A0A5K4EJM6_SCHMA Loading...

5'-nucleotidase

AlphaFold DB , UniProt , Accession A0A5K4EJM6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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
1M43.8Very low51.1Low234 Ų234129.1 Ų129.1100%1.15367%0.666SS**  092.80-157.3166.7-174.900105.9
2F46.2Very low51Low209 Ų209123.1 Ų123.192%0.91765%0.65SS**  trans-81.4111.8176.4-90.2-91.4000106.4P4F2-P4 VanDerWaalsContact O-CD 3.23Å; F2-P4 WeakPolarHBondContact O-CD 3.23Å
3C46.8Very low51.3Low96 Ų96120.5 Ų120.565%0.64964%0.641SS**  trans-73.4113.6171.1-73.50000108.8E5C3-E5 PolarHBondContact O-N 3.35Å
4P49.7Very low51.6Low98 Ų98117.9 Ų117.964%0.63663%0.628SS**  trans-93.273.7172.134.7-20.8000107.9F2F2-P4 VanDerWaalsContact O-CD 3.23Å; F2-P4 WeakPolarHBondContact O-CD 3.23Å
5E55.4Low51.9Low119 Ų119117.3 Ų117.356%0.55663%0.625SS**  trans-128.2-12.2-168.8-79.2-174154.900119.4C3C3-E5 PolarHBondContact O-N 3.35Å
6P53.8Low52.2Low88 Ų88117.2 Ų117.257%0.57162%0.624SS**Hα-helixtrans-78.3-44.7174.9-15.529.5000113.7I10P6-I10 WeakPolarHBondContact O-CD1 3.43Å; P6-I10 VanDerWaalsContact O-CG1 3.27Å; P6-I10 WeakPolarHBondContact O-CG1 3.46Å; P6-I10 PolarHBondContact O-N 3.4Å; P6-I10 VanDerWaalsContact O-N 3.15Å
7Q53.8Low52.9Low147 Ų147114.4 Ų114.469%0.68761%0.612SS**Hα-helixtrans-72.1-36.5-168.7-141.899.221.400113.1N11Q7-N11 WeakPolarHBondContact O-CB 3.43Å; Q7-N11 VanDerWaalsContact O-CG 3.32Å; Q7-N11 PolarHBondContact O-N 3.15Å; Q7-N11 VanDerWaalsContact O-N 3.07Å; Q7-N11 PolarHBondContact O-ND2 2.99Å
8I53.6Low53.6Low117 Ų117111.8 Ų111.860%0.660%0.601SS**Hα-helixtrans-70.4-41.4-179-61.9175.8000110.1N11 A12I8-N11 PolarHBondContact O-N 3.5Å; I8-A12 WeakPolarHBondContact O-CB 3.38Å; I8-A12 PolarHBondContact O-N 3.07Å
9Q46.5Very low54.2Low131 Ų131110.3 Ų110.361%0.61260%0.597SS**Hα-helixtrans-64.4-44.3175.7-76.9-174.1-10.400112N11 A12 V13Q9-N11 PolarHBondContact O-N 3.48Å; Q9-A12 PolarHBondContact O-N 2.94Å; Q9-V13 VanDerWaalsContact O-CG2 3.31Å; Q9-V13 WeakPolarHBondContact O-CG2 3.4Å; Q9-V13 PolarHBondContact O-N 3.38Å
10I56.4Low54.9Low93 Ų93110.2 Ų110.248%0.47759%0.594SS.*Hα-helixtrans-62.2-44.8178.2-67.1165.2000111.2P6 A12 V13 N14P6-I10 WeakPolarHBondContact O-CD1 3.43Å; P6-I10 VanDerWaalsContact O-CG1 3.27Å; P6-I10 WeakPolarHBondContact O-CG1 3.46Å; P6-I10 PolarHBondContact O-N 3.4Å; P6-I10 VanDerWaalsContact O-N 3.15Å; I10-A12 VanDerWaalsContact C-N 3.35Å; I10-A12 PolarHBondContact O-N 3.47Å; I10-V13 PolarHBondContact O-N 2.92Å; I10-N14 WeakPolarHBondContact O-CB 3.27Å; I10-N14 PolarHBondContact O-N 2.97Å; I10-N14 PolarHBondContact O-ND2 3.37Å
11N56.7Low55.6Low88 Ų88110.1 Ų110.147%0.47159%0.59SS.*Hα-helixtrans-65.3-37.8178.2-73.7-13.9000112.3Q7 I8 Q9 N15Q7-N11 WeakPolarHBondContact O-CB 3.43Å; Q7-N11 VanDerWaalsContact O-CG 3.32Å; Q7-N11 PolarHBondContact O-N 3.15Å; Q7-N11 VanDerWaalsContact O-N 3.07Å; Q7-N11 PolarHBondContact O-ND2 2.99Å; I8-N11 PolarHBondContact O-N 3.5Å; Q9-N11 PolarHBondContact O-N 3.48Å; N11-N15 WeakPolarHBondContact O-CB 3.34Å; N11-N15 VanDerWaalsContact O-CG 3.25Å; N11-N15 PolarHBondContact O-N 3.3Å; N11-N15 PolarHBondContact O-ND2 3.49Å
12A49.5Very low56.9Low57 Ų57103 Ų10347%0.47156%0.557SS.*Hα-helixtrans-64.2-45.2175.700000111.6I8 Q9 I10 N15 L16I8-A12 WeakPolarHBondContact O-CB 3.38Å; I8-A12 PolarHBondContact O-N 3.07Å; Q9-A12 PolarHBondContact O-N 2.94Å; I10-A12 VanDerWaalsContact C-N 3.35Å; I10-A12 PolarHBondContact O-N 3.47Å; A12-N15 PolarHBondContact O-N 3.47Å; A12-L16 WeakPolarHBondContact O-CB 3.31Å; A12-L16 PolarHBondContact O-N 2.94Å
13V54.9Low58.2Low89 Ų8996.1 Ų96.154%0.53953%0.532SS..Hα-helixtrans-62.9-44.8176.7172.50000111.2Q9 I10 L16 T17Q9-V13 VanDerWaalsContact O-CG2 3.31Å; Q9-V13 WeakPolarHBondContact O-CG2 3.4Å; Q9-V13 PolarHBondContact O-N 3.38Å; I10-V13 PolarHBondContact O-N 2.92Å; V13-L16 PolarHBondContact O-N 2.72Å; V13-T17 WeakPolarHBondContact O-CB 3.42Å; V13-T17 PolarHBondContact O-N 3.02Å; V13-T17 PolarHBondContact O-OG1 2.94Å
14N55.6Low59.6Low85 Ų8592.2 Ų92.246%0.45550%0.504SS..Hα-helixtrans-61.3-47177.2-71.4-17000111.3I10 L16 T17 T18I10-N14 WeakPolarHBondContact O-CB 3.27Å; I10-N14 PolarHBondContact O-N 2.97Å; I10-N14 PolarHBondContact O-ND2 3.37Å; N14-L16 VanDerWaalsContact C-N 3.35Å; N14-L16 PolarHBondContact O-N 2.94Å; N14-T17 PolarHBondContact O-N 2.92Å; N14-T18 PolarHBondContact O-N 3.35Å; N14-T18 PolarHBondContact O-OG1 3.43Å
15N55.4Low60.8Low108 Ų10892 Ų9258%0.57850%0.495SS*.Hα-helixtrans-62.8-40.1178.3-76.1-15.6000112.4N11 A12 T18 T19N11-N15 WeakPolarHBondContact O-CB 3.34Å; N11-N15 VanDerWaalsContact O-CG 3.25Å; N11-N15 PolarHBondContact O-N 3.3Å; N11-N15 PolarHBondContact O-ND2 3.49Å; A12-N15 PolarHBondContact O-N 3.47Å; N15-T18 PolarHBondContact O-N 3.44Å; N15-T19 WeakPolarHBondContact O-CB 3.43Å; N15-T19 PolarHBondContact O-N 2.72Å; N15-T19 PolarHBondContact O-OG1 2.95Å
16L57.6Low61.7Low116 Ų11692.1 Ų92.161%0.60750%0.497SS*.Hα-helixtrans-62.2-45.6175.8-147.387.5000110.7A12 V13 N14 T18 T19 I20A12-L16 WeakPolarHBondContact O-CB 3.31Å; A12-L16 PolarHBondContact O-N 2.94Å; V13-L16 PolarHBondContact O-N 2.72Å; N14-L16 VanDerWaalsContact C-N 3.35Å; N14-L16 PolarHBondContact O-N 2.94Å; L16-T18 PolarHBondContact O-N 3.24Å; L16-T19 PolarHBondContact O-N 3.19Å; L16-I20 HydrophobicContact CD2-CD1 4.44Å; L16-I20 HydrophobicContact CG-CD1 4.49Å; L16-I20 WeakPolarHBondContact O-CG1 3.45Å; L16-I20 PolarHBondContact O-N 2.95Å
17T63Low62.9Low69 Ų6990 Ų9042%0.42348%0.482SS..Hα-helixtrans-61.4-45.7179.1-51.90000111.4V13 N14 T19 I20 Q21V13-T17 WeakPolarHBondContact O-CB 3.42Å; V13-T17 PolarHBondContact O-N 3.02Å; V13-T17 PolarHBondContact O-OG1 2.94Å; N14-T17 PolarHBondContact O-N 2.92Å; T17-T19 VanDerWaalsContact C-N 3.33Å; T17-T19 PolarHBondContact O-N 3.46Å; T17-I20 PolarHBondContact O-N 3.43Å; T17-Q21 PolarHBondContact O-N 2.61Å
18T65.5Low64.3Low68 Ų6883 Ų8342%0.41745%0.45SS..Hα-helixtrans-63.1-39175.4-53.10000112N14 N15 L16 Q21 N22N14-T18 PolarHBondContact O-N 3.35Å; N14-T18 PolarHBondContact O-OG1 3.43Å; N15-T18 PolarHBondContact O-N 3.44Å; L16-T18 PolarHBondContact O-N 3.24Å; T18-Q21 PolarHBondContact O-N 3.4Å; T18-N22 WeakPolarHBondContact O-CB 3.33Å; T18-N22 PolarHBondContact O-N 3.01Å; T18-N22 PolarHBondContact O-ND2 3.42Å
19T66.3Low65.7Low84 Ų8479.4 Ų79.452%0.51544%0.435SS..Hα-helixtrans-65.9-42.9178.6-55.30000111.5N15 L16 T17 N22 T23N15-T19 WeakPolarHBondContact O-CB 3.43Å; N15-T19 PolarHBondContact O-N 2.72Å; N15-T19 PolarHBondContact O-OG1 2.95Å; L16-T19 PolarHBondContact O-N 3.19Å; T17-T19 VanDerWaalsContact C-N 3.33Å; T17-T19 PolarHBondContact O-N 3.46Å; T19-N22 PolarHBondContact O-N 3.49Å; T19-T23 WeakPolarHBondContact O-CB 3.5Å; T19-T23 PolarHBondContact O-N 3.4Å; T19-T23 PolarHBondContact O-OG1 3.42Å
20I67.3Low67.4Low107 Ų10776.6 Ų76.655%0.54943%0.427SS..Hα-helixtrans-62.2-47.5175.7-67.8165.4000110.1L16 T17 N22 T23 L24L16-I20 HydrophobicContact CD2-CD1 4.44Å; L16-I20 HydrophobicContact CG-CD1 4.49Å; L16-I20 WeakPolarHBondContact O-CG1 3.45Å; L16-I20 PolarHBondContact O-N 2.95Å; T17-I20 PolarHBondContact O-N 3.43Å; I20-N22 PolarHBondContact O-N 2.97Å; I20-T23 PolarHBondContact O-N 2.8Å; I20-L24 WeakPolarHBondContact O-CB 3.41Å; I20-L24 PolarHBondContact O-N 2.91Å
21Q69.4Low68.8Low109 Ų10972.5 Ų72.551%0.50941%0.406SS..Hα-helixtrans-58.9-44.8177.3-80.3-176.9-44.600112.7T17 T18 T23 L24 Q25T17-Q21 PolarHBondContact O-N 2.61Å; T18-Q21 PolarHBondContact O-N 3.4Å; Q21-T23 VanDerWaalsContact C-N 3.34Å; Q21-T23 PolarHBondContact O-N 3.04Å; Q21-L24 PolarHBondContact O-N 3.42Å; Q21-Q25 WeakPolarHBondContact O-CG 3.4Å; Q21-Q25 PolarHBondContact O-N 2.9Å
22N71.3Confident70.2Confident86 Ų8668.6 Ų68.646%0.4639%0.385SS..Hα-helixtrans-63.7-40.2178.3-71.7-16.4000111.9T18 T19 I20 Q25 M26T18-N22 WeakPolarHBondContact O-CB 3.33Å; T18-N22 PolarHBondContact O-N 3.01Å; T18-N22 PolarHBondContact O-ND2 3.42Å; T19-N22 PolarHBondContact O-N 3.49Å; I20-N22 PolarHBondContact O-N 2.97Å; N22-Q25 PolarHBondContact O-N 3Å; N22-M26 WeakPolarHBondContact O-CG 3.49Å; N22-M26 PolarHBondContact O-N 3.21Å
23T74.5Confident71.8Confident63 Ų6370 Ų7039%0.38739%0.385SS..Hα-helixtrans-65.5-41.2178.7-540000111.3T19 I20 Q21 M26 T27T19-T23 WeakPolarHBondContact O-CB 3.5Å; T19-T23 PolarHBondContact O-N 3.4Å; T19-T23 PolarHBondContact O-OG1 3.42Å; I20-T23 PolarHBondContact O-N 2.8Å; Q21-T23 VanDerWaalsContact C-N 3.34Å; Q21-T23 PolarHBondContact O-N 3.04Å; T23-M26 PolarHBondContact O-N 3.41Å; T23-T27 PolarHBondContact O-N 2.86Å; T23-T27 PolarHBondContact O-OG1 3.34Å
24L74.8Confident73.1Confident14 Ų1469.6 Ų69.67%0.07338%0.377CS..Hα-helixtrans-65-46.7176.6-174.2119.9000111.5I20 Q21 M26 T27 V28 E63 A66 I67I20-L24 WeakPolarHBondContact O-CB 3.41Å; I20-L24 PolarHBondContact O-N 2.91Å; Q21-L24 PolarHBondContact O-N 3.42Å; L24-M26 VanDerWaalsContact C-N 3.3Å; L24-M26 PolarHBondContact O-N 3.46Å; L24-T27 PolarHBondContact O-N 3.42Å; L24-T27 VanDerWaalsContact O-N 3.1Å; L24-V28 WeakPolarHBondContact O-CG2 3.22Å; L24-V28 PolarHBondContact O-N 3.13Å; L24-E63 HydrophobicContact CD2-CB 4.23Å; L24-E63 HydrophobicContact CD2-CG 4.23Å; L24-A66 HydrophobicContact CD1-CB 3.68Å; L24-A66 HydrophobicContact CG-CB 4.26Å; L24-I67 HydrophobicContact CD1-CG1 3.87Å; L24-I67 HydrophobicContact CD2-CD1 3.72Å; L24-I67 HydrophobicContact CD2-CG1 3.45Å; L24-I67 VanDerWaalsContact CD2-CG1 3.45Å; L24-I67 HydrophobicContact CG-CG1 4.3Å
25Q74.6Confident74.3Confident93 Ų9365.6 Ų65.644%0.43536%0.356SS..Hα-helixtrans-58.6-41.4176-79.1-172-28.400112.3Q21 N22 S29Q21-Q25 WeakPolarHBondContact O-CG 3.4Å; Q21-Q25 PolarHBondContact O-N 2.9Å; N22-Q25 PolarHBondContact O-N 3Å; Q25-S29 VanDerWaalsContact O-CB 3.24Å; Q25-S29 WeakPolarHBondContact O-CB 3.31Å; Q25-S29 PolarHBondContact O-N 3.36Å; Q25-S29 PolarHBondContact O-OG 2.96Å
26M76.3Confident75.4Confident122 Ų12262.7 Ų62.760%0.60134%0.34SS*.Hα-helixtrans-63.9-40.5175.4-74.3-162.1-47.800112.3N22 T23 L24 S29 T30N22-M26 WeakPolarHBondContact O-CG 3.49Å; N22-M26 PolarHBondContact O-N 3.21Å; T23-M26 PolarHBondContact O-N 3.41Å; L24-M26 VanDerWaalsContact C-N 3.3Å; L24-M26 PolarHBondContact O-N 3.46Å; M26-S29 PolarHBondContact O-N 3.23Å; M26-T30 WeakPolarHBondContact O-CB 3.45Å; M26-T30 PolarHBondContact O-N 3.03Å; M26-T30 PolarHBondContact O-OG1 3.46Å
27T79Confident76.1Confident43 Ų4362.3 Ų62.326%0.26434%0.335SS..Hα-helixtrans-71.6-42.3-177.2-52.50000111.3T23 L24 S29 T30 L31 H330T23-T27 PolarHBondContact O-N 2.86Å; T23-T27 PolarHBondContact O-OG1 3.34Å; L24-T27 PolarHBondContact O-N 3.42Å; L24-T27 VanDerWaalsContact O-N 3.1Å; T27-S29 VanDerWaalsContact C-N 3.34Å; T27-S29 PolarHBondContact O-N 2.95Å; T27-T30 PolarHBondContact O-N 3Å; T27-L31 PolarHBondContact O-N 2.78Å; T27-H330 WeakPolarHBondContact CB-CE1 3.5Å; T27-H330 WeakPolarHBondContact CB-NE2 3.29Å; T27-H330 WeakPolarHBondContact CG2-NE2 3.47Å; T27-H330 PolarHBondContact OG1-CE1 2.94Å; T27-H330 PolarHBondContact OG1-NE2 3.33Å
28V82.9Confident76.2Confident2 Ų260.3 Ų60.31%0.01232%0.322CS..Hα-helixtrans-62.4-42.7172.2175.40000111L24 T30 L31 L32 Q59 L62 E63 A66L24-V28 WeakPolarHBondContact O-CG2 3.22Å; L24-V28 PolarHBondContact O-N 3.13Å; V28-T30 VanDerWaalsContact C-N 3.29Å; V28-T30 PolarHBondContact O-N 3.09Å; V28-L31 PolarHBondContact O-N 3.22Å; V28-L32 WeakPolarHBondContact O-CB 3.46Å; V28-L32 PolarHBondContact O-N 3.21Å; V28-Q59 HydrophobicContact CG1-CG 3.94Å; V28-L62 HydrophobicContact CG1-CB 3.53Å; V28-L62 HydrophobicContact CG1-CD1 4.18Å; V28-L62 HydrophobicContact CG2-CB 4.43Å; V28-E63 HydrophobicContact CB-CG 4.09Å; V28-E63 HydrophobicContact CG1-CG 4.01Å; V28-E63 HydrophobicContact CG2-CG 3.96Å; V28-A66 HydrophobicContact CG2-CB 4.39Å
29S81.7Confident75.6Confident40 Ų4059 Ų5928%0.2832%0.316SS..Hα-helixtrans-61.4-39.4175.5-60.90000111.8Q25 M26 T27 L32 N33Q25-S29 VanDerWaalsContact O-CB 3.24Å; Q25-S29 WeakPolarHBondContact O-CB 3.31Å; Q25-S29 PolarHBondContact O-N 3.36Å; Q25-S29 PolarHBondContact O-OG 2.96Å; M26-S29 PolarHBondContact O-N 3.23Å; T27-S29 VanDerWaalsContact C-N 3.34Å; T27-S29 PolarHBondContact O-N 2.95Å; S29-L32 PolarHBondContact O-N 3.2Å; S29-N33 WeakPolarHBondContact O-CB 3.4Å; S29-N33 PolarHBondContact O-N 3.34Å; S29-N33 PolarHBondContact O-ND2 3.21Å
30T83.7Confident74.7Confident73 Ų7359.7 Ų59.745%0.44832%0.324SS..Hα-helixtrans-66.2-45.9176.9-57.30000111.1M26 T27 V28 L32 N33 Q34M26-T30 WeakPolarHBondContact O-CB 3.45Å; M26-T30 PolarHBondContact O-N 3.03Å; M26-T30 PolarHBondContact O-OG1 3.46Å; T27-T30 PolarHBondContact O-N 3Å; V28-T30 VanDerWaalsContact C-N 3.29Å; V28-T30 PolarHBondContact O-N 3.09Å; T30-L32 VanDerWaalsContact C-N 3.33Å; T30-L32 PolarHBondContact O-N 3.43Å; T30-N33 PolarHBondContact O-N 3.49Å; T30-Q34 WeakPolarHBondContact O-CG 3.42Å; T30-Q34 PolarHBondContact O-N 2.94Å
31L85Confident73.6Confident6 Ų660.4 Ų60.43%0.03133%0.327CS..Hα-helixtrans-58.9-45.4174.1171.966.7000111.1T27 V28 N33 Q34 I35 L62 K322 I323T27-L31 PolarHBondContact O-N 2.78Å; V28-L31 PolarHBondContact O-N 3.22Å; L31-N33 VanDerWaalsContact C-N 3.31Å; L31-N33 PolarHBondContact O-N 3.09Å; L31-Q34 WeakPolarHBondContact O-CB 3.37Å; L31-Q34 PolarHBondContact O-N 2.97Å; L31-Q34 VanDerWaalsContact O-N 3.09Å; L31-I35 HydrophobicContact CD1-CD1 4.09Å; L31-I35 HydrophobicContact CD1-CG1 4.24Å; L31-I35 HydrophobicContact CG-CD1 3.91Å; L31-I35 HydrophobicContact CG-CG1 4.45Å; L31-I35 VanDerWaalsContact O-CG1 3.3Å; L31-I35 WeakPolarHBondContact O-CG1 3.34Å; L31-I35 PolarHBondContact O-N 3.11Å; L31-L62 HydrophobicContact CD2-CD1 4.17Å; L31-L62 HydrophobicContact CD2-CD2 4.07Å; L31-K322 HydrophobicContact CD1-CB 3.92Å; L31-I323 HydrophobicContact CD1-CG1 4.45Å; L31-I323 HydrophobicContact CD2-CB 4.47Å; L31-I323 HydrophobicContact CD2-CG1 4.05Å
32L85.3Confident72.5Confident6 Ų658.6 Ų58.63%0.03132%0.316CS..Hα-helixtrans-62.3-41.4179.1-172.159.9000111.2V28 S29 T30 I35 L36 I52 I55 V58 Q59V28-L32 WeakPolarHBondContact O-CB 3.46Å; V28-L32 PolarHBondContact O-N 3.21Å; S29-L32 PolarHBondContact O-N 3.2Å; T30-L32 VanDerWaalsContact C-N 3.33Å; T30-L32 PolarHBondContact O-N 3.43Å; L32-I35 PolarHBondContact O-N 2.9Å; L32-L36 HydrophobicContact CG-CD1 4.31Å; L32-L36 WeakPolarHBondContact O-CB 3.26Å; L32-L36 VanDerWaalsContact O-CG 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.35Å; L32-I52 HydrophobicContact CD1-CD1 3.92Å; L32-I55 HydrophobicContact CD2-CG2 3.58Å; L32-I55 HydrophobicContact CG-CG2 4.3Å; L32-V58 HydrophobicContact CD1-CG1 4.06Å; L32-Q59 HydrophobicContact CD2-CB 3.85Å; L32-Q59 HydrophobicContact CD2-CG 4.2Å
33N83.1Confident70.9Confident88 Ų8860.9 Ų60.947%0.47133%0.328SS..Hα-helixtrans-62.2-41.4172.1-70.9-22.6000111.5S29 T30 L31 I35 L36 E37S29-N33 WeakPolarHBondContact O-CB 3.4Å; S29-N33 PolarHBondContact O-N 3.34Å; S29-N33 PolarHBondContact O-ND2 3.21Å; T30-N33 PolarHBondContact O-N 3.49Å; L31-N33 VanDerWaalsContact C-N 3.31Å; L31-N33 PolarHBondContact O-N 3.09Å; N33-I35 PolarHBondContact O-N 3.46Å; N33-L36 CarbonylContact O-C 3.57Å; N33-L36 PolarHBondContact O-N 2.91Å; N33-E37 VanDerWaalsContact O-CB 3.28Å; N33-E37 WeakPolarHBondContact O-CB 3.35Å; N33-E37 VanDerWaalsContact O-CG 3.27Å; N33-E37 WeakPolarHBondContact O-CG 3.26Å; N33-E37 PolarHBondContact O-N 3.47Å
34Q82.8Confident69.4Low80 Ų8066.5 Ų66.537%0.37435%0.354SS..Hα-helixtrans-64.6-38.4175.8-71.8174.1-5.100112.8T30 L31 N38T30-Q34 WeakPolarHBondContact O-CG 3.42Å; T30-Q34 PolarHBondContact O-N 2.94Å; L31-Q34 WeakPolarHBondContact O-CB 3.37Å; L31-Q34 PolarHBondContact O-N 2.97Å; L31-Q34 VanDerWaalsContact O-N 3.09Å; Q34-N38 WeakPolarHBondContact O-CB 3.43Å; Q34-N38 PolarHBondContact O-N 3.28Å
35I81.7Confident67.9Low1 Ų173.1 Ų73.11%0.00539%0.389CS..Hα-helixtrans-64-43.5174.7-67.4168.5000109.9L31 L32 N33 N38 V50 I52 I309 I319 I323L31-I35 HydrophobicContact CD1-CD1 4.09Å; L31-I35 HydrophobicContact CD1-CG1 4.24Å; L31-I35 HydrophobicContact CG-CD1 3.91Å; L31-I35 HydrophobicContact CG-CG1 4.45Å; L31-I35 VanDerWaalsContact O-CG1 3.3Å; L31-I35 WeakPolarHBondContact O-CG1 3.34Å; L31-I35 PolarHBondContact O-N 3.11Å; L32-I35 PolarHBondContact O-N 2.9Å; N33-I35 PolarHBondContact O-N 3.46Å; I35-N38 WeakPolarHBondContact O-CB 3.44Å; I35-V50 HydrophobicContact CG2-CG1 3.88Å; I35-I52 HydrophobicContact CG2-CD1 3.94Å; I35-I309 HydrophobicContact CD1-CD1 4.46Å; I35-I319 HydrophobicContact CD1-CG2 4.29Å; I35-I319 HydrophobicContact CG1-CG2 4.13Å; I35-I319 HydrophobicContact CG2-CD1 4.31Å; I35-I319 HydrophobicContact CG2-CG2 4.32Å; I35-I323 HydrophobicContact CD1-CD1 4.09Å; I35-I323 HydrophobicContact CD1-CG1 3.94Å
36L76.7Confident67Low47 Ų4770.8 Ų70.825%0.24638%0.383CS..Hα-helixtrans-71.3-37.8177.3-68.6170.8000112.2L32 N33 N38 S39 I52 I55L32-L36 HydrophobicContact CG-CD1 4.31Å; L32-L36 WeakPolarHBondContact O-CB 3.26Å; L32-L36 VanDerWaalsContact O-CG 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.35Å; N33-L36 CarbonylContact O-C 3.57Å; N33-L36 PolarHBondContact O-N 2.91Å; L36-N38 VanDerWaalsContact C-N 3.31Å; L36-N38 PolarHBondContact O-N 3.33Å; L36-S39 WeakPolarHBondContact O-CB 3.37Å; L36-S39 PolarHBondContact O-N 2.87Å; L36-S39 PolarHBondContact O-OG 3.06Å; L36-I52 HydrophobicContact CD2-CD1 4.03Å; L36-I55 HydrophobicContact CD1-CD1 4.26Å
37E72.9Confident66.9Low107 Ų10769.8 Ų69.850%0.538%0.384SS..Hα-helixtrans-67.3-33.5176.5-79.4176.3-17300111.6N33 S39 S40 I41N33-E37 VanDerWaalsContact O-CB 3.28Å; N33-E37 WeakPolarHBondContact O-CB 3.35Å; N33-E37 VanDerWaalsContact O-CG 3.27Å; N33-E37 WeakPolarHBondContact O-CG 3.26Å; N33-E37 PolarHBondContact O-N 3.47Å; E37-S39 PolarHBondContact O-N 3.39Å; E37-S39 VanDerWaalsContact O-N 3.13Å; E37-S40 PolarHBondContact O-N 2.92Å; E37-I41 HydrophobicContact CB-CD1 4.01Å; E37-I41 WeakPolarHBondContact O-CG1 3.11Å; E37-I41 PolarHBondContact O-N 3.43Å
38N64.6Low67.1Low27 Ų2768.9 Ų68.914%0.14438%0.378CS..Hα-helixtrans-55.7-27169.7-101.4-29000112.3Q34 I35 L36 V50Q34-N38 WeakPolarHBondContact O-CB 3.43Å; Q34-N38 PolarHBondContact O-N 3.28Å; I35-N38 WeakPolarHBondContact O-CB 3.44Å; L36-N38 VanDerWaalsContact C-N 3.31Å; L36-N38 PolarHBondContact O-N 3.33Å; N38-V50 HydrophobicContact CB-CG2 4.5Å
39S53.6Low67.4Low42 Ų4269.8 Ų69.829%0.29439%0.387SS..Hα-helixtrans-73.1-30.6171.781.60000113.6L36 E37L36-S39 WeakPolarHBondContact O-CB 3.37Å; L36-S39 PolarHBondContact O-N 2.87Å; L36-S39 PolarHBondContact O-OG 3.06Å; E37-S39 PolarHBondContact O-N 3.39Å; E37-S39 VanDerWaalsContact O-N 3.13Å
40S46.7Very low67.9Low98 Ų9868.5 Ų68.569%0.68538%0.377SS*.Hα-helixtrans-95.8-22.3-171.2-59.70000113.5E37E37-S40 PolarHBondContact O-N 2.92Å
41I45.5Very low68.4Low122 Ų12269.2 Ų69.263%0.62637%0.372SS*.Hα-helixtrans-90.7-17.5-172.3-66.9171.1000112.7E37 N43E37-I41 HydrophobicContact CB-CD1 4.01Å; E37-I41 WeakPolarHBondContact O-CG1 3.11Å; E37-I41 PolarHBondContact O-N 3.43Å; I41-N43 PolarHBondContact O-N 3.2Å; I41-N43 VanDerWaalsContact O-N 3.15Å
42R46.2Very low68.8Low70 Ų7069.9 Ų69.926%0.26438%0.375SS..SBendtrans-84.1102.3-179.2-62.3-170.9-171.5-175.57.6110S46 D314R42-S46 WeakPolarHBondContact CB-OG 3.09Å; R42-D314 IonicContact NH1-OD1 3.87Å; R42-D314 PolarHBondContact NH1-OD1 3.41Å; R42-D314 IonicContact NH1-OD2 3.91Å; R42-D314 IonicContact NH2-OD2 3.66Å
43N37.9Very low69.2Low135 Ų13575.9 Ų75.972%0.72240%0.401SS*.  trans1.6142.8169.5-84.9-39.4000118I41 N45 S46I41-N43 PolarHBondContact O-N 3.2Å; I41-N43 VanDerWaalsContact O-N 3.15Å; N43-N45 PolarHBondContact O-N 2.91Å; N43-S46 VanDerWaalsContact O-CB 3.29Å; N43-S46 WeakPolarHBondContact O-CB 3.38Å; N43-S46 PolarHBondContact O-N 3.01Å
44I43.2Very low69.7Low180 Ų18075.6 Ų75.692%0.92340%0.4SS*.THydrogen-bonded Turntrans-51.4-10.5174.7-64.9162.9000114.7
45N43.5Very low70.2Confident154 Ų15475.5 Ų75.582%0.82440%0.401SS*.THydrogen-bonded Turntrans-1121.1174.7-65.2-18.7000114.7N43N43-N45 PolarHBondContact O-N 2.91Å
46S54.3Low70.7Confident44 Ų4483 Ų8331%0.30843%0.434SS..  trans-83118.7178.4167.90000109.3R42 N43 T48R42-S46 WeakPolarHBondContact CB-OG 3.09Å; N43-S46 VanDerWaalsContact O-CB 3.29Å; N43-S46 WeakPolarHBondContact O-CB 3.38Å; N43-S46 PolarHBondContact O-N 3.01Å; S46-T48 PolarHBondContact O-N 3.48Å; S46-T48 WeakPolarHBondContact OG-CB 3.41Å; S46-T48 PolarHBondContact OG-N 3.1Å
47T73.7Confident71.5Confident101 Ų10182.9 Ų82.962%0.6244%0.435SS*.  trans-74.3-2.8171.955.20000112.7N313T47-N313 WeakPolarHBondContact CB-ND2 3.42Å; T47-N313 PolarHBondContact O-ND2 3.12Å
48T83.8Confident72.6Confident23 Ų2377.9 Ų77.914%0.14141%0.411CS..  trans-80.4129178.1-48.50000112S46 V312 N313 D314S46-T48 PolarHBondContact O-N 3.48Å; S46-T48 WeakPolarHBondContact OG-CB 3.41Å; S46-T48 PolarHBondContact OG-N 3.1Å; T48-V312 WeakPolarHBondContact CA-O 3.29Å; T48-V312 WeakPolarHBondContact CG2-O 3.32Å; T48-N313 PolarHBondContact OG1-O 2.73Å; T48-D314 HydrophobicContact CG2-CB 3.77Å
49A88.4Confident73.9Confident22 Ų2279.1 Ų79.118%0.18242%0.416CS..EExtended strand (participates in β ladder)trans-147.3155.9179.300000112.1Y51 V312A49-Y51 HydrophobicContact CB-CD2 4.31Å; A49-Y51 HydrophobicContact CB-CE2 3.59Å; A49-V312 HydrophobicContact CB-CB 4.31Å; A49-V312 PolarHBondContact N-O 2.91Å; A49-V312 VanDerWaalsContact N-O 3.08Å; A49-V312 PolarHBondContact O-N 2.84Å
