N558 I559N556-N558 PolarHBondContact O-N 3.22Å; N556-I559 HydrophobicContact CB-CD1 4.42Å; N556-I559 WeakPolarHBondContact O-CG1 3.14Å; N556-I559 PolarHBondContact O-N 3.4Å
557E51.4Low67.8Low167 Ų16790.5 Ų90.578%0.7846%0.46SS*.G310 helixtrans-67.2-17.2-177.6-67.2-173.3160.100113.6T555 I559T555-E557 PolarHBondContact O-N 2.69Å; E557-I559 PolarHBondContact O-N 3.49Å
558N50Low68.1Low32 Ų3286.4 Ų86.417%0.17145%0.445CS..G310 helixtrans-84.5-2.3-177.4-73.9-17.3000115L546 T550 N556 D560 H561 V562L546-N558 HydrophobicContact CD1-CB 4.43Å; T550-N558 HydrophobicContact CG2-CB 4.17Å; T550-N558 PolarHBondContact OG1-ND2 2.76Å; N556-N558 PolarHBondContact O-N 3.22Å; N558-D560 VanDerWaalsContact C-N 3.32Å; N558-D560 PolarHBondContact O-N 3.42Å; N558-H561 WeakPolarHBondContact O-CB 3.03Å; N558-H561 PolarHBondContact O-N 3.18Å; N558-H561 VanDerWaalsContact O-N 3.1Å; N558-V562 PolarHBondContact O-N 3.43Å
559I50Low68.3Low105 Ų10583 Ų8354%0.53843%0.432SS..Hα-helixtrans-65-36.9-176-63.2171.5000111.2N556 E557 H561 V562N556-I559 HydrophobicContact CB-CD1 4.42Å; N556-I559 WeakPolarHBondContact O-CG1 3.14Å; N556-I559 PolarHBondContact O-N 3.4Å; E557-I559 PolarHBondContact O-N 3.49Å; I559-H561 VanDerWaalsContact C-N 3.25Å; I559-H561 PolarHBondContact O-N 2.91Å; I559-V562 PolarHBondContact O-N 3.48Å
560D51.7Low68.4Low136 Ų13688 Ų8873%0.72746%0.459SS*.Hα-helixtrans-67.2-26.3175.5-74.5-20.3000112.6N558N558-D560 VanDerWaalsContact C-N 3.32Å; N558-D560 PolarHBondContact O-N 3.42Å
561H53.4Low68.5Low106 Ų10692.4 Ų92.449%0.49148%0.475SS..Hα-helixtrans-74.3-26177.9-71.6-54.1000113.5N558 I559 N563 T564N558-H561 WeakPolarHBondContact O-CB 3.03Å; N558-H561 PolarHBondContact O-N 3.18Å; N558-H561 VanDerWaalsContact O-N 3.1Å; I559-H561 VanDerWaalsContact C-N 3.25Å; I559-H561 PolarHBondContact O-N 2.91Å; H561-N563 VanDerWaalsContact C-N 3.26Å; H561-N563 PolarHBondContact O-N 2.95Å; H561-T564 WeakPolarHBondContact CA-OG1 3.03Å; H561-T564 PolarHBondContact O-N 2.99Å; H561-T564 PolarHBondContact O-OG1 3.41Å
562V56.3Low68.6Low61 Ų6190.6 Ų90.637%0.3747%0.465SS..Hα-helixtrans-56.4-43.1179.8-1770000110.7M543 L546 N558 I559 T564M543-V562 HydrophobicContact CE-CG1 4.41Å; M543-V562 WeakPolarHBondContact CE-O 3.35Å; M543-V562 HydrophobicContact SD-CG1 4.07Å; L546-V562 HydrophobicContact CD2-CB 4.06Å; L546-V562 HydrophobicContact CD2-CG2 3.54Å; N558-V562 PolarHBondContact O-N 3.43Å; I559-V562 PolarHBondContact O-N 3.48Å; V562-T564 PolarHBondContact O-N 3.49Å
563N58Low68.4Low151 Ų15193.8 Ų93.881%0.80748%0.482SS*.THydrogen-bonded Turntrans-73.7-5.2-177.8-69.8-24.1000114.3H561H561-N563 VanDerWaalsContact C-N 3.26Å; H561-N563 PolarHBondContact O-N 2.95Å
564T71.1Confident68.4Low94 Ų9497.6 Ų97.658%0.57751%0.513SS*.THydrogen-bonded Turntrans-112.9-6.5-174.249.90000114.4H561 V562 H566H561-T564 WeakPolarHBondContact CA-OG1 3.03Å; H561-T564 PolarHBondContact O-N 2.99Å; H561-T564 PolarHBondContact O-OG1 3.41Å; V562-T564 PolarHBondContact O-N 3.49Å; T564-H566 PolarHBondContact O-N 3.29Å
565I83Confident68.8Low21 Ų2193.5 Ų93.511%0.10850%0.495CS..  trans-78.1117.3178.3-62.8-175.1000110.4T539 L542 M543 L546 I580 F582T539-I565 VanDerWaalsContact CG2-O 3.28Å; T539-I565 WeakPolarHBondContact CG2-O 3.28Å; L542-I565 HydrophobicContact CB-CG2 3.7Å; L542-I565 HydrophobicContact CD1-CG2 4.15Å; M543-I565 HydrophobicContact CE-CB 4.13Å; M543-I565 HydrophobicContact SD-CB 4.4Å; L546-I565 HydrophobicContact CB-CD1 3.93Å; L546-I565 HydrophobicContact CD1-CD1 4.28Å; L546-I565 HydrophobicContact CD2-CD1 3.65Å; L546-I565 HydrophobicContact CG-CD1 4.15Å; I565-I580 HydrophobicContact CG2-CD1 4.39Å; I565-F582 HydrophobicContact CD1-CE1 4Å; I565-F582 HydrophobicContact CD1-CZ 4.05Å
566H88.4Confident70Confident93 Ų9397.6 Ų97.643%0.43151%0.508SS..  trans-136.2141.4173.2-178.5-84.7000109.9T564 P568 P569 I580T564-H566 PolarHBondContact O-N 3.29Å; H566-P568 CarbonylContact C-O 3.54Å; H566-P568 PolarHBondContact ND1-O 3.43Å; H566-P568 CarbonylContact O-C 3.5Å; H566-P568 VanDerWaalsContact O-O 3.08Å; H566-P569 WeakPolarHBondContact O-CA 3.29Å; H566-I580 WeakPolarHBondContact O-CD1 3.48Å
567W91.8Very high71.5Confident42 Ų4292.7 Ų92.716%0.15948%0.48CS..SBendtrans-114.8129.1173.1-173-99.2000111.6I537 T539 L542 P569 I580 F613 M614 F643I537-W567 HydrophobicContact CB-CZ2 4.15Å; I537-W567 HydrophobicContact CG2-CD2 4.09Å; I537-W567 HydrophobicContact CG2-CE3 4.36Å; I537-W567 HydrophobicContact CG2-CG 4.45Å; I537-W567 HydrophobicContact CG2-CZ2 4.45Å; I537-W567 PolarHBondContact O-NE1 2.71Å; T539-W567 PolarHBondContact OG1-N 3.48Å; L542-W567 HydrophobicContact CD1-CB 4.06Å; L542-W567 HydrophobicContact CD1-CD2 4.24Å; L542-W567 HydrophobicContact CD1-CE3 3.64Å; L542-W567 HydrophobicContact CD1-CG 4.46Å; L542-W567 HydrophobicContact CD1-CZ3 4.41Å; W567-P569 HydrophobicContact CE3-CG 3.85Å; W567-P569 HydrophobicContact CZ3-CG 3.78Å; W567-I580 HydrophobicContact CE3-CD1 4.38Å; W567-F613 HydrophobicContact CZ3-CB 4.04Å; W567-M614 WeakPolarHBondContact CH2-O 3.18Å; W567-F643 HydrophobicContact CH2-CB 3.93Å; W567-F643 HydrophobicContact CZ2-CB 3.89Å
568P90.2Very high73.2Confident49 Ų4984.8 Ų84.832%0.31844%0.443SS..SBendcis-65.9159.1-328.8-35.4000112.4H566H566-P568 CarbonylContact C-O 3.54Å; H566-P568 PolarHBondContact ND1-O 3.43Å; H566-P568 CarbonylContact O-C 3.5Å; H566-P568 VanDerWaalsContact O-O 3.08Å
569P88.5Confident75.2Confident3 Ų385.5 Ų85.52%0.01945%0.445CS..PPolyproline II helixtrans-63.9134.7-177.6-21.534.6000112.2H566 W567 I580H566-P569 WeakPolarHBondContact O-CA 3.29Å; W567-P569 HydrophobicContact CE3-CG 3.85Å; W567-P569 HydrophobicContact CZ3-CG 3.78Å; P569-I580 HydrophobicContact CB-CD1 3.94Å; P569-I580 HydrophobicContact CB-CG1 3.74Å; P569-I580 HydrophobicContact CG-CD1 3.69Å; P569-I580 HydrophobicContact CG-CG1 3.74Å
570N84.7Confident77.3Confident109 Ų10981.6 Ų81.658%0.58342%0.424SS*.PPolyproline II helixtrans-63.1143.3173.5-68.4-31.2000111.4G578N570-G578 WeakPolarHBondContact O-CA 3.44Å
571K80.5Confident79.1Confident128 Ų12881.1 Ų81.156%0.55741%0.413SS*.PPolyproline II helixtrans-75.3126172.3-60.4-179.3-173.2-173.20109.4K576K571-K576 WeakPolarHBondContact CE-O 3.27Å; K571-K576 PolarHBondContact NZ-O 3.07Å
572I77Confident81Confident105 Ų10576.5 Ų76.554%0.53839%0.392SS..  trans-117.7143.9-179-58.1170.3000109.4S574 M575I572-S574 PolarHBondContact O-N 3.09Å; I572-M575 WeakPolarHBondContact O-CB 3.3Å; I572-M575 PolarHBondContact O-N 2.85Å
573N66.1Low82.5Confident149 Ų14974.7 Ų74.780%0.79739%0.385SS*.THydrogen-bonded Turntrans35.665.8164.3-64.3-12.8000114.7M575N573-M575 VanDerWaalsContact C-N 3.32Å; N573-M575 PolarHBondContact O-N 3.46Å
574S71.7Confident84.1Confident128 Ų12870.4 Ų70.490%0.89537%0.366SS*.THydrogen-bonded Turntrans70.52.217673.60000118.2I572I572-S574 PolarHBondContact O-N 3.09Å
575M74.7Confident85.1Confident97 Ų9766 Ų6648%0.47834%0.339SS..  trans-66.7138.3172.6-67.3-167.4178.900111.6I572 N573 Y577I572-M575 WeakPolarHBondContact O-CB 3.3Å; I572-M575 PolarHBondContact O-N 2.85Å; N573-M575 VanDerWaalsContact C-N 3.32Å; N573-M575 PolarHBondContact O-N 3.46Å; M575-Y577 VanDerWaalsContact C-N 3.27Å; M575-Y577 WeakPolarHBondContact CB-O 3.29Å; M575-Y577 PolarHBondContact O-N 2.9Å
576K80.3Confident85.6Confident137 Ų13768.1 Ų68.160%0.59635%0.35SS*.SBendtrans-70.2-24-178.8-57.7-173.6179-179.80113.2K571 V622K571-K576 WeakPolarHBondContact CE-O 3.27Å; K571-K576 PolarHBondContact NZ-O 3.07Å; K576-V622 HydrophobicContact CB-CB 4.45Å; K576-V622 HydrophobicContact CB-CG1 3.81Å; K576-V622 HydrophobicContact CB-CG2 3.77Å; K576-V622 HydrophobicContact CD-CG1 3.37Å; K576-V622 HydrophobicContact CG-CG1 4.22Å
577Y83.2Confident85.9Confident33 Ų3363.7 Ų63.713%0.12933%0.33CS..SBendtrans-146.9153.6177.746.7-102.7000109.3M575 K579 M614 T619 V622 I624 F627M575-Y577 VanDerWaalsContact C-N 3.27Å; M575-Y577 WeakPolarHBondContact CB-O 3.29Å; M575-Y577 PolarHBondContact O-N 2.9Å; Y577-K579 HydrophobicContact CD2-CG 4.41Å; Y577-K579 HydrophobicContact CE2-CG 4.42Å; Y577-M614 HydrophobicContact CD2-CE 3.53Å; Y577-M614 HydrophobicContact CE2-CE 3.1Å; Y577-M614 HydrophobicContact CE2-SD 4.26Å; Y577-M614 HydrophobicContact CG-CE 4.44Å; Y577-T619 HydrophobicContact CD1-CG2 4.18Å; Y577-T619 HydrophobicContact CE1-CG2 4.13Å; Y577-T619 HydrophobicContact CG-CG2 4.46Å; Y577-V622 HydrophobicContact CD1-CB 4.23Å; Y577-V622 HydrophobicContact CD1-CG2 3.73Å; Y577-I624 HydrophobicContact CE1-CD1 4.03Å; Y577-F627 AromaticContact CE1-CE2 3.97Å; Y577-F627 HydrophobicContact CE1-CE2 3.97Å; Y577-F627 HydrophobicContact CE1-CZ 4.47Å
578G87.5Confident86.2Confident1 Ų165.8 Ų65.81%0.0134%0.341CS..  trans-79.6159.2-18000000113.6N570N570-G578 WeakPolarHBondContact O-CA 3.44Å
579K91.5Very high86.6Confident48 Ų4863.6 Ų63.621%0.20933%0.327CS..  trans-139.1140.3-179.9-65.8-168.5167.1-155.90110.5Y577 Y581 M614 E646Y577-K579 HydrophobicContact CD2-CG 4.41Å; Y577-K579 HydrophobicContact CE2-CG 4.42Å; K579-Y581 HydrophobicContact CB-CD2 4.45Å; K579-Y581 HydrophobicContact CB-CE2 3.72Å; K579-Y581 HydrophobicContact CD-CE2 4.31Å; K579-Y581 WeakPolarHBondContact CD-OH 3.38Å; K579-M614 HydrophobicContact CD-SD 4.38Å; K579-M614 HydrophobicContact CG-CG 4Å; K579-M614 HydrophobicContact CG-SD 4.3Å; K579-E646 IonicContact NZ-OE2 3.71Å; K579-E646 PolarHBondContact NZ-OE2 3.47Å
580I92.9Very high87Confident22 Ų2266.2 Ų66.211%0.11334%0.34CS..EExtended strand (participates in β ladder)trans-122.5123.9173-58.8171.2000108.9L542 I565 H566 W567 P569 F582 C612 F613L542-I580 HydrophobicContact CD1-CD1 3.54Å; I565-I580 HydrophobicContact CG2-CD1 4.39Å; H566-I580 WeakPolarHBondContact O-CD1 3.48Å; W567-I580 HydrophobicContact CE3-CD1 4.38Å; P569-I580 HydrophobicContact CB-CD1 3.94Å; P569-I580 HydrophobicContact CB-CG1 3.74Å; P569-I580 HydrophobicContact CG-CD1 3.69Å; P569-I580 HydrophobicContact CG-CG1 3.74Å; I580-F582 HydrophobicContact CB-CE2 4.42Å; I580-F582 HydrophobicContact CG2-CD2 4.28Å; I580-F582 HydrophobicContact CG2-CE2 3.48Å; I580-F582 VanDerWaalsContact CG2-CE2 3.48Å; I580-F582 HydrophobicContact CG2-CZ 3.69Å; I580-C612 CarbonylContact O-C 3.55Å; I580-C612 VanDerWaalsContact O-CA 3.29Å; I580-C612 WeakPolarHBondContact O-CA 3.3Å; I580-F613 PolarHBondContact N-O 3.22Å; I580-F613 PolarHBondContact O-N 2.95Å
581Y91.3Very high87.6Confident126 Ų12661 Ų6149%0.49431%0.313SS..EExtended strand (participates in β ladder)trans-103.4142-176.1-63.2-91.6000111.6K579 L611 C612K579-Y581 HydrophobicContact CB-CD2 4.45Å; K579-Y581 HydrophobicContact CB-CE2 3.72Å; K579-Y581 HydrophobicContact CD-CE2 4.31Å; K579-Y581 WeakPolarHBondContact CD-OH 3.38Å; Y581-L611 CarbonylContact C-O 3.49Å; Y581-L611 VanDerWaalsContact CA-O 3.25Å; Y581-L611 WeakPolarHBondContact CA-O 3.28Å; Y581-C612 HydrophobicContact CD1-CB 3.65Å; Y581-C612 HydrophobicContact CE1-CB 3.61Å; Y581-C612 HydrophobicContact CG-CB 4.47Å