50V93.1Very high75.8Confident12 Ų1282.1 Ų82.17%0.07343%0.426CS..EExtended strand (participates in β ladder)trans-116.1127.3176.7-174.40000108.9I35 N38 I52 I309 V310 L311 I319I35-V50 HydrophobicContact CG2-CG1 3.88Å; N38-V50 HydrophobicContact CB-CG2 4.5Å; V50-I52 HydrophobicContact CG1-CG1 4.46Å; V50-I309 HydrophobicContact CG1-CG2 3.88Å; V50-V310 WeakPolarHBondContact CA-O 3.47Å; V50-L311 HydrophobicContact CB-CD2 4.41Å; V50-L311 HydrophobicContact CG1-CD2 3.95Å; V50-L311 HydrophobicContact CG2-CD2 4Å; V50-I319 HydrophobicContact CG1-CD1 4.28Å; V50-I319 HydrophobicContact CG2-CD1 3.53Å
51Y93.8Very high78.1Confident89 Ų8978.5 Ų78.535%0.34940%0.397SS..EExtended strand (participates in β ladder)trans-119.7131.1176.7-64.9-96.2000110.6A49 L300 V310 V312A49-Y51 HydrophobicContact CB-CD2 4.31Å; A49-Y51 HydrophobicContact CB-CE2 3.59Å; Y51-L300 HydrophobicContact CD1-CD1 4.4Å; Y51-L300 HydrophobicContact CD1-CD2 4.34Å; Y51-L300 HydrophobicContact CD2-CD1 3.79Å; Y51-L300 HydrophobicContact CE1-CD2 3.92Å; Y51-L300 HydrophobicContact CE2-CD1 4.05Å; Y51-L300 HydrophobicContact CE2-CD2 4.19Å; Y51-L300 HydrophobicContact CG-CD1 3.97Å; Y51-V310 PolarHBondContact N-O 2.97Å; Y51-V310 PolarHBondContact O-N 3.02Å; Y51-V312 HydrophobicContact CD2-CG2 3.73Å; Y51-V312 HydrophobicContact CE2-CB 4.35Å; Y51-V312 HydrophobicContact CE2-CG2 3.63Å
52I94.7Very high80.4Confident20 Ų2072.7 Ų72.710%0.10337%0.368CS..  trans-128110.1174.3-60.9-179.7000107.6L32 I35 L36 V50 I55 V58 I309L32-I52 HydrophobicContact CD1-CD1 3.92Å; I35-I52 HydrophobicContact CG2-CD1 3.94Å; L36-I52 HydrophobicContact CD2-CD1 4.03Å; V50-I52 HydrophobicContact CG1-CG1 4.46Å; I52-I55 HydrophobicContact CB-CG1 4.3Å; I52-I55 HydrophobicContact CG2-CB 4.45Å; I52-I55 HydrophobicContact CG2-CG1 3.91Å; I52-V58 HydrophobicContact CG2-CB 4.15Å; I52-V58 HydrophobicContact CG2-CG2 3.47Å; I52-V58 VanDerWaalsContact CG2-CG2 3.47Å; I52-I309 HydrophobicContact CD1-CG1 4.24Å; I52-I309 HydrophobicContact CG1-CB 4.49Å; I52-I309 HydrophobicContact CG1-CG1 4.17Å; I52-I309 HydrophobicContact CG1-CG2 4.25Å
53K93.1Very high82.5Confident132 Ų13270.8 Ų70.857%0.57436%0.362SS*.SBendtrans-69-41.3-177.5-173.8173.2-178.1172.70112.1Q304K53-Q304 HydrophobicContact CB-CB 4.28Å; K53-Q304 WeakPolarHBondContact CB-O 3.19Å; K53-Q304 HydrophobicContact CD-CB 4.28Å; K53-Q304 WeakPolarHBondContact CD-O 3.29Å
54N94.2Very high85.1Confident82 Ų8265.7 Ų65.744%0.43933%0.334SS..  trans-12988.4-179.6-170.5-18.8000111.2K56 T57 V58N54-K56 PolarHBondContact O-N 3.12Å; N54-K56 PolarHBondContact OD1-N 3.48Å; N54-T57 PolarHBondContact ND2-OG1 3.04Å; N54-T57 PolarHBondContact O-N 3.41Å; N54-T57 VanDerWaalsContact O-N 3.13Å; N54-T57 PolarHBondContact OD1-N 2.76Å; N54-T57 VanDerWaalsContact OD1-N 3.15Å; N54-T57 PolarHBondContact OD1-OG1 2.89Å; N54-V58 PolarHBondContact O-N 3.35Å; N54-V58 VanDerWaalsContact O-N 3.09Å
55I92.7Very high87.5Confident78 Ų7857.1 Ų57.140%0.429%0.291SS..Hα-helixtrans-54.3-39.4-179.2-63.4177.7000111.7L32 L36 I52 V58 Q59L32-I55 HydrophobicContact CD2-CG2 3.58Å; L32-I55 HydrophobicContact CG-CG2 4.3Å; L36-I55 HydrophobicContact CD1-CD1 4.26Å; I52-I55 HydrophobicContact CB-CG1 4.3Å; I52-I55 HydrophobicContact CG2-CB 4.45Å; I52-I55 HydrophobicContact CG2-CG1 3.91Å; I55-V58 PolarHBondContact O-N 2.71Å; I55-Q59 WeakPolarHBondContact O-CB 2.88Å; I55-Q59 PolarHBondContact O-N 2.91Å
56K92.5Very high89.7Confident159 Ų15950 Ų5069%0.69125%0.252SS*.Hα-helixtrans-66-42.9-179.6-68.9-175.7178.5-178.30112N54 Q59 Q60N54-K56 PolarHBondContact O-N 3.12Å; N54-K56 PolarHBondContact OD1-N 3.48Å; K56-Q59 PolarHBondContact O-N 2.74Å; K56-Q60 VanDerWaalsContact O-CG 3.29Å; K56-Q60 WeakPolarHBondContact O-CG 3.24Å; K56-Q60 PolarHBondContact O-N 3.12Å
57T93.7Very high91.4Very high44 Ų4453 Ų5327%0.2726%0.264SS..Hα-helixtrans-64.4-42.1176.8-63.80000111.2N54 Q59 Q60 K61N54-T57 PolarHBondContact ND2-OG1 3.04Å; N54-T57 PolarHBondContact O-N 3.41Å; N54-T57 VanDerWaalsContact O-N 3.13Å; N54-T57 PolarHBondContact OD1-N 2.76Å; N54-T57 VanDerWaalsContact OD1-N 3.15Å; N54-T57 PolarHBondContact OD1-OG1 2.89Å; T57-Q59 PolarHBondContact O-N 2.72Å; T57-Q60 PolarHBondContact O-N 2.9Å; T57-K61 HydrophobicContact CG2-CD 4.36Å; T57-K61 WeakPolarHBondContact O-CG 3.38Å; T57-K61 PolarHBondContact O-N 3.36Å
58V94.4Very high92.1Very high1 Ų149.6 Ų49.61%0.00624%0.244CC..Hα-helixtrans-61.8-45.2175.5178.60000111.4L32 I52 N54 I55 Q60 K61 L62 L287 D308 I309L32-V58 HydrophobicContact CD1-CG1 4.06Å; I52-V58 HydrophobicContact CG2-CB 4.15Å; I52-V58 HydrophobicContact CG2-CG2 3.47Å; I52-V58 VanDerWaalsContact CG2-CG2 3.47Å; N54-V58 PolarHBondContact O-N 3.35Å; N54-V58 VanDerWaalsContact O-N 3.09Å; I55-V58 PolarHBondContact O-N 2.71Å; V58-Q60 VanDerWaalsContact C-N 3.35Å; V58-Q60 PolarHBondContact O-N 2.93Å; V58-K61 PolarHBondContact O-N 3.4Å; V58-L62 HydrophobicContact CG1-CD1 3.91Å; V58-L62 HydrophobicContact CG1-CG 4.33Å; V58-L62 WeakPolarHBondContact O-CB 3.45Å; V58-L62 WeakPolarHBondContact O-CG 3.48Å; V58-L62 PolarHBondContact O-N 3.16Å; V58-L287 HydrophobicContact CG1-CD1 4.29Å; V58-D308 HydrophobicContact CG2-CB 3.94Å; V58-I309 HydrophobicContact CG1-CD1 3.97Å; V58-I309 HydrophobicContact CG1-CG1 4.09Å; V58-I309 HydrophobicContact CG2-CG1 4.33Å
59Q92.8Very high92.4Very high54 Ų5448.6 Ų48.625%0.25224%0.239SC..Hα-helixtrans-57.3-48.3176-169.6-174.9-36.500111.5V28 L32 I55 K56 T57 K61 L62 E63V28-Q59 HydrophobicContact CG1-CG 3.94Å; L32-Q59 HydrophobicContact CD2-CB 3.85Å; L32-Q59 HydrophobicContact CD2-CG 4.2Å; I55-Q59 WeakPolarHBondContact O-CB 2.88Å; I55-Q59 PolarHBondContact O-N 2.91Å; K56-Q59 PolarHBondContact O-N 2.74Å; T57-Q59 PolarHBondContact O-N 2.72Å; Q59-K61 PolarHBondContact O-N 2.91Å; Q59-L62 PolarHBondContact O-N 2.87Å; Q59-E63 PolarHBondContact NE2-OE1 3.2Å; Q59-E63 WeakPolarHBondContact O-CG 3.26Å; Q59-E63 PolarHBondContact O-N 2.95Å
60Q92.8Very high92.6Very high105 Ų10550.2 Ų50.249%0.49124%0.242SC..Hα-helixtrans-60.2-45.6178.6-74.3170.7-26.900112K56 T57 V58 L62 E63 I64K56-Q60 VanDerWaalsContact O-CG 3.29Å; K56-Q60 WeakPolarHBondContact O-CG 3.24Å; K56-Q60 PolarHBondContact O-N 3.12Å; T57-Q60 PolarHBondContact O-N 2.9Å; V58-Q60 VanDerWaalsContact C-N 3.35Å; V58-Q60 PolarHBondContact O-N 2.93Å; Q60-L62 PolarHBondContact O-N 3.29Å; Q60-E63 PolarHBondContact O-N 3.45Å; Q60-I64 WeakPolarHBondContact O-CD1 3.18Å; Q60-I64 VanDerWaalsContact O-CG1 3.3Å; Q60-I64 WeakPolarHBondContact O-CG1 3.36Å; Q60-I64 PolarHBondContact O-N 3.01Å
61K95.1Very high92.6Very high21 Ų2155 Ų559%0.09127%0.267CS..Hα-helixtrans-60.1-47.2176.4-72.4-176.1174.5-173.90111T57 V58 Q59 E63 I64 L65 D277 T285 V286 L287 D308T57-K61 HydrophobicContact CG2-CD 4.36Å; T57-K61 WeakPolarHBondContact O-CG 3.38Å; T57-K61 PolarHBondContact O-N 3.36Å; V58-K61 PolarHBondContact O-N 3.4Å; Q59-K61 PolarHBondContact O-N 2.91Å; K61-E63 VanDerWaalsContact C-N 3.33Å; K61-E63 PolarHBondContact O-N 2.79Å; K61-I64 WeakPolarHBondContact O-CB 2.99Å; K61-I64 PolarHBondContact O-N 3.3Å; K61-I64 VanDerWaalsContact O-N 3.16Å; K61-L65 VanDerWaalsContact O-CG 3.3Å; K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.02Å; K61-D277 IonicContact NZ-OD2 2.74Å; K61-T285 HydrophobicContact CB-CG2 3.96Å; K61-T285 HydrophobicContact CD-CG2 4.43Å; K61-T285 HydrophobicContact CG-CG2 3.91Å; K61-V286 WeakPolarHBondContact CD-O 3.35Å; K61-V286 WeakPolarHBondContact CE-O 3.26Å; K61-V286 PolarHBondContact NZ-O 3.27Å; K61-L287 HydrophobicContact CB-CD1 4.15Å; K61-L287 HydrophobicContact CD-CD1 4.1Å; K61-D308 IonicContact NZ-OD1 2.81Å; K61-D308 PolarHBondContact NZ-OD1 2.94Å; K61-D308 IonicContact NZ-OD2 2.79Å; K61-D308 PolarHBondContact NZ-OD2 3.33Å
62L93.6Very high92.6Very high1 Ų155.9 Ų55.91%0.00527%0.273CS..Hα-helixtrans-60.1-40.5176.6-71.4170.6000112.5V28 L31 V58 Q59 Q60 L65 A66 L287 I323V28-L62 HydrophobicContact CG1-CB 3.53Å; V28-L62 HydrophobicContact CG1-CD1 4.18Å; V28-L62 HydrophobicContact CG2-CB 4.43Å; L31-L62 HydrophobicContact CD2-CD1 4.17Å; L31-L62 HydrophobicContact CD2-CD2 4.07Å; V58-L62 HydrophobicContact CG1-CD1 3.91Å; V58-L62 HydrophobicContact CG1-CG 4.33Å; V58-L62 WeakPolarHBondContact O-CB 3.45Å; V58-L62 WeakPolarHBondContact O-CG 3.48Å; V58-L62 PolarHBondContact O-N 3.16Å; Q59-L62 PolarHBondContact O-N 2.87Å; Q60-L62 PolarHBondContact O-N 3.29Å; L62-L65 PolarHBondContact O-N 2.95Å; L62-A66 VanDerWaalsContact O-CB 3.32Å; L62-A66 WeakPolarHBondContact O-CB 3.17Å; L62-A66 PolarHBondContact O-N 3.39Å; L62-L287 HydrophobicContact CD2-CD2 3.58Å; L62-L287 HydrophobicContact CG-CD2 4.2Å; L62-I323 HydrophobicContact CD2-CD1 4.45Å; L62-I323 HydrophobicContact CD2-CG1 4.1Å; L62-I323 HydrophobicContact CD2-CG2 3.76Å
63E91.8Very high92.6Very high30 Ų3055 Ų5514%0.1427%0.268CS..Hα-helixtrans-61.3-44.9173.5-73.2170.9-169.900111.4L24 V28 Q59 Q60 K61 A66 I67L24-E63 HydrophobicContact CD2-CB 4.23Å; L24-E63 HydrophobicContact CD2-CG 4.23Å; V28-E63 HydrophobicContact CB-CG 4.09Å; V28-E63 HydrophobicContact CG1-CG 4.01Å; V28-E63 HydrophobicContact CG2-CG 3.96Å; Q59-E63 PolarHBondContact NE2-OE1 3.2Å; Q59-E63 WeakPolarHBondContact O-CG 3.26Å; Q59-E63 PolarHBondContact O-N 2.95Å; Q60-E63 PolarHBondContact O-N 3.45Å; K61-E63 VanDerWaalsContact C-N 3.33Å; K61-E63 PolarHBondContact O-N 2.79Å; E63-A66 PolarHBondContact O-N 3.44Å; E63-I67 WeakPolarHBondContact O-CB 3.46Å; E63-I67 WeakPolarHBondContact O-CD1 3.31Å; E63-I67 WeakPolarHBondContact O-CG1 3.43Å; E63-I67 PolarHBondContact O-N 3.47Å
64I91.9Very high92.8Very high27 Ų2749.3 Ų49.314%0.13824%0.244CC..Hα-helixtrans-61-45.8176.8-68157.6000111Q60 K61 S68 T285Q60-I64 WeakPolarHBondContact O-CD1 3.18Å; Q60-I64 VanDerWaalsContact O-CG1 3.3Å; Q60-I64 WeakPolarHBondContact O-CG1 3.36Å; Q60-I64 PolarHBondContact O-N 3.01Å; K61-I64 WeakPolarHBondContact O-CB 2.99Å; K61-I64 PolarHBondContact O-N 3.3Å; K61-I64 VanDerWaalsContact O-N 3.16Å; I64-S68 WeakPolarHBondContact O-CB 3.39Å; I64-S68 PolarHBondContact O-N 3.31Å; I64-S68 PolarHBondContact O-OG 3.03Å; I64-T285 HydrophobicContact CG2-CG2 4.32Å
65L93.2Very high92.9Very high1 Ų145.4 Ų45.41%0.00522%0.223CC..Hα-helixtrans-60.9-46.9177.8-64.4-172.1000111.2K61 L62 S68 G69 L73 N257 T285 L287 I327K61-L65 VanDerWaalsContact O-CG 3.3Å; K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.02Å; L62-L65 PolarHBondContact O-N 2.95Å; L65-S68 PolarHBondContact O-N 3.49Å; L65-G69 PolarHBondContact O-N 3.25Å; L65-G69 VanDerWaalsContact O-N 3.09Å; L65-L73 HydrophobicContact CD2-CD1 4.16Å; L65-N257 HydrophobicContact CD2-CB 3.5Å; L65-N257 VanDerWaalsContact CD2-CB 3.5Å; L65-T285 HydrophobicContact CD2-CG2 4.01Å; L65-T285 HydrophobicContact CG-CG2 4.46Å; L65-L287 HydrophobicContact CD1-CB 4.03Å; L65-L287 HydrophobicContact CD1-CD2 4.03Å; L65-I327 HydrophobicContact CB-CD1 3.68Å; L65-I327 HydrophobicContact CB-CG1 4.13Å; L65-I327 HydrophobicContact CD1-CD1 3.89Å; L65-I327 HydrophobicContact CG-CD1 4.43Å
66A90.5Very high93.1Very high3 Ų341.8 Ų41.83%0.02520%0.204CC..Hα-helixtrans-65.4-44.4-17900000112.3L24 V28 L62 E63 G69 I327L24-A66 HydrophobicContact CD1-CB 3.68Å; L24-A66 HydrophobicContact CG-CB 4.26Å; V28-A66 HydrophobicContact CG2-CB 4.39Å; L62-A66 VanDerWaalsContact O-CB 3.32Å; L62-A66 WeakPolarHBondContact O-CB 3.17Å; L62-A66 PolarHBondContact O-N 3.39Å; E63-A66 PolarHBondContact O-N 3.44Å; A66-G69 PolarHBondContact O-N 2.93Å; A66-I327 HydrophobicContact CB-CG1 4.46Å
67I89.2Confident93.4Very high108 Ų10834.2 Ų34.255%0.55417%0.171SC*.Hα-helixtrans-66.6-40.8178.1-68.6164.7000111.5L24 E63 G69L24-I67 HydrophobicContact CD1-CG1 3.87Å; L24-I67 HydrophobicContact CD2-CD1 3.72Å; L24-I67 HydrophobicContact CD2-CG1 3.45Å; L24-I67 VanDerWaalsContact CD2-CG1 3.45Å; L24-I67 HydrophobicContact CG-CG1 4.3Å; E63-I67 WeakPolarHBondContact O-CB 3.46Å; E63-I67 WeakPolarHBondContact O-CD1 3.31Å; E63-I67 WeakPolarHBondContact O-CG1 3.43Å; E63-I67 PolarHBondContact O-N 3.47Å; I67-G69 PolarHBondContact O-N 2.58Å
68S89.3Confident93.6Very high29 Ų2932.3 Ų32.320%0.20316%0.16CC..Hα-helixtrans-70-26.8-178.3-65.10000112.6I64 L65 N257I64-S68 WeakPolarHBondContact O-CB 3.39Å; I64-S68 PolarHBondContact O-N 3.31Å; I64-S68 PolarHBondContact O-OG 3.03Å; L65-S68 PolarHBondContact O-N 3.49Å; S68-N257 WeakPolarHBondContact CB-ND2 3.13Å; S68-N257 PolarHBondContact OG-ND2 2.92Å
69G90.3Very high93.8Very high3 Ų332.3 Ų32.33%0.03116%0.159CC..  trans71.3176.8175.100000114.5L65 A66 I67 D71 K72 N331L65-G69 PolarHBondContact O-N 3.25Å; L65-G69 VanDerWaalsContact O-N 3.09Å; A66-G69 PolarHBondContact O-N 2.93Å; I67-G69 PolarHBondContact O-N 2.58Å; G69-D71 VanDerWaalsContact C-N 3.28Å; G69-D71 PolarHBondContact O-N 2.87Å; G69-K72 PolarHBondContact O-N 2.99Å; G69-N331 VanDerWaalsContact CA-ND2 3.31Å; G69-N331 WeakPolarHBondContact CA-ND2 3.44Å; G69-N331 WeakPolarHBondContact CA-OD1 3.49Å
70K92.5Very high94.1Very high56 Ų5630.5 Ų30.524%0.24315%0.152CC..G310 helixtrans-56.1-37.9-17269.1-175.3-178.466.80113.8K72 L73 Y185 I187 R255 L328 N331K70-K72 PolarHBondContact O-N 3.42Å; K70-K72 VanDerWaalsContact O-N 3.13Å; K70-L73 PolarHBondContact O-N 3.47Å; K70-L73 VanDerWaalsContact O-N 3.12Å; K70-Y185 HydrophobicContact CD-CD1 3.6Å; K70-Y185 HydrophobicContact CD-CG 4.35Å; K70-I187 HydrophobicContact CB-CD1 4.17Å; K70-I187 HydrophobicContact CB-CG1 4.33Å; K70-R255 PolarHBondContact O-NH1 3.23Å; K70-L328 HydrophobicContact CB-CD2 3.64Å; K70-L328 HydrophobicContact CD-CD2 4.32Å; K70-N331 PolarHBondContact N-ND2 2.89Å
71D92.6Very high94.3Very high111 Ų11127.2 Ų27.259%0.59414%0.135SC*.G310 helixtrans-70.3-13.9-172.4-59-34.1000112.7G69 R255G69-D71 VanDerWaalsContact C-N 3.28Å; G69-D71 PolarHBondContact O-N 2.87Å; D71-R255 PolarHBondContact O-NE 3.29Å
72K93.9Very high94.4Very high109 Ų10926.2 Ų26.247%0.47413%0.13SC..G310 helixtrans-109.55.4176.9-71-173.5177.1-177.50114G69 K70 R255 P256 N257G69-K72 PolarHBondContact O-N 2.99Å; K70-K72 PolarHBondContact O-N 3.42Å; K70-K72 VanDerWaalsContact O-N 3.13Å; K72-R255 WeakPolarHBondContact O-CB 3.35Å; K72-P256 HydrophobicContact CB-CG 3.95Å; K72-P256 HydrophobicContact CD-CG 4.24Å; K72-P256 HydrophobicContact CG-CG 4.17Å; K72-P256 WeakPolarHBondContact O-CD 3.23Å; K72-N257 VanDerWaalsContact O-CB 3.26Å; K72-N257 WeakPolarHBondContact O-CB 3.26Å; K72-N257 PolarHBondContact O-N 3.47Å
73L95.3Very high94.7Very high1 Ų126.2 Ų26.21%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-106.7131.5-178.3177.563.7000111.9L65 K70 I75 I187 R255 N257 I324 I327L65-L73 HydrophobicContact CD2-CD1 4.16Å; K70-L73 PolarHBondContact O-N 3.47Å; K70-L73 VanDerWaalsContact O-N 3.12Å; L73-I75 HydrophobicContact CG-CD1 4.42Å; L73-I187 HydrophobicContact CD2-CD1 4.27Å; L73-I187 WeakPolarHBondContact O-CG2 3.5Å; L73-R255 WeakPolarHBondContact O-CD 3.41Å; L73-R255 PolarHBondContact O-NH1 2.87Å; L73-N257 CarbonylContact C-O 3.58Å; L73-N257 WeakPolarHBondContact CA-O 3.49Å; L73-I324 HydrophobicContact CD2-CD1 3.68Å; L73-I327 HydrophobicContact CD2-CD1 4.29Å; L73-I327 HydrophobicContact CD2-CG2 4.26Å
74E95.7Very high95Very high13 Ų1324.8 Ų24.86%0.06112%0.123CC..EExtended strand (participates in β ladder)trans-123.7161.1163.367.6-175.3137.500111.6P188 R255 N257 V258 L259E74-P188 HydrophobicContact CB-CB 4.27Å; E74-R255 HydrophobicContact CB-CB 3.97Å; E74-R255 HydrophobicContact CB-CG 4.41Å; E74-R255 HydrophobicContact CG-CB 4.02Å; E74-R255 PolarHBondContact OE1-N 3.09Å; E74-R255 VanDerWaalsContact OE1-O 3.1Å; E74-N257 PolarHBondContact N-O 3.28Å; E74-V258 HydrophobicContact CG-CG2 3.78Å; E74-V258 WeakPolarHBondContact O-CA 3.26Å; E74-L259 PolarHBondContact O-N 3.1Å
75I97.2Very high95.2Very high0 Ų024 Ų240%012%0.119CC..EExtended strand (participates in β ladder)trans-110.6131.2176.5-46.6-57.7000108.6L73 F178 L182 I187 P188 V189 L190 L259 L261 I324L73-I75 HydrophobicContact CG-CD1 4.42Å; I75-F178 HydrophobicContact CD1-CZ 4.49Å; I75-F178 HydrophobicContact CG2-CE1 4.27Å; I75-F178 HydrophobicContact CG2-CZ 4.17Å; I75-L182 HydrophobicContact CD1-CD2 3.95Å; I75-L182 HydrophobicContact CG1-CD1 3.74Å; I75-L182 HydrophobicContact CG1-CD2 3.72Å; I75-L182 HydrophobicContact CG1-CG 4.39Å; I75-I187 HydrophobicContact CD1-CG2 4.35Å; I75-I187 HydrophobicContact CG1-CG2 3.97Å; I75-P188 PolarHBondContact N-O 2.63Å; I75-V189 HydrophobicContact CB-CB 4.47Å; I75-V189 HydrophobicContact CB-CG1 4.27Å; I75-V189 HydrophobicContact CB-CG2 4.19Å; I75-V189 HydrophobicContact CG1-CG2 4.26Å; I75-V189 HydrophobicContact CG2-CG1 4.43Å; I75-V189 WeakPolarHBondContact O-CA 3.17Å; I75-L190 PolarHBondContact O-N 3.47Å; I75-L259 HydrophobicContact CD1-CB 3.72Å; I75-L259 HydrophobicContact CD1-CD2 4.14Å; I75-L259 HydrophobicContact CD1-CG 4.45Å; I75-L261 HydrophobicContact CG2-CD1 3.89Å; I75-I324 HydrophobicContact CD1-CD1 3.81Å
76I97.2Very high95.3Very high2 Ų227.1 Ų27.11%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-122.7119.6169.7-54179.4000107.6L190 F192 V258 L259 L260 L261 M270 A271 A274I76-L190 WeakPolarHBondContact CA-O 3.44Å; I76-L190 HydrophobicContact CG1-CB 4.34Å; I76-L190 HydrophobicContact CG1-CD2 4.44Å; I76-L190 HydrophobicContact CG2-CB 4.49Å; I76-L190 HydrophobicContact CG2-CD2 4.1Å; I76-L190 HydrophobicContact CG2-CG 4.42Å; I76-F192 HydrophobicContact CG2-CB 4.4Å; I76-V258 HydrophobicContact CB-CG1 4.08Å; I76-V258 HydrophobicContact CD1-CG1 3.86Å; I76-V258 HydrophobicContact CD1-CG2 4.29Å; I76-V258 HydrophobicContact CG1-CG1 3.78Å; I76-L259 PolarHBondContact N-O 2.91Å; I76-L260 CarbonylContact O-C 3.11Å; I76-L260 VanDerWaalsContact O-CA 3.27Å; I76-L260 WeakPolarHBondContact O-CA 3.35Å; I76-L261 PolarHBondContact O-N 3.39Å; I76-M270 HydrophobicContact CG2-CB 3.62Å; I76-M270 HydrophobicContact CG2-CE 4.34Å; I76-M270 HydrophobicContact CG2-CG 4.46Å; I76-M270 HydrophobicContact CG2-SD 4.24Å; I76-A271 HydrophobicContact CD1-CB 4.2Å; I76-A274 HydrophobicContact CD1-CB 4.45Å
77T98.6Very high95.4Very high0 Ų029.1 Ų29.10%014%0.144CC..EExtended strand (participates in β ladder)trans-133.6140.2-174.6-175.20000111.2T82 L83 V189 L190 V191 F192 L261T77-T82 WeakPolarHBondContact OG1-CG2 3.29Å; T77-L83 HydrophobicContact CG2-CD1 3.81Å; T77-L83 HydrophobicContact CG2-CD2 4.34Å; T77-L83 HydrophobicContact CG2-CG 4.23Å; T77-V189 HydrophobicContact CG2-CG1 4.33Å; T77-L190 PolarHBondContact N-O 2.78Å; T77-V191 HydrophobicContact CG2-CG2 4.03Å; T77-V191 CarbonylContact O-C 3.54Å; T77-V191 VanDerWaalsContact O-CA 3.3Å; T77-V191 WeakPolarHBondContact O-CA 3.42Å; T77-F192 PolarHBondContact O-N 2.93Å; T77-L261 CarbonylContact C-O 3.58Å; T77-L261 VanDerWaalsContact CA-O 3.29Å; T77-L261 WeakPolarHBondContact CA-O 3.19Å; T77-L261 WeakPolarHBondContact OG1-CB 3.36Å
78D98.5Very high95.6Very high4 Ų426.7 Ų26.72%0.02113%0.131CC..  trans-69.7168.9159.7-178.760.1000110.2D80 T82 L83 K242 L261 M270D78-D80 PolarHBondContact OD2-N 2.91Å; D78-T82 HydrophobicContact CB-CG2 4.33Å; D78-L83 WeakPolarHBondContact O-CG 3.32Å; D78-K242 IonicContact OD1-NZ 3.33Å; D78-K242 PolarHBondContact OD1-NZ 2.95Å; D78-L261 PolarHBondContact N-O 3.3Å; D78-M270 HydrophobicContact CB-CE 4.29Å; D78-M270 HydrophobicContact CB-SD 4.34Å
79F98.6Very high95.6Very high0 Ų032.4 Ų32.40%016%0.159CC..  trans-106.3-59.8177.4-177.9-97.1000113.7R81 T82 L83 S84 L169 L171 V191 I200 L204F79-R81 PolarHBondContact O-N 3.33Å; F79-T82 PolarHBondContact O-N 3.08Å; F79-L83 HydrophobicContact CD2-CB 4.1Å; F79-L83 HydrophobicContact CD2-CD1 3.85Å; F79-L83 PolarHBondContact O-N 3.49Å; F79-S84 PolarHBondContact O-N 3.21Å; F79-S84 PolarHBondContact O-OG 3.47Å; F79-L169 HydrophobicContact CE1-CD2 3.99Å; F79-L169 HydrophobicContact CE2-CD2 4.3Å; F79-L169 HydrophobicContact CZ-CD2 3.37Å; F79-L171 HydrophobicContact CE2-CD2 4.34Å; F79-V191 HydrophobicContact CB-CG1 3.87Å; F79-V191 HydrophobicContact CD2-CG1 4.29Å; F79-I200 HydrophobicContact CB-CD1 4.15Å; F79-I200 HydrophobicContact CB-CG1 4.43Å; F79-I200 HydrophobicContact CB-CG2 4.33Å; F79-I200 HydrophobicContact CD1-CB 4.44Å; F79-I200 HydrophobicContact CD1-CD1 4.09Å; F79-I200 HydrophobicContact CD1-CG1 3.6Å; F79-I200 HydrophobicContact CD1-CG2 4.27Å; F79-I200 HydrophobicContact CD2-CG2 3.64Å; F79-I200 HydrophobicContact CE1-CB 4.43Å; F79-I200 HydrophobicContact CE1-CG1 3.82Å; F79-I200 HydrophobicContact CE1-CG2 4.45Å; F79-I200 HydrophobicContact CE2-CG2 3.86Å; F79-I200 HydrophobicContact CG-CB 4.46Å; F79-I200 HydrophobicContact CG-CD1 4.21Å; F79-I200 HydrophobicContact CG-CG1 3.94Å; F79-I200 HydrophobicContact CG-CG2 3.83Å; F79-I200 HydrophobicContact CZ-CB 4.47Å; F79-I200 HydrophobicContact CZ-CG1 4.34Å; F79-I200 HydrophobicContact CZ-CG2 4.22Å; F79-L204 HydrophobicContact CD2-CD2 4.4Å; F79-L204 HydrophobicContact CE2-CD2 3.85Å; F79-L204 HydrophobicContact CE2-CG 4.01Å