582F92.6Very high88.3Confident10 Ų1055 Ų554%0.04429%0.286CS..EExtended strand (participates in β ladder)trans-135.5156.9170.8-62.1-84.1000110L542 M545 L546 T549 I565 I580 N610 L611 F613L542-F582 HydrophobicContact CB-CZ 4.16Å; L542-F582 HydrophobicContact CD2-CE2 3.99Å; L542-F582 HydrophobicContact CD2-CZ 4.26Å; M545-F582 HydrophobicContact CB-CD1 4.08Å; M545-F582 HydrophobicContact CB-CE1 3.85Å; M545-F582 HydrophobicContact CB-CE2 4.32Å; M545-F582 HydrophobicContact CB-CG 4.42Å; M545-F582 HydrophobicContact CB-CZ 3.97Å; M545-F582 HydrophobicContact CE-CB 3.92Å; M545-F582 HydrophobicContact CE-CG 4.37Å; M545-F582 HydrophobicContact CG-CB 4.06Å; M545-F582 HydrophobicContact CG-CD1 3.52Å; M545-F582 HydrophobicContact CG-CD2 3.79Å; M545-F582 HydrophobicContact CG-CE1 3.81Å; M545-F582 HydrophobicContact CG-CE2 4.05Å; M545-F582 HydrophobicContact CG-CG 3.5Å; M545-F582 HydrophobicContact CG-CZ 4.06Å; L546-F582 HydrophobicContact CB-CE1 3.92Å; L546-F582 HydrophobicContact CD1-CE1 4.38Å; T549-F582 HydrophobicContact CG2-CB 4.24Å; I565-F582 HydrophobicContact CD1-CE1 4Å; I565-F582 HydrophobicContact CD1-CZ 4.05Å; I580-F582 HydrophobicContact CB-CE2 4.42Å; I580-F582 HydrophobicContact CG2-CD2 4.28Å; I580-F582 HydrophobicContact CG2-CE2 3.48Å; I580-F582 VanDerWaalsContact CG2-CE2 3.48Å; I580-F582 HydrophobicContact CG2-CZ 3.69Å; F582-N610 CarbonylContact O-C 3.33Å; F582-N610 WeakPolarHBondContact O-CA 3.21Å; F582-L611 HydrophobicContact CB-CB 4.35Å; F582-L611 PolarHBondContact N-O 3.27Å; F582-L611 PolarHBondContact O-N 3.5Å; F582-F613 AromaticContact CD2-CD2 3.54Å; F582-F613 HydrophobicContact CD2-CD2 3.54Å; F582-F613 AromaticContact CD2-CE2 3.57Å; F582-F613 HydrophobicContact CD2-CE2 3.57Å; F582-F613 AromaticContact CE2-CD2 3.68Å; F582-F613 HydrophobicContact CE2-CD2 3.68Å; F582-F613 AromaticContact CE2-CE2 3.94Å; F582-F613 HydrophobicContact CE2-CE2 3.94Å
583G86.9Confident89.3Confident22 Ų2253.8 Ų53.823%0.22728%0.28CS..  trans130.8177.2176.700000112.4
584P92Very high90.5Very high62 Ų6251.4 Ų51.440%0.40326%0.26SS..  cis-66.5160.5-9.529.8-35.9000112.4N553 I608 Y609N553-P584 PolarHBondContact ND2-O 3.45Å; P584-I608 CarbonylContact C-O 3.48Å; P584-I608 VanDerWaalsContact CA-O 3.29Å; P584-I608 WeakPolarHBondContact CA-O 3.35Å; P584-Y609 WeakPolarHBondContact CA-O 3.36Å
585L91.4Very high91.5Very high2 Ų246.1 Ų46.11%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-139.8119.3179.1171.466.4000110.2M545 Y548 L552 I587 I608 L611 P668 I673M545-L585 HydrophobicContact CE-CD2 4.19Å; Y548-L585 HydrophobicContact CD1-CD1 3.96Å; Y548-L585 HydrophobicContact CE1-CD1 3.71Å; L552-L585 HydrophobicContact CD1-CD1 3.41Å; L552-L585 VanDerWaalsContact CD1-CD1 3.41Å; L585-I587 HydrophobicContact CD2-CG2 4.11Å; L585-I587 HydrophobicContact CG-CG2 3.99Å; L585-I608 HydrophobicContact CB-CB 4.24Å; L585-I608 PolarHBondContact N-O 3.32Å; L585-I608 WeakPolarHBondContact O-CB 3.13Å; L585-I608 PolarHBondContact O-N 3.17Å; L585-L611 HydrophobicContact CD2-CD1 4.29Å; L585-P668 HydrophobicContact CD1-CG 3.93Å; L585-P668 HydrophobicContact CD2-CG 4.41Å; L585-P668 HydrophobicContact CG-CG 4.5Å; L585-I673 HydrophobicContact CD2-CD1 4.28Å
586D94.2Very high92.4Very high65 Ų6544.4 Ų44.435%0.34822%0.215SC..EExtended strand (participates in β ladder)trans-83133.3170.7-77.4-22.8000111.2K605 T607D586-K605 IonicContact OD1-NZ 3.94Å; D586-K605 WeakPolarHBondContact OD2-CE 3.38Å; D586-K605 IonicContact OD2-NZ 2.68Å; D586-K605 PolarHBondContact OD2-NZ 2.87Å; D586-T607 PolarHBondContact OD1-OG1 2.82Å
587I95.9Very high92.9Very high0 Ų044 Ų440%022%0.215CC..EExtended strand (participates in β ladder)trans-126.9154.8176.669173.2000111.5L585 Q589 K605 R606 I608 T653 L658 P668L585-I587 HydrophobicContact CD2-CG2 4.11Å; L585-I587 HydrophobicContact CG-CG2 3.99Å; I587-Q589 HydrophobicContact CD1-CG 3.64Å; I587-Q589 HydrophobicContact CG1-CG 4.05Å; I587-K605 CarbonylContact O-C 3.55Å; I587-K605 VanDerWaalsContact O-CA 3.32Å; I587-K605 WeakPolarHBondContact O-CA 3.46Å; I587-R606 HydrophobicContact CD1-CB 4.22Å; I587-R606 HydrophobicContact CG1-CB 3.77Å; I587-R606 WeakPolarHBondContact CG1-O 3.28Å; I587-R606 PolarHBondContact N-O 3.03Å; I587-R606 PolarHBondContact O-N 3.42Å; I587-I608 HydrophobicContact CD1-CD1 3.9Å; I587-I608 HydrophobicContact CD1-CG1 4.2Å; I587-I608 HydrophobicContact CG1-CD1 4.48Å; I587-I608 HydrophobicContact CG1-CG1 4.46Å; I587-I608 HydrophobicContact CG2-CG1 4.18Å; I587-T653 HydrophobicContact CD1-CG2 4.19Å; I587-L658 HydrophobicContact CD1-CB 4.46Å; I587-L658 HydrophobicContact CD1-CD1 4.03Å; I587-L658 HydrophobicContact CG2-CD1 4.14Å; I587-P668 HydrophobicContact CG2-CG 4.16Å
588H97.8Very high93.2Very high86 Ų8650.7 Ų50.740%0.39824%0.24SC..EExtended strand (participates in β ladder)trans-113.5119.5170.8-69.6-95.3000109.6C666 N667H588-C666 WeakPolarHBondContact O-CA 3.38Å; H588-N667 PolarHBondContact N-O 3.37Å; H588-N667 PolarHBondContact O-N 2.97Å
589Q97.5Very high93.3Very high2 Ų258 Ų581%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-115.3116.1-179.3-59-165-59.400110.8I587 N603 R604 Y654 C666I587-Q589 HydrophobicContact CD1-CG 3.64Å; I587-Q589 HydrophobicContact CG1-CG 4.05Å; Q589-N603 PolarHBondContact N-OD1 3.04Å; Q589-N603 WeakPolarHBondContact O-CA 3.38Å; Q589-N603 PolarHBondContact O-OD1 3.12Å; Q589-R604 PolarHBondContact N-O 3.08Å; Q589-R604 PolarHBondContact O-N 3.16Å; Q589-Y654 HydrophobicContact CB-CD2 4.49Å; Q589-Y654 PolarHBondContact NE2-O 3Å; Q589-C666 HydrophobicContact CG-CB 4.42Å; Q589-C666 PolarHBondContact NE2-SG 3.3Å
590L97.3Very high93.4Very high59 Ų5959.7 Ų59.731%0.30928%0.283SS..EExtended strand (participates in β ladder)trans-68.7148159.2-69.5170000109.4P592 L601 L602 N603 R665L590-P592 WeakPolarHBondContact O-CD 3.43Å; L590-P592 VanDerWaalsContact O-N 3.13Å; L590-L601 HydrophobicContact CD2-CD1 4.44Å; L590-L602 CarbonylContact C-O 3.51Å; L590-L602 WeakPolarHBondContact CA-O 3.34Å; L590-N603 HydrophobicContact CD2-CB 3.67Å; L590-R665 HydrophobicContact CB-CB 4.12Å; L590-R665 HydrophobicContact CD1-CB 4.37Å; L590-R665 HydrophobicContact CD1-CG 4.32Å; L590-R665 PolarHBondContact N-O 3.37Å
591T96.3Very high93.5Very high0 Ų064 Ų640%031%0.305CS..PPolyproline II helixtrans-49.1121172.8-61.70000110.1V595 L596 R599 P600 L602 R604 R665T591-V595 HydrophobicContact CG2-CG2 3.84Å; T591-L596 HydrophobicContact CG2-CD2 3.73Å; T591-L596 HydrophobicContact CG2-CG 4.46Å; T591-L596 WeakPolarHBondContact O-CD2 3.38Å; T591-R599 HydrophobicContact CG2-CB 3.68Å; T591-P600 WeakPolarHBondContact CB-O 3.45Å; T591-P600 PolarHBondContact OG1-O 3.04Å; T591-L602 PolarHBondContact N-O 2.72Å; T591-L602 PolarHBondContact OG1-N 2.97Å; T591-L602 VanDerWaalsContact OG1-N 3.11Å; T591-L602 PolarHBondContact OG1-O 3.23Å; T591-R604 PolarHBondContact OG1-NH1 3.34Å; T591-R665 PolarHBondContact O-NH2 3.34Å
592P97Very high93.7Very high1 Ų161.9 Ų61.91%0.00630%0.302CS..PPolyproline II helixtrans-62.5147-171.6-2935.3000114.5L590 R594 V595 L596 Y654 E657 D662L590-P592 WeakPolarHBondContact O-CD 3.43Å; L590-P592 VanDerWaalsContact O-N 3.13Å; P592-R594 VanDerWaalsContact C-N 3.26Å; P592-R594 HydrophobicContact CB-CG 4.31Å; P592-R594 PolarHBondContact O-N 3.13Å; P592-V595 HydrophobicContact CB-CG2 4.13Å; P592-V595 HydrophobicContact CG-CG2 4.33Å; P592-V595 WeakPolarHBondContact O-CG2 3.49Å; P592-V595 PolarHBondContact O-N 3.26Å; P592-L596 WeakPolarHBondContact O-CG 3.3Å; P592-L596 PolarHBondContact O-N 3.24Å; P592-L596 VanDerWaalsContact O-N 3.15Å; P592-Y654 VanDerWaalsContact CD-CD2 3.42Å; P592-Y654 HydrophobicContact CG-CD1 3.62Å; P592-Y654 HydrophobicContact CG-CD2 3.6Å; P592-Y654 HydrophobicContact CG-CE1 3.98Å; P592-Y654 HydrophobicContact CG-CE2 3.96Å; P592-Y654 HydrophobicContact CG-CG 3.42Å; P592-Y654 VanDerWaalsContact CG-CG 3.42Å; P592-E657 HydrophobicContact CB-CG 3.72Å; P592-E657 WeakPolarHBondContact CB-OE1 3.31Å; P592-E657 HydrophobicContact CG-CB 4.48Å; P592-E657 HydrophobicContact CG-CG 3.66Å; P592-D662 WeakPolarHBondContact CA-OD2 3.48Å
593I96.4Very high93.9Very high80 Ų8066 Ų6641%0.4133%0.325SS..G310 helixtrans-51.8-46.4-177.8-65.2175.6000111.4V595 L596 D662 L663I593-V595 PolarHBondContact O-N 3.38Å; I593-L596 HydrophobicContact CG1-CD1 4.35Å; I593-L596 PolarHBondContact O-N 3.48Å; I593-L596 VanDerWaalsContact O-N 3.15Å; I593-D662 PolarHBondContact N-OD2 2.88Å; I593-L663 HydrophobicContact CD1-CD1 3.88Å
594R93.1Very high94.3Very high98 Ų9868.1 Ų68.137%0.3733%0.326SS..G310 helixtrans-62.1-15.1-177.470.5173.5-179.2106.4-4.6115.2D435 P592 H597 E657D435-R594 IonicContact OD1-NH1 3.55Å; D435-R594 PolarHBondContact OD1-NH1 3Å; D435-R594 IonicContact OD2-CZ 3.49Å; D435-R594 IonicContact OD2-NH1 2.73Å; D435-R594 PolarHBondContact OD2-NH1 2.79Å; D435-R594 IonicContact OD2-NH2 3.7Å; D435-R594 PolarHBondContact OD2-NH2 3.41Å; P592-R594 VanDerWaalsContact C-N 3.26Å; P592-R594 HydrophobicContact CB-CG 4.31Å; P592-R594 PolarHBondContact O-N 3.13Å; R594-H597 PolarHBondContact O-CE1 3.12Å; R594-H597 VanDerWaalsContact O-CE1 3.26Å; R594-E657 IonicContact CZ-OE1 2.84Å; R594-E657 IonicContact NE-OE1 2.81Å; R594-E657 PolarHBondContact NE-OE1 3.37Å; R594-E657 IonicContact NH2-OE1 3.25Å; R594-E657 PolarHBondContact NH2-OE1 3.43Å; R594-E657 IonicContact NH2-OE2 3.56Å
595V91.9Very high94.5Very high18 Ų1870.4 Ų70.411%0.10933%0.33CS..G310 helixtrans-117.6-2.7177.9-58.80000113.7T591 P592 I593 H597 R598 R599 Y654T591-V595 HydrophobicContact CG2-CG2 3.84Å; P592-V595 HydrophobicContact CB-CG2 4.13Å; P592-V595 HydrophobicContact CG-CG2 4.33Å; P592-V595 WeakPolarHBondContact O-CG2 3.49Å; P592-V595 PolarHBondContact O-N 3.26Å; I593-V595 PolarHBondContact O-N 3.38Å; V595-H597 PolarHBondContact O-N 3.42Å; V595-R598 PolarHBondContact O-N 2.86Å; V595-R599 HydrophobicContact CB-CG 4.17Å; V595-R599 HydrophobicContact CG2-CB 4.43Å; V595-R599 HydrophobicContact CG2-CG 4.2Å; V595-R599 WeakPolarHBondContact O-CB 3.31Å; V595-R599 PolarHBondContact O-N 2.91Å; V595-Y654 HydrophobicContact CG2-CE1 4.38Å
596L92.7Very high94.7Very high61 Ų6172.9 Ų72.932%0.31934%0.339SS..THydrogen-bonded Turntrans-57.7-32.2-177.7-80.4176.7000113.2T591 P592 I593 R598 R599 L601T591-L596 HydrophobicContact CG2-CD2 3.73Å; T591-L596 HydrophobicContact CG2-CG 4.46Å; T591-L596 WeakPolarHBondContact O-CD2 3.38Å; P592-L596 WeakPolarHBondContact O-CG 3.3Å; P592-L596 PolarHBondContact O-N 3.24Å; P592-L596 VanDerWaalsContact O-N 3.15Å; I593-L596 HydrophobicContact CG1-CD1 4.35Å; I593-L596 PolarHBondContact O-N 3.48Å; I593-L596 VanDerWaalsContact O-N 3.15Å; L596-R598 PolarHBondContact O-N 3.36Å; L596-R598 VanDerWaalsContact O-N 3.11Å; L596-R599 VanDerWaalsContact O-O 3.06Å; L596-L601 HydrophobicContact CD2-CB 4.28Å; L596-L601 HydrophobicContact CD2-CD1 3.85Å
597H91.6Very high94.7Very high129 Ų12971 Ų7160%0.59733%0.329SS*.THydrogen-bonded Turntrans-67-10.7178.467.4-63.7000114.2R594 V595R594-H597 PolarHBondContact O-CE1 3.12Å; R594-H597 VanDerWaalsContact O-CE1 3.26Å; V595-H597 PolarHBondContact O-N 3.42Å
598R88.4Confident94.8Very high172 Ų17271 Ų7165%0.64933%0.329SS*.THydrogen-bonded Turntrans-130-3.8-179.8-66.8-177.3-65.1-127.4-0.4113.9V595 L596V595-R598 PolarHBondContact O-N 2.86Å; L596-R598 PolarHBondContact O-N 3.36Å; L596-R598 VanDerWaalsContact O-N 3.11Å
599R90.1Very high94.6Very high156 Ų15670.3 Ų70.359%0.58932%0.324SS*.SBendtrans-133139.2-174-64.3-67.6-172.2152.90.2109.5T591 V595 L596T591-R599 HydrophobicContact CG2-CB 3.68Å; V595-R599 HydrophobicContact CB-CG 4.17Å; V595-R599 HydrophobicContact CG2-CB 4.43Å; V595-R599 HydrophobicContact CG2-CG 4.2Å; V595-R599 WeakPolarHBondContact O-CB 3.31Å; V595-R599 PolarHBondContact O-N 2.91Å; L596-R599 VanDerWaalsContact O-O 3.06Å
600P93.6Very high94.5Very high83 Ų8373.6 Ų73.654%0.53934%0.342SS..  trans-62.1145.4175.726.7-34.4000110.9T591 L602T591-P600 WeakPolarHBondContact CB-O 3.45Å; T591-P600 PolarHBondContact OG1-O 3.04Å; P600-L602 HydrophobicContact CB-CD1 4.41Å; P600-L602 HydrophobicContact CB-CG 4.39Å; P600-L602 HydrophobicContact CG-CD1 3.98Å; P600-L602 HydrophobicContact CG-CG 4.44Å; P600-L602 PolarHBondContact O-N 2.93Å
601L95.9Very high94.5Very high111 Ų11170.8 Ų70.858%0.58133%0.327SS*.  trans-69.5109.2173.2178.664.4000109.4L590 L596L590-L601 HydrophobicContact CD2-CD1 4.44Å; L596-L601 HydrophobicContact CD2-CB 4.28Å; L596-L601 HydrophobicContact CD2-CD1 3.85Å
602L95.3Very high94.4Very high82 Ų8271 Ų7143%0.42933%0.328SS..  trans-140141.3-179.5-71.1174.2000109.5L590 T591 P600L590-L602 CarbonylContact C-O 3.51Å; L590-L602 WeakPolarHBondContact CA-O 3.34Å; T591-L602 PolarHBondContact N-O 2.72Å; T591-L602 PolarHBondContact OG1-N 2.97Å; T591-L602 VanDerWaalsContact OG1-N 3.11Å; T591-L602 PolarHBondContact OG1-O 3.23Å; P600-L602 HydrophobicContact CB-CD1 4.41Å; P600-L602 HydrophobicContact CB-CG 4.39Å; P600-L602 HydrophobicContact CG-CD1 3.98Å; P600-L602 HydrophobicContact CG-CG 4.44Å; P600-L602 PolarHBondContact O-N 2.93Å
603N96.4Very high94.4Very high96 Ų9671 Ų7151%0.51333%0.328SS..EExtended strand (participates in β ladder)trans-93.8129.3168.9-167.98.9000109.3Q589 L590Q589-N603 PolarHBondContact N-OD1 3.04Å; Q589-N603 WeakPolarHBondContact O-CA 3.38Å; Q589-N603 PolarHBondContact O-OD1 3.12Å; L590-N603 HydrophobicContact CD2-CB 3.67Å
604R95.1Very high94.4Very high68 Ų6867.1 Ų67.126%0.25731%0.308SS..EExtended strand (participates in β ladder)trans-129.3128.6-178.7-61.1-175.7-174.578.5-5.6110.3Q589 T591Q589-R604 PolarHBondContact N-O 3.08Å; Q589-R604 PolarHBondContact O-N 3.16Å; T591-R604 PolarHBondContact OG1-NH1 3.34Å
605K96.3Very high94.4Very high110 Ų11063 Ų6348%0.47830%0.295SS..EExtended strand (participates in β ladder)trans-68.1136.7164.3-172.8-179.4177-176.90109D586 I587D586-K605 IonicContact OD1-NZ 3.94Å; D586-K605 WeakPolarHBondContact OD2-CE 3.38Å; D586-K605 IonicContact OD2-NZ 2.68Å; D586-K605 PolarHBondContact OD2-NZ 2.87Å; I587-K605 CarbonylContact O-C 3.55Å; I587-K605 VanDerWaalsContact O-CA 3.32Å; I587-K605 WeakPolarHBondContact O-CA 3.46Å
606R95.3Very high94.6Very high54 Ų5462.2 Ų62.220%0.20429%0.29CS..EExtended strand (participates in β ladder)trans-138.1140.9175.2-65.6-67.9175-117.720.7110.1I587 E650I587-R606 HydrophobicContact CD1-CB 4.22Å; I587-R606 HydrophobicContact CG1-CB 3.77Å; I587-R606 WeakPolarHBondContact CG1-O 3.28Å; I587-R606 PolarHBondContact N-O 3.03Å; I587-R606 PolarHBondContact O-N 3.42Å; R606-E650 WeakPolarHBondContact CA-OE2 3.43Å
607T95.2Very high94.6Very high24 Ų2462.9 Ų62.915%0.14730%0.296CS..EExtended strand (participates in β ladder)trans-97.5125.4174.5-43.50000110.1D586 Y609 E650D586-T607 PolarHBondContact OD1-OG1 2.82Å; T607-Y609 HydrophobicContact CG2-CD1 4.03Å; T607-Y609 HydrophobicContact CG2-CE1 4.01Å; T607-E650 VanDerWaalsContact CB-OE1 3.26Å; T607-E650 WeakPolarHBondContact CB-OE1 3.41Å; T607-E650 VanDerWaalsContact N-CD 3.28Å; T607-E650 PolarHBondContact N-OE2 3.24Å; T607-E650 PolarHBondContact O-N 2.93Å; T607-E650 PolarHBondContact OG1-OE1 3.28Å
608I96.6Very high94.6Very high0 Ų059.3 Ų59.30%028%0.279CS..EExtended strand (participates in β ladder)trans-92.7109.9164-48.8-53.5000106.5P584 L585 I587 L611 I647 C649 T653 L658P584-I608 CarbonylContact C-O 3.48Å; P584-I608 VanDerWaalsContact CA-O 3.29Å; P584-I608 WeakPolarHBondContact CA-O 3.35Å; L585-I608 HydrophobicContact CB-CB 4.24Å; L585-I608 PolarHBondContact N-O 3.32Å; L585-I608 WeakPolarHBondContact O-CB 3.13Å; L585-I608 PolarHBondContact O-N 3.17Å; I587-I608 HydrophobicContact CD1-CD1 3.9Å; I587-I608 HydrophobicContact CD1-CG1 4.2Å; I587-I608 HydrophobicContact CG1-CD1 4.48Å; I587-I608 HydrophobicContact CG1-CG1 4.46Å; I587-I608 HydrophobicContact CG2-CG1 4.18Å; I608-L611 HydrophobicContact CG2-CD1 4.27Å; I608-L611 HydrophobicContact CG2-CD2 3.85Å; I608-L611 HydrophobicContact CG2-CG 3.72Å; I608-I647 HydrophobicContact CG2-CG2 4Å; I608-C649 HydrophobicContact CD1-CB 3.49Å; I608-C649 VanDerWaalsContact CD1-CB 3.49Å; I608-C649 HydrophobicContact CG2-CB 4.49Å; I608-T653 HydrophobicContact CD1-CG2 3.66Å; I608-L658 HydrophobicContact CD1-CD1 4.43Å; I608-L658 HydrophobicContact CD1-CD2 3.66Å; I608-L658 HydrophobicContact CG1-CD1 4.17Å; I608-L658 HydrophobicContact CG1-CD2 4.03Å
609Y95.2Very high94.7Very high73 Ų7351.1 Ų51.129%0.28625%0.249SC..EExtended strand (participates in β ladder)trans-69-51.7-178.2-60.7-63.8000111A523 P584 T607 R648 E650A523-Y609 HydrophobicContact CB-CD2 4.14Å; A523-Y609 HydrophobicContact CB-CE2 3.86Å; P584-Y609 WeakPolarHBondContact CA-O 3.36Å; T607-Y609 HydrophobicContact CG2-CD1 4.03Å; T607-Y609 HydrophobicContact CG2-CE1 4.01Å; Y609-R648 WeakPolarHBondContact CA-O 3.17Å; Y609-R648 WeakPolarHBondContact CB-O 3.48Å; Y609-R648 HydrophobicContact CD2-CG 4.15Å; Y609-R648 PolarHBondContact N-O 2.67Å; Y609-E650 HydrophobicContact CE2-CG 3.97Å; Y609-E650 WeakPolarHBondContact OH-CG 3.46Å
610N95.2Very high94.8Very high71 Ų7144.6 Ų44.638%0.3823%0.225SC..EExtended strand (participates in β ladder)trans-142.2142.8179.9-70.3-23.5000111F582 I647 R648F582-N610 CarbonylContact O-C 3.33Å; F582-N610 WeakPolarHBondContact O-CA 3.21Å; N610-I647 WeakPolarHBondContact O-CA 3.28Å; N610-R648 HydrophobicContact CB-CB 4.22Å; N610-R648 PolarHBondContact N-O 3.16Å; N610-R648 VanDerWaalsContact N-O 3.13Å; N610-R648 PolarHBondContact O-N 3.27Å
611L96.6Very high94.5Very high0 Ų043.8 Ų43.80%023%0.232CC..EExtended strand (participates in β ladder)trans-117.3134165.4-68.2164.4000107.6M545 Y581 F582 L585 I608 F613 L645 E646 I647 L658 L670M545-L611 HydrophobicContact CE-CD1 3.25Å; Y581-L611 CarbonylContact C-O 3.49Å; Y581-L611 VanDerWaalsContact CA-O 3.25Å; Y581-L611 WeakPolarHBondContact CA-O 3.28Å; F582-L611 HydrophobicContact CB-CB 4.35Å; F582-L611 PolarHBondContact N-O 3.27Å; F582-L611 PolarHBondContact O-N 3.5Å; L585-L611 HydrophobicContact CD2-CD1 4.29Å; I608-L611 HydrophobicContact CG2-CD1 4.27Å; I608-L611 HydrophobicContact CG2-CD2 3.85Å; I608-L611 HydrophobicContact CG2-CG 3.72Å; L611-F613 HydrophobicContact CB-CE2 4.06Å; L611-L645 HydrophobicContact CB-CD1 4.43Å; L611-L645 HydrophobicContact CD2-CD1 4.17Å; L611-L645 HydrophobicContact CD2-CD2 4.46Å; L611-E646 CarbonylContact C-O 2.86Å; L611-E646 WeakPolarHBondContact CA-O 3.46Å; L611-I647 HydrophobicContact CD2-CB 4.31Å; L611-I647 HydrophobicContact CD2-CG1 3.86Å; L611-I647 HydrophobicContact CD2-CG2 3.96Å; L611-L658 HydrophobicContact CD2-CD2 4.43Å; L611-L670 HydrophobicContact CD1-CD2 4.02Å
612C95.6Very high94Very high4 Ų439.5 Ų39.53%0.02721%0.211CC..EExtended strand (participates in β ladder)trans-128.9113179.6164.80000109.7I580 Y581 L645 E646I580-C612 CarbonylContact O-C 3.55Å; I580-C612 VanDerWaalsContact O-CA 3.29Å; I580-C612 WeakPolarHBondContact O-CA 3.3Å; Y581-C612 HydrophobicContact CD1-CB 3.65Å; Y581-C612 HydrophobicContact CE1-CB 3.61Å; Y581-C612 HydrophobicContact CG-CB 4.47Å; C612-L645 WeakPolarHBondContact O-CA 3.26Å; C612-E646 HydrophobicContact CB-CB 3.94Å; C612-E646 PolarHBondContact N-O 3.42Å; C612-E646 PolarHBondContact O-N 2.94Å
613F96.3Very high93.2Very high0 Ų042.2 Ų42.20%023%0.225CC..EExtended strand (participates in β ladder)trans-92.4135.2179.7-68.4-99.3000110.5I537 L542 W567 I580 F582 L611 F643 L645 L670 F674I537-F613 HydrophobicContact CD1-CD1 3.53Å; I537-F613 HydrophobicContact CD1-CE1 3.53Å; L542-F613 HydrophobicContact CD2-CB 4.49Å; L542-F613 HydrophobicContact CD2-CD1 4.18Å; L542-F613 HydrophobicContact CD2-CD2 4.43Å; L542-F613 HydrophobicContact CD2-CG 4.12Å; W567-F613 HydrophobicContact CZ3-CB 4.04Å; I580-F613 PolarHBondContact N-O 3.22Å; I580-F613 PolarHBondContact O-N 2.95Å; F582-F613 AromaticContact CD2-CD2 3.54Å; F582-F613 HydrophobicContact CD2-CD2 3.54Å; F582-F613 AromaticContact CD2-CE2 3.57Å; F582-F613 HydrophobicContact CD2-CE2 3.57Å; F582-F613 AromaticContact CE2-CD2 3.68Å; F582-F613 HydrophobicContact CE2-CD2 3.68Å; F582-F613 AromaticContact CE2-CE2 3.94Å; F582-F613 HydrophobicContact CE2-CE2 3.94Å; L611-F613 HydrophobicContact CB-CE2 4.06Å; F613-F643 AromaticContact CD1-CD2 3.94Å; F613-F643 HydrophobicContact CD1-CD2 3.94Å; F613-F643 AromaticContact CD1-CE2 3.8Å; F613-F643 HydrophobicContact CD1-CE2 3.8Å; F613-F643 HydrophobicContact CE1-CD2 4.38Å; F613-F643 AromaticContact CE1-CE2 3.77Å; F613-F643 HydrophobicContact CE1-CE2 3.77Å; F613-F643 HydrophobicContact CE1-CZ 4.47Å; F613-L645 HydrophobicContact CD1-CD1 4.06Å; F613-L645 HydrophobicContact CD2-CD1 4.1Å; F613-L645 HydrophobicContact CE1-CD1 3.9Å; F613-L645 HydrophobicContact CE2-CD1 3.94Å; F613-L645 HydrophobicContact CG-CD1 4.17Å; F613-L645 HydrophobicContact CZ-CD1 3.85Å; F613-L670 HydrophobicContact CZ-CD1 4.21Å; F613-L670 HydrophobicContact CZ-CD2 4.38Å; F613-F674 AromaticContact CE1-CE2 3.95Å; F613-F674 HydrophobicContact CE1-CE2 3.95Å; F613-F674 AromaticContact CE1-CZ 3.8Å; F613-F674 HydrophobicContact CE1-CZ 3.8Å; F613-F674 HydrophobicContact CZ-CE2 4.18Å; F613-F674 AromaticContact CZ-CZ 3.77Å; F613-F674 HydrophobicContact CZ-CZ 3.77Å
614M95Very high92.7Very high0 Ų039.6 Ų39.60%021%0.211CC..EExtended strand (participates in β ladder)trans-138.7136.7-174.4-64172.849.400109.6W567 Y577 K579 Y616 T619 I644 E646W567-M614 WeakPolarHBondContact CH2-O 3.18Å; Y577-M614 HydrophobicContact CD2-CE 3.53Å; Y577-M614 HydrophobicContact CE2-CE 3.1Å; Y577-M614 HydrophobicContact CE2-SD 4.26Å; Y577-M614 HydrophobicContact CG-CE 4.44Å; K579-M614 HydrophobicContact CD-SD 4.38Å; K579-M614 HydrophobicContact CG-CG 4Å; K579-M614 HydrophobicContact CG-SD 4.3Å; M614-Y616 PolarHBondContact O-N 3.24Å; M614-T619 HydrophobicContact CE-CG2 3.57Å; M614-T619 WeakPolarHBondContact CE-OG1 3.4Å; M614-I644 HydrophobicContact CB-CB 3.99Å; M614-I644 HydrophobicContact CB-CG2 4.3Å; M614-I644 HydrophobicContact CE-CG2 4.35Å; M614-I644 PolarHBondContact N-O 3.29Å; M614-I644 PolarHBondContact O-N 3.41Å; M614-I644 HydrophobicContact SD-CG2 4.21Å; M614-E646 HydrophobicContact SD-CG 4.13Å
615S94.8Very high92.1Very high12 Ų1244.3 Ų44.38%0.08423%0.234CC..EExtended strand (participates in β ladder)trans-64.4129.5174.2173.70000109.9T619S615-T619 VanDerWaalsContact O-CB 3.23Å; S615-T619 WeakPolarHBondContact O-CB 3.38Å; S615-T619 PolarHBondContact O-N 3.45Å; S615-T619 VanDerWaalsContact O-N 3.08Å; S615-T619 PolarHBondContact O-OG1 3.2Å
616Y95.5Very high91.5Very high1 Ų143.3 Ų43.30%0.00423%0.231CC..Hα-helixtrans-60.9-54.7175.4177.6-88.9000110.6V529 M614 E618 T619 I620 F630 S634 E639 L642 I644V529-Y616 HydrophobicContact CG1-CD2 4.33Å; V529-Y616 HydrophobicContact CG1-CE2 4.23Å; M614-Y616 PolarHBondContact O-N 3.24Å; Y616-E618 PolarHBondContact O-N 3.1Å; Y616-T619 PolarHBondContact O-N 3.43Å; Y616-I620 HydrophobicContact CD1-CG1 4.11Å; Y616-I620 HydrophobicContact CD2-CG1 3.87Å; Y616-I620 HydrophobicContact CE1-CB 4.45Å; Y616-I620 HydrophobicContact CE1-CG1 3.91Å; Y616-I620 HydrophobicContact CE2-CD1 4.17Å; Y616-I620 HydrophobicContact CE2-CG1 3.69Å; Y616-I620 HydrophobicContact CG-CG1 4.08Å; Y616-I620 WeakPolarHBondContact O-CB 3.23Å; Y616-I620 VanDerWaalsContact O-CG1 3.24Å; Y616-I620 WeakPolarHBondContact O-CG1 3.33Å; Y616-I620 PolarHBondContact O-N 3.32Å; Y616-F630 PolarHBondContact OH-O 3.08Å; Y616-S634 PolarHBondContact OH-N 3.47Å; Y616-S634 PolarHBondContact OH-OG 3.18Å; Y616-E639 HydrophobicContact CE1-CG 4.34Å; Y616-L642 VanDerWaalsContact CB-O 3.26Å; Y616-L642 WeakPolarHBondContact CB-O 3.42Å; Y616-L642 HydrophobicContact CD1-CB 4.07Å; Y616-L642 HydrophobicContact CD1-CD1 4.19Å; Y616-L642 HydrophobicContact CD2-CB 3.88Å; Y616-L642 HydrophobicContact CD2-CD1 4.17Å; Y616-L642 HydrophobicContact CE1-CD1 3.97Å; Y616-L642 HydrophobicContact CE2-CB 4.46Å; Y616-L642 HydrophobicContact CE2-CD1 3.91Å; Y616-L642 HydrophobicContact CG-CB 3.65Å; Y616-L642 HydrophobicContact CG-CD1 4.3Å; Y616-I644 HydrophobicContact CD2-CD1 4.44Å; Y616-I644 HydrophobicContact CD2-CG1 4.27Å
617V93.1Very high91.2Very high75 Ų7540.8 Ų40.846%0.45522%0.221SC..Hα-helixtrans-52.9-54.6-177.9178.80000112T619 G621 E639V617-T619 PolarHBondContact O-N 2.92Å; V617-G621 PolarHBondContact O-N 3.24Å; V617-E639 HydrophobicContact CG2-CB 3.79Å