80D97.7Very high95.5Very high17 Ų1735.4 Ų35.49%0.09119%0.19CC..THydrogen-bonded Turntrans-72.9124.5-169.3-84.1-45.9000108.9D78 T82 S84 T95 S96D78-D80 PolarHBondContact OD2-N 2.91Å; D80-T82 PolarHBondContact O-N 3.48Å; D80-S84 WeakPolarHBondContact CA-OG 3.34Å; D80-T95 HydrophobicContact CB-CG2 4.19Å; D80-T95 WeakPolarHBondContact OD1-CA 3.33Å; D80-T95 WeakPolarHBondContact OD1-CB 3.46Å; D80-S96 VanDerWaalsContact CG-N 3.35Å; D80-S96 PolarHBondContact OD1-N 3.2Å; D80-S96 WeakPolarHBondContact OD2-CB 3.49Å; D80-S96 PolarHBondContact OD2-N 3.13Å; D80-S96 PolarHBondContact OD2-OG 3.37Å
81R96.9Very high95.4Very high36 Ų3639.8 Ų39.814%0.13621%0.211CC..THydrogen-bonded Turntrans63.50.9-176.4-41-55.5-172.8-170.3-1114.9F79 S84 K85 Y86 V93 R172 D263 N293F79-R81 PolarHBondContact O-N 3.33Å; R81-S84 CarbonylContact C-O 3.56Å; R81-S84 VanDerWaalsContact C-O 3.28Å; R81-S84 WeakPolarHBondContact CA-O 3.48Å; R81-S84 PolarHBondContact N-O 3.28Å; R81-S84 PolarHBondContact N-OG 3.4Å; R81-K85 PolarHBondContact NH1-O 3.3Å; R81-K85 VanDerWaalsContact NH1-O 3.16Å; R81-Y86 PolarHBondContact NH1-O 3.01Å; R81-V93 PolarHBondContact NH1-O 3.36Å; R81-V93 PolarHBondContact NH2-O 2.84Å; R81-R172 PolarHBondContact O-NH1 3.37Å; R81-R172 PolarHBondContact O-NH2 3.44Å; R81-D263 HydrophobicContact CB-CB 4.17Å; R81-D263 VanDerWaalsContact CB-OD2 3.27Å; R81-D263 WeakPolarHBondContact CB-OD2 3.44Å; R81-N293 PolarHBondContact O-ND2 2.96Å; R81-N293 VanDerWaalsContact O-ND2 3.13Å
82T98.5Very high95.4Very high0 Ų039.4 Ų39.40%021%0.209CC..THydrogen-bonded Turntrans-107.8-61.2170.6-63.70000111.7T77 D78 F79 D80 R172 L261 G262 D263 F291 F317T77-T82 WeakPolarHBondContact OG1-CG2 3.29Å; D78-T82 HydrophobicContact CB-CG2 4.33Å; F79-T82 PolarHBondContact O-N 3.08Å; D80-T82 PolarHBondContact O-N 3.48Å; T82-R172 PolarHBondContact O-NH1 3.21Å; T82-L261 HydrophobicContact CG2-CB 4.01Å; T82-G262 WeakPolarHBondContact OG1-CA 3.29Å; T82-D263 WeakPolarHBondContact OG1-CB 3.41Å; T82-D263 PolarHBondContact OG1-N 2.86Å; T82-D263 PolarHBondContact OG1-OD1 3.32Å; T82-F291 HydrophobicContact CG2-CD2 4.12Å; T82-F291 HydrophobicContact CG2-CE2 4.21Å; T82-F317 HydrophobicContact CG2-CZ 4.46Å; T82-F317 WeakPolarHBondContact O-CE2 3.39Å
83L98.6Very high95.5Very high0 Ų034.5 Ų34.50%019%0.188CC..THydrogen-bonded Turntrans-81.6-43.4170.1-69.2168.9000110.7T77 D78 F79 L171 R172 V175 F179 V191 F317T77-L83 HydrophobicContact CG2-CD1 3.81Å; T77-L83 HydrophobicContact CG2-CD2 4.34Å; T77-L83 HydrophobicContact CG2-CG 4.23Å; D78-L83 WeakPolarHBondContact O-CG 3.32Å; F79-L83 HydrophobicContact CD2-CB 4.1Å; F79-L83 HydrophobicContact CD2-CD1 3.85Å; F79-L83 PolarHBondContact O-N 3.49Å; L83-L171 HydrophobicContact CB-CD2 4.37Å; L83-L171 CarbonylContact O-C 3.48Å; L83-L171 WeakPolarHBondContact O-CA 3.49Å; L83-R172 PolarHBondContact O-N 2.96Å; L83-V175 HydrophobicContact CD2-CG1 4.05Å; L83-V175 HydrophobicContact CD2-CG2 4.21Å; L83-F179 HydrophobicContact CD1-CE2 4.31Å; L83-F179 HydrophobicContact CD1-CZ 3.74Å; L83-F179 HydrophobicContact CD2-CE1 4.11Å; L83-F179 HydrophobicContact CD2-CE2 4.21Å; L83-F179 HydrophobicContact CD2-CZ 3.47Å; L83-F179 VanDerWaalsContact CD2-CZ 3.47Å; L83-F179 HydrophobicContact CG-CZ 4.27Å; L83-V191 HydrophobicContact CD1-CG1 4.18Å; L83-V191 HydrophobicContact CD1-CG2 4.1Å; L83-F317 HydrophobicContact CD2-CE1 3.69Å; L83-F317 HydrophobicContact CD2-CZ 3.66Å
84S98.1Very high95.4Very high0 Ų036.5 Ų36.50%020%0.201CC..BIsolated β-bridgetrans-78143173.467.70000111.4F79 D80 R81 V170 R172F79-S84 PolarHBondContact O-N 3.21Å; F79-S84 PolarHBondContact O-OG 3.47Å; D80-S84 WeakPolarHBondContact CA-OG 3.34Å; R81-S84 CarbonylContact C-O 3.56Å; R81-S84 VanDerWaalsContact C-O 3.28Å; R81-S84 WeakPolarHBondContact CA-O 3.48Å; R81-S84 PolarHBondContact N-O 3.28Å; R81-S84 PolarHBondContact N-OG 3.4Å; S84-V170 WeakPolarHBondContact CA-O 3.49Å; S84-R172 PolarHBondContact O-NH1 2.88Å
85K97.2Very high95.4Very high12 Ų1237.9 Ų37.95%0.05221%0.21CC..  trans-60.8152.6176.4-69.7-174-175.4-177.40110.3R81 Q88 V93 V170 L171 R172 D173 S315R81-K85 PolarHBondContact NH1-O 3.3Å; R81-K85 VanDerWaalsContact NH1-O 3.16Å; K85-Q88 VanDerWaalsContact CD-OE1 3.26Å; K85-V93 HydrophobicContact CB-CG2 4.04Å; K85-V93 WeakPolarHBondContact O-CB 3.41Å; K85-V170 HydrophobicContact CD-CG1 3.76Å; K85-V170 HydrophobicContact CG-CG1 4.33Å; K85-V170 PolarHBondContact N-O 3.15Å; K85-L171 VanDerWaalsContact CE-O 3.26Å; K85-L171 WeakPolarHBondContact CE-O 3.34Å; K85-R172 HydrophobicContact CG-CG 3.96Å; K85-D173 VanDerWaalsContact CE-OD1 3.32Å; K85-D173 WeakPolarHBondContact CE-OD1 3.43Å; K85-D173 IonicContact NZ-OD1 3.88Å; K85-D173 PolarHBondContact NZ-OD1 3.28Å; K85-D173 IonicContact NZ-OD2 2.71Å; K85-S315 WeakPolarHBondContact CE-O 3.46Å
86Y95.3Very high95.4Very high66 Ų6637.9 Ų37.926%0.25921%0.21SC..SBendtrans-74.3-47.1167171.9-104.3000111.4R81 L92 V93 N293 E294R81-Y86 PolarHBondContact NH1-O 3.01Å; Y86-L92 HydrophobicContact CD1-CD2 4.25Å; Y86-L92 HydrophobicContact CD2-CD2 4.24Å; Y86-L92 HydrophobicContact CE1-CD2 3.75Å; Y86-L92 HydrophobicContact CE2-CD2 3.74Å; Y86-L92 HydrophobicContact CG-CD2 4.47Å; Y86-L92 VanDerWaalsContact CZ-CD2 3.47Å; Y86-V93 PolarHBondContact O-N 2.93Å; Y86-V93 VanDerWaalsContact O-N 3.08Å; Y86-N293 HydrophobicContact CD1-CB 4.06Å; Y86-N293 HydrophobicContact CD2-CB 3.75Å; Y86-N293 WeakPolarHBondContact CE1-O 3.45Å; Y86-N293 HydrophobicContact CE2-CB 4.4Å; Y86-N293 HydrophobicContact CG-CB 3.56Å; Y86-E294 HydrophobicContact CE2-CB 4.31Å
87C93Very high95.2Very high44 Ų4438.6 Ų38.630%0.29721%0.213SC..EExtended strand (participates in β ladder)trans-139.2144.8-176.4-179.50000109.9G90 E91C87-G90 VanDerWaalsContact SG-CA 3.51Å; C87-E91 CarbonylContact C-O 3.53Å; C87-E91 WeakPolarHBondContact CA-O 3.34Å; C87-E91 PolarHBondContact SG-O 2.96Å
88Q92Very high95Very high58 Ų5839.6 Ų39.627%0.27122%0.223SC..EExtended strand (participates in β ladder)trans-133.6123.5172.7178.563.844.200107.8K85 G90 E91 V93 V170K85-Q88 VanDerWaalsContact CD-OE1 3.26Å; Q88-G90 PolarHBondContact O-N 3.42Å; Q88-G90 VanDerWaalsContact O-N 3.13Å; Q88-E91 PolarHBondContact N-O 2.92Å; Q88-E91 PolarHBondContact O-N 2.96Å; Q88-V93 HydrophobicContact CB-CG2 3.83Å; Q88-V170 HydrophobicContact CG-CG1 4.44Å; Q88-V170 HydrophobicContact CG-CG2 4.37Å
89D89.8Confident94.8Very high148 Ų14839.4 Ų39.479%0.79122%0.222SC*.THydrogen-bonded Turntrans53.132.8179-55.5-46.6000115.1E91D89-E91 VanDerWaalsContact C-N 3.34Å
90G87.6Confident94.6Very high67 Ų6739.4 Ų39.469%0.69122%0.222SC*.THydrogen-bonded Turntrans90.4-9.8179.500000114.6C87 Q88C87-G90 VanDerWaalsContact SG-CA 3.51Å; Q88-G90 PolarHBondContact O-N 3.42Å; Q88-G90 VanDerWaalsContact O-N 3.13Å
91E91.3Very high94.3Very high147 Ų14741.4 Ų41.469%0.68723%0.231SC*.EExtended strand (participates in β ladder)trans-99.4143.7178.2-67-62.4148.800111.3C87 Q88 D89 V93C87-E91 CarbonylContact C-O 3.53Å; C87-E91 WeakPolarHBondContact CA-O 3.34Å; C87-E91 PolarHBondContact SG-O 2.96Å; Q88-E91 PolarHBondContact N-O 2.92Å; Q88-E91 PolarHBondContact O-N 2.96Å; D89-E91 VanDerWaalsContact C-N 3.34Å; E91-V93 PolarHBondContact O-N 2.84Å
92L92.6Very high94Very high104 Ų10442.9 Ų42.955%0.54525%0.247SC..EExtended strand (participates in β ladder)trans-69.2128.3173.8-71.1176.7000109.4Y86Y86-L92 HydrophobicContact CD1-CD2 4.25Å; Y86-L92 HydrophobicContact CD2-CD2 4.24Å; Y86-L92 HydrophobicContact CE1-CD2 3.75Å; Y86-L92 HydrophobicContact CE2-CD2 3.74Å; Y86-L92 HydrophobicContact CG-CD2 4.47Å; Y86-L92 VanDerWaalsContact CZ-CD2 3.47Å
93V94.9Very high93.6Very high6 Ų642.9 Ų42.94%0.03625%0.247CC..PPolyproline II helixtrans-68.5144168175.20000107.5R81 K85 Y86 Q88 E91 L169 V170R81-V93 PolarHBondContact NH1-O 3.36Å; R81-V93 PolarHBondContact NH2-O 2.84Å; K85-V93 HydrophobicContact CB-CG2 4.04Å; K85-V93 WeakPolarHBondContact O-CB 3.41Å; Y86-V93 PolarHBondContact O-N 2.93Å; Y86-V93 VanDerWaalsContact O-N 3.08Å; Q88-V93 HydrophobicContact CB-CG2 3.83Å; E91-V93 PolarHBondContact O-N 2.84Å; V93-L169 HydrophobicContact CG1-CD1 4.11Å; V93-V170 HydrophobicContact CG2-CB 4.25Å; V93-V170 HydrophobicContact CG2-CG2 4.48Å
94P94.5Very high93Very high43 Ų4347.9 Ų47.928%0.27928%0.279SS..PPolyproline II helixtrans-71.5147.2175.828.6-35.2000111.2I99P94-I99 HydrophobicContact CB-CG1 3.85Å; P94-I99 HydrophobicContact CG-CD1 4.41Å; P94-I99 HydrophobicContact CG-CG1 3.68Å
95T95.2Very high92.3Very high41 Ų4153.7 Ų53.725%0.25231%0.306SS..PPolyproline II helixtrans-75.6173.5164.258.50000110.2D80 Y97 G98 I99D80-T95 HydrophobicContact CB-CG2 4.19Å; D80-T95 WeakPolarHBondContact OD1-CA 3.33Å; D80-T95 WeakPolarHBondContact OD1-CB 3.46Å; T95-Y97 VanDerWaalsContact C-N 3.27Å; T95-Y97 PolarHBondContact O-N 3.02Å; T95-G98 CarbonylContact O-C 3.56Å; T95-G98 WeakPolarHBondContact O-CA 3.3Å; T95-G98 PolarHBondContact O-N 2.86Å; T95-G98 PolarHBondContact OG1-N 2.92Å; T95-G98 VanDerWaalsContact OG1-N 3.12Å; T95-I99 WeakPolarHBondContact O-CG1 3.43Å; T95-I99 PolarHBondContact O-N 3.41Å
96S96.7Very high91.9Very high0 Ų053.3 Ų53.30%031%0.305CS..Hα-helixtrans-53.6-42173.159.80000112.9D80 F100 G195 L196D80-S96 VanDerWaalsContact CG-N 3.35Å; D80-S96 PolarHBondContact OD1-N 3.2Å; D80-S96 WeakPolarHBondContact OD2-CB 3.49Å; D80-S96 PolarHBondContact OD2-N 3.13Å; D80-S96 PolarHBondContact OD2-OG 3.37Å; S96-F100 PolarHBondContact O-N 2.92Å; S96-G195 WeakPolarHBondContact OG-CA 3.44Å; S96-L196 PolarHBondContact OG-N 3.03Å; S96-L196 VanDerWaalsContact OG-N 3.08Å
97Y94Very high91.6Very high18 Ų1853.8 Ų53.87%0.07132%0.315CS..Hα-helixtrans-67-41.6170.2-82.7-85000112.6T95 I99 F100 E101 W143 H147 I150 L196T95-Y97 VanDerWaalsContact C-N 3.27Å; T95-Y97 PolarHBondContact O-N 3.02Å; Y97-I99 VanDerWaalsContact C-N 3.27Å; Y97-I99 PolarHBondContact O-N 3.27Å; Y97-F100 WeakPolarHBondContact O-CB 3.29Å; Y97-F100 PolarHBondContact O-N 3.47Å; Y97-F100 VanDerWaalsContact O-N 3.12Å; Y97-E101 WeakPolarHBondContact O-CG 3.02Å; Y97-E101 PolarHBondContact O-N 3.32Å; Y97-W143 HydrophobicContact CD1-CZ3 4.15Å; Y97-W143 AromaticContact CD2-CH2 3.81Å; Y97-W143 HydrophobicContact CD2-CH2 3.81Å; Y97-W143 AromaticContact CD2-CZ3 3.82Å; Y97-W143 HydrophobicContact CD2-CZ3 3.82Å; Y97-W143 HydrophobicContact CE1-CE3 4.2Å; Y97-W143 AromaticContact CE1-CZ3 3.59Å; Y97-W143 HydrophobicContact CE1-CZ3 3.59Å; Y97-W143 HydrophobicContact CE2-CE3 4.04Å; Y97-W143 AromaticContact CE2-CH2 3.43Å; Y97-W143 HydrophobicContact CE2-CH2 3.43Å; Y97-W143 VanDerWaalsContact CE2-CH2 3.43Å; Y97-W143 HydrophobicContact CE2-CZ2 4.46Å; Y97-W143 AromaticContact CE2-CZ3 3.19Å; Y97-W143 HydrophobicContact CE2-CZ3 3.19Å; Y97-W143 HydrophobicContact CG-CH2 4.5Å; Y97-W143 HydrophobicContact CG-CZ3 4.25Å; Y97-W143 AromaticContact CZ-CE3 3.6Å; Y97-W143 AromaticContact CZ-CH2 3.84Å; Y97-W143 AromaticContact CZ-CZ3 3.07Å; Y97-W143 VanDerWaalsContact OH-CE3 3.22Å; Y97-W143 VanDerWaalsContact OH-CZ3 3.24Å; Y97-W143 WeakPolarHBondContact OH-CZ3 3.44Å; Y97-H147 PolarHBondContact OH-NE2 2.98Å; Y97-I150 HydrophobicContact CD1-CD1 4.15Å; Y97-I150 HydrophobicContact CE1-CD1 3.66Å; Y97-L196 HydrophobicContact CD1-CD1 3.81Å; Y97-L196 HydrophobicContact CD1-CD2 4.18Å; Y97-L196 HydrophobicContact CD1-CG 3.86Å; Y97-L196 HydrophobicContact CD2-CG 4.03Å; Y97-L196 HydrophobicContact CE1-CD1 4.01Å; Y97-L196 HydrophobicContact CE1-CD2 3.51Å; Y97-L196 HydrophobicContact CE1-CG 3.69Å; Y97-L196 HydrophobicContact CE2-CD2 4.12Å; Y97-L196 HydrophobicContact CE2-CG 3.87Å; Y97-L196 HydrophobicContact CG-CD1 4.13Å; Y97-L196 HydrophobicContact CG-CG 4.02Å; Y97-L196 VanDerWaalsContact CZ-CD2 3.47Å
98G93.3Very high91.4Very high20 Ų2058.3 Ų58.321%0.20633%0.331CS..Hα-helixtrans-61.3-34.317700000113.3T95 E101 S102T95-G98 CarbonylContact O-C 3.56Å; T95-G98 WeakPolarHBondContact O-CA 3.3Å; T95-G98 PolarHBondContact O-N 2.86Å; T95-G98 PolarHBondContact OG1-N 2.92Å; T95-G98 VanDerWaalsContact OG1-N 3.12Å; G98-E101 PolarHBondContact O-N 2.94Å; G98-S102 PolarHBondContact O-N 3.44Å; G98-S102 VanDerWaalsContact O-N 3.15Å
99I95.1Very high91.5Very high0 Ų060.6 Ų60.60%035%0.35CS..Hα-helixtrans-64-49172.7-70173.6000109.8P94 T95 Y97 E101 S102 T163 V164 L169 V199P94-I99 HydrophobicContact CB-CG1 3.85Å; P94-I99 HydrophobicContact CG-CD1 4.41Å; P94-I99 HydrophobicContact CG-CG1 3.68Å; T95-I99 WeakPolarHBondContact O-CG1 3.43Å; T95-I99 PolarHBondContact O-N 3.41Å; Y97-I99 VanDerWaalsContact C-N 3.27Å; Y97-I99 PolarHBondContact O-N 3.27Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 2.9Å; I99-S102 WeakPolarHBondContact O-CB 3.3Å; I99-S102 PolarHBondContact O-N 3.49Å; I99-S102 VanDerWaalsContact O-N 3.17Å; I99-S102 PolarHBondContact O-OG 3.28Å; I99-T163 HydrophobicContact CG2-CG2 4.38Å; I99-T163 VanDerWaalsContact O-CG2 3.31Å; I99-T163 WeakPolarHBondContact O-CG2 3.21Å; I99-V164 HydrophobicContact CG2-CB 4.5Å; I99-V164 HydrophobicContact CG2-CG2 4.04Å; I99-L169 HydrophobicContact CD1-CB 4.12Å; I99-L169 HydrophobicContact CD1-CD1 3.86Å; I99-L169 HydrophobicContact CD1-CG 4.48Å; I99-V199 HydrophobicContact CB-CG1 3.97Å; I99-V199 HydrophobicContact CD1-CG1 4Å; I99-V199 HydrophobicContact CG2-CG1 3.9Å
100F93.6Very high91.6Very high0 Ų053.9 Ų53.90%032%0.315CS..Hα-helixtrans-59.2-43.8176.2169.7-85.1000112.2S96 Y97 S102 D103 L106 L114 I150 I155 L160 L196 M221S96-F100 PolarHBondContact O-N 2.92Å; Y97-F100 WeakPolarHBondContact O-CB 3.29Å; Y97-F100 PolarHBondContact O-N 3.47Å; Y97-F100 VanDerWaalsContact O-N 3.12Å; F100-S102 PolarHBondContact O-N 3.32Å; F100-D103 VanDerWaalsContact O-CB 3.24Å; F100-D103 WeakPolarHBondContact O-CB 3.21Å; F100-D103 PolarHBondContact O-N 2.96Å; F100-L106 HydrophobicContact CD1-CD2 4.49Å; F100-L106 HydrophobicContact CE1-CD1 3.64Å; F100-L106 HydrophobicContact CE1-CD2 3.97Å; F100-L106 HydrophobicContact CZ-CD1 3.61Å; F100-L114 HydrophobicContact CE1-CD1 4.34Å; F100-I150 HydrophobicContact CD1-CD1 4.44Å; F100-I150 HydrophobicContact CD1-CG1 4.38Å; F100-I150 HydrophobicContact CE1-CB 4.31Å; F100-I150 HydrophobicContact CE1-CD1 4.09Å; F100-I150 HydrophobicContact CE1-CG1 3.57Å; F100-I150 HydrophobicContact CE1-CG2 4.08Å; F100-I150 HydrophobicContact CE2-CG2 3.61Å; F100-I150 HydrophobicContact CZ-CB 3.91Å; F100-I150 HydrophobicContact CZ-CD1 4.39Å; F100-I150 HydrophobicContact CZ-CG1 3.7Å; F100-I150 HydrophobicContact CZ-CG2 3.31Å; F100-I155 HydrophobicContact CD2-CD1 4.11Å; F100-I155 HydrophobicContact CE1-CD1 4.41Å; F100-I155 HydrophobicContact CE2-CD1 3.18Å; F100-I155 HydrophobicContact CE2-CG1 4.46Å; F100-I155 HydrophobicContact CZ-CD1 3.36Å; F100-L160 HydrophobicContact CD2-CD1 4.03Å; F100-L196 HydrophobicContact CB-CD1 3.43Å; F100-L196 VanDerWaalsContact CB-CD1 3.43Å; F100-L196 HydrophobicContact CD1-CD1 4.44Å; F100-L196 HydrophobicContact CD2-CD1 4.13Å; F100-L196 HydrophobicContact CG-CD1 3.75Å; F100-M221 HydrophobicContact CD2-CE 3.81Å; F100-M221 HydrophobicContact CE2-CE 3.97Å
101E91.4Very high91.8Very high59 Ų5953 Ų5328%0.27629%0.292SS..Hα-helixtrans-66-19179.7-72.9176.6-177.500113.3Y97 G98 I99 D103 L114Y97-E101 WeakPolarHBondContact O-CG 3.02Å; Y97-E101 PolarHBondContact O-N 3.32Å; G98-E101 PolarHBondContact O-N 2.94Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 2.9Å; E101-D103 VanDerWaalsContact C-N 3.26Å; E101-D103 PolarHBondContact O-N 2.76Å; E101-L114 HydrophobicContact CG-CD1 4.06Å
102S90.6Very high92Very high67 Ų6748.9 Ų48.947%0.46928%0.279SS..THydrogen-bonded Turntrans-77.8-8.1174.879.70000113.9G98 I99 F100 P104G98-S102 PolarHBondContact O-N 3.44Å; G98-S102 VanDerWaalsContact O-N 3.15Å; I99-S102 WeakPolarHBondContact O-CB 3.3Å; I99-S102 PolarHBondContact O-N 3.49Å; I99-S102 VanDerWaalsContact O-N 3.17Å; I99-S102 PolarHBondContact O-OG 3.28Å; F100-S102 PolarHBondContact O-N 3.32Å; S102-P104 WeakPolarHBondContact O-CD 3.4Å
103D90.3Very high92.1Very high0 Ų046.4 Ų46.40%027%0.269CS..  trans-58124-178.7-163.7-55.3000111.2F100 E101 E105 L106 T159 T163F100-D103 VanDerWaalsContact O-CB 3.24Å; F100-D103 WeakPolarHBondContact O-CB 3.21Å; F100-D103 PolarHBondContact O-N 2.96Å; E101-D103 VanDerWaalsContact C-N 3.26Å; E101-D103 PolarHBondContact O-N 2.76Å; D103-E105 PolarHBondContact O-N 3.13Å; D103-E105 WeakPolarHBondContact OD1-CA 3.49Å; D103-E105 VanDerWaalsContact OD1-CB 3.31Å; D103-E105 WeakPolarHBondContact OD1-CB 3.44Å; D103-E105 PolarHBondContact OD1-N 2.64Å; D103-L106 HydrophobicContact CB-CB 4.34Å; D103-L106 WeakPolarHBondContact O-CB 3.37Å; D103-L106 PolarHBondContact O-N 2.85Å; D103-L106 VanDerWaalsContact O-N 3.09Å; D103-T159 WeakPolarHBondContact OD2-CG2 3.23Å; D103-T163 HydrophobicContact CB-CG2 3.98Å; D103-T163 PolarHBondContact OD2-OG1 2.85Å
104P86.1Confident92.1Very high105 Ų10546.5 Ų46.568%0.68227%0.269SS*.THydrogen-bonded Turntrans-62.2-23178.4-22.933.6000114.2S102 L106S102-P104 WeakPolarHBondContact O-CD 3.4Å; P104-L106 VanDerWaalsContact C-N 3.33Å
105E84Confident92.1Very high122 Ų12248.7 Ų48.757%0.5728%0.277SS*.THydrogen-bonded Turntrans-83.1-10.5178.1-59.4-173175.900112.4D103 T107 T159D103-E105 PolarHBondContact O-N 3.13Å; D103-E105 WeakPolarHBondContact OD1-CA 3.49Å; D103-E105 VanDerWaalsContact OD1-CB 3.31Å; D103-E105 WeakPolarHBondContact OD1-CB 3.44Å; D103-E105 PolarHBondContact OD1-N 2.64Å; E105-T107 PolarHBondContact O-N 3.39Å; E105-T159 HydrophobicContact CB-CG2 4.41Å; E105-T159 HydrophobicContact CG-CG2 3.94Å; E105-T159 VanDerWaalsContact OE2-CG2 3.27Å; E105-T159 WeakPolarHBondContact OE2-CG2 3.33Å; E105-T159 PolarHBondContact OE2-OG1 3.47Å; E105-T159 VanDerWaalsContact OE2-OG1 3.1Å
106L88.7Confident92.1Very high4 Ų451.1 Ų51.12%0.02129%0.289CS..SBendtrans-70.3120.4177-152.378000110.2F100 D103 P104 A110 K111 L114 C153 I155F100-L106 HydrophobicContact CD1-CD2 4.49Å; F100-L106 HydrophobicContact CE1-CD1 3.64Å; F100-L106 HydrophobicContact CE1-CD2 3.97Å; F100-L106 HydrophobicContact CZ-CD1 3.61Å; D103-L106 HydrophobicContact CB-CB 4.34Å; D103-L106 WeakPolarHBondContact O-CB 3.37Å; D103-L106 PolarHBondContact O-N 2.85Å; D103-L106 VanDerWaalsContact O-N 3.09Å; P104-L106 VanDerWaalsContact C-N 3.33Å; L106-A110 HydrophobicContact CG-CB 4.26Å; L106-K111 HydrophobicContact CB-CG 4.4Å; L106-K111 HydrophobicContact CD2-CG 3.75Å; L106-K111 HydrophobicContact CG-CG 4.27Å; L106-K111 VanDerWaalsContact O-CE 3.28Å; L106-K111 WeakPolarHBondContact O-CE 3.17Å; L106-L114 HydrophobicContact CD2-CD1 4.16Å; L106-C153 HydrophobicContact CD1-CB 3.87Å; L106-C153 WeakPolarHBondContact CD1-SG 2.99Å; L106-I155 HydrophobicContact CD1-CD1 3.55Å
107T88.5Confident92.2Very high76 Ų7652.1 Ų52.147%0.46629%0.294SS..  trans-62.8146.9-177.370.10000111.5E105 T109 A110 K111E105-T107 PolarHBondContact O-N 3.39Å; T107-T109 PolarHBondContact O-N 2.91Å; T107-A110 PolarHBondContact O-N 3.27Å; T107-A110 WeakPolarHBondContact OG1-CB 3.35Å; T107-A110 PolarHBondContact OG1-N 2.92Å; T107-A110 VanDerWaalsContact OG1-N 3.11Å; T107-K111 PolarHBondContact O-N 3.34Å
108E89.5Confident92.2Very high139 Ų13957.6 Ų57.665%0.6532%0.315SS*.Hα-helixtrans-58.5-31175.6-68.8-57.2123.800112.4K111 S112E108-K111 IonicContact OE1-NZ 3.93Å; E108-K111 PolarHBondContact OE1-NZ 2.74Å; E108-S112 VanDerWaalsContact O-CB 3.29Å; E108-S112 WeakPolarHBondContact O-CB 3.43Å; E108-S112 PolarHBondContact O-N 3.43Å
109T92.7Very high92.4Very high106 Ų10661.7 Ų61.765%0.6533%0.332SS*.Hα-helixtrans-63.8-48.3172.9-57.20000111.4T107 S112 T113T107-T109 PolarHBondContact O-N 2.91Å; T109-S112 PolarHBondContact O-N 2.99Å; T109-T113 PolarHBondContact O-N 3.26Å; T109-T113 PolarHBondContact O-OG1 2.95Å
110A93.6Very high92.5Very high7 Ų767.2 Ų67.26%0.05836%0.356CS..Hα-helixtrans-62.8-45.6178.200000112L106 T107 S112 T113 L114 V149 C153L106-A110 HydrophobicContact CG-CB 4.26Å; T107-A110 PolarHBondContact O-N 3.27Å; T107-A110 WeakPolarHBondContact OG1-CB 3.35Å; T107-A110 PolarHBondContact OG1-N 2.92Å; T107-A110 VanDerWaalsContact OG1-N 3.11Å; A110-S112 VanDerWaalsContact C-N 3.34Å; A110-S112 PolarHBondContact O-N 3.13Å; A110-T113 PolarHBondContact O-N 3Å; A110-L114 WeakPolarHBondContact O-CG 3.14Å; A110-L114 PolarHBondContact O-N 2.92Å; A110-V149 HydrophobicContact CB-CG1 3.93Å; A110-C153 WeakPolarHBondContact CB-SG 3.33Å
111K91.9Very high92.7Very high49 Ų4967.2 Ų67.221%0.21336%0.356CS..Hα-helixtrans-54.9-49.4174.5-72.2178.1-172.9169.50111.6L106 T107 E108 T113 L114 I115L106-K111 HydrophobicContact CB-CG 4.4Å; L106-K111 HydrophobicContact CD2-CG 3.75Å; L106-K111 HydrophobicContact CG-CG 4.27Å; L106-K111 VanDerWaalsContact O-CE 3.28Å; L106-K111 WeakPolarHBondContact O-CE 3.17Å; T107-K111 PolarHBondContact O-N 3.34Å; E108-K111 IonicContact OE1-NZ 3.93Å; E108-K111 PolarHBondContact OE1-NZ 2.74Å; K111-T113 VanDerWaalsContact C-N 3.34Å; K111-T113 PolarHBondContact O-N 3.27Å; K111-L114 PolarHBondContact O-N 3.34Å; K111-I115 WeakPolarHBondContact O-CB 3.35Å; K111-I115 WeakPolarHBondContact O-CD1 3.16Å; K111-I115 VanDerWaalsContact O-CG1 3.26Å; K111-I115 WeakPolarHBondContact O-CG1 3.45Å; K111-I115 PolarHBondContact O-N 3.39Å