618E91.2Very high90.9Very high53 Ų5342.6 Ų42.625%0.24823%0.23CC..Hα-helixtrans-62.6-42.9179.3-63.8-168179.500113.4Y616 V622Y616-E618 PolarHBondContact O-N 3.1Å; E618-V622 WeakPolarHBondContact O-CG2 3.4Å
619T91.3Very high90.6Very high0 Ų045 Ų450%024%0.243CC..Hα-helixtrans-67-45.5-176.7-57.50000110.9Y577 M614 S615 Y616 V617 G621 V622 F627 I644Y577-T619 HydrophobicContact CD1-CG2 4.18Å; Y577-T619 HydrophobicContact CE1-CG2 4.13Å; Y577-T619 HydrophobicContact CG-CG2 4.46Å; M614-T619 HydrophobicContact CE-CG2 3.57Å; M614-T619 WeakPolarHBondContact CE-OG1 3.4Å; S615-T619 VanDerWaalsContact O-CB 3.23Å; S615-T619 WeakPolarHBondContact O-CB 3.38Å; S615-T619 PolarHBondContact O-N 3.45Å; S615-T619 VanDerWaalsContact O-N 3.08Å; S615-T619 PolarHBondContact O-OG1 3.2Å; Y616-T619 PolarHBondContact O-N 3.43Å; V617-T619 PolarHBondContact O-N 2.92Å; T619-G621 VanDerWaalsContact C-N 3.33Å; T619-V622 WeakPolarHBondContact O-CB 3.14Å; T619-V622 PolarHBondContact O-N 3.33Å; T619-F627 HydrophobicContact CG2-CD1 4.43Å; T619-F627 HydrophobicContact CG2-CD2 3.76Å; T619-F627 HydrophobicContact CG2-CE1 4.06Å; T619-F627 HydrophobicContact CG2-CE2 3.32Å; T619-F627 HydrophobicContact CG2-CG 4.32Å; T619-F627 HydrophobicContact CG2-CZ 3.5Å; T619-I644 HydrophobicContact CG2-CD1 3.58Å
620I91.1Very high90.6Very high19 Ų1941.5 Ų41.510%0.09723%0.229CC..Hα-helixtrans-70.6-31.2-178.8-64.4-53.6000111.9Y616 V622 F627 F630 K631 I644Y616-I620 HydrophobicContact CD1-CG1 4.11Å; Y616-I620 HydrophobicContact CD2-CG1 3.87Å; Y616-I620 HydrophobicContact CE1-CB 4.45Å; Y616-I620 HydrophobicContact CE1-CG1 3.91Å; Y616-I620 HydrophobicContact CE2-CD1 4.17Å; Y616-I620 HydrophobicContact CE2-CG1 3.69Å; Y616-I620 HydrophobicContact CG-CG1 4.08Å; Y616-I620 WeakPolarHBondContact O-CB 3.23Å; Y616-I620 VanDerWaalsContact O-CG1 3.24Å; Y616-I620 WeakPolarHBondContact O-CG1 3.33Å; Y616-I620 PolarHBondContact O-N 3.32Å; I620-V622 PolarHBondContact O-N 3.29Å; I620-F627 HydrophobicContact CD1-CB 3.8Å; I620-F627 HydrophobicContact CD1-CG 4.36Å; I620-F630 HydrophobicContact CD1-CB 3.67Å; I620-K631 HydrophobicContact CG2-CB 4.25Å; I620-K631 HydrophobicContact CG2-CD 4.34Å; I620-K631 HydrophobicContact CG2-CG 3.33Å; I620-I644 HydrophobicContact CD1-CD1 4.14Å; I620-I644 HydrophobicContact CG1-CD1 4.46Å
621G87.7Confident90.5Very high67 Ų6741 Ų4169%0.69122%0.224SC*.Hα-helixtrans-62.1-20.4171.900000113.4V617 T619 N623V617-G621 PolarHBondContact O-N 3.24Å; T619-G621 VanDerWaalsContact C-N 3.33Å; G621-N623 PolarHBondContact O-N 2.99Å
622V84.9Confident90.2Very high20 Ų2043.5 Ų43.512%0.12124%0.241CC..SBendtrans-81.7113.6170.7-170.50000108.7K576 Y577 E618 T619 I620 I624K576-V622 HydrophobicContact CB-CB 4.45Å; K576-V622 HydrophobicContact CB-CG1 3.81Å; K576-V622 HydrophobicContact CB-CG2 3.77Å; K576-V622 HydrophobicContact CD-CG1 3.37Å; K576-V622 HydrophobicContact CG-CG1 4.22Å; Y577-V622 HydrophobicContact CD1-CB 4.23Å; Y577-V622 HydrophobicContact CD1-CG2 3.73Å; E618-V622 WeakPolarHBondContact O-CG2 3.4Å; T619-V622 WeakPolarHBondContact O-CB 3.14Å; T619-V622 PolarHBondContact O-N 3.33Å; I620-V622 PolarHBondContact O-N 3.29Å; V622-I624 HydrophobicContact CB-CD1 4.09Å; V622-I624 HydrophobicContact CG1-CD1 3.46Å; V622-I624 VanDerWaalsContact CG1-CD1 3.46Å; V622-I624 HydrophobicContact CG1-CG1 3.79Å; V622-I624 PolarHBondContact O-N 3.07Å
623N79.5Confident90.2Very high139 Ų13945.8 Ų45.874%0.74325%0.249SC*.  trans-69.973.5-175.9-159.922.9000112.6G621 K631G621-N623 PolarHBondContact O-N 2.99Å; N623-K631 PolarHBondContact OD1-NZ 3.22Å
624I84.4Confident90.1Very high42 Ų4247.5 Ų47.522%0.21526%0.262CS..  trans-111.8126.5178.1-66.8159.1000108.4Y577 V622 E626 F627Y577-I624 HydrophobicContact CE1-CD1 4.03Å; V622-I624 HydrophobicContact CB-CD1 4.09Å; V622-I624 HydrophobicContact CG1-CD1 3.46Å; V622-I624 VanDerWaalsContact CG1-CD1 3.46Å; V622-I624 HydrophobicContact CG1-CG1 3.79Å; V622-I624 PolarHBondContact O-N 3.07Å; I624-E626 VanDerWaalsContact C-N 3.26Å; I624-E626 HydrophobicContact CG2-CB 4.13Å; I624-E626 HydrophobicContact CG2-CG 4.38Å; I624-E626 PolarHBondContact O-N 2.94Å; I624-F627 HydrophobicContact CB-CD2 3.85Å; I624-F627 HydrophobicContact CB-CE2 4.21Å; I624-F627 HydrophobicContact CD1-CD2 4.25Å; I624-F627 HydrophobicContact CD1-CE2 3.83Å; I624-F627 HydrophobicContact CG2-CD2 4.22Å; I624-F627 HydrophobicContact CG2-CE2 4.36Å; I624-F627 PolarHBondContact O-N 3.01Å
625F83.8Confident90.1Very high167 Ų16756 Ų5673%0.73230%0.298SS*.G310 helixtrans-55.5-35.3-176.2179.7-101.2000114.3F627 D628F625-F627 PolarHBondContact O-N 3.47Å; F625-F627 VanDerWaalsContact O-N 3.12Å; F625-D628 WeakPolarHBondContact CA-OD2 3.49Å; F625-D628 VanDerWaalsContact CD2-OD2 3.28Å; F625-D628 WeakPolarHBondContact CD2-OD2 3.47Å; F625-D628 WeakPolarHBondContact O-CB 3.47Å; F625-D628 PolarHBondContact O-N 3.49Å; F625-D628 VanDerWaalsContact O-N 3.07Å
626E82.1Confident90.1Very high88 Ų8861.6 Ų61.641%0.41133%0.327SS..G310 helixtrans-57.8-28.8178.7-64.3-175.5-173.800113.4R439 R527 I624R439-E626 PolarHBondContact NH2-O 3.16Å; R527-E626 IonicContact CZ-OE2 3.97Å; R527-E626 IonicContact NH1-OE2 3.51Å; R527-E626 PolarHBondContact NH1-OE2 3.35Å; R527-E626 IonicContact NH2-OE2 2.72Å; I624-E626 VanDerWaalsContact C-N 3.26Å; I624-E626 HydrophobicContact CG2-CB 4.13Å; I624-E626 HydrophobicContact CG2-CG 4.38Å; I624-E626 PolarHBondContact O-N 2.94Å
627F90Very high90.1Very high1 Ų164.6 Ų64.60%0.00434%0.339CS..G310 helixtrans-93.4-1.3-178.6-58.3-40.1000113.8Y577 T619 I620 I624 F625 D629 F630 K631Y577-F627 AromaticContact CE1-CE2 3.97Å; Y577-F627 HydrophobicContact CE1-CE2 3.97Å; Y577-F627 HydrophobicContact CE1-CZ 4.47Å; T619-F627 HydrophobicContact CG2-CD1 4.43Å; T619-F627 HydrophobicContact CG2-CD2 3.76Å; T619-F627 HydrophobicContact CG2-CE1 4.06Å; T619-F627 HydrophobicContact CG2-CE2 3.32Å; T619-F627 HydrophobicContact CG2-CG 4.32Å; T619-F627 HydrophobicContact CG2-CZ 3.5Å; I620-F627 HydrophobicContact CD1-CB 3.8Å; I620-F627 HydrophobicContact CD1-CG 4.36Å; I624-F627 HydrophobicContact CB-CD2 3.85Å; I624-F627 HydrophobicContact CB-CE2 4.21Å; I624-F627 HydrophobicContact CD1-CD2 4.25Å; I624-F627 HydrophobicContact CD1-CE2 3.83Å; I624-F627 HydrophobicContact CG2-CD2 4.22Å; I624-F627 HydrophobicContact CG2-CE2 4.36Å; I624-F627 PolarHBondContact O-N 3.01Å; F625-F627 PolarHBondContact O-N 3.47Å; F625-F627 VanDerWaalsContact O-N 3.12Å; F627-D629 VanDerWaalsContact C-N 3.27Å; F627-D629 PolarHBondContact O-N 2.65Å; F627-F630 HydrophobicContact CD1-CD2 4.08Å; F627-F630 HydrophobicContact CD1-CE2 4.44Å; F627-F630 WeakPolarHBondContact O-CA 3.44Å; F627-F630 WeakPolarHBondContact O-CB 3.49Å; F627-F630 PolarHBondContact O-N 3.2Å; F627-K631 PolarHBondContact O-N 3.43Å; F627-K631 VanDerWaalsContact O-N 3.08Å
628D89.8Confident90.2Very high62 Ų6264 Ų6433%0.33234%0.336SS..THydrogen-bonded Turntrans-61.3-36.9-177.1-75.4-18.5000112.7F625 F630 K631F625-D628 WeakPolarHBondContact CA-OD2 3.49Å; F625-D628 VanDerWaalsContact CD2-OD2 3.28Å; F625-D628 WeakPolarHBondContact CD2-OD2 3.47Å; F625-D628 WeakPolarHBondContact O-CB 3.47Å; F625-D628 PolarHBondContact O-N 3.49Å; F625-D628 VanDerWaalsContact O-N 3.07Å; D628-F630 VanDerWaalsContact C-N 3.29Å; D628-F630 PolarHBondContact O-N 3.22Å; D628-K631 WeakPolarHBondContact O-CB 3.41Å; D628-K631 PolarHBondContact O-N 3.16Å; D628-K631 WeakPolarHBondContact OD1-CE 3.48Å; D628-K631 IonicContact OD1-NZ 3.13Å; D628-K631 PolarHBondContact OD1-NZ 3.03Å
629D90.1Very high90.4Very high50 Ų5065.6 Ų65.627%0.26734%0.343SS..THydrogen-bonded Turntrans-64.3-36172.9175.987.4000111.7R389 R439 F627 S632R389-D629 IonicContact CZ-OD2 2.72Å; R389-D629 IonicContact NE-OD1 2.8Å; R389-D629 PolarHBondContact NE-OD1 3.46Å; R389-D629 IonicContact NE-OD2 3.87Å; R389-D629 PolarHBondContact NE-OD2 3.11Å; R389-D629 IonicContact NH2-OD2 2.86Å; R389-D629 PolarHBondContact NH2-OD2 3.2Å; R439-D629 IonicContact CZ-OD2 3.26Å; F627-D629 VanDerWaalsContact C-N 3.27Å; F627-D629 PolarHBondContact O-N 2.65Å; D629-S632 PolarHBondContact O-N 2.8Å; D629-S632 PolarHBondContact O-OG 3.15Å
630F94.6Very high90.6Very high0 Ų070.7 Ų70.70%037%0.371CS..G310 helixtrans-70.8-33.5-179.1-702.8000112.3R527 V529 Y616 I620 F627 D628 S632 W633 I644 A682 D684R527-F630 HydrophobicContact CG-CE2 3.94Å; R527-F630 HydrophobicContact CG-CZ 4.27Å; V529-F630 HydrophobicContact CG2-CB 3.76Å; V529-F630 HydrophobicContact CG2-CD1 3.53Å; V529-F630 HydrophobicContact CG2-CD2 3.34Å; V529-F630 HydrophobicContact CG2-CE1 3.85Å; V529-F630 HydrophobicContact CG2-CE2 3.66Å; V529-F630 HydrophobicContact CG2-CG 3.26Å; V529-F630 HydrophobicContact CG2-CZ 3.91Å; Y616-F630 PolarHBondContact OH-O 3.08Å; I620-F630 HydrophobicContact CD1-CB 3.67Å; F627-F630 HydrophobicContact CD1-CD2 4.08Å; F627-F630 HydrophobicContact CD1-CE2 4.44Å; F627-F630 WeakPolarHBondContact O-CA 3.44Å; F627-F630 WeakPolarHBondContact O-CB 3.49Å; F627-F630 PolarHBondContact O-N 3.2Å; D628-F630 VanDerWaalsContact C-N 3.29Å; D628-F630 PolarHBondContact O-N 3.22Å; F630-S632 PolarHBondContact O-N 3.05Å; F630-W633 PolarHBondContact O-N 3.4Å; F630-W633 VanDerWaalsContact O-N 3.07Å; F630-I644 HydrophobicContact CD2-CD1 4.11Å; F630-I644 HydrophobicContact CD2-CG1 4.43Å; F630-A682 HydrophobicContact CD1-CB 4.35Å; F630-A682 HydrophobicContact CE1-CB 4.06Å; F630-D684 WeakPolarHBondContact CE1-OD2 3.27Å; F630-D684 VanDerWaalsContact CZ-OD2 3.27Å; F630-D684 WeakPolarHBondContact CZ-OD2 3.23Å
631K92.6Very high90.8Very high61 Ų6171.5 Ų71.527%0.26537%0.374SS..G310 helixtrans-50.5-29.6176.5-75.4171.5-174.5169.20113.4I620 N623 F627 D628 W633 S634I620-K631 HydrophobicContact CG2-CB 4.25Å; I620-K631 HydrophobicContact CG2-CD 4.34Å; I620-K631 HydrophobicContact CG2-CG 3.33Å; N623-K631 PolarHBondContact OD1-NZ 3.22Å; F627-K631 PolarHBondContact O-N 3.43Å; F627-K631 VanDerWaalsContact O-N 3.08Å; D628-K631 WeakPolarHBondContact O-CB 3.41Å; D628-K631 PolarHBondContact O-N 3.16Å; D628-K631 WeakPolarHBondContact OD1-CE 3.48Å; D628-K631 IonicContact OD1-NZ 3.13Å; D628-K631 PolarHBondContact OD1-NZ 3.03Å; K631-W633 PolarHBondContact O-N 3.28Å; K631-S634 PolarHBondContact O-OG 3.33Å
632S91.9Very high91.3Very high53 Ų5368.6 Ų68.637%0.37134%0.343SS..G310 helixtrans-67.9-22.7-176.768.10000113.8D629 F630 S634 K635D629-S632 PolarHBondContact O-N 2.8Å; D629-S632 PolarHBondContact O-OG 3.15Å; F630-S632 PolarHBondContact O-N 3.05Å; S632-S634 PolarHBondContact O-N 3.44Å; S632-K635 WeakPolarHBondContact O-CB 3.41Å; S632-K635 PolarHBondContact O-N 2.88Å
633W94.7Very high91.9Very high51 Ų5167.7 Ų67.719%0.19334%0.337CS..G310 helixtrans-73.2-26.8-174.6-70105.2000113.8V529 F630 K631 K635 L636 Y637 L642 L681 A682V529-W633 HydrophobicContact CG1-CB 4.4Å; V529-W633 HydrophobicContact CG1-CG 4.37Å; F630-W633 PolarHBondContact O-N 3.4Å; F630-W633 VanDerWaalsContact O-N 3.07Å; K631-W633 PolarHBondContact O-N 3.28Å; W633-K635 PolarHBondContact O-N 2.93Å; W633-K635 VanDerWaalsContact O-N 3.15Å; W633-L636 HydrophobicContact CE3-CD1 4.26Å; W633-L636 HydrophobicContact CZ3-CD1 4.27Å; W633-L636 PolarHBondContact O-N 2.85Å; W633-Y637 AromaticContact CE3-CD2 4Å; W633-Y637 HydrophobicContact CE3-CD2 4Å; W633-Y637 AromaticContact CE3-CE2 3.76Å; W633-Y637 HydrophobicContact CE3-CE2 3.76Å; W633-Y637 AromaticContact CZ3-CE2 3.91Å; W633-Y637 HydrophobicContact CZ3-CE2 3.91Å; W633-Y637 PolarHBondContact O-N 3.42Å; W633-L642 HydrophobicContact CB-CD1 4.25Å; W633-L681 HydrophobicContact CB-CD1 4.5Å; W633-L681 HydrophobicContact CD2-CB 3.9Å; W633-L681 HydrophobicContact CD2-CD1 4.12Å; W633-L681 HydrophobicContact CE3-CB 3.9Å; W633-L681 HydrophobicContact CE3-CD1 3.78Å; W633-L681 HydrophobicContact CE3-CG 4.32Å; W633-L681 HydrophobicContact CG-CD1 4.44Å; W633-L681 HydrophobicContact CH2-CB 4Å; W633-L681 WeakPolarHBondContact CH2-O 3.47Å; W633-L681 HydrophobicContact CZ2-CB 4.03Å; W633-L681 WeakPolarHBondContact CZ2-O 3.31Å; W633-L681 HydrophobicContact CZ3-CB 3.95Å; W633-L681 HydrophobicContact CZ3-CD1 4.34Å; W633-L681 HydrophobicContact CZ3-CD2 4.36Å; W633-L681 HydrophobicContact CZ3-CG 4.46Å; W633-A682 HydrophobicContact CZ2-CB 4.14Å
634S93.6Very high92.8Very high37 Ų3761 Ų6126%0.25930%0.302SS..G310 helixtrans-69.6-6.6174.155.20000114.3Y616 K631 S632 L636 Y637 E639Y616-S634 PolarHBondContact OH-N 3.47Å; Y616-S634 PolarHBondContact OH-OG 3.18Å; K631-S634 PolarHBondContact O-OG 3.33Å; S632-S634 PolarHBondContact O-N 3.44Å; S634-L636 VanDerWaalsContact C-N 3.35Å; S634-Y637 WeakPolarHBondContact CA-O 3.21Å; S634-E639 VanDerWaalsContact CB-CG 3.48Å; S634-E639 VanDerWaalsContact CB-OE1 3.25Å; S634-E639 WeakPolarHBondContact CB-OE1 3.37Å; S634-E639 PolarHBondContact OG-OE1 3.26Å
635K94.7Very high93.4Very high178 Ų17859 Ų5977%0.77429%0.291SS*.G310 helixtrans-80.1-18.4169-58.9-178.8-1801800113S632 W633S632-K635 WeakPolarHBondContact O-CB 3.41Å; S632-K635 PolarHBondContact O-N 2.88Å; W633-K635 PolarHBondContact O-N 2.93Å; W633-K635 VanDerWaalsContact O-N 3.15Å
636L95.1Very high94.1Very high129 Ų12952.3 Ų52.368%0.67526%0.262SS*.THydrogen-bonded Turntrans-115.1-28.3-173.7-62.2178.3000112.6W633 S634W633-L636 HydrophobicContact CE3-CD1 4.26Å; W633-L636 HydrophobicContact CZ3-CD1 4.27Å; W633-L636 PolarHBondContact O-N 2.85Å; S634-L636 VanDerWaalsContact C-N 3.35Å
637Y96.3Very high94.8Very high65 Ų6548.3 Ų48.326%0.25524%0.243SC..SBendtrans-128.5144.1-177.8-63.5-90.3000110.4W531 W633 S634 E639 L642 L681W531-Y637 AromaticContact CD1-CD1 3.6Å; W531-Y637 AromaticContact CD2-CD1 3.85Å; W531-Y637 HydrophobicContact CD2-CD1 3.85Å; W531-Y637 AromaticContact CD2-CE1 3.7Å; W531-Y637 HydrophobicContact CD2-CE1 3.7Å; W531-Y637 AromaticContact CE2-CD1 3.53Å; W531-Y637 AromaticContact CE2-CE1 3.62Å; W531-Y637 HydrophobicContact CE3-CE1 4.09Å; W531-Y637 AromaticContact CG-CD1 3.87Å; W531-Y637 HydrophobicContact CG-CD1 3.87Å; W531-Y637 HydrophobicContact CG-CE1 4.09Å; W531-Y637 HydrophobicContact CH2-CE1 4.28Å; W531-Y637 HydrophobicContact CZ2-CD1 4.08Å; W531-Y637 AromaticContact CZ2-CE1 3.9Å; W531-Y637 HydrophobicContact CZ2-CE1 3.9Å; W531-Y637 HydrophobicContact CZ3-CE1 4.37Å; W531-Y637 AromaticContact NE1-CD1 3.42Å; W633-Y637 AromaticContact CE3-CD2 4Å; W633-Y637 HydrophobicContact CE3-CD2 4Å; W633-Y637 AromaticContact CE3-CE2 3.76Å; W633-Y637 HydrophobicContact CE3-CE2 3.76Å; W633-Y637 AromaticContact CZ3-CE2 3.91Å; W633-Y637 HydrophobicContact CZ3-CE2 3.91Å; W633-Y637 PolarHBondContact O-N 3.42Å; S634-Y637 WeakPolarHBondContact CA-O 3.21Å; Y637-E639 PolarHBondContact O-N 3.41Å; Y637-L642 HydrophobicContact CG-CD2 4.39Å; Y637-L681 HydrophobicContact CD1-CD1 4.45Å; Y637-L681 HydrophobicContact CD2-CD1 3.48Å; Y637-L681 VanDerWaalsContact CD2-CD1 3.48Å; Y637-L681 HydrophobicContact CD2-CD2 4.49Å; Y637-L681 HydrophobicContact CE1-CD2 4.24Å; Y637-L681 HydrophobicContact CE2-CD1 3.58Å; Y637-L681 HydrophobicContact CE2-CD2 3.77Å; Y637-L681 HydrophobicContact CE2-CG 4.32Å; Y637-L681 HydrophobicContact CG-CD1 3.95Å
638P96Very high95.2Very high61 Ų6152.3 Ų52.340%0.39626%0.259SS..  trans-56.5135.8173.1-22.633.6000111.6D640 E641 L642P638-D640 VanDerWaalsContact C-N 3.26Å; P638-D640 WeakPolarHBondContact CB-OD1 3.44Å; P638-D640 PolarHBondContact O-N 2.87Å; P638-E641 HydrophobicContact CB-CB 4.39Å; P638-E641 HydrophobicContact CB-CG 4.05Å; P638-E641 WeakPolarHBondContact CD-OE2 3.46Å; P638-E641 HydrophobicContact CG-CG 4.27Å; P638-E641 WeakPolarHBondContact O-CB 3.48Å; P638-E641 PolarHBondContact O-N 3.41Å; P638-L642 WeakPolarHBondContact O-CG 3.29Å
639E94.5Very high95.5Very high87 Ų8749.4 Ų49.441%0.40724%0.243SC..G310 helixtrans-64.9-29.9-174-65.4-168.3156.700113.7Y616 V617 S634 Y637 E641 L642Y616-E639 HydrophobicContact CE1-CG 4.34Å; V617-E639 HydrophobicContact CG2-CB 3.79Å; S634-E639 VanDerWaalsContact CB-CG 3.48Å; S634-E639 VanDerWaalsContact CB-OE1 3.25Å; S634-E639 WeakPolarHBondContact CB-OE1 3.37Å; S634-E639 PolarHBondContact OG-OE1 3.26Å; Y637-E639 PolarHBondContact O-N 3.41Å; E639-E641 VanDerWaalsContact C-N 3.28Å; E639-L642 PolarHBondContact O-N 2.86Å
640D94.5Very high95.7Very high107 Ų10749.4 Ų49.457%0.57224%0.241SC*.G310 helixtrans-71.6-21.2175.860.6-52.2000112.8G536 P638 L642G536-D640 WeakPolarHBondContact CA-O 3.42Å; P638-D640 VanDerWaalsContact C-N 3.26Å; P638-D640 WeakPolarHBondContact CB-OD1 3.44Å; P638-D640 PolarHBondContact O-N 2.87Å; D640-L642 VanDerWaalsContact C-N 3.31Å
641E97Very high95.5Very high37 Ų3749.9 Ų49.917%0.17325%0.246CC..G310 helixtrans-85.1-4.9172.5-64.8-179.3-17800113.1W531 C532 P638 E639W531-E641 WeakPolarHBondContact CA-O 3.39Å; W531-E641 PolarHBondContact NE1-OE2 3.08Å; C532-E641 PolarHBondContact N-O 3.22Å; C532-E641 WeakPolarHBondContact O-CB 3.38Å; P638-E641 HydrophobicContact CB-CB 4.39Å; P638-E641 HydrophobicContact CB-CG 4.05Å; P638-E641 WeakPolarHBondContact CD-OE2 3.46Å; P638-E641 HydrophobicContact CG-CG 4.27Å; P638-E641 WeakPolarHBondContact O-CB 3.48Å; P638-E641 PolarHBondContact O-N 3.41Å; E639-E641 VanDerWaalsContact C-N 3.28Å
642L97.7Very high95.4Very high6 Ų648.8 Ų48.83%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-105.7141.1-176.6-62.2179.4000112V529 C530 W531 Y616 W633 Y637 P638 E639 D640 L681V529-L642 HydrophobicContact CG1-CD2 4.3Å; C530-L642 WeakPolarHBondContact O-CA 3.2Å; W531-L642 HydrophobicContact CB-CD2 4.11Å; W531-L642 HydrophobicContact CG-CD2 4.48Å; Y616-L642 VanDerWaalsContact CB-O 3.26Å; Y616-L642 WeakPolarHBondContact CB-O 3.42Å; Y616-L642 HydrophobicContact CD1-CB 4.07Å; Y616-L642 HydrophobicContact CD1-CD1 4.19Å; Y616-L642 HydrophobicContact CD2-CB 3.88Å; Y616-L642 HydrophobicContact CD2-CD1 4.17Å; Y616-L642 HydrophobicContact CE1-CD1 3.97Å; Y616-L642 HydrophobicContact CE2-CB 4.46Å; Y616-L642 HydrophobicContact CE2-CD1 3.91Å; Y616-L642 HydrophobicContact CG-CB 3.65Å; Y616-L642 HydrophobicContact CG-CD1 4.3Å; W633-L642 HydrophobicContact CB-CD1 4.25Å; Y637-L642 HydrophobicContact CG-CD2 4.39Å; P638-L642 WeakPolarHBondContact O-CG 3.29Å; E639-L642 PolarHBondContact O-N 2.86Å; D640-L642 VanDerWaalsContact C-N 3.31Å; L642-L681 HydrophobicContact CD2-CD1 3.64Å
643F97.3Very high95.5Very high0 Ų046.6 Ų46.60%024%0.236CC..EExtended strand (participates in β ladder)trans-144.2161.5168.769.3-81.2000110.7C530 C532 I537 W567 F613 L645 L678C530-F643 HydrophobicContact CB-CD1 3.84Å; C530-F643 HydrophobicContact CB-CD2 4.02Å; C530-F643 HydrophobicContact CB-CE1 3.33Å; C530-F643 HydrophobicContact CB-CE2 3.54Å; C530-F643 HydrophobicContact CB-CG 4.16Å; C530-F643 HydrophobicContact CB-CZ 3.16Å; C530-F643 PolarHBondContact N-O 3.39Å; C530-F643 PolarHBondContact O-N 3.44Å; C532-F643 HydrophobicContact CB-CE1 4.22Å; I537-F643 HydrophobicContact CD1-CD1 3.71Å; I537-F643 HydrophobicContact CD1-CD2 3.59Å; I537-F643 HydrophobicContact CD1-CE1 3.59Å; I537-F643 HydrophobicContact CD1-CE2 3.46Å; I537-F643 VanDerWaalsContact CD1-CE2 3.46Å; I537-F643 HydrophobicContact CD1-CG 3.71Å; I537-F643 HydrophobicContact CD1-CZ 3.45Å; I537-F643 VanDerWaalsContact CD1-CZ 3.45Å; I537-F643 HydrophobicContact CG1-CD1 3.8Å; I537-F643 HydrophobicContact CG1-CE1 3.85Å; I537-F643 HydrophobicContact CG1-CG 4.14Å; I537-F643 HydrophobicContact CG1-CZ 4.23Å; W567-F643 HydrophobicContact CH2-CB 3.93Å; W567-F643 HydrophobicContact CZ2-CB 3.89Å; F613-F643 AromaticContact CD1-CD2 3.94Å; F613-F643 HydrophobicContact CD1-CD2 3.94Å; F613-F643 AromaticContact CD1-CE2 3.8Å; F613-F643 HydrophobicContact CD1-CE2 3.8Å; F613-F643 HydrophobicContact CE1-CD2 4.38Å; F613-F643 AromaticContact CE1-CE2 3.77Å; F613-F643 HydrophobicContact CE1-CE2 3.77Å; F613-F643 HydrophobicContact CE1-CZ 4.47Å; F643-L645 HydrophobicContact CD2-CB 4.43Å; F643-L645 HydrophobicContact CE2-CB 4.04Å; F643-L678 HydrophobicContact CE1-CD2 4.12Å; F643-L678 HydrophobicContact CZ-CD2 3.73Å
644I97.3Very high95.6Very high0 Ų046.3 Ų46.30%024%0.235CC..EExtended strand (participates in β ladder)trans-105135.1175.6-67170.1000108.9R527 A528 M614 Y616 T619 I620 F630R527-I644 HydrophobicContact CG-CG2 3.9Å; A528-I644 WeakPolarHBondContact O-CA 3.13Å; M614-I644 HydrophobicContact CB-CB 3.99Å; M614-I644 HydrophobicContact CB-CG2 4.3Å; M614-I644 HydrophobicContact CE-CG2 4.35Å; M614-I644 PolarHBondContact N-O 3.29Å; M614-I644 PolarHBondContact O-N 3.41Å; M614-I644 HydrophobicContact SD-CG2 4.21Å; Y616-I644 HydrophobicContact CD2-CD1 4.44Å; Y616-I644 HydrophobicContact CD2-CG1 4.27Å; T619-I644 HydrophobicContact CG2-CD1 3.58Å; I620-I644 HydrophobicContact CD1-CD1 4.14Å; I620-I644 HydrophobicContact CG1-CD1 4.46Å; F630-I644 HydrophobicContact CD2-CD1 4.11Å; F630-I644 HydrophobicContact CD2-CG1 4.43Å
645L98.1Very high95.7Very high0 Ų044.9 Ų44.90%023%0.225CC..EExtended strand (participates in β ladder)trans-122.9119178.9-177.265000110.1R527 A528 L611 C612 F613 F643 I647 V659 L670R527-L645 CarbonylContact C-O 3.49Å; R527-L645 WeakPolarHBondContact CA-O 3.08Å; A528-L645 PolarHBondContact N-O 3.43Å; A528-L645 PolarHBondContact O-N 2.84Å; L611-L645 HydrophobicContact CB-CD1 4.43Å; L611-L645 HydrophobicContact CD2-CD1 4.17Å; L611-L645 HydrophobicContact CD2-CD2 4.46Å; C612-L645 WeakPolarHBondContact O-CA 3.26Å; F613-L645 HydrophobicContact CD1-CD1 4.06Å; F613-L645 HydrophobicContact CD2-CD1 4.1Å; F613-L645 HydrophobicContact CE1-CD1 3.9Å; F613-L645 HydrophobicContact CE2-CD1 3.94Å; F613-L645 HydrophobicContact CG-CD1 4.17Å; F613-L645 HydrophobicContact CZ-CD1 3.85Å; F643-L645 HydrophobicContact CD2-CB 4.43Å; F643-L645 HydrophobicContact CE2-CB 4.04Å; L645-I647 HydrophobicContact CD2-CD1 3.71Å; L645-I647 HydrophobicContact CD2-CG1 3.85Å; L645-I647 HydrophobicContact CG-CD1 4.07Å; L645-I647 HydrophobicContact CG-CG1 3.7Å; L645-V659 HydrophobicContact CD2-CG2 3.94Å; L645-L670 HydrophobicContact CD2-CD1 3.46Å; L645-L670 VanDerWaalsContact CD2-CD1 3.46Å
646E97.7Very high95.9Very high26 Ų2638.1 Ų38.112%0.12120%0.195CC..EExtended strand (participates in β ladder)trans-96136.3166.1-70.3-176.3153.700109.8Y526 R527 K579 L611 C612 M614 I686Y526-E646 CarbonylContact O-C 3.44Å; Y526-E646 VanDerWaalsContact O-CA 3.24Å; Y526-E646 WeakPolarHBondContact O-CA 3.31Å; R527-E646 HydrophobicContact CB-CG 4.16Å; R527-E646 HydrophobicContact CG-CG 3.87Å; R527-E646 IonicContact CZ-OE1 2.75Å; R527-E646 VanDerWaalsContact CZ-OE1 3.26Å; R527-E646 IonicContact NE-OE1 3.21Å; R527-E646 PolarHBondContact NE-OE1 3.43Å; R527-E646 IonicContact NH2-OE1 3.4Å; R527-E646 PolarHBondContact NH2-OE1 3.35Å; K579-E646 IonicContact NZ-OE2 3.71Å; K579-E646 PolarHBondContact NZ-OE2 3.47Å; L611-E646 CarbonylContact C-O 2.86Å; L611-E646 WeakPolarHBondContact CA-O 3.46Å; C612-E646 HydrophobicContact CB-CB 3.94Å; C612-E646 PolarHBondContact N-O 3.42Å; C612-E646 PolarHBondContact O-N 2.94Å; M614-E646 HydrophobicContact SD-CG 4.13Å; E646-I686 HydrophobicContact CG-CD1 4.39Å