112S94Very high92.8Very high60 Ų6067.3 Ų67.342%0.4235%0.354SS..Hα-helixtrans-60.9-42.4178.4-174.50000112E108 T109 A110 I115 N116E108-S112 VanDerWaalsContact O-CB 3.29Å; E108-S112 WeakPolarHBondContact O-CB 3.43Å; E108-S112 PolarHBondContact O-N 3.43Å; T109-S112 PolarHBondContact O-N 2.99Å; A110-S112 VanDerWaalsContact C-N 3.34Å; A110-S112 PolarHBondContact O-N 3.13Å; S112-I115 PolarHBondContact O-N 3.45Å; S112-N116 WeakPolarHBondContact O-CB 3.41Å; S112-N116 PolarHBondContact O-N 3.45Å; S112-N116 PolarHBondContact O-ND2 3.11Å
113T96.1Very high93Very high53 Ų5367.8 Ų67.833%0.32536%0.355SS..Hα-helixtrans-63.6-46.1177-570000111.9T109 A110 K111 I115 N116 L117 V149T109-T113 PolarHBondContact O-N 3.26Å; T109-T113 PolarHBondContact O-OG1 2.95Å; A110-T113 PolarHBondContact O-N 3Å; K111-T113 VanDerWaalsContact C-N 3.34Å; K111-T113 PolarHBondContact O-N 3.27Å; T113-I115 VanDerWaalsContact C-N 3.35Å; T113-I115 PolarHBondContact O-N 2.74Å; T113-N116 PolarHBondContact O-N 3.37Å; T113-N116 VanDerWaalsContact O-N 3.15Å; T113-L117 HydrophobicContact CG2-CD1 4.42Å; T113-L117 WeakPolarHBondContact O-CG 3.33Å; T113-L117 PolarHBondContact O-N 3.4Å; T113-V149 HydrophobicContact CG2-CG1 4.49Å; T113-V149 HydrophobicContact CG2-CG2 3.58Å
114L94.8Very high93.3Very high8 Ų869.4 Ų69.44%0.04236%0.364CS..Hα-helixtrans-61-42.4177.3-68.7171.8000111.8F100 E101 L106 A110 K111 N116 L117 R118 A146 V149 I150F100-L114 HydrophobicContact CE1-CD1 4.34Å; E101-L114 HydrophobicContact CG-CD1 4.06Å; L106-L114 HydrophobicContact CD2-CD1 4.16Å; A110-L114 WeakPolarHBondContact O-CG 3.14Å; A110-L114 PolarHBondContact O-N 2.92Å; K111-L114 PolarHBondContact O-N 3.34Å; L114-N116 VanDerWaalsContact C-N 3.34Å; L114-N116 PolarHBondContact O-N 3.41Å; L114-L117 HydrophobicContact CD2-CD1 4.5Å; L114-L117 PolarHBondContact O-N 3.42Å; L114-R118 PolarHBondContact O-N 2.89Å; L114-A146 HydrophobicContact CD2-CB 4.09Å; L114-V149 HydrophobicContact CD1-CG1 4.49Å; L114-V149 HydrophobicContact CD2-CB 4.14Å; L114-V149 HydrophobicContact CD2-CG1 4.06Å; L114-V149 HydrophobicContact CG-CG1 3.94Å; L114-I150 HydrophobicContact CD1-CG1 4.43Å; L114-I150 HydrophobicContact CD2-CG1 4.3Å
115I93.3Very high93.6Very high88 Ų8866.4 Ų66.445%0.45134%0.341SS..Hα-helixtrans-60.3-43.5173.9-69.9165.3000111K111 S112 T113 R118 N119K111-I115 WeakPolarHBondContact O-CB 3.35Å; K111-I115 WeakPolarHBondContact O-CD1 3.16Å; K111-I115 VanDerWaalsContact O-CG1 3.26Å; K111-I115 WeakPolarHBondContact O-CG1 3.45Å; K111-I115 PolarHBondContact O-N 3.39Å; S112-I115 PolarHBondContact O-N 3.45Å; T113-I115 VanDerWaalsContact C-N 3.35Å; T113-I115 PolarHBondContact O-N 2.74Å; I115-R118 PolarHBondContact O-N 3.01Å; I115-N119 WeakPolarHBondContact O-CB 3.35Å; I115-N119 PolarHBondContact O-N 2.88Å; I115-N119 PolarHBondContact O-ND2 2.85Å
116N96.9Very high93.9Very high93 Ų9364.9 Ų64.950%0.49734%0.336SS..Hα-helixtrans-65.5-40178.5-70.9-33.2000112.3S112 T113 L114 N119 K120S112-N116 WeakPolarHBondContact O-CB 3.41Å; S112-N116 PolarHBondContact O-N 3.45Å; S112-N116 PolarHBondContact O-ND2 3.11Å; T113-N116 PolarHBondContact O-N 3.37Å; T113-N116 VanDerWaalsContact O-N 3.15Å; L114-N116 VanDerWaalsContact C-N 3.34Å; L114-N116 PolarHBondContact O-N 3.41Å; N116-N119 PolarHBondContact O-N 3.3Å; N116-K120 PolarHBondContact O-N 2.91Å
117L97.5Very high93.9Very high20 Ų2067.2 Ų67.211%0.10535%0.348CS..Hα-helixtrans-60.4-49.7173-69.1172.9000110.3T113 L114 N119 K120 Y121 L145 A146 V149T113-L117 HydrophobicContact CG2-CD1 4.42Å; T113-L117 WeakPolarHBondContact O-CG 3.33Å; T113-L117 PolarHBondContact O-N 3.4Å; L114-L117 HydrophobicContact CD2-CD1 4.5Å; L114-L117 PolarHBondContact O-N 3.42Å; L117-N119 VanDerWaalsContact C-N 3.34Å; L117-N119 PolarHBondContact O-N 3.33Å; L117-K120 WeakPolarHBondContact O-CB 3.39Å; L117-K120 PolarHBondContact O-N 3.08Å; L117-K120 VanDerWaalsContact O-N 3.07Å; L117-Y121 HydrophobicContact CB-CD2 4.46Å; L117-Y121 HydrophobicContact CD2-CD2 4.44Å; L117-Y121 HydrophobicContact CD2-CE2 3.9Å; L117-Y121 WeakPolarHBondContact O-CD2 3.36Å; L117-Y121 PolarHBondContact O-N 3.45Å; L117-L145 HydrophobicContact CD1-CB 3.95Å; L117-L145 HydrophobicContact CD2-CB 3.83Å; L117-L145 HydrophobicContact CD2-CD1 3.81Å; L117-L145 HydrophobicContact CD2-CG 4.47Å; L117-A146 HydrophobicContact CD1-CB 4.27Å; L117-V149 HydrophobicContact CD1-CG2 4.41Å
118R95Very high93.8Very high134 Ų13468.8 Ų68.851%0.50635%0.354SS..Hα-helixtrans-56.7-46.6176.4-175.4-179177.8-156.8-1.7112.1L114 I115 K120 Y121 Y122 W142L114-R118 PolarHBondContact O-N 2.89Å; I115-R118 PolarHBondContact O-N 3.01Å; R118-K120 PolarHBondContact O-N 2.97Å; R118-Y121 PolarHBondContact O-N 3.29Å; R118-Y122 WeakPolarHBondContact O-CB 3.3Å; R118-Y122 PolarHBondContact O-N 2.88Å; R118-W142 HydrophobicContact CB-CZ2 4.06Å; R118-W142 HydrophobicContact CG-CZ2 4.11Å
119N96.5Very high93.9Very high106 Ų10669.2 Ų69.257%0.56736%0.361SS*.Hα-helixtrans-62-29.7178.9-71.9-21.8000112.9I115 N116 L117 P123I115-N119 WeakPolarHBondContact O-CB 3.35Å; I115-N119 PolarHBondContact O-N 2.88Å; I115-N119 PolarHBondContact O-ND2 2.85Å; N116-N119 PolarHBondContact O-N 3.3Å; L117-N119 VanDerWaalsContact C-N 3.34Å; L117-N119 PolarHBondContact O-N 3.33Å; N119-P123 WeakPolarHBondContact O-CD 3.43Å; N119-P123 WeakPolarHBondContact O-CG 3.28Å
120K97.7Very high93.9Very high115 Ų11566.7 Ų66.750%0.534%0.343SS..Hα-helixtrans-77.8-47.5176.4179.9-177.4172.7-1640112.1N116 L117 R118N116-K120 PolarHBondContact O-N 2.91Å; L117-K120 WeakPolarHBondContact O-CB 3.39Å; L117-K120 PolarHBondContact O-N 3.08Å; L117-K120 VanDerWaalsContact O-N 3.07Å; R118-K120 PolarHBondContact O-N 2.97Å
121Y97.8Very high93.8Very high0 Ų070.1 Ų70.10%036%0.363CS..Hα-helixtrans-97.7-31.2-166-69.3-75.4000114.7L117 R118 I124 E125 Y138 E141 W142 L145L117-Y121 HydrophobicContact CB-CD2 4.46Å; L117-Y121 HydrophobicContact CD2-CD2 4.44Å; L117-Y121 HydrophobicContact CD2-CE2 3.9Å; L117-Y121 WeakPolarHBondContact O-CD2 3.36Å; L117-Y121 PolarHBondContact O-N 3.45Å; R118-Y121 PolarHBondContact O-N 3.29Å; Y121-I124 HydrophobicContact CD1-CD1 4.28Å; Y121-I124 WeakPolarHBondContact O-CA 3.47Å; Y121-I124 WeakPolarHBondContact O-CB 3.3Å; Y121-I124 PolarHBondContact O-N 3.43Å; Y121-E125 PolarHBondContact O-N 3.27Å; Y121-Y138 WeakPolarHBondContact CD1-O 3.49Å; Y121-Y138 HydrophobicContact CE1-CD1 4.37Å; Y121-Y138 WeakPolarHBondContact CE1-O 3.33Å; Y121-E141 HydrophobicContact CE1-CB 4.37Å; Y121-E141 WeakPolarHBondContact CE1-OE2 3.45Å; Y121-E141 WeakPolarHBondContact OH-CG 3.31Å; Y121-E141 PolarHBondContact OH-OE1 3.48Å; Y121-E141 PolarHBondContact OH-OE2 3.32Å; Y121-W142 VanDerWaalsContact CB-CE3 3.42Å; Y121-W142 HydrophobicContact CD1-CB 3.83Å; Y121-W142 HydrophobicContact CD1-CG 4.42Å; Y121-W142 HydrophobicContact CD2-CB 3.52Å; Y121-W142 AromaticContact CD2-CD1 3.56Å; Y121-W142 HydrophobicContact CD2-CD2 4.18Å; Y121-W142 AromaticContact CD2-CG 3.45Å; Y121-W142 HydrophobicContact CD2-CG 3.45Å; Y121-W142 VanDerWaalsContact CD2-CG 3.45Å; Y121-W142 HydrophobicContact CE1-CB 4.25Å; Y121-W142 HydrophobicContact CE2-CB 4.01Å; Y121-W142 HydrophobicContact CE2-CG 4.27Å; Y121-W142 HydrophobicContact CG-CB 3.46Å; Y121-W142 VanDerWaalsContact CG-CB 3.46Å; Y121-W142 AromaticContact CG-CD2 4Å; Y121-W142 HydrophobicContact CG-CD2 4Å; Y121-W142 HydrophobicContact CG-CE3 4.38Å; Y121-W142 AromaticContact CG-CG 3.57Å; Y121-W142 HydrophobicContact CG-CG 3.57Å; Y121-L145 HydrophobicContact CE2-CD1 4.26Å
122Y93.9Very high93.8Very high61 Ų6171.4 Ų71.424%0.23937%0.37CS..Hα-helixtrans-59.4-39.9-179.8-170.9-117.3000113.2R118 I124 E125 L126 W142R118-Y122 WeakPolarHBondContact O-CB 3.3Å; R118-Y122 PolarHBondContact O-N 2.88Å; Y122-I124 PolarHBondContact O-N 3.09Å; Y122-E125 WeakPolarHBondContact O-CB 3.42Å; Y122-E125 PolarHBondContact O-N 2.85Å; Y122-L126 HydrophobicContact CD1-CD1 4.05Å; Y122-L126 HydrophobicContact CE1-CD1 3.49Å; Y122-L126 VanDerWaalsContact CE1-CD1 3.49Å; Y122-L126 HydrophobicContact CE1-CG 4.28Å; Y122-L126 HydrophobicContact CE2-CD1 4.31Å; Y122-L126 HydrophobicContact CE2-CD2 4.4Å; Y122-L126 HydrophobicContact CE2-CG 4.28Å; Y122-L126 PolarHBondContact O-N 2.92Å; Y122-L126 VanDerWaalsContact O-N 3.14Å; Y122-W142 HydrophobicContact CD2-CH2 4.26Å
123P95Very high93.7Very high77 Ų7775.2 Ų75.250%0.539%0.386SS..Hα-helixtrans-60-32.8172.6-2536.1000113.7N119 L126 D127N119-P123 WeakPolarHBondContact O-CD 3.43Å; N119-P123 WeakPolarHBondContact O-CG 3.28Å; P123-L126 PolarHBondContact O-N 2.83Å; P123-D127 PolarHBondContact O-N 3.02Å; P123-D127 VanDerWaalsContact O-N 3.11Å
124I96.3Very high93.7Very high35 Ų3577.3 Ų77.318%0.17939%0.392CS..Hα-helixtrans-71.4-41.6177.8-55.8174.6000110.1Y121 Y122 L126 D127 L130 K135 Y138Y121-I124 HydrophobicContact CD1-CD1 4.28Å; Y121-I124 WeakPolarHBondContact O-CA 3.47Å; Y121-I124 WeakPolarHBondContact O-CB 3.3Å; Y121-I124 PolarHBondContact O-N 3.43Å; Y122-I124 PolarHBondContact O-N 3.09Å; I124-L126 VanDerWaalsContact C-N 3.25Å; I124-L126 PolarHBondContact O-N 2.83Å; I124-D127 PolarHBondContact O-N 2.71Å; I124-L130 HydrophobicContact CG2-CD1 3.87Å; I124-K135 HydrophobicContact CG2-CG 4.5Å; I124-K135 WeakPolarHBondContact O-CD 3.23Å; I124-K135 WeakPolarHBondContact O-CE 3.34Å; I124-Y138 HydrophobicContact CD1-CD1 3.9Å; I124-Y138 HydrophobicContact CD1-CE1 4.35Å; I124-Y138 HydrophobicContact CD1-CG 4.18Å; I124-Y138 HydrophobicContact CG2-CD2 3.94Å; I124-Y138 HydrophobicContact CG2-CG 3.98Å
125E92.8Very high93.8Very high41 Ų4177.4 Ų77.419%0.19239%0.392CS..Hα-helixtrans-55.1-43.6174.4-171.2-174.6158.100111.3Y121 Y122 K135 M139 W142 V239 F240Y121-E125 PolarHBondContact O-N 3.27Å; Y122-E125 WeakPolarHBondContact O-CB 3.42Å; Y122-E125 PolarHBondContact O-N 2.85Å; E125-K135 PolarHBondContact O-NZ 3.07Å; E125-M139 HydrophobicContact CB-CE 4.01Å; E125-M139 HydrophobicContact CB-SD 3.86Å; E125-M139 HydrophobicContact CG-SD 3.92Å; E125-W142 WeakPolarHBondContact OE2-CZ3 3.28Å; E125-V239 HydrophobicContact CG-CG1 3.93Å; E125-F240 HydrophobicContact CG-CE2 4.18Å; E125-F240 HydrophobicContact CG-CZ 3.93Å
126L88.4Confident93.9Very high90 Ų9074.9 Ų74.947%0.47138%0.381SS..Hα-helixtrans-82.7-10.5-178.2-61.7-175.9000114.8Y122 P123 I124 N128Y122-L126 HydrophobicContact CD1-CD1 4.05Å; Y122-L126 HydrophobicContact CE1-CD1 3.49Å; Y122-L126 VanDerWaalsContact CE1-CD1 3.49Å; Y122-L126 HydrophobicContact CE1-CG 4.28Å; Y122-L126 HydrophobicContact CE2-CD1 4.31Å; Y122-L126 HydrophobicContact CE2-CD2 4.4Å; Y122-L126 HydrophobicContact CE2-CG 4.28Å; Y122-L126 PolarHBondContact O-N 2.92Å; Y122-L126 VanDerWaalsContact O-N 3.14Å; P123-L126 PolarHBondContact O-N 2.83Å; I124-L126 VanDerWaalsContact C-N 3.25Å; I124-L126 PolarHBondContact O-N 2.83Å; L126-N128 PolarHBondContact O-N 2.89Å
127D89.3Confident93.9Very high53 Ų5374 Ų7428%0.28338%0.38SS..  trans-66.7108.2-171.7-169.7-11.9000112.2P123 I124 N129 L130 K135P123-D127 PolarHBondContact O-N 3.02Å; P123-D127 VanDerWaalsContact O-N 3.11Å; I124-D127 PolarHBondContact O-N 2.71Å; D127-N129 PolarHBondContact O-N 2.92Å; D127-N129 VanDerWaalsContact OD1-CB 3.28Å; D127-N129 WeakPolarHBondContact OD1-CB 3.27Å; D127-N129 PolarHBondContact OD1-N 2.82Å; D127-N129 PolarHBondContact OD1-ND2 3.49Å; D127-L130 HydrophobicContact CB-CD1 4.16Å; D127-L130 HydrophobicContact CB-CG 4.26Å; D127-L130 PolarHBondContact O-N 2.84Å; D127-K135 WeakPolarHBondContact O-CE 3.4Å; D127-K135 PolarHBondContact O-NZ 2.81Å
128N85.8Confident93.9Very high110 Ų11078 Ų7859%0.58839%0.394SS*.THydrogen-bonded Turntrans-71.6-6.8179.6-70.6-50.2000113.8L126 K302L126-N128 PolarHBondContact O-N 2.89Å; N128-K302 PolarHBondContact OD1-NZ 3.26Å
129N91.7Very high94Very high147 Ų14771.6 Ų71.679%0.78637%0.37SS*.THydrogen-bonded Turntrans-86-13.5174.8-53.8-67.4000113.1D127D127-N129 PolarHBondContact O-N 2.92Å; D127-N129 VanDerWaalsContact OD1-CB 3.28Å; D127-N129 WeakPolarHBondContact OD1-CB 3.27Å; D127-N129 PolarHBondContact OD1-N 2.82Å; D127-N129 PolarHBondContact OD1-ND2 3.49Å
130L93.2Very high94Very high54 Ų5469.3 Ų69.328%0.28336%0.358SS..SBendtrans-102.6137.8177.4-61.9177.2000110.5I124 D127 E134 K135I124-L130 HydrophobicContact CG2-CD1 3.87Å; D127-L130 HydrophobicContact CB-CD1 4.16Å; D127-L130 HydrophobicContact CB-CG 4.26Å; D127-L130 PolarHBondContact O-N 2.84Å; L130-E134 HydrophobicContact CB-CB 4.38Å; L130-E134 HydrophobicContact CD2-CB 4.43Å; L130-K135 HydrophobicContact CB-CD 4.4Å; L130-K135 HydrophobicContact CB-CG 3.82Å; L130-K135 HydrophobicContact CD1-CG 4.35Å; L130-K135 VanDerWaalsContact O-CE 3.29Å; L130-K135 WeakPolarHBondContact O-CE 3.35Å
131T92.6Very high94Very high78 Ų7867.7 Ų67.748%0.47935%0.352SS..  trans-72159.8170.264.30000111.2N133 E134 K135T131-N133 PolarHBondContact O-N 3.22Å; T131-E134 WeakPolarHBondContact CB-OE2 3.29Å; T131-E134 WeakPolarHBondContact CG2-OE2 3.14Å; T131-E134 PolarHBondContact N-OE2 3.37Å; T131-E134 PolarHBondContact O-N 2.92Å; T131-E134 VanDerWaalsContact OG1-CD 3.29Å; T131-E134 VanDerWaalsContact OG1-CG 3.28Å; T131-E134 WeakPolarHBondContact OG1-CG 3.4Å; T131-E134 PolarHBondContact OG1-N 3.26Å; T131-E134 PolarHBondContact OG1-OE2 2.84Å; T131-K135 WeakPolarHBondContact O-CG 3.17Å; T131-K135 PolarHBondContact O-N 3.39Å
132E90.6Very high93.9Very high76 Ų7668.7 Ų68.736%0.35536%0.356SS..Hα-helixtrans-58.5-36.9176.7-64178.316800112.4E134 K135 T136 F240 H269E132-E134 VanDerWaalsContact C-N 3.34Å; E132-E134 PolarHBondContact O-N 3.09Å; E132-K135 PolarHBondContact O-N 3.39Å; E132-T136 WeakPolarHBondContact O-CB 3.49Å; E132-T136 PolarHBondContact O-N 2.74Å; E132-T136 PolarHBondContact O-OG1 2.9Å; E132-F240 HydrophobicContact CB-CB 4.49Å; E132-F240 HydrophobicContact CB-CD1 4.18Å; E132-F240 HydrophobicContact CB-CG 4.38Å; E132-F240 HydrophobicContact CG-CD1 3.85Å; E132-F240 HydrophobicContact CG-CE1 4.25Å; E132-H269 IonicContact OE1-NE2 2.81Å; E132-H269 IonicContact OE2-NE2 3.56Å
133N92.5Very high94Very high141 Ų14167.1 Ų67.175%0.75435%0.349SS*.Hα-helixtrans-64.8-37.6175.6-72.8-25.1000112.2T131 P137T131-N133 PolarHBondContact O-N 3.22Å; N133-P137 VanDerWaalsContact O-CD 3.29Å; N133-P137 WeakPolarHBondContact O-CD 3.47Å
134E96.3Very high94.1Very high96 Ų9668.5 Ų68.545%0.44935%0.349SS..Hα-helixtrans-71.2-33.5175.6-71.9163.9135.300111.9L130 T131 E132 P137 Y138L130-E134 HydrophobicContact CB-CB 4.38Å; L130-E134 HydrophobicContact CD2-CB 4.43Å; T131-E134 WeakPolarHBondContact CB-OE2 3.29Å; T131-E134 WeakPolarHBondContact CG2-OE2 3.14Å; T131-E134 PolarHBondContact N-OE2 3.37Å; T131-E134 PolarHBondContact O-N 2.92Å; T131-E134 VanDerWaalsContact OG1-CD 3.29Å; T131-E134 VanDerWaalsContact OG1-CG 3.28Å; T131-E134 WeakPolarHBondContact OG1-CG 3.4Å; T131-E134 PolarHBondContact OG1-N 3.26Å; T131-E134 PolarHBondContact OG1-OE2 2.84Å; E132-E134 VanDerWaalsContact C-N 3.34Å; E132-E134 PolarHBondContact O-N 3.09Å; E134-P137 WeakPolarHBondContact O-CD 3.24Å; E134-P137 WeakPolarHBondContact O-CG 3.37Å; E134-Y138 VanDerWaalsContact O-CD2 3.26Å; E134-Y138 WeakPolarHBondContact O-CD2 3.49Å; E134-Y138 WeakPolarHBondContact O-CE2 3.48Å
135K95.9Very high94.2Very high10 Ų1069.5 Ų69.54%0.04336%0.355CS..Hα-helixtrans-76.7-31.2177.9-66.4177.2-177.6-177.30113.7I124 E125 D127 L130 T131 E132 Y138 M139 F240I124-K135 HydrophobicContact CG2-CG 4.5Å; I124-K135 WeakPolarHBondContact O-CD 3.23Å; I124-K135 WeakPolarHBondContact O-CE 3.34Å; E125-K135 PolarHBondContact O-NZ 3.07Å; D127-K135 WeakPolarHBondContact O-CE 3.4Å; D127-K135 PolarHBondContact O-NZ 2.81Å; L130-K135 HydrophobicContact CB-CD 4.4Å; L130-K135 HydrophobicContact CB-CG 3.82Å; L130-K135 HydrophobicContact CD1-CG 4.35Å; L130-K135 VanDerWaalsContact O-CE 3.29Å; L130-K135 WeakPolarHBondContact O-CE 3.35Å; T131-K135 WeakPolarHBondContact O-CG 3.17Å; T131-K135 PolarHBondContact O-N 3.39Å; E132-K135 PolarHBondContact O-N 3.39Å; K135-Y138 WeakPolarHBondContact O-CB 3.41Å; K135-Y138 PolarHBondContact O-N 3.47Å; K135-M139 PolarHBondContact O-N 2.98Å; K135-F240 HydrophobicContact CB-CD2 3.87Å; K135-F240 HydrophobicContact CB-CE2 3.5Å; K135-F240 HydrophobicContact CB-CZ 4.2Å; K135-F240 HydrophobicContact CD-CE1 4.31Å; K135-F240 HydrophobicContact CD-CE2 3.69Å; K135-F240 HydrophobicContact CD-CZ 3.51Å; K135-F240 HydrophobicContact CG-CE2 4.25Å
136T95.1Very high94.3Very high36 Ų3667.7 Ų67.722%0.22135%0.347CS..Hα-helixtrans-49-51-176.5-68.80000114.4E132 Y138 M139 L140E132-T136 WeakPolarHBondContact O-CB 3.49Å; E132-T136 PolarHBondContact O-N 2.74Å; E132-T136 PolarHBondContact O-OG1 2.9Å; T136-Y138 VanDerWaalsContact C-N 3.27Å; T136-Y138 PolarHBondContact O-N 2.77Å; T136-M139 PolarHBondContact O-N 3.15Å; T136-M139 VanDerWaalsContact O-N 3.14Å; T136-L140 HydrophobicContact CG2-CD1 4.21Å; T136-L140 PolarHBondContact O-N 3.49Å
137P97.4Very high94.7Very high73 Ų7363.9 Ų63.947%0.47433%0.326SS..Hα-helixtrans-61.7-33.4178.923.6-34.5000113.2N133 E134 E141N133-P137 VanDerWaalsContact O-CD 3.29Å; N133-P137 WeakPolarHBondContact O-CD 3.47Å; E134-P137 WeakPolarHBondContact O-CD 3.24Å; E134-P137 WeakPolarHBondContact O-CG 3.37Å; P137-E141 WeakPolarHBondContact O-CB 3.41Å; P137-E141 PolarHBondContact O-N 3.29Å
138Y97.9Very high95Very high104 Ų10466.5 Ų66.541%0.40834%0.337SS..Hα-helixtrans-70.6-36.4176.1-64.2-77.8000112.4Y121 I124 E134 K135 T136 W142Y121-Y138 WeakPolarHBondContact CD1-O 3.49Å; Y121-Y138 HydrophobicContact CE1-CD1 4.37Å; Y121-Y138 WeakPolarHBondContact CE1-O 3.33Å; I124-Y138 HydrophobicContact CD1-CD1 3.9Å; I124-Y138 HydrophobicContact CD1-CE1 4.35Å; I124-Y138 HydrophobicContact CD1-CG 4.18Å; I124-Y138 HydrophobicContact CG2-CD2 3.94Å; I124-Y138 HydrophobicContact CG2-CG 3.98Å; E134-Y138 VanDerWaalsContact O-CD2 3.26Å; E134-Y138 WeakPolarHBondContact O-CD2 3.49Å; E134-Y138 WeakPolarHBondContact O-CE2 3.48Å; K135-Y138 WeakPolarHBondContact O-CB 3.41Å; K135-Y138 PolarHBondContact O-N 3.47Å; T136-Y138 VanDerWaalsContact C-N 3.27Å; T136-Y138 PolarHBondContact O-N 2.77Å; Y138-W142 WeakPolarHBondContact O-CB 3.27Å; Y138-W142 PolarHBondContact O-N 3.29Å
139M96.8Very high95.5Very high0 Ų062.1 Ų62.10%031%0.314CS..Hα-helixtrans-68.1-40175.8-63.6-57.294.500111.3E125 K135 T136 W142 W143 H238 F240E125-M139 HydrophobicContact CB-CE 4.01Å; E125-M139 HydrophobicContact CB-SD 3.86Å; E125-M139 HydrophobicContact CG-SD 3.92Å; K135-M139 PolarHBondContact O-N 2.98Å; T136-M139 PolarHBondContact O-N 3.15Å; T136-M139 VanDerWaalsContact O-N 3.14Å; M139-W142 HydrophobicContact CE-CE3 3.98Å; M139-W142 PolarHBondContact O-N 3.42Å; M139-W142 HydrophobicContact SD-CE3 3.91Å; M139-W142 HydrophobicContact SD-CZ3 4.25Å; M139-W143 PolarHBondContact O-N 3.46Å; M139-H238 HydrophobicContact CB-CB 4.11Å; M139-F240 HydrophobicContact CG-CD2 3.57Å; M139-F240 HydrophobicContact CG-CE2 3.56Å; M139-F240 HydrophobicContact SD-CE2 4.09Å
140L96.1Very high95.6Very high59 Ų5955.1 Ų55.131%0.30928%0.277SS..Hα-helixtrans-60.6-50.4173.6-70.6171.5000111.1T136 W142 W143 E144 I236T136-L140 HydrophobicContact CG2-CD1 4.21Å; T136-L140 PolarHBondContact O-N 3.49Å; L140-W142 VanDerWaalsContact C-N 3.31Å; L140-W142 PolarHBondContact O-N 2.92Å; L140-W143 PolarHBondContact O-N 2.85Å; L140-E144 WeakPolarHBondContact O-CB 3.32Å; L140-E144 VanDerWaalsContact O-CG 3.3Å; L140-E144 WeakPolarHBondContact O-CG 3.43Å; L140-E144 PolarHBondContact O-N 3.2Å; L140-I236 HydrophobicContact CD2-CB 4.48Å
141E97.7Very high95.7Very high80 Ų8055 Ų5537%0.37428%0.276SS..Hα-helixtrans-58.7-42.6177.5-168.7-167.9-167.100111.6Y121 P137 L145Y121-E141 HydrophobicContact CE1-CB 4.37Å; Y121-E141 WeakPolarHBondContact CE1-OE2 3.45Å; Y121-E141 WeakPolarHBondContact OH-CG 3.31Å; Y121-E141 PolarHBondContact OH-OE1 3.48Å; Y121-E141 PolarHBondContact OH-OE2 3.32Å; P137-E141 WeakPolarHBondContact O-CB 3.41Å; P137-E141 PolarHBondContact O-N 3.29Å; E141-L145 HydrophobicContact CG-CD1 4.01Å; E141-L145 WeakPolarHBondContact O-CB 3.38Å; E141-L145 VanDerWaalsContact O-CG 3.24Å; E141-L145 WeakPolarHBondContact O-CG 3.16Å; E141-L145 PolarHBondContact O-N 2.95Å
142W97.5Very high95.8Very high21 Ų2159.1 Ų59.18%0.0829%0.29CS..Hα-helixtrans-59.6-52.4177.7-17711.1000111.8R118 Y121 Y122 E125 Y138 M139 L140 L145 A146R118-W142 HydrophobicContact CB-CZ2 4.06Å; R118-W142 HydrophobicContact CG-CZ2 4.11Å; Y121-W142 VanDerWaalsContact CB-CE3 3.42Å; Y121-W142 HydrophobicContact CD1-CB 3.83Å; Y121-W142 HydrophobicContact CD1-CG 4.42Å; Y121-W142 HydrophobicContact CD2-CB 3.52Å; Y121-W142 AromaticContact CD2-CD1 3.56Å; Y121-W142 HydrophobicContact CD2-CD2 4.18Å; Y121-W142 AromaticContact CD2-CG 3.45Å; Y121-W142 HydrophobicContact CD2-CG 3.45Å; Y121-W142 VanDerWaalsContact CD2-CG 3.45Å; Y121-W142 HydrophobicContact CE1-CB 4.25Å; Y121-W142 HydrophobicContact CE2-CB 4.01Å; Y121-W142 HydrophobicContact CE2-CG 4.27Å; Y121-W142 HydrophobicContact CG-CB 3.46Å; Y121-W142 VanDerWaalsContact CG-CB 3.46Å; Y121-W142 AromaticContact CG-CD2 4Å; Y121-W142 HydrophobicContact CG-CD2 4Å; Y121-W142 HydrophobicContact CG-CE3 4.38Å; Y121-W142 AromaticContact CG-CG 3.57Å; Y121-W142 HydrophobicContact CG-CG 3.57Å; Y122-W142 HydrophobicContact CD2-CH2 4.26Å; E125-W142 WeakPolarHBondContact OE2-CZ3 3.28Å; Y138-W142 WeakPolarHBondContact O-CB 3.27Å; Y138-W142 PolarHBondContact O-N 3.29Å; M139-W142 HydrophobicContact CE-CE3 3.98Å; M139-W142 PolarHBondContact O-N 3.42Å; M139-W142 HydrophobicContact SD-CE3 3.91Å; M139-W142 HydrophobicContact SD-CZ3 4.25Å; L140-W142 VanDerWaalsContact C-N 3.31Å; L140-W142 PolarHBondContact O-N 2.92Å; W142-L145 PolarHBondContact O-N 3.39Å; W142-A146 WeakPolarHBondContact O-CB 3.25Å; W142-A146 PolarHBondContact O-N 2.87Å