647I98.1Very high96Very high3 Ų332.1 Ų32.12%0.01516%0.164CC..EExtended strand (participates in β ladder)trans-133.4124.7-172.7-49.8167.7000108.5C525 Y526 I608 N610 L611 L645 C649 V655 L658C525-I647 CarbonylContact C-O 3.54Å; C525-I647 VanDerWaalsContact CA-O 3.23Å; C525-I647 WeakPolarHBondContact CA-O 3.34Å; Y526-I647 PolarHBondContact N-O 3.18Å; Y526-I647 PolarHBondContact O-N 2.88Å; I608-I647 HydrophobicContact CG2-CG2 4Å; N610-I647 WeakPolarHBondContact O-CA 3.28Å; L611-I647 HydrophobicContact CD2-CB 4.31Å; L611-I647 HydrophobicContact CD2-CG1 3.86Å; L611-I647 HydrophobicContact CD2-CG2 3.96Å; L645-I647 HydrophobicContact CD2-CD1 3.71Å; L645-I647 HydrophobicContact CD2-CG1 3.85Å; L645-I647 HydrophobicContact CG-CD1 4.07Å; L645-I647 HydrophobicContact CG-CG1 3.7Å; I647-C649 HydrophobicContact CG2-CB 4.2Å; I647-V655 HydrophobicContact CD1-CG1 3.49Å; I647-V655 VanDerWaalsContact CD1-CG1 3.49Å; I647-L658 HydrophobicContact CD1-CD2 4.27Å; I647-L658 HydrophobicContact CG2-CD2 4.06Å
648R97.6Very high96Very high86 Ų8629 Ų2933%0.32515%0.152SC..EExtended strand (participates in β ladder)trans-109.5118.4167.7-175.3-179.4178.8-117.9-1.4108.4A523 K524 Y609 N610 E689A523-R648 HydrophobicContact CB-CG 4.47Å; K524-R648 WeakPolarHBondContact O-CA 3.27Å; Y609-R648 WeakPolarHBondContact CA-O 3.17Å; Y609-R648 WeakPolarHBondContact CB-O 3.48Å; Y609-R648 HydrophobicContact CD2-CG 4.15Å; Y609-R648 PolarHBondContact N-O 2.67Å; N610-R648 HydrophobicContact CB-CB 4.22Å; N610-R648 PolarHBondContact N-O 3.16Å; N610-R648 VanDerWaalsContact N-O 3.13Å; N610-R648 PolarHBondContact O-N 3.27Å; R648-E689 IonicContact CZ-OE1 3.53Å; R648-E689 IonicContact CZ-OE2 3.44Å; R648-E689 IonicContact NE-OE1 2.74Å; R648-E689 PolarHBondContact NE-OE1 3.34Å; R648-E689 IonicContact NE-OE2 3.16Å; R648-E689 PolarHBondContact NE-OE2 3.17Å; R648-E689 IonicContact NH2-OE1 3.46Å; R648-E689 IonicContact NH2-OE2 2.7Å; R648-E689 PolarHBondContact NH2-OE2 3.2Å
649C96.3Very high96.2Very high0 Ų026.1 Ų26.10%013%0.133CC..EExtended strand (participates in β ladder)trans-145.8167.8-174.360.70000113.2A523 K524 I608 I647 T653A523-C649 CarbonylContact C-O 3.5Å; A523-C649 WeakPolarHBondContact CA-O 3.47Å; K524-C649 PolarHBondContact N-O 3.18Å; K524-C649 PolarHBondContact O-N 2.84Å; I608-C649 HydrophobicContact CD1-CB 3.49Å; I608-C649 VanDerWaalsContact CD1-CB 3.49Å; I608-C649 HydrophobicContact CG2-CB 4.49Å; I647-C649 HydrophobicContact CG2-CB 4.2Å; C649-T653 HydrophobicContact CB-CG2 4.19Å
650E94.5Very high96.3Very high50 Ų5024.7 Ų24.723%0.23413%0.126CC..EExtended strand (participates in β ladder)trans-59.3149.9172.2-76.4177.9176.600113.1R606 T607 Y609 G652 T653R606-E650 WeakPolarHBondContact CA-OE2 3.43Å; T607-E650 VanDerWaalsContact CB-OE1 3.26Å; T607-E650 WeakPolarHBondContact CB-OE1 3.41Å; T607-E650 VanDerWaalsContact N-CD 3.28Å; T607-E650 PolarHBondContact N-OE2 3.24Å; T607-E650 PolarHBondContact O-N 2.93Å; T607-E650 PolarHBondContact OG1-OE1 3.28Å; Y609-E650 HydrophobicContact CE2-CG 3.97Å; Y609-E650 WeakPolarHBondContact OH-CG 3.46Å; E650-G652 PolarHBondContact O-N 3.14Å; E650-T653 WeakPolarHBondContact O-CB 3.46Å; E650-T653 PolarHBondContact O-N 2.96Å; E650-T653 PolarHBondContact O-OG1 2.98Å
651A90Very high96.4Very high11 Ų1119.7 Ų19.79%0.09110%0.1CC..THydrogen-bonded Turntrans-55.4136.6171.500000112.1K522 T653K522-A651 HydrophobicContact CG-CB 4.11Å; K522-A651 VanDerWaalsContact O-CB 3.29Å; K522-A651 WeakPolarHBondContact O-CB 3.29Å; K522-A651 PolarHBondContact O-N 3.48Å; A651-T653 VanDerWaalsContact C-N 3.31Å
652G90.3Very high96.4Very high37 Ų3718.7 Ų18.738%0.38110%0.096SC..THydrogen-bonded Turntrans81.38.4178.500000114.4E650E650-G652 PolarHBondContact O-N 3.14Å
653T94.9Very high96.3Very high8 Ų826.1 Ų26.15%0.04913%0.134CC..  trans-64.4128.9165.2-58.10000110.4I587 I608 C649 E650 A651 V655I587-T653 HydrophobicContact CD1-CG2 4.19Å; I608-T653 HydrophobicContact CD1-CG2 3.66Å; C649-T653 HydrophobicContact CB-CG2 4.19Å; E650-T653 WeakPolarHBondContact O-CB 3.46Å; E650-T653 PolarHBondContact O-N 2.96Å; E650-T653 PolarHBondContact O-OG1 2.98Å; A651-T653 VanDerWaalsContact C-N 3.31Å; T653-V655 HydrophobicContact CG2-CG2 4.48Å; T653-V655 PolarHBondContact O-N 3.38Å
654Y95.7Very high96.2Very high45 Ų4529.1 Ų29.118%0.17617%0.165CC..  trans-83.291174.7-71.3-65.1000109.3Q589 P592 V595 E657 L658Q589-Y654 HydrophobicContact CB-CD2 4.49Å; Q589-Y654 PolarHBondContact NE2-O 3Å; P592-Y654 VanDerWaalsContact CD-CD2 3.42Å; P592-Y654 HydrophobicContact CG-CD1 3.62Å; P592-Y654 HydrophobicContact CG-CD2 3.6Å; P592-Y654 HydrophobicContact CG-CE1 3.98Å; P592-Y654 HydrophobicContact CG-CE2 3.96Å; P592-Y654 HydrophobicContact CG-CG 3.42Å; P592-Y654 VanDerWaalsContact CG-CG 3.42Å; V595-Y654 HydrophobicContact CG2-CE1 4.38Å; Y654-E657 VanDerWaalsContact CB-OE2 3.29Å; Y654-E657 WeakPolarHBondContact CB-OE2 3.21Å; Y654-E657 PolarHBondContact O-N 3.15Å; Y654-L658 PolarHBondContact O-N 3.22Å
655V97.3Very high96.2Very high7 Ų731.5 Ų31.54%0.04217%0.174CC..Hα-helixtrans-67.4-38.1-168.1172.90000113.5Y526 I647 T653 E657 L658 V659 I680 L683Y526-V655 HydrophobicContact CD1-CG2 4.14Å; Y526-V655 HydrophobicContact CD2-CG2 3.67Å; Y526-V655 HydrophobicContact CE1-CG2 4.03Å; Y526-V655 HydrophobicContact CE2-CG2 3.57Å; Y526-V655 HydrophobicContact CG-CG1 4.47Å; Y526-V655 HydrophobicContact CG-CG2 3.95Å; I647-V655 HydrophobicContact CD1-CG1 3.49Å; I647-V655 VanDerWaalsContact CD1-CG1 3.49Å; T653-V655 HydrophobicContact CG2-CG2 4.48Å; T653-V655 PolarHBondContact O-N 3.38Å; V655-E657 VanDerWaalsContact C-N 3.26Å; V655-E657 PolarHBondContact O-N 3.03Å; V655-L658 WeakPolarHBondContact O-CB 3.19Å; V655-L658 PolarHBondContact O-N 3.05Å; V655-V659 PolarHBondContact O-N 2.83Å; V655-I680 HydrophobicContact CG1-CD1 4Å; V655-L683 HydrophobicContact CB-CD2 4.37Å; V655-L683 HydrophobicContact CG1-CD1 3.87Å; V655-L683 HydrophobicContact CG1-CD2 4.27Å
656K97Very high96.2Very high35 Ų3531.7 Ų31.715%0.15218%0.175CC..Hα-helixtrans-59.5-46.9176.1-66.3179.6173.5179.50109.2D435 D437 L658 V659 H660 I680D435-K656 IonicContact OD2-NZ 3.45Å; D437-K656 IonicContact OD1-NZ 3.29Å; D437-K656 PolarHBondContact OD1-NZ 3.2Å; D437-K656 IonicContact OD2-NZ 2.78Å; D437-K656 PolarHBondContact OD2-NZ 2.84Å; K656-L658 PolarHBondContact O-N 3.33Å; K656-V659 WeakPolarHBondContact O-CB 3.08Å; K656-V659 PolarHBondContact O-N 3.23Å; K656-H660 PolarHBondContact O-CD2 3.08Å; K656-H660 PolarHBondContact O-N 3.1Å; K656-H660 PolarHBondContact O-NE2 3.17Å; K656-I680 HydrophobicContact CG-CD1 4.32Å
657E97.4Very high96.1Very high4 Ų435.2 Ų35.22%0.01920%0.195CC..Hα-helixtrans-70.8-28.3-177.4-63.578.9-176.100113.5P592 R594 Y654 V655 V659 G661 D662 C666P592-E657 HydrophobicContact CB-CG 3.72Å; P592-E657 WeakPolarHBondContact CB-OE1 3.31Å; P592-E657 HydrophobicContact CG-CB 4.48Å; P592-E657 HydrophobicContact CG-CG 3.66Å; R594-E657 IonicContact CZ-OE1 2.84Å; R594-E657 IonicContact NE-OE1 2.81Å; R594-E657 PolarHBondContact NE-OE1 3.37Å; R594-E657 IonicContact NH2-OE1 3.25Å; R594-E657 PolarHBondContact NH2-OE1 3.43Å; R594-E657 IonicContact NH2-OE2 3.56Å; Y654-E657 VanDerWaalsContact CB-OE2 3.29Å; Y654-E657 WeakPolarHBondContact CB-OE2 3.21Å; Y654-E657 PolarHBondContact O-N 3.15Å; V655-E657 VanDerWaalsContact C-N 3.26Å; V655-E657 PolarHBondContact O-N 3.03Å; E657-V659 PolarHBondContact O-N 3.23Å; E657-G661 WeakPolarHBondContact O-CA 3.37Å; E657-G661 PolarHBondContact O-N 2.87Å; E657-D662 HydrophobicContact CB-CB 4.04Å; E657-D662 HydrophobicContact CG-CB 3.71Å; E657-C666 VanDerWaalsContact O-CB 3.26Å; E657-C666 WeakPolarHBondContact O-CB 3.13Å
658L98Very high96Very high0 Ų035.3 Ų35.30%020%0.196CC..Hα-helixtrans-59.1-36.1167.3165.665.6000111.8I587 I608 L611 I647 Y654 V655 K656 S669 L670I587-L658 HydrophobicContact CD1-CB 4.46Å; I587-L658 HydrophobicContact CD1-CD1 4.03Å; I587-L658 HydrophobicContact CG2-CD1 4.14Å; I608-L658 HydrophobicContact CD1-CD1 4.43Å; I608-L658 HydrophobicContact CD1-CD2 3.66Å; I608-L658 HydrophobicContact CG1-CD1 4.17Å; I608-L658 HydrophobicContact CG1-CD2 4.03Å; L611-L658 HydrophobicContact CD2-CD2 4.43Å; I647-L658 HydrophobicContact CD1-CD2 4.27Å; I647-L658 HydrophobicContact CG2-CD2 4.06Å; Y654-L658 PolarHBondContact O-N 3.22Å; V655-L658 WeakPolarHBondContact O-CB 3.19Å; V655-L658 PolarHBondContact O-N 3.05Å; K656-L658 PolarHBondContact O-N 3.33Å; L658-S669 CarbonylContact O-C 3.56Å; L658-S669 VanDerWaalsContact O-CA 3.3Å; L658-S669 WeakPolarHBondContact O-CA 3.49Å; L658-S669 VanDerWaalsContact O-CB 3.32Å; L658-S669 WeakPolarHBondContact O-CB 3.34Å; L658-L670 PolarHBondContact O-N 3.2Å
659V98.1Very high95.9Very high0 Ų031.4 Ų31.40%018%0.182CC..Hα-helixtrans-81.8-57.5-178.5176.50000110.9L645 V655 K656 E657 L670 A671 L678 I680L645-V659 HydrophobicContact CD2-CG2 3.94Å; V655-V659 PolarHBondContact O-N 2.83Å; K656-V659 WeakPolarHBondContact O-CB 3.08Å; K656-V659 PolarHBondContact O-N 3.23Å; E657-V659 PolarHBondContact O-N 3.23Å; V659-L670 HydrophobicContact CG2-CD1 4.17Å; V659-A671 WeakPolarHBondContact O-CB 3.45Å; V659-A671 PolarHBondContact O-N 3.49Å; V659-L678 HydrophobicContact CG1-CB 3.85Å; V659-L678 HydrophobicContact CG1-CD2 4.24Å; V659-I680 HydrophobicContact CB-CD1 4.03Å; V659-I680 HydrophobicContact CB-CG1 3.8Å; V659-I680 HydrophobicContact CG1-CG1 3.92Å; V659-I680 HydrophobicContact CG2-CD1 3.59Å; V659-I680 HydrophobicContact CG2-CG1 3.77Å
660H97.7Very high96Very high57 Ų5731.4 Ų31.426%0.26418%0.182SC..Hα-helixtrans-89.3-10.7-172.470.172.5000114.7K656 D662 L678K656-H660 PolarHBondContact O-CD2 3.08Å; K656-H660 PolarHBondContact O-N 3.1Å; K656-H660 PolarHBondContact O-NE2 3.17Å; H660-D662 VanDerWaalsContact C-N 3.34Å; H660-D662 PolarHBondContact CE1-N 2.71Å; H660-D662 WeakPolarHBondContact ND1-CA 3.32Å; H660-D662 PolarHBondContact ND1-N 3.27Å; H660-D662 PolarHBondContact O-N 3.02Å; H660-L678 VanDerWaalsContact CA-O 3.29Å; H660-L678 WeakPolarHBondContact CA-O 3.47Å; H660-L678 WeakPolarHBondContact CB-O 3.34Å
661G97.1Very high96.1Very high2 Ų229.8 Ų29.82%0.02118%0.177CC..THydrogen-bonded Turntrans82.9-7.8174.100000117.3E657 L663 G664 R665 C666 S669E657-G661 WeakPolarHBondContact O-CA 3.37Å; E657-G661 PolarHBondContact O-N 2.87Å; G661-L663 VanDerWaalsContact C-N 3.32Å; G661-L663 PolarHBondContact O-N 3.22Å; G661-G664 CarbonylContact O-C 3.5Å; G661-G664 WeakPolarHBondContact O-CA 3.37Å; G661-G664 PolarHBondContact O-N 3.41Å; G661-R665 PolarHBondContact O-N 2.92Å; G661-C666 PolarHBondContact O-N 3.47Å; G661-C666 VanDerWaalsContact O-N 3.12Å; G661-S669 WeakPolarHBondContact CA-OG 3.47Å
662D96.7Very high96.3Very high16 Ų1632.4 Ų32.49%0.08619%0.194CC..THydrogen-bonded Turntrans44.851.7-178.8-168.240000112.9P592 I593 E657 H660 G664 R665P592-D662 WeakPolarHBondContact CA-OD2 3.48Å; I593-D662 PolarHBondContact N-OD2 2.88Å; E657-D662 HydrophobicContact CB-CB 4.04Å; E657-D662 HydrophobicContact CG-CB 3.71Å; H660-D662 VanDerWaalsContact C-N 3.34Å; H660-D662 PolarHBondContact CE1-N 2.71Å; H660-D662 WeakPolarHBondContact ND1-CA 3.32Å; H660-D662 PolarHBondContact ND1-N 3.27Å; H660-D662 PolarHBondContact O-N 3.02Å; D662-G664 VanDerWaalsContact C-N 3.32Å; D662-G664 PolarHBondContact O-N 2.98Å; D662-R665 HydrophobicContact CB-CB 4.03Å; D662-R665 WeakPolarHBondContact O-CB 3.47Å; D662-R665 WeakPolarHBondContact O-CD 3.36Å; D662-R665 WeakPolarHBondContact O-CG 3.43Å; D662-R665 PolarHBondContact O-N 2.95Å; D662-R665 VanDerWaalsContact OD2-CD 3.25Å; D662-R665 WeakPolarHBondContact OD2-CD 3.34Å; D662-R665 IonicContact OD2-NE 3.33Å; D662-R665 PolarHBondContact OD2-NE 3.46Å
663L95.4Very high96.6Very high162 Ų16231.5 Ų31.585%0.84818%0.18SC*.THydrogen-bonded Turntrans57.740.6-176.4-52176.3000113.3I593 G661I593-L663 HydrophobicContact CD1-CD1 3.88Å; G661-L663 VanDerWaalsContact C-N 3.32Å; G661-L663 PolarHBondContact O-N 3.22Å
664G95.4Very high96.6Very high62 Ų6231.3 Ų31.364%0.63918%0.179SC*.THydrogen-bonded Turntrans82.99179.200000114.7G661 D662 C666G661-G664 CarbonylContact O-C 3.5Å; G661-G664 WeakPolarHBondContact O-CA 3.37Å; G661-G664 PolarHBondContact O-N 3.41Å; D662-G664 VanDerWaalsContact C-N 3.32Å; D662-G664 PolarHBondContact O-N 2.98Å; G664-C666 VanDerWaalsContact C-N 3.35Å
665R96.9Very high96.5Very high51 Ų5132.2 Ų32.219%0.19220%0.202CC..THydrogen-bonded Turntrans-82.4-13.3179.5-64.7172.967.478.13.6113.5L590 T591 G661 D662L590-R665 HydrophobicContact CB-CB 4.12Å; L590-R665 HydrophobicContact CD1-CB 4.37Å; L590-R665 HydrophobicContact CD1-CG 4.32Å; L590-R665 PolarHBondContact N-O 3.37Å; T591-R665 PolarHBondContact O-NH2 3.34Å; G661-R665 PolarHBondContact O-N 2.92Å; D662-R665 HydrophobicContact CB-CB 4.03Å; D662-R665 WeakPolarHBondContact O-CB 3.47Å; D662-R665 WeakPolarHBondContact O-CD 3.36Å; D662-R665 WeakPolarHBondContact O-CG 3.43Å; D662-R665 PolarHBondContact O-N 2.95Å; D662-R665 VanDerWaalsContact OD2-CD 3.25Å; D662-R665 WeakPolarHBondContact OD2-CD 3.34Å; D662-R665 IonicContact OD2-NE 3.33Å; D662-R665 PolarHBondContact OD2-NE 3.46Å
666C97.7Very high96.4Very high3 Ų336.8 Ų36.82%0.0222%0.219CC..EExtended strand (participates in β ladder)trans-109.4119.3165.5-175.60000109.4H588 Q589 E657 G661 G664 P668 S669H588-C666 WeakPolarHBondContact O-CA 3.38Å; Q589-C666 HydrophobicContact CG-CB 4.42Å; Q589-C666 PolarHBondContact NE2-SG 3.3Å; E657-C666 VanDerWaalsContact O-CB 3.26Å; E657-C666 WeakPolarHBondContact O-CB 3.13Å; G661-C666 PolarHBondContact O-N 3.47Å; G661-C666 VanDerWaalsContact O-N 3.12Å; G664-C666 VanDerWaalsContact C-N 3.35Å; C666-P668 CarbonylContact O-C 3.5Å; C666-P668 PolarHBondContact SG-O 3.19Å; C666-P668 VanDerWaalsContact SG-O 3.33Å; C666-S669 PolarHBondContact O-N 2.83Å
667N95.7Very high96.4Very high100 Ų10040.2 Ų40.254%0.53524%0.235SC..EExtended strand (participates in β ladder)trans-131.6121.4-178.4-172.942.6000112.8H588H588-N667 PolarHBondContact N-O 3.37Å; H588-N667 PolarHBondContact O-N 2.97Å
668P95.6Very high96.4Very high6 Ų640.2 Ų40.24%0.03924%0.236CC..SBendcis-67.4163.8-1533.2-38.5000111.4Y548 L585 I587 C666 I673Y548-P668 HydrophobicContact CE1-CB 4.07Å; Y548-P668 HydrophobicContact CE1-CG 3.63Å; Y548-P668 WeakPolarHBondContact OH-CB 3.36Å; Y548-P668 WeakPolarHBondContact OH-CG 3.45Å; L585-P668 HydrophobicContact CD1-CG 3.93Å; L585-P668 HydrophobicContact CD2-CG 4.41Å; L585-P668 HydrophobicContact CG-CG 4.5Å; I587-P668 HydrophobicContact CG2-CG 4.16Å; C666-P668 CarbonylContact O-C 3.5Å; C666-P668 PolarHBondContact SG-O 3.19Å; C666-P668 VanDerWaalsContact SG-O 3.33Å; P668-I673 HydrophobicContact CB-CD1 3.98Å; P668-I673 HydrophobicContact CB-CG1 3.95Å; P668-I673 HydrophobicContact CG-CD1 4.32Å
669S96.9Very high96.3Very high4 Ų443.3 Ų43.33%0.02825%0.252CS..  trans-121.5162.516258.50000109.9L658 G661 C666 A671 S672 I673L658-S669 CarbonylContact O-C 3.56Å; L658-S669 VanDerWaalsContact O-CA 3.3Å; L658-S669 WeakPolarHBondContact O-CA 3.49Å; L658-S669 VanDerWaalsContact O-CB 3.32Å; L658-S669 WeakPolarHBondContact O-CB 3.34Å; G661-S669 WeakPolarHBondContact CA-OG 3.47Å; C666-S669 PolarHBondContact O-N 2.83Å; S669-A671 VanDerWaalsContact C-N 3.3Å; S669-A671 PolarHBondContact O-N 2.84Å; S669-S672 PolarHBondContact N-OG 3.11Å; S669-S672 PolarHBondContact O-N 3.12Å; S669-S672 VanDerWaalsContact O-N 3.1Å; S669-S672 PolarHBondContact O-OG 2.88Å; S669-S672 PolarHBondContact OG-N 3.31Å; S669-S672 PolarHBondContact OG-OG 3.05Å; S669-I673 WeakPolarHBondContact O-CG1 3.48Å; S669-I673 PolarHBondContact O-N 3.42Å
670L96.9Very high96.3Very high0 Ų044.2 Ų44.20%026%0.257CS..Hα-helixtrans-61-40.6176.8-62.2-174.4000111.7M545 L611 F613 L645 L658 V659 S672 I673 F674 L678M545-L670 HydrophobicContact CE-CD2 4.25Å; M545-L670 HydrophobicContact SD-CD2 4.19Å; L611-L670 HydrophobicContact CD1-CD2 4.02Å; F613-L670 HydrophobicContact CZ-CD1 4.21Å; F613-L670 HydrophobicContact CZ-CD2 4.38Å; L645-L670 HydrophobicContact CD2-CD1 3.46Å; L645-L670 VanDerWaalsContact CD2-CD1 3.46Å; L658-L670 PolarHBondContact O-N 3.2Å; V659-L670 HydrophobicContact CG2-CD1 4.17Å; L670-S672 VanDerWaalsContact C-N 3.3Å; L670-S672 PolarHBondContact O-N 3.26Å; L670-I673 HydrophobicContact CD2-CD1 4.49Å; L670-I673 PolarHBondContact O-N 2.92Å; L670-F674 HydrophobicContact CB-CD2 4.43Å; L670-F674 HydrophobicContact CB-CE2 4.31Å; L670-F674 WeakPolarHBondContact O-CB 3.4Å; L670-F674 WeakPolarHBondContact O-CD2 3.21Å; L670-F674 WeakPolarHBondContact O-CG 3.33Å; L670-F674 PolarHBondContact O-N 2.87Å; L670-L678 HydrophobicContact CB-CD2 4.03Å
671A97Very high96.3Very high15 Ų1542.8 Ų42.812%0.12425%0.251CS..Hα-helixtrans-53.4-45.9171.500000112.5V659 S669 G675 R676 L678V659-A671 WeakPolarHBondContact O-CB 3.45Å; V659-A671 PolarHBondContact O-N 3.49Å; S669-A671 VanDerWaalsContact C-N 3.3Å; S669-A671 PolarHBondContact O-N 2.84Å; A671-G675 WeakPolarHBondContact O-CA 3.49Å; A671-G675 PolarHBondContact O-N 3.49Å; A671-R676 WeakPolarHBondContact CA-O 3.5Å; A671-R676 WeakPolarHBondContact CB-O 3.5Å; A671-R676 PolarHBondContact O-N 2.9Å; A671-L678 HydrophobicContact CB-CB 4.35Å; A671-L678 HydrophobicContact CB-CD1 4.46Å
672S95.7Very high96.3Very high66 Ų6642.9 Ų42.946%0.46225%0.251SS..Hα-helixtrans-70-35.9178.766.40000113.7S669 L670S669-S672 PolarHBondContact N-OG 3.11Å; S669-S672 PolarHBondContact O-N 3.12Å; S669-S672 VanDerWaalsContact O-N 3.1Å; S669-S672 PolarHBondContact O-OG 2.88Å; S669-S672 PolarHBondContact OG-N 3.31Å; S669-S672 PolarHBondContact OG-OG 3.05Å; L670-S672 VanDerWaalsContact C-N 3.3Å; L670-S672 PolarHBondContact O-N 3.26Å
673I95Very high96.3Very high18 Ų1842.5 Ų42.59%0.09225%0.25CC..Hα-helixtrans-68.9-44.1178.6-67.6166.6000110.4M545 Y548 L585 P668 S669 L670M545-I673 HydrophobicContact SD-CD1 3.92Å; M545-I673 HydrophobicContact SD-CG2 4.01Å; Y548-I673 HydrophobicContact CD1-CD1 4.05Å; Y548-I673 HydrophobicContact CD1-CG1 4.36Å; Y548-I673 HydrophobicContact CD2-CG1 4.14Å; Y548-I673 HydrophobicContact CE1-CD1 4.3Å; Y548-I673 HydrophobicContact CE2-CG1 4.3Å; Y548-I673 HydrophobicContact CG-CD1 4.27Å; Y548-I673 HydrophobicContact CG-CG1 4.19Å; Y548-I673 HydrophobicContact CG-CG2 4.48Å; L585-I673 HydrophobicContact CD2-CD1 4.28Å; P668-I673 HydrophobicContact CB-CD1 3.98Å; P668-I673 HydrophobicContact CB-CG1 3.95Å; P668-I673 HydrophobicContact CG-CD1 4.32Å; S669-I673 WeakPolarHBondContact O-CG1 3.48Å; S669-I673 PolarHBondContact O-N 3.42Å; L670-I673 HydrophobicContact CD2-CD1 4.49Å; L670-I673 PolarHBondContact O-N 2.92Å
674F95.4Very high96.4Very high4 Ų434.8 Ų34.82%0.01821%0.209CC..Hα-helixtrans-79-19.3-179.6-64.5-31.6000113.5I537 L541 M545 F613 L670 R676 L678I537-F674 HydrophobicContact CD1-CE2 3.91Å; I537-F674 HydrophobicContact CD1-CZ 4.29Å; L541-F674 HydrophobicContact CB-CD1 3.88Å; L541-F674 HydrophobicContact CB-CE1 4.18Å; L541-F674 HydrophobicContact CB-CG 4.36Å; L541-F674 HydrophobicContact CD2-CB 4.05Å; L541-F674 HydrophobicContact CD2-CD1 4.46Å; L541-F674 WeakPolarHBondContact CD2-O 3.42Å; L541-F674 WeakPolarHBondContact O-CD1 3.23Å; L541-F674 WeakPolarHBondContact O-CE1 3.3Å; M545-F674 HydrophobicContact CB-CE1 3.98Å; F613-F674 AromaticContact CE1-CE2 3.95Å; F613-F674 HydrophobicContact CE1-CE2 3.95Å; F613-F674 AromaticContact CE1-CZ 3.8Å; F613-F674 HydrophobicContact CE1-CZ 3.8Å; F613-F674 HydrophobicContact CZ-CE2 4.18Å; F613-F674 AromaticContact CZ-CZ 3.77Å; F613-F674 HydrophobicContact CZ-CZ 3.77Å; L670-F674 HydrophobicContact CB-CD2 4.43Å; L670-F674 HydrophobicContact CB-CE2 4.31Å; L670-F674 WeakPolarHBondContact O-CB 3.4Å; L670-F674 WeakPolarHBondContact O-CD2 3.21Å; L670-F674 WeakPolarHBondContact O-CG 3.33Å; L670-F674 PolarHBondContact O-N 2.87Å; F674-R676 HydrophobicContact CB-CB 4.2Å; F674-R676 HydrophobicContact CB-CG 4.27Å; F674-R676 PolarHBondContact O-N 3.33Å; F674-L678 HydrophobicContact CB-CD1 4.29Å; F674-L678 HydrophobicContact CD2-CD1 3.83Å; F674-L678 HydrophobicContact CD2-CD2 3.83Å; F674-L678 HydrophobicContact CE2-CD2 4.05Å
675G94.2Very high96.5Very high65 Ų6531.9 Ų31.967%0.6718%0.179SC*.THydrogen-bonded Turntrans63.134.3-171.400000111.8A671A671-G675 WeakPolarHBondContact O-CA 3.49Å; A671-G675 PolarHBondContact O-N 3.49Å
676R95.3Very high96.4Very high102 Ų10231.2 Ų31.239%0.38518%0.179SC..SBendtrans-133.1158.8-175.7-67.1-63.7-168.2177.32.2110.3L541 A671 F674 L678L541-R676 HydrophobicContact CD1-CG 4.13Å; L541-R676 HydrophobicContact CD2-CG 4.29Å; A671-R676 WeakPolarHBondContact CA-O 3.5Å; A671-R676 WeakPolarHBondContact CB-O 3.5Å; A671-R676 PolarHBondContact O-N 2.9Å; F674-R676 HydrophobicContact CB-CB 4.2Å; F674-R676 HydrophobicContact CB-CG 4.27Å; F674-R676 PolarHBondContact O-N 3.33Å; R676-L678 HydrophobicContact CB-CD1 3.8Å
677Q96.2Very high96.2Very high107 Ų10732 Ų3250%0.519%0.187SC..  trans-74.1129.4167.6-176.91782.600108.9P533P533-Q677 HydrophobicContact CG-CB 4.32Å; P533-Q677 HydrophobicContact CG-CG 4.36Å
678L97.5Very high96.1Very high5 Ų527.9 Ų27.93%0.02617%0.166CC..  trans-132.6144.7174.1-83.688000109.6W531 C532 F643 V659 H660 L670 A671 F674 R676W531-L678 WeakPolarHBondContact O-CA 3.38Å; C532-L678 HydrophobicContact CB-CG 4.49Å; F643-L678 HydrophobicContact CE1-CD2 4.12Å; F643-L678 HydrophobicContact CZ-CD2 3.73Å; V659-L678 HydrophobicContact CG1-CB 3.85Å; V659-L678 HydrophobicContact CG1-CD2 4.24Å; H660-L678 VanDerWaalsContact CA-O 3.29Å; H660-L678 WeakPolarHBondContact CA-O 3.47Å; H660-L678 WeakPolarHBondContact CB-O 3.34Å; L670-L678 HydrophobicContact CB-CD2 4.03Å; A671-L678 HydrophobicContact CB-CB 4.35Å; A671-L678 HydrophobicContact CB-CD1 4.46Å; F674-L678 HydrophobicContact CB-CD1 4.29Å; F674-L678 HydrophobicContact CD2-CD1 3.83Å; F674-L678 HydrophobicContact CD2-CD2 3.83Å; F674-L678 HydrophobicContact CE2-CD2 4.05Å; R676-L678 HydrophobicContact CB-CD1 3.8Å
679D97.2Very high95.9Very high65 Ų6531.6 Ų31.635%0.34818%0.183SC..EExtended strand (participates in β ladder)trans-143.4164.7171.7-149.7-14.1000111.9C530 W531C530-D679 VanDerWaalsContact CA-O 3.27Å; C530-D679 WeakPolarHBondContact CA-O 3.41Å; W531-D679 HydrophobicContact CE3-CB 4.35Å; W531-D679 PolarHBondContact N-O 3.44Å; W531-D679 PolarHBondContact O-N 3.34Å
680I97.5Very high95.6Very high18 Ų1832.3 Ų32.39%0.09219%0.186CC..EExtended strand (participates in β ladder)trans-105.9117.4173.1-62.4-172.6000109.4A528 V655 K656 V659 A682 L683A528-I680 HydrophobicContact CB-CD1 4.14Å; A528-I680 HydrophobicContact CB-CG1 4.39Å; A528-I680 HydrophobicContact CB-CG2 4.01Å; V655-I680 HydrophobicContact CG1-CD1 4Å; K656-I680 HydrophobicContact CG-CD1 4.32Å; V659-I680 HydrophobicContact CB-CD1 4.03Å; V659-I680 HydrophobicContact CB-CG1 3.8Å; V659-I680 HydrophobicContact CG1-CG1 3.92Å; V659-I680 HydrophobicContact CG2-CD1 3.59Å; V659-I680 HydrophobicContact CG2-CG1 3.77Å; I680-A682 VanDerWaalsContact CG2-O 3.29Å; I680-A682 WeakPolarHBondContact CG2-O 3.43Å; I680-L683 HydrophobicContact CD1-CD1 4.49Å; I680-L683 HydrophobicContact CG2-CB 4.04Å
681L96.9Very high95.2Very high27 Ų2738.4 Ų38.414%0.14122%0.219CC..EExtended strand (participates in β ladder)trans-82.7-38.3175.8-59.3-177.2000112.1V529 W531 W633 Y637 L642V529-L681 HydrophobicContact CB-CB 4.48Å; V529-L681 HydrophobicContact CG1-CB 4.36Å; V529-L681 HydrophobicContact CG1-CD1 4.29Å; V529-L681 PolarHBondContact O-N 3.33Å; W531-L681 HydrophobicContact CB-CD1 3.88Å; W531-L681 HydrophobicContact CB-CD2 4.11Å; W531-L681 HydrophobicContact CB-CG 3.87Å; W633-L681 HydrophobicContact CB-CD1 4.5Å; W633-L681 HydrophobicContact CD2-CB 3.9Å; W633-L681 HydrophobicContact CD2-CD1 4.12Å; W633-L681 HydrophobicContact CE3-CB 3.9Å; W633-L681 HydrophobicContact CE3-CD1 3.78Å; W633-L681 HydrophobicContact CE3-CG 4.32Å; W633-L681 HydrophobicContact CG-CD1 4.44Å; W633-L681 HydrophobicContact CH2-CB 4Å; W633-L681 WeakPolarHBondContact CH2-O 3.47Å; W633-L681 HydrophobicContact CZ2-CB 4.03Å; W633-L681 WeakPolarHBondContact CZ2-O 3.31Å; W633-L681 HydrophobicContact CZ3-CB 3.95Å; W633-L681 HydrophobicContact CZ3-CD1 4.34Å; W633-L681 HydrophobicContact CZ3-CD2 4.36Å; W633-L681 HydrophobicContact CZ3-CG 4.46Å; Y637-L681 HydrophobicContact CD1-CD1 4.45Å; Y637-L681 HydrophobicContact CD2-CD1 3.48Å; Y637-L681 VanDerWaalsContact CD2-CD1 3.48Å; Y637-L681 HydrophobicContact CD2-CD2 4.49Å; Y637-L681 HydrophobicContact CE1-CD2 4.24Å; Y637-L681 HydrophobicContact CE2-CD1 3.58Å; Y637-L681 HydrophobicContact CE2-CD2 3.77Å; Y637-L681 HydrophobicContact CE2-CG 4.32Å; Y637-L681 HydrophobicContact CG-CD1 3.95Å; L642-L681 HydrophobicContact CD2-CD1 3.64Å