143W96.1Very high95.8Very high29 Ų2957.2 Ų57.211%0.1128%0.284CS..Hα-helixtrans-69.8-35.3-176.1-70.2118.7000112.4Y97 M139 L140 A146 H147 I236 H238Y97-W143 HydrophobicContact CD1-CZ3 4.15Å; Y97-W143 AromaticContact CD2-CH2 3.81Å; Y97-W143 HydrophobicContact CD2-CH2 3.81Å; Y97-W143 AromaticContact CD2-CZ3 3.82Å; Y97-W143 HydrophobicContact CD2-CZ3 3.82Å; Y97-W143 HydrophobicContact CE1-CE3 4.2Å; Y97-W143 AromaticContact CE1-CZ3 3.59Å; Y97-W143 HydrophobicContact CE1-CZ3 3.59Å; Y97-W143 HydrophobicContact CE2-CE3 4.04Å; Y97-W143 AromaticContact CE2-CH2 3.43Å; Y97-W143 HydrophobicContact CE2-CH2 3.43Å; Y97-W143 VanDerWaalsContact CE2-CH2 3.43Å; Y97-W143 HydrophobicContact CE2-CZ2 4.46Å; Y97-W143 AromaticContact CE2-CZ3 3.19Å; Y97-W143 HydrophobicContact CE2-CZ3 3.19Å; Y97-W143 HydrophobicContact CG-CH2 4.5Å; Y97-W143 HydrophobicContact CG-CZ3 4.25Å; Y97-W143 AromaticContact CZ-CE3 3.6Å; Y97-W143 AromaticContact CZ-CH2 3.84Å; Y97-W143 AromaticContact CZ-CZ3 3.07Å; Y97-W143 VanDerWaalsContact OH-CE3 3.22Å; Y97-W143 VanDerWaalsContact OH-CZ3 3.24Å; Y97-W143 WeakPolarHBondContact OH-CZ3 3.44Å; M139-W143 PolarHBondContact O-N 3.46Å; L140-W143 PolarHBondContact O-N 2.85Å; W143-A146 HydrophobicContact CE3-CB 4.31Å; W143-A146 PolarHBondContact O-N 3.44Å; W143-H147 VanDerWaalsContact O-CB 3.27Å; W143-H147 WeakPolarHBondContact O-CB 3.34Å; W143-H147 PolarHBondContact O-CD2 2.64Å; W143-H147 PolarHBondContact O-N 3.5Å; W143-I236 HydrophobicContact CB-CD1 4.41Å; W143-I236 HydrophobicContact CB-CG2 3.54Å; W143-I236 HydrophobicContact CG-CG2 4.05Å; W143-H238 VanDerWaalsContact NE1-CB 3.34Å
144E96.9Very high95.6Very high105 Ų10551.2 Ų51.249%0.49126%0.255SS..Hα-helixtrans-57.2-52.6171.1-75.2175.817600110.8L140 A146 H147 E148 I236L140-E144 WeakPolarHBondContact O-CB 3.32Å; L140-E144 VanDerWaalsContact O-CG 3.3Å; L140-E144 WeakPolarHBondContact O-CG 3.43Å; L140-E144 PolarHBondContact O-N 3.2Å; E144-A146 PolarHBondContact O-N 3.19Å; E144-H147 PolarHBondContact O-N 2.72Å; E144-E148 WeakPolarHBondContact O-CG 3.03Å; E144-E148 PolarHBondContact O-N 3.46Å; E144-I236 HydrophobicContact CB-CD1 4.39Å; E144-I236 HydrophobicContact CG-CD1 3.43Å; E144-I236 VanDerWaalsContact CG-CD1 3.43Å
145L97.6Very high95.3Very high57 Ų5746.8 Ų46.830%0.29824%0.235SC..Hα-helixtrans-64-39.8179.1-68.9170.9000112.5L117 Y121 E141 W142 E148 V149L117-L145 HydrophobicContact CD1-CB 3.95Å; L117-L145 HydrophobicContact CD2-CB 3.83Å; L117-L145 HydrophobicContact CD2-CD1 3.81Å; L117-L145 HydrophobicContact CD2-CG 4.47Å; Y121-L145 HydrophobicContact CE2-CD1 4.26Å; E141-L145 HydrophobicContact CG-CD1 4.01Å; E141-L145 WeakPolarHBondContact O-CB 3.38Å; E141-L145 VanDerWaalsContact O-CG 3.24Å; E141-L145 WeakPolarHBondContact O-CG 3.16Å; E141-L145 PolarHBondContact O-N 2.95Å; W142-L145 PolarHBondContact O-N 3.39Å; L145-E148 PolarHBondContact O-N 3.13Å; L145-V149 WeakPolarHBondContact O-CG2 3.37Å; L145-V149 PolarHBondContact O-N 2.85Å
146A95.9Very high95.3Very high3 Ų349 Ų493%0.02525%0.245CC..Hα-helixtrans-65-43.5177.500000111L114 L117 W142 W143 E144 V149 I150L114-A146 HydrophobicContact CD2-CB 4.09Å; L117-A146 HydrophobicContact CD1-CB 4.27Å; W142-A146 WeakPolarHBondContact O-CB 3.25Å; W142-A146 PolarHBondContact O-N 2.87Å; W143-A146 HydrophobicContact CE3-CB 4.31Å; W143-A146 PolarHBondContact O-N 3.44Å; E144-A146 PolarHBondContact O-N 3.19Å; A146-V149 PolarHBondContact O-N 3.38Å; A146-I150 WeakPolarHBondContact O-CD1 3.39Å; A146-I150 WeakPolarHBondContact O-CG1 3.25Å; A146-I150 PolarHBondContact O-N 2.93Å
147H95.7Very high95.3Very high10 Ų1051.9 Ų51.95%0.04626%0.255CS..Hα-helixtrans-63.1-41.4177.1-72-179.3000111.8Y97 W143 E144 V149 I150 I151 F232Y97-H147 PolarHBondContact OH-NE2 2.98Å; W143-H147 VanDerWaalsContact O-CB 3.27Å; W143-H147 WeakPolarHBondContact O-CB 3.34Å; W143-H147 PolarHBondContact O-CD2 2.64Å; W143-H147 PolarHBondContact O-N 3.5Å; E144-H147 PolarHBondContact O-N 2.72Å; H147-V149 PolarHBondContact O-N 3.1Å; H147-I150 PolarHBondContact O-N 3.46Å; H147-I151 WeakPolarHBondContact O-CD1 3.46Å; H147-I151 WeakPolarHBondContact O-CG1 3.5Å; H147-I151 PolarHBondContact O-N 2.92Å; H147-F232 HydrophobicContact CB-CD2 3.6Å; H147-F232 HydrophobicContact CB-CE2 3.76Å; H147-F232 HydrophobicContact CB-CG 4.38Å; H147-F232 AromaticContact CD2-CE2 3.83Å; H147-F232 AromaticContact CD2-CZ 3.88Å; H147-F232 AromaticContact CE1-CD1 3.95Å; H147-F232 AromaticContact CE1-CG 3.92Å; H147-F232 AromaticContact CG-CD2 3.51Å; H147-F232 AromaticContact CG-CE2 3.7Å; H147-F232 AromaticContact CG-CG 3.85Å; H147-F232 AromaticContact ND1-CD2 3.74Å; H147-F232 AromaticContact ND1-CG 3.61Å
148E96.3Very high95.2Very high108 Ų10854.2 Ų54.251%0.50526%0.259SS..Hα-helixtrans-56.4-49.7174.3-75.3178.7173.700111.7E144 L145 I150 I151 E152E144-E148 WeakPolarHBondContact O-CG 3.03Å; E144-E148 PolarHBondContact O-N 3.46Å; L145-E148 PolarHBondContact O-N 3.13Å; E148-I150 VanDerWaalsContact C-N 3.3Å; E148-I150 PolarHBondContact O-N 2.95Å; E148-I151 PolarHBondContact O-N 3.18Å; E148-E152 WeakPolarHBondContact O-CG 3.5Å; E148-E152 PolarHBondContact O-N 2.51Å
149V95.6Very high94.9Very high18 Ų1849.7 Ų49.711%0.10924%0.242CC..Hα-helixtrans-60.1-41.9177.7175.30000111.4A110 T113 L114 L117 L145 A146 H147 E152 C153A110-V149 HydrophobicContact CB-CG1 3.93Å; T113-V149 HydrophobicContact CG2-CG1 4.49Å; T113-V149 HydrophobicContact CG2-CG2 3.58Å; L114-V149 HydrophobicContact CD1-CG1 4.49Å; L114-V149 HydrophobicContact CD2-CB 4.14Å; L114-V149 HydrophobicContact CD2-CG1 4.06Å; L114-V149 HydrophobicContact CG-CG1 3.94Å; L117-V149 HydrophobicContact CD1-CG2 4.41Å; L145-V149 WeakPolarHBondContact O-CG2 3.37Å; L145-V149 PolarHBondContact O-N 2.85Å; A146-V149 PolarHBondContact O-N 3.38Å; H147-V149 PolarHBondContact O-N 3.1Å; V149-E152 PolarHBondContact O-N 3.02Å; V149-C153 PolarHBondContact O-N 2.95Å; V149-C153 PolarHBondContact O-SG 2.84Å
150I94.1Very high94.8Very high0 Ų049.7 Ų49.70%024%0.243CC..Hα-helixtrans-65-42.5179-68.2168.5000111Y97 F100 L114 A146 H147 E148 C153 M221 L229 F232Y97-I150 HydrophobicContact CD1-CD1 4.15Å; Y97-I150 HydrophobicContact CE1-CD1 3.66Å; F100-I150 HydrophobicContact CD1-CD1 4.44Å; F100-I150 HydrophobicContact CD1-CG1 4.38Å; F100-I150 HydrophobicContact CE1-CB 4.31Å; F100-I150 HydrophobicContact CE1-CD1 4.09Å; F100-I150 HydrophobicContact CE1-CG1 3.57Å; F100-I150 HydrophobicContact CE1-CG2 4.08Å; F100-I150 HydrophobicContact CE2-CG2 3.61Å; F100-I150 HydrophobicContact CZ-CB 3.91Å; F100-I150 HydrophobicContact CZ-CD1 4.39Å; F100-I150 HydrophobicContact CZ-CG1 3.7Å; F100-I150 HydrophobicContact CZ-CG2 3.31Å; L114-I150 HydrophobicContact CD1-CG1 4.43Å; L114-I150 HydrophobicContact CD2-CG1 4.3Å; A146-I150 WeakPolarHBondContact O-CD1 3.39Å; A146-I150 WeakPolarHBondContact O-CG1 3.25Å; A146-I150 PolarHBondContact O-N 2.93Å; H147-I150 PolarHBondContact O-N 3.46Å; E148-I150 VanDerWaalsContact C-N 3.3Å; E148-I150 PolarHBondContact O-N 2.95Å; I150-C153 WeakPolarHBondContact O-CB 3.19Å; I150-C153 PolarHBondContact O-N 3.43Å; I150-M221 HydrophobicContact CG2-CE 4.32Å; I150-L229 HydrophobicContact CG2-CD2 3.51Å; I150-F232 HydrophobicContact CB-CE2 4.26Å; I150-F232 HydrophobicContact CB-CZ 4.41Å; I150-F232 HydrophobicContact CD1-CZ 4.42Å; I150-F232 HydrophobicContact CG2-CE2 3.92Å; I150-F232 HydrophobicContact CG2-CZ 3.79Å
151I94.7Very high94.8Very high52 Ų5250.5 Ų50.527%0.26725%0.245SC..Hα-helixtrans-63.1-43.6176.2-66.8158.6000110.7H147 E148 C153 G154 L229 F232H147-I151 WeakPolarHBondContact O-CD1 3.46Å; H147-I151 WeakPolarHBondContact O-CG1 3.5Å; H147-I151 PolarHBondContact O-N 2.92Å; E148-I151 PolarHBondContact O-N 3.18Å; I151-C153 PolarHBondContact O-N 3.48Å; I151-G154 PolarHBondContact O-N 3.24Å; I151-L229 HydrophobicContact CG1-CG 4.41Å; I151-F232 HydrophobicContact CD1-CD2 4.15Å; I151-F232 HydrophobicContact CG1-CD2 4.19Å; I151-F232 HydrophobicContact CG1-CE2 4.18Å
152E94.1Very high94.7Very high164 Ų16452.2 Ų52.277%0.76625%0.251SS*.Hα-helixtrans-61.9-28.6179.9-75.9-176.4172.100113.2E148 V149 G154E148-E152 WeakPolarHBondContact O-CG 3.5Å; E148-E152 PolarHBondContact O-N 2.51Å; V149-E152 PolarHBondContact O-N 3.02Å; E152-G154 PolarHBondContact O-N 3.42Å
153C90.6Very high94.6Very high35 Ų3551.5 Ų51.524%0.23625%0.249CC..THydrogen-bonded Turntrans-61.9-23.5173.6-64.80000112.6L106 A110 V149 I150 I151 I155L106-C153 HydrophobicContact CD1-CB 3.87Å; L106-C153 WeakPolarHBondContact CD1-SG 2.99Å; A110-C153 WeakPolarHBondContact CB-SG 3.33Å; V149-C153 PolarHBondContact O-N 2.95Å; V149-C153 PolarHBondContact O-SG 2.84Å; I150-C153 WeakPolarHBondContact O-CB 3.19Å; I150-C153 PolarHBondContact O-N 3.43Å; I151-C153 PolarHBondContact O-N 3.48Å; C153-I155 VanDerWaalsContact C-N 3.26Å; C153-I155 HydrophobicContact CB-CD1 4.36Å; C153-I155 HydrophobicContact CB-CG1 4.26Å; C153-I155 PolarHBondContact O-N 3.01Å
154G89.1Confident94.5Very high15 Ų1550.4 Ų50.416%0.15525%0.245CC..THydrogen-bonded Turntrans63.930.9175.600000113.9I151 E152 K228I151-G154 PolarHBondContact O-N 3.24Å; E152-G154 PolarHBondContact O-N 3.42Å; G154-K228 VanDerWaalsContact CA-CE 3.44Å
155I91.2Very high94.4Very high4 Ų452.1 Ų52.12%0.02125%0.251CS..  trans-55141.3-179.6-80169.2000110.9F100 L106 C153 L160 L229F100-I155 HydrophobicContact CD2-CD1 4.11Å; F100-I155 HydrophobicContact CE1-CD1 4.41Å; F100-I155 HydrophobicContact CE2-CD1 3.18Å; F100-I155 HydrophobicContact CE2-CG1 4.46Å; F100-I155 HydrophobicContact CZ-CD1 3.36Å; L106-I155 HydrophobicContact CD1-CD1 3.55Å; C153-I155 VanDerWaalsContact C-N 3.26Å; C153-I155 HydrophobicContact CB-CD1 4.36Å; C153-I155 HydrophobicContact CB-CG1 4.26Å; C153-I155 PolarHBondContact O-N 3.01Å; I155-L160 HydrophobicContact CG2-CB 4.23Å; I155-L229 WeakPolarHBondContact O-CB 3.41Å; I155-L229 PolarHBondContact O-N 2.76Å
156Q94.4Very high94.2Very high55 Ų5554.5 Ų54.526%0.25726%0.261SS..BIsolated β-bridgetrans-90.7141.7174.5-61.5-67.3-27.300110.1H158 T159 L160 N226 G227Q156-H158 WeakPolarHBondContact CB-CE1 3.31Å; Q156-H158 WeakPolarHBondContact CB-ND1 3.41Å; Q156-H158 PolarHBondContact O-N 3.05Å; Q156-T159 WeakPolarHBondContact O-CB 3.45Å; Q156-T159 PolarHBondContact O-N 2.84Å; Q156-L160 PolarHBondContact O-N 2.8Å; Q156-N226 PolarHBondContact OE1-O 2.74Å; Q156-G227 CarbonylContact C-O 3.52Å; Q156-G227 WeakPolarHBondContact CA-O 3.35Å; Q156-G227 PolarHBondContact OE1-O 2.74Å
157K95.2Very high93.9Very high97 Ų9755.5 Ų55.542%0.42227%0.268SS..Hα-helixtrans-52-42.8177.8-174.5176.1177.7176.70112.4T159 L160 E161 F223 G227K157-T159 PolarHBondContact O-N 2.7Å; K157-L160 WeakPolarHBondContact O-CB 3.47Å; K157-L160 PolarHBondContact O-N 2.92Å; K157-E161 WeakPolarHBondContact CE-OE1 3.46Å; K157-E161 WeakPolarHBondContact O-CG 3.29Å; K157-E161 PolarHBondContact O-N 2.86Å; K157-F223 HydrophobicContact CB-CD1 3.81Å; K157-F223 HydrophobicContact CB-CD2 4.42Å; K157-F223 HydrophobicContact CB-CE1 3.84Å; K157-F223 HydrophobicContact CB-CE2 4.44Å; K157-F223 HydrophobicContact CB-CG 4.11Å; K157-F223 HydrophobicContact CB-CZ 4.16Å; K157-F223 HydrophobicContact CD-CD2 4.24Å; K157-F223 HydrophobicContact CD-CG 4.47Å; K157-F223 HydrophobicContact CG-CD2 4.36Å; K157-F223 HydrophobicContact CG-CE1 4.47Å; K157-F223 HydrophobicContact CG-CE2 4.24Å; K157-F223 HydrophobicContact CG-CZ 4.3Å; K157-G227 PolarHBondContact N-O 3.25Å
158H94.8Very high93.1Very high123 Ų12362.3 Ų62.357%0.56930%0.299SS*.Hα-helixtrans-68.5-31.8179.571.7-89.7000113.2Q156 K162Q156-H158 WeakPolarHBondContact CB-CE1 3.31Å; Q156-H158 WeakPolarHBondContact CB-ND1 3.41Å; Q156-H158 PolarHBondContact O-N 3.05Å; H158-K162 PolarHBondContact O-N 3.12Å; H158-K162 VanDerWaalsContact O-N 3.12Å
159T93.3Very high92.9Very high8 Ų858.8 Ų58.85%0.04928%0.284CS..Hα-helixtrans-67.2-45.1173.1-50.40000109.5D103 E105 Q156 K157 E161 K162 T163D103-T159 WeakPolarHBondContact OD2-CG2 3.23Å; E105-T159 HydrophobicContact CB-CG2 4.41Å; E105-T159 HydrophobicContact CG-CG2 3.94Å; E105-T159 VanDerWaalsContact OE2-CG2 3.27Å; E105-T159 WeakPolarHBondContact OE2-CG2 3.33Å; E105-T159 PolarHBondContact OE2-OG1 3.47Å; E105-T159 VanDerWaalsContact OE2-OG1 3.1Å; Q156-T159 WeakPolarHBondContact O-CB 3.45Å; Q156-T159 PolarHBondContact O-N 2.84Å; K157-T159 PolarHBondContact O-N 2.7Å; T159-E161 PolarHBondContact O-N 2.82Å; T159-K162 WeakPolarHBondContact O-CB 3.48Å; T159-K162 PolarHBondContact O-N 2.99Å; T159-K162 VanDerWaalsContact O-N 3.12Å; T159-T163 PolarHBondContact O-N 3.37Å; T159-T163 PolarHBondContact O-OG1 2.95Å
160L94.8Very high92.9Very high1 Ų160 Ų601%0.00529%0.291CS..Hα-helixtrans-57.1-48.3175.4-175.968.7000111.6F100 I155 Q156 K157 K162 T163 V164 D198 V199 L202 M221 F223F100-L160 HydrophobicContact CD2-CD1 4.03Å; I155-L160 HydrophobicContact CG2-CB 4.23Å; Q156-L160 PolarHBondContact O-N 2.8Å; K157-L160 WeakPolarHBondContact O-CB 3.47Å; K157-L160 PolarHBondContact O-N 2.92Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.13Å; L160-T163 PolarHBondContact O-N 3.09Å; L160-T163 VanDerWaalsContact O-N 3.15Å; L160-V164 HydrophobicContact CD1-CG2 4.44Å; L160-V164 HydrophobicContact CG-CG2 4.41Å; L160-V164 VanDerWaalsContact O-CG2 3.32Å; L160-V164 WeakPolarHBondContact O-CG2 3.45Å; L160-V164 PolarHBondContact O-N 3.2Å; L160-D198 HydrophobicContact CD2-CB 3.89Å; L160-V199 HydrophobicContact CD1-CG2 3.86Å; L160-L202 HydrophobicContact CG-CD1 4.49Å; L160-M221 HydrophobicContact CD2-CE 4.29Å; L160-M221 HydrophobicContact CD2-SD 3.73Å; L160-F223 HydrophobicContact CD2-CZ 4.07Å
161E95.2Very high93.1Very high76 Ų7661.3 Ų61.336%0.35530%0.298SS..Hα-helixtrans-55.2-42.6176.3-73.1172.9-169.900112.2K157 T159 K165 L202K157-E161 WeakPolarHBondContact CE-OE1 3.46Å; K157-E161 WeakPolarHBondContact O-CG 3.29Å; K157-E161 PolarHBondContact O-N 2.86Å; T159-E161 PolarHBondContact O-N 2.82Å; E161-K165 WeakPolarHBondContact O-CB 3.4Å; E161-K165 PolarHBondContact O-N 3.02Å; E161-K165 VanDerWaalsContact O-N 3.12Å; E161-L202 HydrophobicContact CB-CD1 4.45Å; E161-L202 HydrophobicContact CG-CD1 3.81Å; E161-L202 HydrophobicContact CG-CD2 3.84Å; E161-L202 HydrophobicContact CG-CG 4.5Å
162K95.2Very high93.2Very high116 Ų11659.1 Ų59.150%0.50429%0.286SS..Hα-helixtrans-64.7-48.3175.6-176.7-172.1170.1-164.20111.6H158 T159 L160 V164 K165 E166H158-K162 PolarHBondContact O-N 3.12Å; H158-K162 VanDerWaalsContact O-N 3.12Å; T159-K162 WeakPolarHBondContact O-CB 3.48Å; T159-K162 PolarHBondContact O-N 2.99Å; T159-K162 VanDerWaalsContact O-N 3.12Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.13Å; K162-V164 VanDerWaalsContact C-N 3.35Å; K162-V164 PolarHBondContact O-N 3.3Å; K162-K165 WeakPolarHBondContact O-CB 3.28Å; K162-K165 PolarHBondContact O-N 3.22Å; K162-E166 VanDerWaalsContact CE-CD 3.48Å; K162-E166 WeakPolarHBondContact CE-OE1 3.41Å; K162-E166 WeakPolarHBondContact CE-OE2 3.49Å; K162-E166 HydrophobicContact CG-CG 4.45Å; K162-E166 WeakPolarHBondContact O-CG 3.33Å; K162-E166 PolarHBondContact O-N 3.14Å
163T95.1Very high93.3Very high6 Ų655.1 Ų55.14%0.03727%0.27CS..Hα-helixtrans-59-45.4179.9-63.80000111.3I99 D103 T159 L160 K165 E166 S167I99-T163 HydrophobicContact CG2-CG2 4.38Å; I99-T163 VanDerWaalsContact O-CG2 3.31Å; I99-T163 WeakPolarHBondContact O-CG2 3.21Å; D103-T163 HydrophobicContact CB-CG2 3.98Å; D103-T163 PolarHBondContact OD2-OG1 2.85Å; T159-T163 PolarHBondContact O-N 3.37Å; T159-T163 PolarHBondContact O-OG1 2.95Å; L160-T163 PolarHBondContact O-N 3.09Å; L160-T163 VanDerWaalsContact O-N 3.15Å; T163-K165 PolarHBondContact O-N 3Å; T163-E166 PolarHBondContact O-N 3.37Å; T163-S167 WeakPolarHBondContact O-CB 3.37Å; T163-S167 PolarHBondContact O-N 3.06Å
164V95.8Very high93.6Very high6 Ų656.8 Ų56.84%0.03627%0.273CS..Hα-helixtrans-61.2-45.9176.9178.50000111I99 L160 K162 E166 S167 V199 L202 S203I99-V164 HydrophobicContact CG2-CB 4.5Å; I99-V164 HydrophobicContact CG2-CG2 4.04Å; L160-V164 HydrophobicContact CD1-CG2 4.44Å; L160-V164 HydrophobicContact CG-CG2 4.41Å; L160-V164 VanDerWaalsContact O-CG2 3.32Å; L160-V164 WeakPolarHBondContact O-CG2 3.45Å; L160-V164 PolarHBondContact O-N 3.2Å; K162-V164 VanDerWaalsContact C-N 3.35Å; K162-V164 PolarHBondContact O-N 3.3Å; V164-E166 VanDerWaalsContact C-N 3.3Å; V164-E166 PolarHBondContact O-N 2.58Å; V164-S167 PolarHBondContact O-N 2.76Å; V164-S167 PolarHBondContact O-OG 3.11Å; V164-V199 HydrophobicContact CG2-CB 4.24Å; V164-V199 HydrophobicContact CG2-CG1 4.01Å; V164-V199 HydrophobicContact CG2-CG2 4.06Å; V164-L202 HydrophobicContact CB-CB 4.21Å; V164-L202 HydrophobicContact CB-CD1 4.48Å; V164-L202 HydrophobicContact CG1-CB 3.78Å; V164-L202 HydrophobicContact CG2-CB 4.33Å; V164-L202 HydrophobicContact CG2-CD1 4.09Å; V164-S203 WeakPolarHBondContact CG1-OG 3.34Å
165K93.5Very high94.1Very high141 Ų14156.1 Ų56.161%0.61327%0.266SS*.Hα-helixtrans-61.1-37.2178.7-174.2179.6178-178.50113E161 K162 T163E161-K165 WeakPolarHBondContact O-CB 3.4Å; E161-K165 PolarHBondContact O-N 3.02Å; E161-K165 VanDerWaalsContact O-N 3.12Å; K162-K165 WeakPolarHBondContact O-CB 3.28Å; K162-K165 PolarHBondContact O-N 3.22Å; T163-K165 PolarHBondContact O-N 3Å
166E93.5Very high94.4Very high107 Ų10758.7 Ų58.750%0.528%0.284SS..Hα-helixtrans-84.2-17-178.8-69.3177.2176.900113.1K162 T163 V164 H168K162-E166 VanDerWaalsContact CE-CD 3.48Å; K162-E166 WeakPolarHBondContact CE-OE1 3.41Å; K162-E166 WeakPolarHBondContact CE-OE2 3.49Å; K162-E166 HydrophobicContact CG-CG 4.45Å; K162-E166 WeakPolarHBondContact O-CG 3.33Å; K162-E166 PolarHBondContact O-N 3.14Å; T163-E166 PolarHBondContact O-N 3.37Å; V164-E166 VanDerWaalsContact C-N 3.3Å; V164-E166 PolarHBondContact O-N 2.58Å; E166-H168 PolarHBondContact O-CD2 2.86Å; E166-H168 PolarHBondContact O-N 3.02Å
167S89.7Confident94.6Very high24 Ų2459.5 Ų59.517%0.16829%0.288CS..SBendtrans-68.1-17.6-17872.60000115.3T163 V164 L169T163-S167 WeakPolarHBondContact O-CB 3.37Å; T163-S167 PolarHBondContact O-N 3.06Å; V164-S167 PolarHBondContact O-N 2.76Å; V164-S167 PolarHBondContact O-OG 3.11Å; S167-L169 VanDerWaalsContact C-N 3.32Å; S167-L169 PolarHBondContact O-N 2.81Å
168H80.1Confident94.7Very high152 Ų15254.9 Ų54.970%0.70427%0.268SS*.  trans50.146.7-177.4-61.1-64.6000113.8E166 V170E166-H168 PolarHBondContact O-CD2 2.86Å; E166-H168 PolarHBondContact O-N 3.02Å; H168-V170 WeakPolarHBondContact O-CG2 3.25Å; H168-V170 PolarHBondContact O-N 2.79Å
169L90.7Very high94.9Very high35 Ų3549.1 Ų49.118%0.18324%0.241CC..  trans-47.1131.6172.6-178.180.1000110.9F79 V93 I99 S167 L171F79-L169 HydrophobicContact CE1-CD2 3.99Å; F79-L169 HydrophobicContact CE2-CD2 4.3Å; F79-L169 HydrophobicContact CZ-CD2 3.37Å; V93-L169 HydrophobicContact CG1-CD1 4.11Å; I99-L169 HydrophobicContact CD1-CB 4.12Å; I99-L169 HydrophobicContact CD1-CD1 3.86Å; I99-L169 HydrophobicContact CD1-CG 4.48Å; S167-L169 VanDerWaalsContact C-N 3.32Å; S167-L169 PolarHBondContact O-N 2.81Å; L169-L171 HydrophobicContact CD2-CD2 3.96Å
170V95.8Very high95.2Very high44 Ų4452.8 Ų52.827%0.26726%0.258SS..  trans-108.3113178.9-168.50000109.6S84 K85 Q88 V93 H168S84-V170 WeakPolarHBondContact CA-O 3.49Å; K85-V170 HydrophobicContact CD-CG1 3.76Å; K85-V170 HydrophobicContact CG-CG1 4.33Å; K85-V170 PolarHBondContact N-O 3.15Å; Q88-V170 HydrophobicContact CG-CG1 4.44Å; Q88-V170 HydrophobicContact CG-CG2 4.37Å; V93-V170 HydrophobicContact CG2-CB 4.25Å; V93-V170 HydrophobicContact CG2-CG2 4.48Å; H168-V170 WeakPolarHBondContact O-CG2 3.25Å; H168-V170 PolarHBondContact O-N 2.79Å
171L97.6Very high95.3Very high27 Ų2753.8 Ų53.814%0.14126%0.263CS..BIsolated β-bridgetrans-75.8154.5170.4-60.9178.8000110.6F79 L83 K85 L169 V175 A207 V209F79-L171 HydrophobicContact CE2-CD2 4.34Å; L83-L171 HydrophobicContact CB-CD2 4.37Å; L83-L171 CarbonylContact O-C 3.48Å; L83-L171 WeakPolarHBondContact O-CA 3.49Å; K85-L171 VanDerWaalsContact CE-O 3.26Å; K85-L171 WeakPolarHBondContact CE-O 3.34Å; L169-L171 HydrophobicContact CD2-CD2 3.96Å; L171-V175 HydrophobicContact CB-CB 4.24Å; L171-V175 HydrophobicContact CB-CG1 4.4Å; L171-V175 HydrophobicContact CB-CG2 4.47Å; L171-V175 HydrophobicContact CD1-CG1 3.98Å; L171-A207 HydrophobicContact CD1-CB 3.8Å; L171-V209 HydrophobicContact CD1-CG1 4.47Å; L171-V209 HydrophobicContact CD1-CG2 3.85Å
172R97.8Very high95.4Very high5 Ų550.1 Ų50.12%0.01925%0.246CC..PPolyproline II helixtrans-57.8145.9170.5-78.1-169.4172.169.8-1.6110.4R81 T82 L83 S84 K85 K174 V175 N293 D314 S315 F317R81-R172 PolarHBondContact O-NH1 3.37Å; R81-R172 PolarHBondContact O-NH2 3.44Å; T82-R172 PolarHBondContact O-NH1 3.21Å; L83-R172 PolarHBondContact O-N 2.96Å; S84-R172 PolarHBondContact O-NH1 2.88Å; K85-R172 HydrophobicContact CG-CG 3.96Å; R172-K174 PolarHBondContact O-N 3.33Å; R172-V175 HydrophobicContact CB-CG2 3.84Å; R172-V175 WeakPolarHBondContact O-CB 3.32Å; R172-V175 VanDerWaalsContact O-CG2 3.24Å; R172-V175 WeakPolarHBondContact O-CG2 3.4Å; R172-V175 PolarHBondContact O-N 2.91Å; R172-N293 PolarHBondContact NH2-ND2 3.12Å; R172-N293 PolarHBondContact NH2-OD1 3.44Å; R172-D314 PolarHBondContact NE-O 3.27Å; R172-S315 WeakPolarHBondContact CA-O 3.47Å; R172-S315 WeakPolarHBondContact CB-O 3.41Å; R172-S315 WeakPolarHBondContact CG-O 3.38Å; R172-F317 HydrophobicContact CB-CD2 3.73Å; R172-F317 HydrophobicContact CB-CE2 4.32Å; R172-F317 HydrophobicContact CG-CD2 4.26Å
173D96.4Very high95.5Very high81 Ų8145.6 Ų45.643%0.43323%0.229SC..BIsolated β-bridgetrans-58.6143.6176-55.5-19.2000108.4K85 V175 S315 T316 F317K85-D173 VanDerWaalsContact CE-OD1 3.32Å; K85-D173 WeakPolarHBondContact CE-OD1 3.43Å; K85-D173 IonicContact NZ-OD1 3.88Å; K85-D173 PolarHBondContact NZ-OD1 3.28Å; K85-D173 IonicContact NZ-OD2 2.71Å; D173-V175 VanDerWaalsContact C-N 3.32Å; D173-V175 PolarHBondContact O-N 3.35Å; D173-S315 PolarHBondContact N-O 3.28Å; D173-S315 VanDerWaalsContact N-O 3.1Å; D173-T316 HydrophobicContact CB-CG2 4.15Å; D173-T316 CarbonylContact O-C 3.56Å; D173-T316 WeakPolarHBondContact O-CA 3.48Å; D173-F317 WeakPolarHBondContact O-CB 3.37Å; D173-F317 PolarHBondContact O-N 2.71Å
174K97.4Very high95.6Very high70 Ų7050 Ų5030%0.30425%0.252SS..THydrogen-bonded Turntrans75.1-3.1-174.3-56.3-71.5169.8-161.80117.7R172 S176 E177 F178 F317 Y321R172-K174 PolarHBondContact O-N 3.33Å; K174-S176 VanDerWaalsContact C-N 3.32Å; K174-S176 PolarHBondContact O-N 3.12Å; K174-E177 WeakPolarHBondContact CA-OE2 3.46Å; K174-E177 HydrophobicContact CD-CB 4.49Å; K174-E177 HydrophobicContact CD-CG 4.49Å; K174-E177 WeakPolarHBondContact CD-OE1 3.35Å; K174-E177 IonicContact NZ-OE1 3.77Å; K174-E177 PolarHBondContact NZ-OE1 3.29Å; K174-E177 PolarHBondContact O-N 2.97Å; K174-F178 WeakPolarHBondContact O-CB 3.26Å; K174-F178 PolarHBondContact O-N 3.05Å; K174-F317 HydrophobicContact CB-CB 4.04Å; K174-Y321 HydrophobicContact CD-CD1 4.3Å
175V98.3Very high95.6Very high1 Ų152.4 Ų52.41%0.00626%0.261CS..Hα-helixtrans-61.4-40.6175.21690000111.8L83 L171 R172 D173 F178 F179 F317L83-V175 HydrophobicContact CD2-CG1 4.05Å; L83-V175 HydrophobicContact CD2-CG2 4.21Å; L171-V175 HydrophobicContact CB-CB 4.24Å; L171-V175 HydrophobicContact CB-CG1 4.4Å; L171-V175 HydrophobicContact CB-CG2 4.47Å; L171-V175 HydrophobicContact CD1-CG1 3.98Å; R172-V175 HydrophobicContact CB-CG2 3.84Å; R172-V175 WeakPolarHBondContact O-CB 3.32Å; R172-V175 VanDerWaalsContact O-CG2 3.24Å; R172-V175 WeakPolarHBondContact O-CG2 3.4Å; R172-V175 PolarHBondContact O-N 2.91Å; D173-V175 VanDerWaalsContact C-N 3.32Å; D173-V175 PolarHBondContact O-N 3.35Å; V175-F178 PolarHBondContact O-N 3.48Å; V175-F179 HydrophobicContact CG1-CD2 3.95Å; V175-F179 HydrophobicContact CG1-CE2 3.75Å; V175-F179 HydrophobicContact CG1-CZ 4.24Å; V175-F179 PolarHBondContact O-N 2.99Å; V175-F317 HydrophobicContact CG2-CB 4.12Å; V175-F317 HydrophobicContact CG2-CD1 3.9Å; V175-F317 HydrophobicContact CG2-CD2 3.83Å; V175-F317 HydrophobicContact CG2-CE1 4.29Å; V175-F317 HydrophobicContact CG2-CE2 4.27Å; V175-F317 HydrophobicContact CG2-CG 3.66Å; V175-F317 HydrophobicContact CG2-CZ 4.47Å
176S98Very high95.6Very high57 Ų5752.3 Ų52.340%0.39926%0.263SS..Hα-helixtrans-63.5-49.2178.4179.60000111.8K174 F178 F179 Q180K174-S176 VanDerWaalsContact C-N 3.32Å; K174-S176 PolarHBondContact O-N 3.12Å; S176-F178 VanDerWaalsContact C-N 3.3Å; S176-F178 PolarHBondContact O-N 3.12Å; S176-F179 PolarHBondContact O-N 3.32Å; S176-Q180 WeakPolarHBondContact O-CB 3.47Å; S176-Q180 PolarHBondContact O-N 3.41Å
177E98.3Very high95.7Very high73 Ų7347.2 Ų47.234%0.34124%0.239SC..Hα-helixtrans-64.1-36.6177.2-62.399124.700112.4K174 L181 Y321K174-E177 WeakPolarHBondContact CA-OE2 3.46Å; K174-E177 HydrophobicContact CD-CB 4.49Å; K174-E177 HydrophobicContact CD-CG 4.49Å; K174-E177 WeakPolarHBondContact CD-OE1 3.35Å; K174-E177 IonicContact NZ-OE1 3.77Å; K174-E177 PolarHBondContact NZ-OE1 3.29Å; K174-E177 PolarHBondContact O-N 2.97Å; E177-L181 VanDerWaalsContact O-CB 3.31Å; E177-L181 WeakPolarHBondContact O-CB 3.47Å; E177-L181 PolarHBondContact O-N 3.15Å; E177-Y321 HydrophobicContact CB-CE2 4.02Å
178F98.4Very high96.1Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-61.1-49.7174.8178.2-104.6000111.9I75 K174 V175 S176 L181 L182 L259 L261 F317 P320 Y321 I324I75-F178 HydrophobicContact CD1-CZ 4.49Å; I75-F178 HydrophobicContact CG2-CE1 4.27Å; I75-F178 HydrophobicContact CG2-CZ 4.17Å; K174-F178 WeakPolarHBondContact O-CB 3.26Å; K174-F178 PolarHBondContact O-N 3.05Å; V175-F178 PolarHBondContact O-N 3.48Å; S176-F178 VanDerWaalsContact C-N 3.3Å; S176-F178 PolarHBondContact O-N 3.12Å; F178-L181 PolarHBondContact O-N 2.66Å; F178-L182 HydrophobicContact CD1-CD1 3.7Å; F178-L182 HydrophobicContact CD2-CD1 4.38Å; F178-L182 HydrophobicContact CE1-CD1 3.37Å; F178-L182 HydrophobicContact CE2-CD1 4.14Å; F178-L182 HydrophobicContact CG-CD1 4.2Å; F178-L182 HydrophobicContact CZ-CD1 3.62Å; F178-L182 WeakPolarHBondContact O-CD1 3.37Å; F178-L182 VanDerWaalsContact O-CG 3.26Å; F178-L182 WeakPolarHBondContact O-CG 3.4Å; F178-L182 PolarHBondContact O-N 2.88Å; F178-L182 VanDerWaalsContact O-N 3.08Å; F178-L259 HydrophobicContact CE2-CD2 4.47Å; F178-L259 HydrophobicContact CZ-CD2 4.36Å; F178-L261 HydrophobicContact CE1-CD1 4.31Å; F178-L261 HydrophobicContact CZ-CD1 4.08Å; F178-F317 AromaticContact CD1-CD1 3.96Å; F178-F317 HydrophobicContact CD1-CD1 3.96Å; F178-F317 HydrophobicContact CD1-CE1 4.22Å; F178-F317 HydrophobicContact CE1-CD1 4.29Å; F178-F317 HydrophobicContact CE1-CE1 4.19Å; F178-F317 HydrophobicContact CG-CD1 4.15Å; F178-P320 HydrophobicContact CD2-CB 4.38Å; F178-P320 HydrophobicContact CE2-CB 3.92Å; F178-P320 HydrophobicContact CZ-CB 4.37Å; F178-Y321 HydrophobicContact CB-CD2 4.12Å; F178-Y321 HydrophobicContact CD2-CD2 4.35Å; F178-I324 HydrophobicContact CD2-CG1 4.25Å; F178-I324 HydrophobicContact CE2-CB 4.35Å; F178-I324 HydrophobicContact CE2-CG1 3.49Å; F178-I324 VanDerWaalsContact CE2-CG1 3.49Å; F178-I324 HydrophobicContact CZ-CG1 4.27Å
179F98.6Very high96.9Very high1 Ų139.9 Ų39.90%0.00420%0.204CC..Hα-helixtrans-69-37.6178.8-73-15.5000113.2L83 V175 S176 L181 L182 S183 V189 L204 V209 M214L83-F179 HydrophobicContact CD1-CE2 4.31Å; L83-F179 HydrophobicContact CD1-CZ 3.74Å; L83-F179 HydrophobicContact CD2-CE1 4.11Å; L83-F179 HydrophobicContact CD2-CE2 4.21Å; L83-F179 HydrophobicContact CD2-CZ 3.47Å; L83-F179 VanDerWaalsContact CD2-CZ 3.47Å; L83-F179 HydrophobicContact CG-CZ 4.27Å; V175-F179 HydrophobicContact CG1-CD2 3.95Å; V175-F179 HydrophobicContact CG1-CE2 3.75Å; V175-F179 HydrophobicContact CG1-CZ 4.24Å; V175-F179 PolarHBondContact O-N 2.99Å; S176-F179 PolarHBondContact O-N 3.32Å; F179-L181 VanDerWaalsContact C-N 3.35Å; F179-L181 PolarHBondContact O-N 2.83Å; F179-L182 HydrophobicContact CD1-CD1 4.16Å; F179-L182 PolarHBondContact O-N 3.21Å; F179-S183 WeakPolarHBondContact O-CB 3.41Å; F179-S183 PolarHBondContact O-N 2.97Å; F179-V189 HydrophobicContact CE1-CG1 4.03Å; F179-L204 HydrophobicContact CE2-CD2 4.17Å; F179-V209 HydrophobicContact CD2-CB 3.94Å; F179-V209 HydrophobicContact CD2-CG2 3.94Å; F179-V209 WeakPolarHBondContact CD2-O 3.35Å; F179-V209 HydrophobicContact CE2-CG2 4.27Å; F179-M214 HydrophobicContact CB-SD 4.44Å; F179-M214 HydrophobicContact CD1-CE 4.36Å; F179-M214 HydrophobicContact CD2-CE 3.65Å; F179-M214 HydrophobicContact CD2-SD 3.96Å; F179-M214 HydrophobicContact CE1-CE 4.13Å; F179-M214 HydrophobicContact CE2-CE 3.39Å; F179-M214 HydrophobicContact CE2-SD 4.33Å; F179-M214 HydrophobicContact CG-CE 4.15Å; F179-M214 HydrophobicContact CG-SD 4.13Å; F179-M214 HydrophobicContact CZ-CE 3.64Å
180Q98.2Very high97.1Very high85 Ų8539.1 Ų39.140%0.39720%0.2SC..Hα-helixtrans-59.7-47.3173.9-174.96261.700110.9S176 L182 S183 D184 H211S176-Q180 WeakPolarHBondContact O-CB 3.47Å; S176-Q180 PolarHBondContact O-N 3.41Å; Q180-L182 VanDerWaalsContact C-N 3.33Å; Q180-L182 PolarHBondContact O-N 2.89Å; Q180-S183 WeakPolarHBondContact O-CB 3.32Å; Q180-S183 PolarHBondContact O-N 3.45Å; Q180-S183 VanDerWaalsContact O-N 3.11Å; Q180-D184 PolarHBondContact NE2-OD1 2.84Å; Q180-D184 VanDerWaalsContact O-CG 3.22Å; Q180-D184 PolarHBondContact O-N 2.77Å; Q180-H211 PolarHBondContact OE1-CE1 3.48Å; Q180-H211 VanDerWaalsContact OE1-CE1 3.29Å
181L97.6Very high97.2Very high22 Ų2237 Ų3712%0.11519%0.187CC..Hα-helixtrans-60.3-42.5178.4-178.362.1000111.9E177 F178 F179 S183 D184 Y185 Y321 I324 Q325 L328E177-L181 VanDerWaalsContact O-CB 3.31Å; E177-L181 WeakPolarHBondContact O-CB 3.47Å; E177-L181 PolarHBondContact O-N 3.15Å; F178-L181 PolarHBondContact O-N 2.66Å; F179-L181 VanDerWaalsContact C-N 3.35Å; F179-L181 PolarHBondContact O-N 2.83Å; L181-S183 VanDerWaalsContact C-N 3.3Å; L181-S183 PolarHBondContact O-N 2.74Å; L181-D184 PolarHBondContact O-N 2.81Å; L181-Y185 HydrophobicContact CD1-CD2 3.91Å; L181-Y185 HydrophobicContact CD1-CE2 3.63Å; L181-Y185 WeakPolarHBondContact O-CD2 3.47Å; L181-Y185 PolarHBondContact O-N 3.25Å; L181-Y321 HydrophobicContact CB-CE2 4.08Å; L181-Y321 HydrophobicContact CD2-CD2 4.05Å; L181-Y321 HydrophobicContact CD2-CE2 3.55Å; L181-Y321 HydrophobicContact CG-CE2 4.45Å; L181-I324 HydrophobicContact CD2-CB 4.4Å; L181-I324 HydrophobicContact CD2-CG2 3.71Å; L181-I324 HydrophobicContact CG-CG2 4.14Å; L181-Q325 HydrophobicContact CD2-CG 3.64Å; L181-L328 HydrophobicContact CD1-CD1 3.76Å; L181-L328 HydrophobicContact CD2-CD1 4Å; L181-L328 HydrophobicContact CG-CD1 3.67Å
182L97.5Very high97.1Very high0 Ų035.8 Ų35.80%018%0.181CC..Hα-helixtrans-65.8-35.6176.5-66.4165.4000112.1I75 F178 F179 Q180 H186 I187 V189 I324I75-L182 HydrophobicContact CD1-CD2 3.95Å; I75-L182 HydrophobicContact CG1-CD1 3.74Å; I75-L182 HydrophobicContact CG1-CD2 3.72Å; I75-L182 HydrophobicContact CG1-CG 4.39Å; F178-L182 HydrophobicContact CD1-CD1 3.7Å; F178-L182 HydrophobicContact CD2-CD1 4.38Å; F178-L182 HydrophobicContact CE1-CD1 3.37Å; F178-L182 HydrophobicContact CE2-CD1 4.14Å; F178-L182 HydrophobicContact CG-CD1 4.2Å; F178-L182 HydrophobicContact CZ-CD1 3.62Å; F178-L182 WeakPolarHBondContact O-CD1 3.37Å; F178-L182 VanDerWaalsContact O-CG 3.26Å; F178-L182 WeakPolarHBondContact O-CG 3.4Å; F178-L182 PolarHBondContact O-N 2.88Å; F178-L182 VanDerWaalsContact O-N 3.08Å; F179-L182 HydrophobicContact CD1-CD1 4.16Å; F179-L182 PolarHBondContact O-N 3.21Å; Q180-L182 VanDerWaalsContact C-N 3.33Å; Q180-L182 PolarHBondContact O-N 2.89Å; L182-H186 PolarHBondContact O-N 3.45Å; L182-I187 HydrophobicContact CB-CB 4.3Å; L182-I187 HydrophobicContact CD2-CB 3.77Å; L182-I187 HydrophobicContact CD2-CD1 3.76Å; L182-I187 HydrophobicContact CD2-CG1 4.37Å; L182-I187 HydrophobicContact CD2-CG2 3.65Å; L182-I187 PolarHBondContact O-N 2.74Å; L182-V189 HydrophobicContact CB-CG2 4.22Å; L182-V189 HydrophobicContact CD1-CG2 3.8Å; L182-I324 HydrophobicContact CD2-CD1 4.22Å; L182-I324 HydrophobicContact CD2-CG1 4.26Å; L182-I324 HydrophobicContact CD2-CG2 3.96Å
183S97.2Very high97.1Very high21 Ų2135.6 Ų35.615%0.14718%0.18CC..Hα-helixtrans-65.5-46.9176.3-162.30000112.1F179 Q180 L181 Y185 H186 H211 N213F179-S183 WeakPolarHBondContact O-CB 3.41Å; F179-S183 PolarHBondContact O-N 2.97Å; Q180-S183 WeakPolarHBondContact O-CB 3.32Å; Q180-S183 PolarHBondContact O-N 3.45Å; Q180-S183 VanDerWaalsContact O-N 3.11Å; L181-S183 VanDerWaalsContact C-N 3.3Å; L181-S183 PolarHBondContact O-N 2.74Å; S183-Y185 PolarHBondContact O-N 2.81Å; S183-H186 PolarHBondContact O-N 2.91Å; S183-H186 PolarHBondContact O-ND1 3.18Å; S183-H211 WeakPolarHBondContact OG-CB 3.22Å; S183-N213 WeakPolarHBondContact CA-OD1 3.34Å; S183-N213 WeakPolarHBondContact CB-OD1 3.37Å; S183-N213 PolarHBondContact OG-OD1 2.64Å; S183-N213 VanDerWaalsContact OG-OD1 3.09Å
184D96.6Very high97.1Very high97 Ų9732.4 Ų32.452%0.51917%0.165SC..Hα-helixtrans-57.3-35.4179.7-67.3-15.6000112Q180 L181Q180-D184 PolarHBondContact NE2-OD1 2.84Å; Q180-D184 VanDerWaalsContact O-CG 3.22Å; Q180-D184 PolarHBondContact O-N 2.77Å; L181-D184 PolarHBondContact O-N 2.81Å
185Y95.5Very high97.1Very high58 Ų5829.2 Ų29.223%0.22715%0.152CC..THydrogen-bonded Turntrans-98.96.9178.2-71.1-92.6000114.1K70 L181 S183 I187 L328 E332K70-Y185 HydrophobicContact CD-CD1 3.6Å; K70-Y185 HydrophobicContact CD-CG 4.35Å; L181-Y185 HydrophobicContact CD1-CD2 3.91Å; L181-Y185 HydrophobicContact CD1-CE2 3.63Å; L181-Y185 WeakPolarHBondContact O-CD2 3.47Å; L181-Y185 PolarHBondContact O-N 3.25Å; S183-Y185 PolarHBondContact O-N 2.81Å; Y185-I187 VanDerWaalsContact C-N 3.31Å; Y185-I187 PolarHBondContact O-N 3.21Å; Y185-L328 HydrophobicContact CD1-CD1 4.49Å; Y185-L328 HydrophobicContact CD1-CD2 3.84Å; Y185-L328 HydrophobicContact CD2-CD1 3.55Å; Y185-L328 HydrophobicContact CD2-CD2 4.32Å; Y185-L328 HydrophobicContact CD2-CG 4.46Å; Y185-L328 HydrophobicContact CE1-CD2 4.28Å; Y185-L328 HydrophobicContact CE2-CD1 3.79Å; Y185-L328 HydrophobicContact CG-CD1 3.91Å; Y185-L328 HydrophobicContact CG-CD2 3.82Å; Y185-L328 HydrophobicContact CG-CG 4.44Å; Y185-E332 PolarHBondContact OH-OE1 3.07Å
186H95Very high97Very high139 Ų13929.2 Ų29.264%0.64415%0.152SC*.THydrogen-bonded Turntrans5245.6179.5-54-32.7000113.4L182 S183 R255L182-H186 PolarHBondContact O-N 3.45Å; S183-H186 PolarHBondContact O-N 2.91Å; S183-H186 PolarHBondContact O-ND1 3.18Å; H186-R255 PolarHBondContact O-NH2 3.05Å
187I95.9Very high97Very high0 Ų026.5 Ų26.50%013%0.133CC..  trans-86.5121.3173.5-68.8168000108.9K70 L73 I75 L182 Y185 N213 L328K70-I187 HydrophobicContact CB-CD1 4.17Å; K70-I187 HydrophobicContact CB-CG1 4.33Å; L73-I187 HydrophobicContact CD2-CD1 4.27Å; L73-I187 WeakPolarHBondContact O-CG2 3.5Å; I75-I187 HydrophobicContact CD1-CG2 4.35Å; I75-I187 HydrophobicContact CG1-CG2 3.97Å; L182-I187 HydrophobicContact CB-CB 4.3Å; L182-I187 HydrophobicContact CD2-CB 3.77Å; L182-I187 HydrophobicContact CD2-CD1 3.76Å; L182-I187 HydrophobicContact CD2-CG1 4.37Å; L182-I187 HydrophobicContact CD2-CG2 3.65Å; L182-I187 PolarHBondContact O-N 2.74Å; Y185-I187 VanDerWaalsContact C-N 3.31Å; Y185-I187 PolarHBondContact O-N 3.21Å; I187-N213 PolarHBondContact O-ND2 3.2Å; I187-L328 HydrophobicContact CD1-CD2 3.97Å
188P96.3Very high96.9Very high18 Ų1824.2 Ų24.212%0.11712%0.123CC..  trans-59.4137.7176.9-24.233.4000111.9E74 I75 N213 I252E74-P188 HydrophobicContact CB-CB 4.27Å; I75-P188 PolarHBondContact N-O 2.63Å; P188-N213 WeakPolarHBondContact CA-O 3.32Å; P188-I252 HydrophobicContact CB-CG2 4.36Å
189V96.8Very high96.9Very high3 Ų324.2 Ų24.22%0.01812%0.123CC..EExtended strand (participates in β ladder)trans-123.7122173.3-175.40000109I75 T77 F179 L182 V191 N213 M214 R215I75-V189 HydrophobicContact CB-CB 4.47Å; I75-V189 HydrophobicContact CB-CG1 4.27Å; I75-V189 HydrophobicContact CB-CG2 4.19Å; I75-V189 HydrophobicContact CG1-CG2 4.26Å; I75-V189 HydrophobicContact CG2-CG1 4.43Å; I75-V189 WeakPolarHBondContact O-CA 3.17Å; T77-V189 HydrophobicContact CG2-CG1 4.33Å; F179-V189 HydrophobicContact CE1-CG1 4.03Å; L182-V189 HydrophobicContact CB-CG2 4.22Å; L182-V189 HydrophobicContact CD1-CG2 3.8Å; V189-V191 HydrophobicContact CG1-CG2 4.41Å; V189-N213 PolarHBondContact N-O 3.46Å; V189-M214 HydrophobicContact CB-CB 4.32Å; V189-M214 HydrophobicContact CB-CG 3.93Å; V189-M214 HydrophobicContact CG1-CE 4.33Å; V189-M214 HydrophobicContact CG2-CG 4.27Å; V189-M214 CarbonylContact O-C 3.07Å; V189-M214 VanDerWaalsContact O-CA 3.29Å; V189-M214 WeakPolarHBondContact O-CA 3.49Å; V189-R215 PolarHBondContact O-N 3.31Å
190L95.9Very high96.9Very high20 Ų2024.1 Ų24.111%0.10512%0.123CC..EExtended strand (participates in β ladder)trans-103.3113.9168.7175.564.8000109I75 I76 T77 F192 R215 V217 I247I75-L190 PolarHBondContact O-N 3.47Å; I76-L190 WeakPolarHBondContact CA-O 3.44Å; I76-L190 HydrophobicContact CG1-CB 4.34Å; I76-L190 HydrophobicContact CG1-CD2 4.44Å; I76-L190 HydrophobicContact CG2-CB 4.49Å; I76-L190 HydrophobicContact CG2-CD2 4.1Å; I76-L190 HydrophobicContact CG2-CG 4.42Å; T77-L190 PolarHBondContact N-O 2.78Å; L190-F192 HydrophobicContact CD2-CB 4.3Å; L190-F192 HydrophobicContact CD2-CD1 4.34Å; L190-F192 HydrophobicContact CG-CB 4.15Å; L190-R215 WeakPolarHBondContact CA-O 3.05Å; L190-R215 HydrophobicContact CD1-CG 4.43Å; L190-V217 HydrophobicContact CD1-CB 4.03Å; L190-V217 HydrophobicContact CD1-CG2 3.55Å; L190-I247 HydrophobicContact CD2-CD1 3.55Å
191V97.4Very high96.8Very high0 Ų022 Ų220%011%0.114CC..EExtended strand (participates in β ladder)trans-86.9107.6165.9-177.70000107.5T77 F79 L83 V189 I200 L204 M214 R215 V216 V217T77-V191 HydrophobicContact CG2-CG2 4.03Å; T77-V191 CarbonylContact O-C 3.54Å; T77-V191 VanDerWaalsContact O-CA 3.3Å; T77-V191 WeakPolarHBondContact O-CA 3.42Å; F79-V191 HydrophobicContact CB-CG1 3.87Å; F79-V191 HydrophobicContact CD2-CG1 4.29Å; L83-V191 HydrophobicContact CD1-CG1 4.18Å; L83-V191 HydrophobicContact CD1-CG2 4.1Å; V189-V191 HydrophobicContact CG1-CG2 4.41Å; V191-I200 HydrophobicContact CG1-CG2 4.23Å; V191-L204 HydrophobicContact CG2-CD1 4.37Å; V191-M214 HydrophobicContact CG2-CE 4.05Å; V191-R215 PolarHBondContact N-O 3.28Å; V191-V216 HydrophobicContact CB-CG2 4.14Å; V191-V216 CarbonylContact O-C 3.6Å; V191-V216 WeakPolarHBondContact O-CA 3.41Å; V191-V217 PolarHBondContact O-N 3.24Å
192F96.7Very high96.8Very high0 Ų022.5 Ų22.50%012%0.117CC..EExtended strand (participates in β ladder)trans-114.499.9-174.3-165.6-178.5000110.9I76 T77 L190 V217 I237 K242 T243 I247 M270I76-F192 HydrophobicContact CG2-CB 4.4Å; T77-F192 PolarHBondContact O-N 2.93Å; L190-F192 HydrophobicContact CD2-CB 4.3Å; L190-F192 HydrophobicContact CD2-CD1 4.34Å; L190-F192 HydrophobicContact CG-CB 4.15Å; F192-V217 WeakPolarHBondContact CA-O 3.37Å; F192-V217 HydrophobicContact CD2-CB 4.09Å; F192-V217 HydrophobicContact CD2-CG1 3.87Å; F192-V217 HydrophobicContact CE2-CB 4.47Å; F192-V217 HydrophobicContact CE2-CG1 3.77Å; F192-I237 HydrophobicContact CD2-CG2 4.35Å; F192-I237 HydrophobicContact CE2-CD1 3.96Å; F192-I237 HydrophobicContact CE2-CG1 4.29Å; F192-I237 HydrophobicContact CE2-CG2 3.81Å; F192-K242 HydrophobicContact CD1-CB 4.41Å; F192-K242 HydrophobicContact CD2-CG 4.46Å; F192-K242 HydrophobicContact CE1-CB 4.1Å; F192-K242 HydrophobicContact CE2-CG 4.31Å; F192-K242 HydrophobicContact CZ-CB 4.17Å; F192-K242 HydrophobicContact CZ-CG 4.43Å; F192-K242 PolarHBondContact O-NZ 3.38Å; F192-T243 WeakPolarHBondContact CE1-O 3.27Å; F192-T243 WeakPolarHBondContact CZ-O 3.49Å; F192-I247 HydrophobicContact CD1-CD1 4.31Å; F192-I247 HydrophobicContact CE1-CD1 4.01Å; F192-I247 HydrophobicContact CE1-CG1 4.01Å; F192-I247 HydrophobicContact CE2-CG1 4.47Å; F192-I247 HydrophobicContact CZ-CD1 4.38Å; F192-I247 HydrophobicContact CZ-CG1 3.89Å; F192-M270 HydrophobicContact CB-CG 4.47Å; F192-M270 HydrophobicContact CB-SD 3.83Å; F192-M270 HydrophobicContact CD1-CB 4.06Å; F192-M270 HydrophobicContact CD1-CG 3.89Å; F192-M270 HydrophobicContact CD1-SD 4.35Å; F192-M270 HydrophobicContact CG-CG 4.42Å; F192-M270 HydrophobicContact CG-SD 4.34Å
193S97.7Very high96.8Very high2 Ų222.8 Ų22.81%0.01412%0.119CC..EExtended strand (participates in β ladder)trans-124.6141.9-169.7-175.30000112.9G195 I200 V217 S218S193-G195 PolarHBondContact O-N 3.38Å; S193-G195 PolarHBondContact OG-N 2.95Å; S193-I200 VanDerWaalsContact CB-CD1 3.43Å; S193-I200 WeakPolarHBondContact OG-CD1 3.46Å; S193-V217 PolarHBondContact N-O 2.84Å; S193-S218 WeakPolarHBondContact O-CA 3.43Å; S193-S218 VanDerWaalsContact O-CB 3.31Å; S193-S218 WeakPolarHBondContact O-CB 3.29Å; S193-S218 PolarHBondContact O-OG 3.15Å
194A96.4Very high96.8Very high14 Ų1421.8 Ų21.812%0.11611%0.112CC..EExtended strand (participates in β ladder)trans-79.81.1167.300000112.7N219 I237A194-N219 PolarHBondContact O-ND2 2.82Å; A194-I237 HydrophobicContact CB-CG2 4.35Å
195G96.4Very high96.8Very high3 Ų321.9 Ų21.93%0.03111%0.109CC..EExtended strand (participates in β ladder)trans-72.9-160.1177.600000114.6S96 S193 S218 N219S96-G195 WeakPolarHBondContact OG-CA 3.44Å; S193-G195 PolarHBondContact O-N 3.38Å; S193-G195 PolarHBondContact OG-N 2.95Å; G195-S218 PolarHBondContact O-OG 3.04Å; G195-N219 WeakPolarHBondContact O-CB 3.31Å; G195-N219 PolarHBondContact O-N 3.3Å; G195-N219 PolarHBondContact O-ND2 3.19Å
196L96.8Very high96.8Very high0 Ų023.9 Ų23.90%012%0.12CC..EExtended strand (participates in β ladder)trans-93.6113.1174.6-67.2175.4000110.5S96 Y97 F100 D198 V199 I200 M221 F232S96-L196 PolarHBondContact OG-N 3.03Å; S96-L196 VanDerWaalsContact OG-N 3.08Å; Y97-L196 HydrophobicContact CD1-CD1 3.81Å; Y97-L196 HydrophobicContact CD1-CD2 4.18Å; Y97-L196 HydrophobicContact CD1-CG 3.86Å; Y97-L196 HydrophobicContact CD2-CG 4.03Å; Y97-L196 HydrophobicContact CE1-CD1 4.01Å; Y97-L196 HydrophobicContact CE1-CD2 3.51Å; Y97-L196 HydrophobicContact CE1-CG 3.69Å; Y97-L196 HydrophobicContact CE2-CD2 4.12Å; Y97-L196 HydrophobicContact CE2-CG 3.87Å; Y97-L196 HydrophobicContact CG-CD1 4.13Å; Y97-L196 HydrophobicContact CG-CG 4.02Å; Y97-L196 VanDerWaalsContact CZ-CD2 3.47Å; F100-L196 HydrophobicContact CB-CD1 3.43Å; F100-L196 VanDerWaalsContact CB-CD1 3.43Å; F100-L196 HydrophobicContact CD1-CD1 4.44Å; F100-L196 HydrophobicContact CD2-CD1 4.13Å; F100-L196 HydrophobicContact CG-CD1 3.75Å; L196-D198 PolarHBondContact O-N 2.81Å; L196-V199 HydrophobicContact CB-CB 4.04Å; L196-V199 HydrophobicContact CB-CG2 3.91Å; L196-V199 HydrophobicContact CD1-CG2 4.13Å; L196-V199 PolarHBondContact O-N 2.84Å; L196-I200 VanDerWaalsContact O-CG1 3.31Å; L196-I200 WeakPolarHBondContact O-CG1 3.14Å; L196-I200 PolarHBondContact O-N 3Å; L196-M221 HydrophobicContact CD1-CE 3.88Å; L196-M221 HydrophobicContact CD2-CE 3.91Å; L196-M221 HydrophobicContact CG-CE 4.36Å; L196-F232 HydrophobicContact CD2-CE1 3.54Å; L196-F232 HydrophobicContact CD2-CZ 3.86Å