682A96.9Very high94.9Very high4 Ų438.7 Ų38.73%0.03322%0.217CC..EExtended strand (participates in β ladder)trans-144.9142.3179.500000110.4A528 V529 F630 W633 I680A528-A682 CarbonylContact C-O 3.53Å; A528-A682 WeakPolarHBondContact CA-O 3.46Å; V529-A682 HydrophobicContact CB-CB 4.23Å; V529-A682 HydrophobicContact CG2-CB 4.23Å; V529-A682 PolarHBondContact N-O 2.83Å; F630-A682 HydrophobicContact CD1-CB 4.35Å; F630-A682 HydrophobicContact CE1-CB 4.06Å; W633-A682 HydrophobicContact CZ2-CB 4.14Å; I680-A682 VanDerWaalsContact CG2-O 3.29Å; I680-A682 WeakPolarHBondContact CG2-O 3.43Å
683L97.7Very high94.7Very high9 Ų935.6 Ų35.65%0.04720%0.195CC..EExtended strand (participates in β ladder)trans-134.3137.2-179.7-178.268.1000110.2R389 V438 R439 Y526 A528 V655 I680R389-L683 PolarHBondContact NH1-O 3.27Å; V438-L683 WeakPolarHBondContact CA-O 3.49Å; V438-L683 HydrophobicContact CG1-CD2 4.48Å; V438-L683 HydrophobicContact CG1-CG 4.29Å; V438-L683 HydrophobicContact CG2-CB 4.09Å; V438-L683 HydrophobicContact CG2-CD2 3.96Å; V438-L683 HydrophobicContact CG2-CG 4.25Å; R439-L683 PolarHBondContact N-O 3.28Å; Y526-L683 HydrophobicContact CD1-CD1 3.96Å; Y526-L683 HydrophobicContact CD1-CD2 4.25Å; Y526-L683 HydrophobicContact CD1-CG 4.21Å; Y526-L683 HydrophobicContact CG-CD1 4.36Å; A528-L683 HydrophobicContact CB-CD1 3.92Å; V655-L683 HydrophobicContact CB-CD2 4.37Å; V655-L683 HydrophobicContact CG1-CD1 3.87Å; V655-L683 HydrophobicContact CG1-CD2 4.27Å; I680-L683 HydrophobicContact CD1-CD1 4.49Å; I680-L683 HydrophobicContact CG2-CB 4.04Å
684D97.3Very high94.5Very high0 Ų037.9 Ų37.90%021%0.21CC..EExtended strand (participates in β ladder)trans-125.3138.1173.6-60.5-23.7000109.1R389 R439 L441 Y526 R527 F630 I686R389-D684 IonicContact CZ-OD1 3.24Å; R389-D684 IonicContact NH1-OD1 2.94Å; R389-D684 PolarHBondContact NH1-OD1 3.36Å; R389-D684 IonicContact NH2-OD1 3.41Å; R389-D684 PolarHBondContact NH2-OD1 3Å; R389-D684 IonicContact NH2-OD2 3.94Å; R439-D684 WeakPolarHBondContact CB-OD1 3.26Å; R439-D684 IonicContact CZ-OD1 3.63Å; R439-D684 IonicContact CZ-OD2 2.74Å; R439-D684 IonicContact NE-OD1 3.11Å; R439-D684 PolarHBondContact NE-OD1 3.38Å; R439-D684 IonicContact NE-OD2 3.32Å; R439-D684 PolarHBondContact NE-OD2 2.95Å; R439-D684 IonicContact NH2-OD1 2.73Å; R439-D684 IonicContact NH2-OD2 2.84Å; R439-D684 PolarHBondContact NH2-OD2 3.01Å; R439-D684 WeakPolarHBondContact O-CA 3.23Å; L441-D684 HydrophobicContact CD1-CB 4.03Å; L441-D684 HydrophobicContact CG-CB 4.41Å; Y526-D684 CarbonylContact C-O 3.55Å; Y526-D684 WeakPolarHBondContact CA-O 3.18Å; R527-D684 PolarHBondContact N-O 3.45Å; R527-D684 PolarHBondContact O-N 2.81Å; F630-D684 WeakPolarHBondContact CE1-OD2 3.27Å; F630-D684 VanDerWaalsContact CZ-OD2 3.27Å; F630-D684 WeakPolarHBondContact CZ-OD2 3.23Å; D684-I686 HydrophobicContact CB-CG2 4.15Å
685V96.4Very high94.3Very high1 Ų143.9 Ų43.91%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-82.8113.9159.7178.70000106.4E434 V438 R439 C440 L441 C525 Y526 V688E434-V685 HydrophobicContact CB-CG2 4.43Å; V438-V685 HydrophobicContact CG1-CG2 4.02Å; R439-V685 PolarHBondContact O-N 3.18Å; C440-V685 CarbonylContact C-O 3.47Å; C440-V685 HydrophobicContact CB-CB 4.45Å; L441-V685 PolarHBondContact N-O 3.27Å; C525-V685 CarbonylContact O-C 3.55Å; Y526-V685 HydrophobicContact CD1-CG2 3.93Å; Y526-V685 HydrophobicContact CE1-CG2 3.62Å; V685-V688 HydrophobicContact CG1-CG2 3.8Å
686I95.9Very high94.2Very high36 Ų3641.9 Ų41.919%0.18521%0.206CC..EExtended strand (participates in β ladder)trans-99.1-15.8-18059.1166.8000112.6C525 R527 E646 D684C525-I686 HydrophobicContact CB-CD1 4.17Å; C525-I686 HydrophobicContact CB-CG1 3.68Å; C525-I686 WeakPolarHBondContact O-CG1 3.41Å; C525-I686 PolarHBondContact O-N 3.07Å; R527-I686 HydrophobicContact CB-CD1 4.26Å; R527-I686 HydrophobicContact CB-CG2 3.68Å; E646-I686 HydrophobicContact CG-CD1 4.39Å; D684-I686 HydrophobicContact CB-CG2 4.15Å
687G94Very high93.7Very high20 Ų2046.4 Ų46.421%0.20623%0.228CC..EExtended strand (participates in β ladder)trans-157140.1179.300000112.8C525C525-G687 PolarHBondContact N-O 2.82Å; C525-G687 PolarHBondContact O-N 2.96Å; C525-G687 VanDerWaalsContact O-N 3.16Å
688V92.9Very high92.9Very high13 Ų1345.8 Ų45.88%0.07923%0.229CC..EExtended strand (participates in β ladder)trans-123.3104.3170.2-179.20000106.2K522 V685 L690K522-V688 HydrophobicContact CD-CG1 3.49Å; K522-V688 VanDerWaalsContact CD-CG1 3.49Å; V685-V688 HydrophobicContact CG1-CG2 3.8Å; V688-L690 HydrophobicContact CG1-CB 4.49Å; V688-L690 PolarHBondContact O-N 2.88Å
689E91.6Very high91.7Very high85 Ų8549 Ų4940%0.39725%0.249SC..EExtended strand (participates in β ladder)trans-78.570.4-175.2-65.7-177.7-15600110.7K522 A523 C525 R648K522-E689 VanDerWaalsContact CB-O 3.32Å; K522-E689 WeakPolarHBondContact CB-O 3.48Å; A523-E689 HydrophobicContact CB-CB 4.18Å; A523-E689 HydrophobicContact CB-CG 4.29Å; A523-E689 WeakPolarHBondContact CB-OE2 3.35Å; A523-E689 WeakPolarHBondContact O-CB 3.12Å; A523-E689 PolarHBondContact O-N 3.27Å; C525-E689 PolarHBondContact SG-OE1 3.25Å; R648-E689 IonicContact CZ-OE1 3.53Å; R648-E689 IonicContact CZ-OE2 3.44Å; R648-E689 IonicContact NE-OE1 2.74Å; R648-E689 PolarHBondContact NE-OE1 3.34Å; R648-E689 IonicContact NE-OE2 3.16Å; R648-E689 PolarHBondContact NE-OE2 3.17Å; R648-E689 IonicContact NH2-OE1 3.46Å; R648-E689 IonicContact NH2-OE2 2.7Å; R648-E689 PolarHBondContact NH2-OE2 3.2Å
690L89.5Confident90.3Very high19 Ų1952.8 Ų52.810%0.09927%0.268CS..  trans-137.8116.3170.5170.666.1000105.1R383 P446 L517 K522 V688 W692R383-L690 PolarHBondContact NH1-O 3.36Å; R383-L690 PolarHBondContact NH2-O 3.15Å; P446-L690 HydrophobicContact CB-CD2 4.25Å; P446-L690 HydrophobicContact CG-CD2 4.08Å; L517-L690 HydrophobicContact CD2-CD1 4.32Å; K522-L690 HydrophobicContact CB-CB 4.47Å; K522-L690 HydrophobicContact CD-CB 4.2Å; V688-L690 HydrophobicContact CG1-CB 4.49Å; V688-L690 PolarHBondContact O-N 2.88Å; L690-W692 HydrophobicContact CD1-CB 4.25Å; L690-W692 HydrophobicContact CD2-CB 4.31Å; L690-W692 HydrophobicContact CG-CB 3.97Å; L690-W692 PolarHBondContact O-N 3.32Å
691D88.5Confident88.5Confident127 Ų12760 Ų6068%0.67931%0.306SS*.  trans-82.867176.1-169.920.7000110.6
692W91.7Very high86Confident22 Ų2268.8 Ų68.88%0.08335%0.354CS..  trans-155.9142.4176.4-17491.4000111.5A381 R383 P446 A448 V506 S510 A511 A514 L515 L690A381-W692 HydrophobicContact CB-CH2 3.53Å; A381-W692 HydrophobicContact CB-CZ2 3.71Å; A381-W692 HydrophobicContact CB-CZ3 4.23Å; R383-W692 PolarHBondContact NH2-O 3.36Å; P446-W692 HydrophobicContact CB-CE3 4.05Å; P446-W692 HydrophobicContact CB-CZ3 4.39Å; P446-W692 WeakPolarHBondContact CB-O 3.22Å; P446-W692 WeakPolarHBondContact CG-O 3.39Å; A448-W692 HydrophobicContact CB-CH2 4.15Å; V506-W692 HydrophobicContact CG1-CZ2 4.42Å; V506-W692 HydrophobicContact CG2-CZ2 4.15Å; S510-W692 PolarHBondContact OG-NE1 3.41Å; A511-W692 VanDerWaalsContact CA-CZ2 3.48Å; A511-W692 HydrophobicContact CB-CH2 4.25Å; A511-W692 HydrophobicContact CB-CZ2 4.12Å; A514-W692 HydrophobicContact CB-CB 3.92Å; A514-W692 VanDerWaalsContact CB-CD1 3.47Å; A514-W692 HydrophobicContact CB-CD2 3.17Å; A514-W692 VanDerWaalsContact CB-CE2 3.42Å; A514-W692 HydrophobicContact CB-CE3 3.71Å; A514-W692 HydrophobicContact CB-CG 3.24Å; A514-W692 HydrophobicContact CB-CZ2 4.15Å; A514-W692 HydrophobicContact CB-CZ3 4.38Å; L515-W692 HydrophobicContact CD2-CH2 4.41Å; L515-W692 HydrophobicContact CD2-CZ3 3.76Å; L515-W692 HydrophobicContact CG-CH2 4.22Å; L515-W692 HydrophobicContact CG-CZ3 3.99Å; L690-W692 HydrophobicContact CD1-CB 4.25Å; L690-W692 HydrophobicContact CD2-CB 4.31Å; L690-W692 HydrophobicContact CG-CB 3.97Å; L690-W692 PolarHBondContact O-N 3.32Å
693P92.2Very high85.4Confident1 Ų172.1 Ų72.11%0.00637%0.37CS..SBendcis-63.4164.2-14.438.1-41.2000109.2A381 Q504 V506 R695A381-P693 HydrophobicContact CB-CB 3.82Å; A381-P693 HydrophobicContact CB-CG 3.91Å; Q504-P693 HydrophobicContact CG-CB 4.04Å; Q504-P693 HydrophobicContact CG-CG 4.43Å; Q504-P693 VanDerWaalsContact NE2-CB 3.32Å; V506-P693 HydrophobicContact CG1-CB 4.49Å; P693-R695 PolarHBondContact O-N 2.93Å
694T90.2Very high84.8Confident65 Ų6575.4 Ų75.440%0.39939%0.387SS..PPolyproline II helixtrans-56.9135.2-175.140.80000110P480 Q504 L696P480-T694 WeakPolarHBondContact CG-OG1 3.23Å; Q504-T694 PolarHBondContact NE2-O 3.22Å; Q504-T694 PolarHBondContact OE1-OG1 2.78Å; T694-L696 PolarHBondContact O-N 2.83Å
695R91.5Very high84.1Confident130 Ų13079.6 Ų79.649%0.49141%0.408SS..PPolyproline II helixtrans-60.6128.3178.4-177.9178.6174.5-175.8-1.7109.7P693 D698P693-R695 PolarHBondContact O-N 2.93Å; R695-D698 IonicContact CZ-OD2 2.81Å; R695-D698 IonicContact NH2-OD1 3.73Å; R695-D698 IonicContact NH2-OD2 3.71Å; R695-D698 PolarHBondContact NH2-OD2 2.81Å
696L90.7Very high83.3Confident24 Ų2484.2 Ų84.213%0.12643%0.432CS..PPolyproline II helixtrans-79.7157.7174.6-59.1-177.8000110P480 D482 D502 T694 D698P480-L696 HydrophobicContact CB-CD2 3.39Å; P480-L696 HydrophobicContact CG-CD2 3.99Å; D482-L696 HydrophobicContact CB-CD1 3.65Å; D502-L696 HydrophobicContact CB-CG 4.32Å; D502-L696 PolarHBondContact OD1-N 3.16Å; T694-L696 PolarHBondContact O-N 2.83Å; L696-D698 PolarHBondContact O-N 2.87Å
697K84.7Confident82.6Confident196 Ų19687.2 Ų87.285%0.85245%0.447SS*.PPolyproline II helixtrans-59.7134.2169.6-67.1179.9-176.7170.80108.5
698D79.7Confident81.8Confident95 Ų9591.7 Ų91.751%0.50846%0.463SS..PPolyproline II helixtrans-60.1132.8175.5-67.1-45.5000108R501 R695 L696R501-D698 IonicContact NH2-OD1 2.79Å; R501-D698 PolarHBondContact NH2-OD1 2.99Å; R501-D698 VanDerWaalsContact NH2-OD1 3.11Å; R695-D698 IonicContact CZ-OD2 2.81Å; R695-D698 IonicContact NH2-OD1 3.73Å; R695-D698 IonicContact NH2-OD2 3.71Å; R695-D698 PolarHBondContact NH2-OD2 2.81Å; L696-D698 PolarHBondContact O-N 2.87Å
699P72.1Confident81Confident71 Ų7197.3 Ų97.346%0.46149%0.491SS..PPolyproline II helixtrans-63.1142.3-176.324.8-32.9000110.5L484 L701L484-P699 HydrophobicContact CD2-CB 3.73Å; L484-P699 HydrophobicContact CD2-CG 4.32Å; P699-L701 PolarHBondContact O-N 2.91Å
700I68.7Low80.2Confident145 Ų14598.2 Ų98.274%0.74450%0.498SS*.  trans-64.7110.7171.9-51.8177.8000106.8N702I700-N702 VanDerWaalsContact CG2-OD1 3.23Å; I700-N702 WeakPolarHBondContact CG2-OD1 3.49Å; I700-N702 PolarHBondContact O-N 3.37Å
701L58.7Low79.4Confident169 Ų169104.8 Ų104.889%0.88553%0.531SS*.  trans-71.981.6169-66.7167000107.1P699P699-L701 PolarHBondContact O-N 2.91Å
702N44.3Very low78.6Confident213 Ų213102.8 Ų102.8100%1.13952%0.518SS*.  trans-80.40167.6-84.8-6.1000110.4I700I700-N702 VanDerWaalsContact CG2-OD1 3.23Å; I700-N702 WeakPolarHBondContact CG2-OD1 3.49Å; I700-N702 PolarHBondContact O-N 3.37Å

Retrieved 702 of 702 residues in 276.1 ms (Link to these results)

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