197G97.5Very high96.8Very high0 Ų019.5 Ų19.50%011%0.108CC..Hα-helixtrans-57.8-46.2-173.200000113.7V199 I200 D201 N219G197-V199 VanDerWaalsContact C-N 3.33Å; G197-V199 PolarHBondContact O-N 3.13Å; G197-I200 PolarHBondContact O-N 2.86Å; G197-D201 VanDerWaalsContact O-CB 3.25Å; G197-D201 WeakPolarHBondContact O-CB 3.45Å; G197-D201 PolarHBondContact O-N 3.28Å; G197-N219 PolarHBondContact N-O 3.2Å
198D97.3Very high96.8Very high25 Ų2526 Ų2613%0.13414%0.143CC..Hα-helixtrans-63.7-38.3179.7-58.6-109.4000112.2L160 L196 L202 F220 M221L160-D198 HydrophobicContact CD2-CB 3.89Å; L196-D198 PolarHBondContact O-N 2.81Å; D198-L202 VanDerWaalsContact O-CB 3.25Å; D198-L202 WeakPolarHBondContact O-CB 3.39Å; D198-L202 WeakPolarHBondContact O-CD1 3.37Å; D198-L202 WeakPolarHBondContact O-CG 3.45Å; D198-L202 PolarHBondContact O-N 2.78Å; D198-F220 WeakPolarHBondContact OD2-CA 3.36Å; D198-F220 WeakPolarHBondContact OD2-CD1 2.91Å; D198-M221 WeakPolarHBondContact OD2-CB 3.47Å; D198-M221 PolarHBondContact OD2-N 2.87Å
199V97.5Very high96.8Very high0 Ų025.3 Ų25.30%014%0.138CC..Hα-helixtrans-65.2-43.8176.5172.50000110.6I99 L160 V164 L196 G197 S203I99-V199 HydrophobicContact CB-CG1 3.97Å; I99-V199 HydrophobicContact CD1-CG1 4Å; I99-V199 HydrophobicContact CG2-CG1 3.9Å; L160-V199 HydrophobicContact CD1-CG2 3.86Å; V164-V199 HydrophobicContact CG2-CB 4.24Å; V164-V199 HydrophobicContact CG2-CG1 4.01Å; V164-V199 HydrophobicContact CG2-CG2 4.06Å; L196-V199 HydrophobicContact CB-CB 4.04Å; L196-V199 HydrophobicContact CB-CG2 3.91Å; L196-V199 HydrophobicContact CD1-CG2 4.13Å; L196-V199 PolarHBondContact O-N 2.84Å; G197-V199 VanDerWaalsContact C-N 3.33Å; G197-V199 PolarHBondContact O-N 3.13Å; V199-S203 VanDerWaalsContact O-CB 3.22Å; V199-S203 WeakPolarHBondContact O-CB 3.46Å; V199-S203 PolarHBondContact O-N 2.92Å; V199-S203 PolarHBondContact O-OG 3.08Å
200I98.2Very high96.8Very high0 Ų027.9 Ų27.90%015%0.148CC..Hα-helixtrans-63.6-50178.3-66.2168.7000110.3F79 V191 S193 L196 G197 L202 S203 L204 V216F79-I200 HydrophobicContact CB-CD1 4.15Å; F79-I200 HydrophobicContact CB-CG1 4.43Å; F79-I200 HydrophobicContact CB-CG2 4.33Å; F79-I200 HydrophobicContact CD1-CB 4.44Å; F79-I200 HydrophobicContact CD1-CD1 4.09Å; F79-I200 HydrophobicContact CD1-CG1 3.6Å; F79-I200 HydrophobicContact CD1-CG2 4.27Å; F79-I200 HydrophobicContact CD2-CG2 3.64Å; F79-I200 HydrophobicContact CE1-CB 4.43Å; F79-I200 HydrophobicContact CE1-CG1 3.82Å; F79-I200 HydrophobicContact CE1-CG2 4.45Å; F79-I200 HydrophobicContact CE2-CG2 3.86Å; F79-I200 HydrophobicContact CG-CB 4.46Å; F79-I200 HydrophobicContact CG-CD1 4.21Å; F79-I200 HydrophobicContact CG-CG1 3.94Å; F79-I200 HydrophobicContact CG-CG2 3.83Å; F79-I200 HydrophobicContact CZ-CB 4.47Å; F79-I200 HydrophobicContact CZ-CG1 4.34Å; F79-I200 HydrophobicContact CZ-CG2 4.22Å; V191-I200 HydrophobicContact CG1-CG2 4.23Å; S193-I200 VanDerWaalsContact CB-CD1 3.43Å; S193-I200 WeakPolarHBondContact OG-CD1 3.46Å; L196-I200 VanDerWaalsContact O-CG1 3.31Å; L196-I200 WeakPolarHBondContact O-CG1 3.14Å; L196-I200 PolarHBondContact O-N 3Å; G197-I200 PolarHBondContact O-N 2.86Å; I200-L202 PolarHBondContact O-N 2.91Å; I200-S203 WeakPolarHBondContact O-CB 3.45Å; I200-S203 PolarHBondContact O-N 3.45Å; I200-L204 HydrophobicContact CG2-CD1 3.98Å; I200-L204 HydrophobicContact CG2-CG 4.46Å; I200-L204 WeakPolarHBondContact O-CG 3.33Å; I200-L204 PolarHBondContact O-N 3.03Å; I200-V216 HydrophobicContact CB-CG1 4.47Å; I200-V216 HydrophobicContact CG2-CG1 3.96Å; I200-V216 HydrophobicContact CG2-CG2 4.27Å
201D97.5Very high96.9Very high40 Ų4028.5 Ų28.521%0.21415%0.15CC..Hα-helixtrans-57.8-50.2-179.6-168.9110.9000111.1G197 S203 L204 H205 Y210 F220G197-D201 VanDerWaalsContact O-CB 3.25Å; G197-D201 WeakPolarHBondContact O-CB 3.45Å; G197-D201 PolarHBondContact O-N 3.28Å; D201-S203 VanDerWaalsContact C-N 3.34Å; D201-S203 PolarHBondContact O-N 2.87Å; D201-L204 PolarHBondContact O-N 3.42Å; D201-H205 PolarHBondContact O-N 2.93Å; D201-H205 VanDerWaalsContact O-N 3.08Å; D201-H205 PolarHBondContact O-ND1 2.66Å; D201-H205 IonicContact OD2-CE1 2.74Å; D201-H205 PolarHBondContact OD2-CE1 3.26Å; D201-H205 IonicContact OD2-ND1 3.01Å; D201-H205 PolarHBondContact OD2-ND1 2.91Å; D201-Y210 HydrophobicContact CB-CE1 4.49Å; D201-Y210 VanDerWaalsContact OD1-CE1 3.31Å; D201-Y210 WeakPolarHBondContact OD1-CE1 3.16Å; D201-F220 HydrophobicContact CB-CE1 4.24Å
202L97.2Very high96.9Very high32 Ų3236.8 Ų36.817%0.16820%0.195CC..Hα-helixtrans-62.4-39.7175.8-72.6167.7000112.3L160 E161 V164 D198 I200 H205 H206L160-L202 HydrophobicContact CG-CD1 4.49Å; E161-L202 HydrophobicContact CB-CD1 4.45Å; E161-L202 HydrophobicContact CG-CD1 3.81Å; E161-L202 HydrophobicContact CG-CD2 3.84Å; E161-L202 HydrophobicContact CG-CG 4.5Å; V164-L202 HydrophobicContact CB-CB 4.21Å; V164-L202 HydrophobicContact CB-CD1 4.48Å; V164-L202 HydrophobicContact CG1-CB 3.78Å; V164-L202 HydrophobicContact CG2-CB 4.33Å; V164-L202 HydrophobicContact CG2-CD1 4.09Å; D198-L202 VanDerWaalsContact O-CB 3.25Å; D198-L202 WeakPolarHBondContact O-CB 3.39Å; D198-L202 WeakPolarHBondContact O-CD1 3.37Å; D198-L202 WeakPolarHBondContact O-CG 3.45Å; D198-L202 PolarHBondContact O-N 2.78Å; I200-L202 PolarHBondContact O-N 2.91Å; L202-H205 PolarHBondContact O-N 2.79Å; L202-H206 WeakPolarHBondContact O-CB 3.26Å; L202-H206 PolarHBondContact O-CD2 2.87Å; L202-H206 PolarHBondContact O-N 2.65Å
203S97Very high96.8Very high6 Ų638.2 Ų38.24%0.04220%0.202CC..Hα-helixtrans-64.1-43.8178.9-64.10000112.1V164 V199 I200 D201 H206 A207V164-S203 WeakPolarHBondContact CG1-OG 3.34Å; V199-S203 VanDerWaalsContact O-CB 3.22Å; V199-S203 WeakPolarHBondContact O-CB 3.46Å; V199-S203 PolarHBondContact O-N 2.92Å; V199-S203 PolarHBondContact O-OG 3.08Å; I200-S203 WeakPolarHBondContact O-CB 3.45Å; I200-S203 PolarHBondContact O-N 3.45Å; D201-S203 VanDerWaalsContact C-N 3.34Å; D201-S203 PolarHBondContact O-N 2.87Å; S203-H206 PolarHBondContact O-N 2.61Å; S203-A207 WeakPolarHBondContact O-CB 3.44Å; S203-A207 PolarHBondContact O-N 3.46Å
204L97.5Very high96.8Very high0 Ų038.9 Ų38.90%021%0.205CC..Hα-helixtrans-65-40177.5-67.7171.4000111.6F79 F179 V191 I200 D201 N208 V209 Y210 M214 V216F79-L204 HydrophobicContact CD2-CD2 4.4Å; F79-L204 HydrophobicContact CE2-CD2 3.85Å; F79-L204 HydrophobicContact CE2-CG 4.01Å; F179-L204 HydrophobicContact CE2-CD2 4.17Å; V191-L204 HydrophobicContact CG2-CD1 4.37Å; I200-L204 HydrophobicContact CG2-CD1 3.98Å; I200-L204 HydrophobicContact CG2-CG 4.46Å; I200-L204 WeakPolarHBondContact O-CG 3.33Å; I200-L204 PolarHBondContact O-N 3.03Å; D201-L204 PolarHBondContact O-N 3.42Å; L204-N208 PolarHBondContact O-N 2.84Å; L204-V209 HydrophobicContact CB-CG2 4.43Å; L204-V209 HydrophobicContact CD2-CG2 3.79Å; L204-V209 PolarHBondContact O-N 3.39Å; L204-V209 VanDerWaalsContact O-N 3.11Å; L204-Y210 HydrophobicContact CB-CD1 3.92Å; L204-Y210 HydrophobicContact CB-CG 4.07Å; L204-Y210 HydrophobicContact CD1-CD1 4.47Å; L204-Y210 PolarHBondContact O-N 2.92Å; L204-M214 HydrophobicContact CD1-CE 4.46Å; L204-V216 HydrophobicContact CD1-CG2 3.82Å
205H96.6Very high96.7Very high100 Ų10041 Ų4146%0.46321%0.21SC..Hα-helixtrans-64.2-46.2173.9-77.8108.1000112.1D201 L202 A207 N208 Y210D201-H205 PolarHBondContact O-N 2.93Å; D201-H205 VanDerWaalsContact O-N 3.08Å; D201-H205 PolarHBondContact O-ND1 2.66Å; D201-H205 IonicContact OD2-CE1 2.74Å; D201-H205 PolarHBondContact OD2-CE1 3.26Å; D201-H205 IonicContact OD2-ND1 3.01Å; D201-H205 PolarHBondContact OD2-ND1 2.91Å; L202-H205 PolarHBondContact O-N 2.79Å; H205-A207 VanDerWaalsContact C-N 3.31Å; H205-A207 PolarHBondContact O-N 2.98Å; H205-N208 WeakPolarHBondContact O-CA 3.33Å; H205-N208 PolarHBondContact O-N 3.44Å; H205-Y210 AromaticContact CE1-CD1 3.14Å; H205-Y210 WeakPolarHBondContact CE1-CD1 3.14Å; H205-Y210 AromaticContact CE1-CE1 3.41Å; H205-Y210 VanDerWaalsContact CE1-CE1 3.41Å; H205-Y210 WeakPolarHBondContact CE1-CE1 3.35Å; H205-Y210 AromaticContact CG-CD1 3.93Å; H205-Y210 AromaticContact ND1-CD1 3.35Å; H205-Y210 WeakPolarHBondContact ND1-CD1 3.37Å; H205-Y210 AromaticContact ND1-CE1 3.86Å; H205-Y210 AromaticContact NE2-CD1 3.62Å
206H94.4Very high96.6Very high99 Ų9941.2 Ų41.246%0.45821%0.211SC..Hα-helixtrans-65.9-33.4178.9-78-43.4000113.2L202 S203 N208L202-H206 WeakPolarHBondContact O-CB 3.26Å; L202-H206 PolarHBondContact O-CD2 2.87Å; L202-H206 PolarHBondContact O-N 2.65Å; S203-H206 PolarHBondContact O-N 2.61Å; H206-N208 PolarHBondContact O-N 2.78Å
207A95Very high96.6Very high47 Ų4741.9 Ų41.939%0.38822%0.215SC..THydrogen-bonded Turntrans-74-7172.300000113.2L171 S203 H205 V209L171-A207 HydrophobicContact CD1-CB 3.8Å; S203-A207 WeakPolarHBondContact O-CB 3.44Å; S203-A207 PolarHBondContact O-N 3.46Å; H205-A207 VanDerWaalsContact C-N 3.31Å; H205-A207 PolarHBondContact O-N 2.98Å; A207-V209 VanDerWaalsContact C-N 3.31Å; A207-V209 HydrophobicContact CB-CG1 4.3Å; A207-V209 HydrophobicContact CB-CG2 4.07Å; A207-V209 WeakPolarHBondContact O-CG1 3.46Å; A207-V209 PolarHBondContact O-N 2.82Å
208N96Very high96.6Very high137 Ų13742.1 Ų42.173%0.73322%0.217SC*.THydrogen-bonded Turntrans56.342.8-176.5-166.665.2000112.8L204 H205 H206L204-N208 PolarHBondContact O-N 2.84Å; H205-N208 WeakPolarHBondContact O-CA 3.33Å; H205-N208 PolarHBondContact O-N 3.44Å; H206-N208 PolarHBondContact O-N 2.78Å
209V97.4Very high96.5Very high3 Ų340.9 Ų40.92%0.01821%0.21CC..  trans-124.83.7179.4-54.90000113.1L171 F179 L204 A207 H211L171-V209 HydrophobicContact CD1-CG1 4.47Å; L171-V209 HydrophobicContact CD1-CG2 3.85Å; F179-V209 HydrophobicContact CD2-CB 3.94Å; F179-V209 HydrophobicContact CD2-CG2 3.94Å; F179-V209 WeakPolarHBondContact CD2-O 3.35Å; F179-V209 HydrophobicContact CE2-CG2 4.27Å; L204-V209 HydrophobicContact CB-CG2 4.43Å; L204-V209 HydrophobicContact CD2-CG2 3.79Å; L204-V209 PolarHBondContact O-N 3.39Å; L204-V209 VanDerWaalsContact O-N 3.11Å; A207-V209 VanDerWaalsContact C-N 3.31Å; A207-V209 HydrophobicContact CB-CG1 4.3Å; A207-V209 HydrophobicContact CB-CG2 4.07Å; A207-V209 WeakPolarHBondContact O-CG1 3.46Å; A207-V209 PolarHBondContact O-N 2.82Å; V209-H211 PolarHBondContact O-CD2 3.22Å; V209-H211 PolarHBondContact O-N 2.9Å
210Y97.5Very high96.5Very high57 Ų5743.6 Ų43.622%0.22422%0.222CC..  trans-87.3107.9177.3-155.5166.6000110.1D201 L204 H205 M214 V216D201-Y210 HydrophobicContact CB-CE1 4.49Å; D201-Y210 VanDerWaalsContact OD1-CE1 3.31Å; D201-Y210 WeakPolarHBondContact OD1-CE1 3.16Å; L204-Y210 HydrophobicContact CB-CD1 3.92Å; L204-Y210 HydrophobicContact CB-CG 4.07Å; L204-Y210 HydrophobicContact CD1-CD1 4.47Å; L204-Y210 PolarHBondContact O-N 2.92Å; H205-Y210 AromaticContact CE1-CD1 3.14Å; H205-Y210 WeakPolarHBondContact CE1-CD1 3.14Å; H205-Y210 AromaticContact CE1-CE1 3.41Å; H205-Y210 VanDerWaalsContact CE1-CE1 3.41Å; H205-Y210 WeakPolarHBondContact CE1-CE1 3.35Å; H205-Y210 AromaticContact CG-CD1 3.93Å; H205-Y210 AromaticContact ND1-CD1 3.35Å; H205-Y210 WeakPolarHBondContact ND1-CD1 3.37Å; H205-Y210 AromaticContact ND1-CE1 3.86Å; H205-Y210 AromaticContact NE2-CD1 3.62Å; Y210-M214 HydrophobicContact CD2-CB 3.78Å; Y210-M214 HydrophobicContact CD2-CE 4.45Å; Y210-M214 HydrophobicContact CD2-CG 4.44Å; Y210-M214 HydrophobicContact CD2-SD 4.11Å; Y210-M214 HydrophobicContact CE2-CB 3.66Å; Y210-V216 HydrophobicContact CE1-CG2 4.22Å
211H97.5Very high96.5Very high33 Ų3344.2 Ų44.215%0.15323%0.225CC..  trans-106.9162.5-179-57.9-83.9000112.5Q180 S183 V209 N213 M214Q180-H211 PolarHBondContact OE1-CE1 3.48Å; Q180-H211 VanDerWaalsContact OE1-CE1 3.29Å; S183-H211 WeakPolarHBondContact OG-CB 3.22Å; V209-H211 PolarHBondContact O-CD2 3.22Å; V209-H211 PolarHBondContact O-N 2.9Å; H211-N213 WeakPolarHBondContact CB-OD1 3.26Å; H211-N213 PolarHBondContact O-N 3.36Å; H211-N213 VanDerWaalsContact O-N 3.12Å; H211-M214 HydrophobicContact CB-CG 4.31Å; H211-M214 HydrophobicContact CB-SD 4.25Å; H211-M214 PolarHBondContact N-SD 2.71Å; H211-M214 VanDerWaalsContact N-SD 3.39Å; H211-M214 VanDerWaalsContact O-CB 3.29Å; H211-M214 WeakPolarHBondContact O-CB 3.27Å; H211-M214 WeakPolarHBondContact O-CG 3.32Å; H211-M214 PolarHBondContact O-N 3.31Å
212D96.2Very high96.4Very high175 Ų17546.9 Ų46.994%0.93624%0.236SC*.THydrogen-bonded Turntrans-62.9-20.1-175.7-64.1-19.2000114.7M214D212-M214 PolarHBondContact O-N 3.28Å
213N96Very high96.4Very high29 Ų2947.4 Ų47.416%0.15524%0.237CC..THydrogen-bonded Turntrans-82.10.7175.261.8-59.6000113.2S183 I187 P188 V189 H211S183-N213 WeakPolarHBondContact CA-OD1 3.34Å; S183-N213 WeakPolarHBondContact CB-OD1 3.37Å; S183-N213 PolarHBondContact OG-OD1 2.64Å; S183-N213 VanDerWaalsContact OG-OD1 3.09Å; I187-N213 PolarHBondContact O-ND2 3.2Å; P188-N213 WeakPolarHBondContact CA-O 3.32Å; V189-N213 PolarHBondContact N-O 3.46Å; H211-N213 WeakPolarHBondContact CB-OD1 3.26Å; H211-N213 PolarHBondContact O-N 3.36Å; H211-N213 VanDerWaalsContact O-N 3.12Å
214M96.3Very high96.4Very high16 Ų1649.5 Ų49.58%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-105.1151-175.8-52.6179.158.200112F179 V189 V191 L204 Y210 H211 D212F179-M214 HydrophobicContact CB-SD 4.44Å; F179-M214 HydrophobicContact CD1-CE 4.36Å; F179-M214 HydrophobicContact CD2-CE 3.65Å; F179-M214 HydrophobicContact CD2-SD 3.96Å; F179-M214 HydrophobicContact CE1-CE 4.13Å; F179-M214 HydrophobicContact CE2-CE 3.39Å; F179-M214 HydrophobicContact CE2-SD 4.33Å; F179-M214 HydrophobicContact CG-CE 4.15Å; F179-M214 HydrophobicContact CG-SD 4.13Å; F179-M214 HydrophobicContact CZ-CE 3.64Å; V189-M214 HydrophobicContact CB-CB 4.32Å; V189-M214 HydrophobicContact CB-CG 3.93Å; V189-M214 HydrophobicContact CG1-CE 4.33Å; V189-M214 HydrophobicContact CG2-CG 4.27Å; V189-M214 CarbonylContact O-C 3.07Å; V189-M214 VanDerWaalsContact O-CA 3.29Å; V189-M214 WeakPolarHBondContact O-CA 3.49Å; V191-M214 HydrophobicContact CG2-CE 4.05Å; L204-M214 HydrophobicContact CD1-CE 4.46Å; Y210-M214 HydrophobicContact CD2-CB 3.78Å; Y210-M214 HydrophobicContact CD2-CE 4.45Å; Y210-M214 HydrophobicContact CD2-CG 4.44Å; Y210-M214 HydrophobicContact CD2-SD 4.11Å; Y210-M214 HydrophobicContact CE2-CB 3.66Å; H211-M214 HydrophobicContact CB-CG 4.31Å; H211-M214 HydrophobicContact CB-SD 4.25Å; H211-M214 PolarHBondContact N-SD 2.71Å; H211-M214 VanDerWaalsContact N-SD 3.39Å; H211-M214 VanDerWaalsContact O-CB 3.29Å; H211-M214 WeakPolarHBondContact O-CB 3.27Å; H211-M214 WeakPolarHBondContact O-CG 3.32Å; H211-M214 PolarHBondContact O-N 3.31Å; D212-M214 PolarHBondContact O-N 3.28Å
215R94.5Very high96.4Very high58 Ų5857.7 Ų57.722%0.21929%0.292CS..EExtended strand (participates in β ladder)trans-138.4138170.3176.6-179.8174.4-178.51.2109.8V189 L190 V191 V217 I248 N249 I252V189-R215 PolarHBondContact O-N 3.31Å; L190-R215 WeakPolarHBondContact CA-O 3.05Å; L190-R215 HydrophobicContact CD1-CG 4.43Å; V191-R215 PolarHBondContact N-O 3.28Å; R215-V217 HydrophobicContact CG-CG2 4.38Å; R215-I248 PolarHBondContact NH2-O 3.16Å; R215-N249 PolarHBondContact NH1-O 2.82Å; R215-N249 PolarHBondContact NH2-O 3.19Å; R215-I252 HydrophobicContact CB-CD1 4.08Å
216V95.5Very high96.3Very high9 Ų959.6 Ų59.66%0.05531%0.305CS..EExtended strand (participates in β ladder)trans-98.8131.8169.7-179.50000110V191 I200 L204 Y210 F220V191-V216 HydrophobicContact CB-CG2 4.14Å; V191-V216 CarbonylContact O-C 3.6Å; V191-V216 WeakPolarHBondContact O-CA 3.41Å; I200-V216 HydrophobicContact CB-CG1 4.47Å; I200-V216 HydrophobicContact CG2-CG1 3.96Å; I200-V216 HydrophobicContact CG2-CG2 4.27Å; L204-V216 HydrophobicContact CD1-CG2 3.82Å; Y210-V216 HydrophobicContact CE1-CG2 4.22Å; V216-F220 HydrophobicContact CB-CZ 3.99Å; V216-F220 HydrophobicContact CG1-CE2 4.1Å; V216-F220 HydrophobicContact CG1-CZ 3.72Å
217V95.6Very high96.4Very high14 Ų1455.7 Ų55.79%0.08529%0.292CS..EExtended strand (participates in β ladder)trans-123.2116.3167.8174.70000107.7L190 V191 F192 S193 R215 I237 I247L190-V217 HydrophobicContact CD1-CB 4.03Å; L190-V217 HydrophobicContact CD1-CG2 3.55Å; V191-V217 PolarHBondContact O-N 3.24Å; F192-V217 WeakPolarHBondContact CA-O 3.37Å; F192-V217 HydrophobicContact CD2-CB 4.09Å; F192-V217 HydrophobicContact CD2-CG1 3.87Å; F192-V217 HydrophobicContact CE2-CB 4.47Å; F192-V217 HydrophobicContact CE2-CG1 3.77Å; S193-V217 PolarHBondContact N-O 2.84Å; R215-V217 HydrophobicContact CG-CG2 4.38Å; V217-I237 HydrophobicContact CG1-CD1 3.62Å; V217-I247 HydrophobicContact CG1-CG1 4.23Å; V217-I247 HydrophobicContact CG2-CG2 4.02Å
218S96.8Very high96.5Very high4 Ų458 Ų583%0.02829%0.293CS..EExtended strand (participates in β ladder)trans-164-173.9-175-163.90000111S193 G195 F220S193-S218 WeakPolarHBondContact O-CA 3.43Å; S193-S218 VanDerWaalsContact O-CB 3.31Å; S193-S218 WeakPolarHBondContact O-CB 3.29Å; S193-S218 PolarHBondContact O-OG 3.15Å; G195-S218 PolarHBondContact O-OG 3.04Å; S218-F220 WeakPolarHBondContact O-CD2 3.43Å; S218-F220 PolarHBondContact O-N 3.27Å; S218-F220 VanDerWaalsContact O-N 3.11Å
219N97.1Very high96.4Very high0 Ų051.5 Ų51.50%026%0.259CS..EExtended strand (participates in β ladder)trans-78.691.7175.7-57.4-68.1000109.5A194 G195 G197 F232 I237A194-N219 PolarHBondContact O-ND2 2.82Å; G195-N219 WeakPolarHBondContact O-CB 3.31Å; G195-N219 PolarHBondContact O-N 3.3Å; G195-N219 PolarHBondContact O-ND2 3.19Å; G197-N219 PolarHBondContact N-O 3.2Å; N219-F232 HydrophobicContact CB-CD1 4.19Å; N219-I237 PolarHBondContact ND2-O 2.95Å; N219-I237 PolarHBondContact OD1-N 2.81Å
220F97Very high96.4Very high56 Ų5655.9 Ų55.925%0.24628%0.281CS..  trans-82138.7178.3-77.7-85.6000111.7D198 D201 V216 S218 F232 S233D198-F220 WeakPolarHBondContact OD2-CA 3.36Å; D198-F220 WeakPolarHBondContact OD2-CD1 2.91Å; D201-F220 HydrophobicContact CB-CE1 4.24Å; V216-F220 HydrophobicContact CB-CZ 3.99Å; V216-F220 HydrophobicContact CG1-CE2 4.1Å; V216-F220 HydrophobicContact CG1-CZ 3.72Å; S218-F220 WeakPolarHBondContact O-CD2 3.43Å; S218-F220 PolarHBondContact O-N 3.27Å; S218-F220 VanDerWaalsContact O-N 3.11Å; F220-F232 CarbonylContact O-C 3.52Å; F220-F232 VanDerWaalsContact O-CA 3.26Å; F220-F232 WeakPolarHBondContact O-CA 3.43Å; F220-S233 PolarHBondContact N-OG 2.87Å; F220-S233 PolarHBondContact O-N 3.16Å; F220-S233 PolarHBondContact O-OG 2.67Å
221M97Very high96.4Very high13 Ų1353.6 Ų53.66%0.06428%0.275CS..EExtended strand (participates in β ladder)trans-73.3145.7173.7-70.1-175.2-170.700111F100 I150 L160 L196 D198 F223 L229 F232F100-M221 HydrophobicContact CD2-CE 3.81Å; F100-M221 HydrophobicContact CE2-CE 3.97Å; I150-M221 HydrophobicContact CG2-CE 4.32Å; L160-M221 HydrophobicContact CD2-CE 4.29Å; L160-M221 HydrophobicContact CD2-SD 3.73Å; L196-M221 HydrophobicContact CD1-CE 3.88Å; L196-M221 HydrophobicContact CD2-CE 3.91Å; L196-M221 HydrophobicContact CG-CE 4.36Å; D198-M221 WeakPolarHBondContact OD2-CB 3.47Å; D198-M221 PolarHBondContact OD2-N 2.87Å; M221-F223 HydrophobicContact CB-CD2 4.23Å; M221-F223 HydrophobicContact CB-CE2 3.49Å; M221-F223 VanDerWaalsContact CB-CE2 3.49Å; M221-F223 HydrophobicContact CB-CZ 3.74Å; M221-F223 HydrophobicContact CG-CZ 4.36Å; M221-F223 HydrophobicContact SD-CE1 4.49Å; M221-F223 HydrophobicContact SD-CE2 4.37Å; M221-F223 HydrophobicContact SD-CZ 3.71Å; M221-L229 HydrophobicContact CB-CD1 3.56Å; M221-L229 HydrophobicContact CG-CD1 3.76Å; M221-L229 HydrophobicContact SD-CD1 4.02Å; M221-L229 HydrophobicContact SD-CD2 4.16Å; M221-F232 HydrophobicContact CE-CE1 4.32Å; M221-F232 HydrophobicContact CE-CZ 4.12Å; M221-F232 HydrophobicContact CG-CD1 4.2Å; M221-F232 HydrophobicContact CG-CE1 3.56Å; M221-F232 HydrophobicContact CG-CZ 3.84Å
222Q97.1Very high96.4Very high96 Ų9653 Ų5345%0.44927%0.272SS..EExtended strand (participates in β ladder)trans-107.9117.3172.1-65.6-177.5-10.300108.9I230 G231Q222-I230 HydrophobicContact CB-CG1 4.33Å; Q222-I230 WeakPolarHBondContact O-CG1 3.42Å; Q222-I230 PolarHBondContact O-N 3.2Å; Q222-G231 PolarHBondContact N-O 3.1Å; Q222-G231 PolarHBondContact O-N 3.3Å
223F96.6Very high96.2Very high43 Ų4346.2 Ų46.219%0.18924%0.238CC..EExtended strand (participates in β ladder)trans-103.9143.1176.8-60.5-85.9000110.5K157 L160 M221 G227 K228 L229K157-F223 HydrophobicContact CB-CD1 3.81Å; K157-F223 HydrophobicContact CB-CD2 4.42Å; K157-F223 HydrophobicContact CB-CE1 3.84Å; K157-F223 HydrophobicContact CB-CE2 4.44Å; K157-F223 HydrophobicContact CB-CG 4.11Å; K157-F223 HydrophobicContact CB-CZ 4.16Å; K157-F223 HydrophobicContact CD-CD2 4.24Å; K157-F223 HydrophobicContact CD-CG 4.47Å; K157-F223 HydrophobicContact CG-CD2 4.36Å; K157-F223 HydrophobicContact CG-CE1 4.47Å; K157-F223 HydrophobicContact CG-CE2 4.24Å; K157-F223 HydrophobicContact CG-CZ 4.3Å; L160-F223 HydrophobicContact CD2-CZ 4.07Å; M221-F223 HydrophobicContact CB-CD2 4.23Å; M221-F223 HydrophobicContact CB-CE2 3.49Å; M221-F223 VanDerWaalsContact CB-CE2 3.49Å; M221-F223 HydrophobicContact CB-CZ 3.74Å; M221-F223 HydrophobicContact CG-CZ 4.36Å; M221-F223 HydrophobicContact SD-CE1 4.49Å; M221-F223 HydrophobicContact SD-CE2 4.37Å; M221-F223 HydrophobicContact SD-CZ 3.71Å; F223-G227 VanDerWaalsContact CD1-O 3.27Å; F223-G227 WeakPolarHBondContact CD1-O 3.46Å; F223-K228 CarbonylContact C-O 3.28Å; F223-K228 WeakPolarHBondContact CA-O 3.31Å; F223-L229 HydrophobicContact CD1-CB 4.16Å; F223-L229 HydrophobicContact CE1-CB 3.96Å; F223-L229 HydrophobicContact CE1-CD1 4.28Å; F223-L229 HydrophobicContact CZ-CD1 4.49Å
224N96.9Very high96Very high51 Ų5149.5 Ų49.527%0.27326%0.263SS..  trans-78.7177.4171.169.719.9000112N226 G227 K228 I230N224-N226 PolarHBondContact O-N 3.27Å; N224-N226 WeakPolarHBondContact OD1-CA 3.33Å; N224-N226 WeakPolarHBondContact OD1-CB 3.44Å; N224-N226 PolarHBondContact OD1-N 3.12Å; N224-G227 WeakPolarHBondContact O-CA 3.27Å; N224-G227 PolarHBondContact O-N 3.4Å; N224-G227 PolarHBondContact OD1-N 3.1Å; N224-K228 PolarHBondContact N-O 2.93Å; N224-K228 PolarHBondContact OD1-N 3.05Å; N224-I230 HydrophobicContact CB-CD1 4.14Å; N224-I230 HydrophobicContact CB-CG1 4.49Å; N224-I230 HydrophobicContact CB-CG2 4Å
225D96.8Very high95.9Very high172 Ų17251 Ų5192%0.9227%0.274SS*.THydrogen-bonded Turntrans-58.5-21.7-179.1-61.8-23.7000114.2G227D225-G227 VanDerWaalsContact C-N 3.33Å
226N96Very high95.9Very high139 Ų13949.7 Ų49.774%0.74327%0.271SS*.THydrogen-bonded Turntrans-90.32.5176.3-61.5-46.3000112.8Q156 N224 K228Q156-N226 PolarHBondContact OE1-O 2.74Å; N224-N226 PolarHBondContact O-N 3.27Å; N224-N226 WeakPolarHBondContact OD1-CA 3.33Å; N224-N226 WeakPolarHBondContact OD1-CB 3.44Å; N224-N226 PolarHBondContact OD1-N 3.12Å; N226-K228 VanDerWaalsContact C-N 3.34Å
227G95.9Very high95.9Very high18 Ų1849.4 Ų49.419%0.18627%0.269CS..SBendtrans79.410.2-17800000114.6Q156 K157 F223 N224 D225Q156-G227 CarbonylContact C-O 3.52Å; Q156-G227 WeakPolarHBondContact CA-O 3.35Å; Q156-G227 PolarHBondContact OE1-O 2.74Å; K157-G227 PolarHBondContact N-O 3.25Å; F223-G227 VanDerWaalsContact CD1-O 3.27Å; F223-G227 WeakPolarHBondContact CD1-O 3.46Å; N224-G227 WeakPolarHBondContact O-CA 3.27Å; N224-G227 PolarHBondContact O-N 3.4Å; N224-G227 PolarHBondContact OD1-N 3.1Å; D225-G227 VanDerWaalsContact C-N 3.33Å
228K96Very high95.8Very high94 Ų9448.8 Ų48.841%0.40927%0.266SS..BIsolated β-bridgetrans-84.7134.9177.6-172.7-175.3177.2-177.80110.5G154 F223 N224 N226 I230G154-K228 VanDerWaalsContact CA-CE 3.44Å; F223-K228 CarbonylContact C-O 3.28Å; F223-K228 WeakPolarHBondContact CA-O 3.31Å; N224-K228 PolarHBondContact N-O 2.93Å; N224-K228 PolarHBondContact OD1-N 3.05Å; N226-K228 VanDerWaalsContact C-N 3.34Å; K228-I230 PolarHBondContact O-N 2.88Å
229L95.7Very high95.5Very high2 Ų249.2 Ų49.21%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-60.6129.3172.2-179.262000111I150 I151 I155 M221 F223 G231I150-L229 HydrophobicContact CG2-CD2 3.51Å; I151-L229 HydrophobicContact CG1-CG 4.41Å; I155-L229 WeakPolarHBondContact O-CB 3.41Å; I155-L229 PolarHBondContact O-N 2.76Å; M221-L229 HydrophobicContact CB-CD1 3.56Å; M221-L229 HydrophobicContact CG-CD1 3.76Å; M221-L229 HydrophobicContact SD-CD1 4.02Å; M221-L229 HydrophobicContact SD-CD2 4.16Å; F223-L229 HydrophobicContact CD1-CB 4.16Å; F223-L229 HydrophobicContact CE1-CB 3.96Å; F223-L229 HydrophobicContact CE1-CD1 4.28Å; F223-L229 HydrophobicContact CZ-CD1 4.49Å; L229-G231 WeakPolarHBondContact CD1-O 3.42Å
230I96.9Very high95.2Very high95 Ų9550.9 Ų50.949%0.48728%0.275SS..EExtended strand (participates in β ladder)trans-130.2-8.8-179.658.2161.6000114Q222 N224 K228Q222-I230 HydrophobicContact CB-CG1 4.33Å; Q222-I230 WeakPolarHBondContact O-CG1 3.42Å; Q222-I230 PolarHBondContact O-N 3.2Å; N224-I230 HydrophobicContact CB-CD1 4.14Å; N224-I230 HydrophobicContact CB-CG1 4.49Å; N224-I230 HydrophobicContact CB-CG2 4Å; K228-I230 PolarHBondContact O-N 2.88Å
231G97Very high95.1Very high8 Ų849.6 Ų49.68%0.08227%0.271CS..EExtended strand (participates in β ladder)trans178.2-174-175.800000113.4Q222 L229Q222-G231 PolarHBondContact N-O 3.1Å; Q222-G231 PolarHBondContact O-N 3.3Å; L229-G231 WeakPolarHBondContact CD1-O 3.42Å
232F96.9Very high94.9Very high22 Ų2249.3 Ų49.310%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-128.2151.8171.6-78.4-94.3000110.5H147 I150 I151 L196 N219 F220 M221H147-F232 HydrophobicContact CB-CD2 3.6Å; H147-F232 HydrophobicContact CB-CE2 3.76Å; H147-F232 HydrophobicContact CB-CG 4.38Å; H147-F232 AromaticContact CD2-CE2 3.83Å; H147-F232 AromaticContact CD2-CZ 3.88Å; H147-F232 AromaticContact CE1-CD1 3.95Å; H147-F232 AromaticContact CE1-CG 3.92Å; H147-F232 AromaticContact CG-CD2 3.51Å; H147-F232 AromaticContact CG-CE2 3.7Å; H147-F232 AromaticContact CG-CG 3.85Å; H147-F232 AromaticContact ND1-CD2 3.74Å; H147-F232 AromaticContact ND1-CG 3.61Å; I150-F232 HydrophobicContact CB-CE2 4.26Å; I150-F232 HydrophobicContact CB-CZ 4.41Å; I150-F232 HydrophobicContact CD1-CZ 4.42Å; I150-F232 HydrophobicContact CG2-CE2 3.92Å; I150-F232 HydrophobicContact CG2-CZ 3.79Å; I151-F232 HydrophobicContact CD1-CD2 4.15Å; I151-F232 HydrophobicContact CG1-CD2 4.19Å; I151-F232 HydrophobicContact CG1-CE2 4.18Å; L196-F232 HydrophobicContact CD2-CE1 3.54Å; L196-F232 HydrophobicContact CD2-CZ 3.86Å; N219-F232 HydrophobicContact CB-CD1 4.19Å; F220-F232 CarbonylContact O-C 3.52Å; F220-F232 VanDerWaalsContact O-CA 3.26Å; F220-F232 WeakPolarHBondContact O-CA 3.43Å; M221-F232 HydrophobicContact CE-CE1 4.32Å; M221-F232 HydrophobicContact CE-CZ 4.12Å; M221-F232 HydrophobicContact CG-CD1 4.2Å; M221-F232 HydrophobicContact CG-CE1 3.56Å; M221-F232 HydrophobicContact CG-CZ 3.84Å
233S93.4Very high94.7Very high32 Ų3246.7 Ų46.722%0.22426%0.26CS..PPolyproline II helixtrans-66.7137.9170.761.90000110.8F220F220-S233 PolarHBondContact N-OG 2.87Å; F220-S233 PolarHBondContact O-N 3.16Å; F220-S233 PolarHBondContact O-OG 2.67Å
234S91.4Very high94.3Very high97 Ų9745.1 Ų45.168%0.67826%0.255SS*.SBendtrans-88.7156.9170-50.90000111.8I248S234-I248 WeakPolarHBondContact O-CD1 3.41Å
235P93.8Very high93.8Very high49 Ų4946.1 Ų46.132%0.31828%0.278SS..SBendcis-73.4161.1-8.835.2-37.5000111.6I237 S246P235-I237 PolarHBondContact O-N 2.62Å; P235-S246 WeakPolarHBondContact CG-O 3.35Å
236I95.2Very high93.3Very high29 Ų2938.9 Ų38.915%0.14924%0.24CC..PPolyproline II helixtrans-62.6128.1164.9-69.5173.2000108.2L140 W143 E144 N241L140-I236 HydrophobicContact CD2-CB 4.48Å; W143-I236 HydrophobicContact CB-CD1 4.41Å; W143-I236 HydrophobicContact CB-CG2 3.54Å; W143-I236 HydrophobicContact CG-CG2 4.05Å; E144-I236 HydrophobicContact CB-CD1 4.39Å; E144-I236 HydrophobicContact CG-CD1 3.43Å; E144-I236 VanDerWaalsContact CG-CD1 3.43Å; I236-N241 PolarHBondContact O-ND2 2.63Å
237I95.3Very high92.9Very high4 Ų433 Ų332%0.02121%0.209CC..PPolyproline II helixtrans-100.2123.7173.2-62.4161.7000108F192 A194 V217 N219 P235 N241 K242F192-I237 HydrophobicContact CD2-CG2 4.35Å; F192-I237 HydrophobicContact CE2-CD1 3.96Å; F192-I237 HydrophobicContact CE2-CG1 4.29Å; F192-I237 HydrophobicContact CE2-CG2 3.81Å; A194-I237 HydrophobicContact CB-CG2 4.35Å; V217-I237 HydrophobicContact CG1-CD1 3.62Å; N219-I237 PolarHBondContact ND2-O 2.95Å; N219-I237 PolarHBondContact OD1-N 2.81Å; P235-I237 PolarHBondContact O-N 2.62Å; I237-N241 WeakPolarHBondContact CA-OD1 3.18Å; I237-K242 HydrophobicContact CG2-CG 3.96Å
238H93.3Very high92Very high1 Ų136.8 Ų36.81%0.00522%0.224CC..  trans-132.3169.6176.466.983.9000110.5M139 W143 F240 N241M139-H238 HydrophobicContact CB-CB 4.11Å; W143-H238 VanDerWaalsContact NE1-CB 3.34Å; H238-F240 PolarHBondContact ND1-N 3.43Å; H238-F240 PolarHBondContact O-N 3.17Å; H238-N241 VanDerWaalsContact CD2-CG 3.43Å; H238-N241 PolarHBondContact CD2-ND2 2.99Å; H238-N241 VanDerWaalsContact CD2-ND2 3.27Å; H238-N241 PolarHBondContact N-OD1 2.99Å; H238-N241 PolarHBondContact NE2-ND2 3.07Å; H238-N241 PolarHBondContact O-N 3.16Å; H238-N241 VanDerWaalsContact O-N 3.1Å; H238-N241 PolarHBondContact O-OD1 3.08Å
239V90.6Very high90.8Very high13 Ų1338.1 Ų38.18%0.07924%0.235CC..THydrogen-bonded Turntrans-53.7-33.1-171.865.80000114.7E125 G266E125-V239 HydrophobicContact CG-CG1 3.93Å; V239-G266 WeakPolarHBondContact O-CA 3.41Å
240F91.3Very high89.3Confident34 Ų3441 Ų4115%0.14925%0.251CS..THydrogen-bonded Turntrans-96.10.7-177.3-49.3-59000115.4E125 E132 K135 M139 H238E125-F240 HydrophobicContact CG-CE2 4.18Å; E125-F240 HydrophobicContact CG-CZ 3.93Å; E132-F240 HydrophobicContact CB-CB 4.49Å; E132-F240 HydrophobicContact CB-CD1 4.18Å; E132-F240 HydrophobicContact CB-CG 4.38Å; E132-F240 HydrophobicContact CG-CD1 3.85Å; E132-F240 HydrophobicContact CG-CE1 4.25Å; K135-F240 HydrophobicContact CB-CD2 3.87Å; K135-F240 HydrophobicContact CB-CE2 3.5Å; K135-F240 HydrophobicContact CB-CZ 4.2Å; K135-F240 HydrophobicContact CD-CE1 4.31Å; K135-F240 HydrophobicContact CD-CE2 3.69Å; K135-F240 HydrophobicContact CD-CZ 3.51Å; K135-F240 HydrophobicContact CG-CE2 4.25Å; M139-F240 HydrophobicContact CG-CD2 3.57Å; M139-F240 HydrophobicContact CG-CE2 3.56Å; M139-F240 HydrophobicContact SD-CE2 4.09Å; H238-F240 PolarHBondContact ND1-N 3.43Å; H238-F240 PolarHBondContact O-N 3.17Å
241N93.2Very high87.5Confident30 Ų3041.6 Ų41.616%0.1626%0.263CS..  trans-119.512.7177.479.5-5.3000113.6I236 I237 H238 T243 S246I236-N241 PolarHBondContact O-ND2 2.63Å; I237-N241 WeakPolarHBondContact CA-OD1 3.18Å; H238-N241 VanDerWaalsContact CD2-CG 3.43Å; H238-N241 PolarHBondContact CD2-ND2 2.99Å; H238-N241 VanDerWaalsContact CD2-ND2 3.27Å; H238-N241 PolarHBondContact N-OD1 2.99Å; H238-N241 PolarHBondContact NE2-ND2 3.07Å; H238-N241 PolarHBondContact O-N 3.16Å; H238-N241 VanDerWaalsContact O-N 3.1Å; H238-N241 PolarHBondContact O-OD1 3.08Å; N241-T243 VanDerWaalsContact C-N 3.3Å; N241-T243 PolarHBondContact O-N 3.25Å; N241-S246 WeakPolarHBondContact O-CB 3.27Å; N241-S246 PolarHBondContact O-OG 3.3Å
242K94.1Very high85.6Confident6 Ų644.2 Ų44.23%0.02628%0.275CS..  trans-70.883.7175.4-73.1-176.9178.7179.20111.2D78 F192 I237 D267 H269 M270D78-K242 IonicContact OD1-NZ 3.33Å; D78-K242 PolarHBondContact OD1-NZ 2.95Å; F192-K242 HydrophobicContact CD1-CB 4.41Å; F192-K242 HydrophobicContact CD2-CG 4.46Å; F192-K242 HydrophobicContact CE1-CB 4.1Å; F192-K242 HydrophobicContact CE2-CG 4.31Å; F192-K242 HydrophobicContact CZ-CB 4.17Å; F192-K242 HydrophobicContact CZ-CG 4.43Å; F192-K242 PolarHBondContact O-NZ 3.38Å; I237-K242 HydrophobicContact CG2-CG 3.96Å; K242-D267 VanDerWaalsContact CD-OD1 3.32Å; K242-D267 WeakPolarHBondContact CD-OD1 3.42Å; K242-D267 IonicContact NZ-OD1 3.61Å; K242-D267 PolarHBondContact NZ-OD1 3.03Å; K242-H269 CarbonylContact O-C 3.59Å; K242-M270 HydrophobicContact CB-CG 3.87Å; K242-M270 HydrophobicContact CD-CG 4.12Å; K242-M270 HydrophobicContact CD-SD 4.17Å; K242-M270 VanDerWaalsContact O-CA 3.25Å; K242-M270 WeakPolarHBondContact O-CA 3.34Å; K242-M270 PolarHBondContact O-N 3.13Å
243T93.1Very high83.8Confident41 Ų4148 Ų4825%0.25230%0.301SS..SBendtrans-136.1168174.270.10000110F192 N241 G245 S246 H269 D272F192-T243 WeakPolarHBondContact CE1-O 3.27Å; F192-T243 WeakPolarHBondContact CZ-O 3.49Å; N241-T243 VanDerWaalsContact C-N 3.3Å; N241-T243 PolarHBondContact O-N 3.25Å; T243-G245 PolarHBondContact O-N 3.12Å; T243-G245 PolarHBondContact OG1-N 2.95Å; T243-S246 PolarHBondContact O-N 3.33Å; T243-H269 HydrophobicContact CG2-CB 4.19Å; T243-D272 HydrophobicContact CG2-CB 4.26Å
244A87.2Confident83.1Confident10 Ų1051 Ų518%0.08331%0.31CS..G310 helixtrans-59.6-20.817500000113.3S246 I247 D272 A274A244-S246 VanDerWaalsContact C-N 3.28Å; A244-S246 PolarHBondContact O-N 3.12Å; A244-I247 PolarHBondContact O-N 3.41Å; A244-D272 WeakPolarHBondContact CB-O 3.41Å; A244-D272 PolarHBondContact N-O 2.81Å; A244-A274 HydrophobicContact CB-CB 4.05Å
245G85.9Confident83.1Confident73 Ų7348.2 Ų48.275%0.75329%0.285SS*.G310 helixtrans-69.2-23.4175.800000113.9T243T243-G245 PolarHBondContact O-N 3.12Å; T243-G245 PolarHBondContact OG1-N 2.95Å
246S87.2Confident83.1Confident19 Ų1948 Ų4813%0.13328%0.284CS..G310 helixtrans-88.2-8179.7-57.20000113P235 N241 T243 A244 I248P235-S246 WeakPolarHBondContact CG-O 3.35Å; N241-S246 WeakPolarHBondContact O-CB 3.27Å; N241-S246 PolarHBondContact O-OG 3.3Å; T243-S246 PolarHBondContact O-N 3.33Å; A244-S246 VanDerWaalsContact C-N 3.28Å; A244-S246 PolarHBondContact O-N 3.12Å; S246-I248 PolarHBondContact O-N 3.5Å
247I86.9Confident83.1Confident17 Ų1746.8 Ų46.89%0.08728%0.278CS..  trans-86.9107.7-179-53.6180000109.8L190 F192 V217 A244L190-I247 HydrophobicContact CD2-CD1 3.55Å; F192-I247 HydrophobicContact CD1-CD1 4.31Å; F192-I247 HydrophobicContact CE1-CD1 4.01Å; F192-I247 HydrophobicContact CE1-CG1 4.01Å; F192-I247 HydrophobicContact CE2-CG1 4.47Å; F192-I247 HydrophobicContact CZ-CD1 4.38Å; F192-I247 HydrophobicContact CZ-CG1 3.89Å; V217-I247 HydrophobicContact CG1-CG1 4.23Å; V217-I247 HydrophobicContact CG2-CG2 4.02Å; A244-I247 PolarHBondContact O-N 3.41Å
248I78.3Confident83.2Confident97 Ų9746.6 Ų46.650%0.49728%0.277SS..SBendtrans-71.9139.8168.6-56.4-172.5000109.4R215 S234 S246R215-I248 PolarHBondContact NH2-O 3.16Å; S234-I248 WeakPolarHBondContact O-CD1 3.41Å; S246-I248 PolarHBondContact O-N 3.5Å
249N69.4Low83.4Confident121 Ų12146.6 Ų46.665%0.64728%0.276SS*.  trans60.667-179-59.4-30.9000113.1R215 S251R215-N249 PolarHBondContact NH1-O 2.82Å; R215-N249 PolarHBondContact NH2-O 3.19Å; N249-S251 PolarHBondContact O-N 3.31Å
250N65.9Low83.8Confident63 Ų6346 Ų4634%0.33727%0.273SS..  trans-8143.2-177.5-144.6-6.2000112.9I252 K254N250-I252 VanDerWaalsContact C-N 3.27Å; N250-I252 PolarHBondContact O-N 3.34Å; N250-K254 WeakPolarHBondContact ND2-CE 3.4Å; N250-K254 PolarHBondContact ND2-NZ 3.41Å
251S57.8Low84.1Confident107 Ų10744.3 Ų44.375%0.74827%0.265SS*.  trans-79.23.4-170.142.10000115.3N249N249-S251 PolarHBondContact O-N 3.31Å
252I57.4Low84.4Confident63 Ų6342.9 Ų42.932%0.32326%0.258SS..SBendtrans-82.7135.1174.3-60.3177000108.2P188 R215 N250 K254P188-I252 HydrophobicContact CB-CG2 4.36Å; R215-I252 HydrophobicContact CB-CD1 4.08Å; N250-I252 VanDerWaalsContact C-N 3.27Å; N250-I252 PolarHBondContact O-N 3.34Å; I252-K254 PolarHBondContact O-N 3.22Å
253P60.3Low84.5Confident101 Ų10143.9 Ų43.966%0.65626%0.263SS*.  trans-60.4108.3174.822.5-31000109.7R255P253-R255 PolarHBondContact O-N 2.72Å
254K78.5Confident84.6Confident96 Ų9642.6 Ų42.642%0.41726%0.256SS..  trans-59.2131.5175.6-66.6178.1170.4-172.20109.4N250 I252 G273N250-K254 WeakPolarHBondContact ND2-CE 3.4Å; N250-K254 PolarHBondContact ND2-NZ 3.41Å; I252-K254 PolarHBondContact O-N 3.22Å; K254-G273 PolarHBondContact NZ-O 2.9Å
255R90.7Very high84.9Confident39 Ų3943.5 Ų43.515%0.14726%0.261CS..  trans-101.3139.8178.4-70.9-175174.6-173.71.8108.3K70 D71 K72 L73 E74 H186 P253 N257K70-R255 PolarHBondContact O-NH1 3.23Å; D71-R255 PolarHBondContact O-NE 3.29Å; K72-R255 WeakPolarHBondContact O-CB 3.35Å; L73-R255 WeakPolarHBondContact O-CD 3.41Å; L73-R255 PolarHBondContact O-NH1 2.87Å; E74-R255 HydrophobicContact CB-CB 3.97Å; E74-R255 HydrophobicContact CB-CG 4.41Å; E74-R255 HydrophobicContact CG-CB 4.02Å; E74-R255 PolarHBondContact OE1-N 3.09Å; E74-R255 VanDerWaalsContact OE1-O 3.1Å; H186-R255 PolarHBondContact O-NH2 3.05Å; P253-R255 PolarHBondContact O-N 2.72Å; R255-N257 PolarHBondContact O-N 3.25Å
256P93.6Very high85.2Confident45 Ų4540 Ų4029%0.29223%0.226SC..SBendtrans-67.2-22.7-172.627.8-35.8000112.2K72 T275 L283 G284 T285K72-P256 HydrophobicContact CB-CG 3.95Å; K72-P256 HydrophobicContact CD-CG 4.24Å; K72-P256 HydrophobicContact CG-CG 4.17Å; K72-P256 WeakPolarHBondContact O-CD 3.23Å; P256-T275 PolarHBondContact O-OG1 3.22Å; P256-L283 WeakPolarHBondContact CB-O 3.39Å; P256-G284 CarbonylContact O-C 3.49Å; P256-G284 WeakPolarHBondContact O-CA 3.48Å; P256-T285 PolarHBondContact O-N 3.39Å; P256-T285 VanDerWaalsContact O-N 3.13Å
257N95.9Very high85.7Confident3 Ų339.2 Ų39.22%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-112.1133.9-177.9-54.9-45000111.6L65 S68 K72 L73 E74 R255 T285L65-N257 HydrophobicContact CD2-CB 3.5Å; L65-N257 VanDerWaalsContact CD2-CB 3.5Å; S68-N257 WeakPolarHBondContact CB-ND2 3.13Å; S68-N257 PolarHBondContact OG-ND2 2.92Å; K72-N257 VanDerWaalsContact O-CB 3.26Å; K72-N257 WeakPolarHBondContact O-CB 3.26Å; K72-N257 PolarHBondContact O-N 3.47Å; L73-N257 CarbonylContact C-O 3.58Å; L73-N257 WeakPolarHBondContact CA-O 3.49Å; E74-N257 PolarHBondContact N-O 3.28Å; R255-N257 PolarHBondContact O-N 3.25Å; N257-T285 CarbonylContact C-O 3.53Å; N257-T285 VanDerWaalsContact CA-O 3.29Å; N257-T285 WeakPolarHBondContact CA-O 3.37Å; N257-T285 PolarHBondContact OD1-N 3.35Å
258V96.2Very high86.1Confident0 Ų038.8 Ų38.80%022%0.218CC..EExtended strand (participates in β ladder)trans-127131-174.7-1800000110.1E74 I76 L260 A271 T275 T285 V286 L287E74-V258 HydrophobicContact CG-CG2 3.78Å; E74-V258 WeakPolarHBondContact O-CA 3.26Å; I76-V258 HydrophobicContact CB-CG1 4.08Å; I76-V258 HydrophobicContact CD1-CG1 3.86Å; I76-V258 HydrophobicContact CD1-CG2 4.29Å; I76-V258 HydrophobicContact CG1-CG1 3.78Å; V258-L260 HydrophobicContact CG1-CB 4.17Å; V258-A271 HydrophobicContact CG1-CB 4.29Å; V258-A271 HydrophobicContact CG2-CB 4.48Å; V258-T275 HydrophobicContact CG2-CG2 3.69Å; V258-T285 PolarHBondContact N-O 3.02Å; V258-V286 HydrophobicContact CB-CG1 4.24Å; V258-V286 HydrophobicContact CB-CG2 4.24Å; V258-V286 HydrophobicContact CG1-CG1 4.36Å; V258-V286 WeakPolarHBondContact O-CA 3.45Å; V258-L287 PolarHBondContact O-N 2.84Å
259L97.8Very high86.9Confident0 Ų036.6 Ų36.60%021%0.205CC..EExtended strand (participates in β ladder)trans-92.5112155.6-179.363.4000107.9E74 I75 I76 F178 L261 L287 I289 I324E74-L259 PolarHBondContact O-N 3.1Å; I75-L259 HydrophobicContact CD1-CB 3.72Å; I75-L259 HydrophobicContact CD1-CD2 4.14Å; I75-L259 HydrophobicContact CD1-CG 4.45Å; I76-L259 PolarHBondContact N-O 2.91Å; F178-L259 HydrophobicContact CE2-CD2 4.47Å; F178-L259 HydrophobicContact CZ-CD2 4.36Å; L259-L261 HydrophobicContact CD2-CD1 4.47Å; L259-L261 HydrophobicContact CG-CD1 4.45Å; L259-L261 HydrophobicContact CG-CG 4.45Å; L259-L287 HydrophobicContact CD1-CB 4.18Å; L259-L287 HydrophobicContact CD1-CD2 3.97Å; L259-L287 HydrophobicContact CD1-CG 4.11Å; L259-I289 HydrophobicContact CD1-CD1 3.81Å; L259-I289 HydrophobicContact CD1-CG1 4.1Å; L259-I324 HydrophobicContact CD2-CD1 3.95Å; L259-I324 HydrophobicContact CD2-CG1 4.17Å
260L98.3Very high88.1Confident0 Ų030.9 Ų30.90%018%0.175CC..EExtended strand (participates in β ladder)trans-101.4128.2-178.7-174.7153.1000109.9I76 V258 D267 M270 A271 V286 L287 R288 I289 Y307I76-L260 CarbonylContact O-C 3.11Å; I76-L260 VanDerWaalsContact O-CA 3.27Å; I76-L260 WeakPolarHBondContact O-CA 3.35Å; V258-L260 HydrophobicContact CG1-CB 4.17Å; L260-D267 WeakPolarHBondContact CD2-O 3.3Å; L260-M270 HydrophobicContact CD1-CB 4Å; L260-M270 HydrophobicContact CD2-CE 4.13Å; L260-M270 HydrophobicContact CG-CE 4.07Å; L260-A271 HydrophobicContact CD1-CB 3.85Å; L260-V286 HydrophobicContact CB-CG1 3.83Å; L260-V286 HydrophobicContact CD1-CG1 4.19Å; L260-L287 PolarHBondContact N-O 3.38Å; L260-R288 HydrophobicContact CB-CG 4.23Å; L260-R288 HydrophobicContact CD2-CB 4.36Å; L260-R288 HydrophobicContact CD2-CG 4.18Å; L260-R288 WeakPolarHBondContact O-CA 3.18Å; L260-I289 PolarHBondContact O-N 3.34Å; L260-Y307 HydrophobicContact CD2-CE1 4.25Å
261L98.8Very high89.4Confident0 Ų027.9 Ų27.90%016%0.159CC..EExtended strand (participates in β ladder)trans-124.8125.1-178.1-65.8147.3000109.3I75 I76 T77 D78 T82 F178 L259 M270 I289 F291 F317 P320I75-L261 HydrophobicContact CG2-CD1 3.89Å; I76-L261 PolarHBondContact O-N 3.39Å; T77-L261 CarbonylContact C-O 3.58Å; T77-L261 VanDerWaalsContact CA-O 3.29Å; T77-L261 WeakPolarHBondContact CA-O 3.19Å; T77-L261 WeakPolarHBondContact OG1-CB 3.36Å; D78-L261 PolarHBondContact N-O 3.3Å; T82-L261 HydrophobicContact CG2-CB 4.01Å; F178-L261 HydrophobicContact CE1-CD1 4.31Å; F178-L261 HydrophobicContact CZ-CD1 4.08Å; L259-L261 HydrophobicContact CD2-CD1 4.47Å; L259-L261 HydrophobicContact CG-CD1 4.45Å; L259-L261 HydrophobicContact CG-CG 4.45Å; L261-M270 VanDerWaalsContact O-CE 3.23Å; L261-M270 WeakPolarHBondContact O-CE 3.31Å; L261-I289 WeakPolarHBondContact CA-O 3.18Å; L261-I289 HydrophobicContact CD2-CB 3.88Å; L261-I289 HydrophobicContact CD2-CD1 4.25Å; L261-I289 HydrophobicContact CD2-CG1 4.49Å; L261-I289 HydrophobicContact CD2-CG2 4.18Å; L261-F291 HydrophobicContact CD2-CE2 4.08Å; L261-F317 HydrophobicContact CD1-CE1 4.07Å; L261-F317 HydrophobicContact CD1-CZ 4.45Å; L261-F317 HydrophobicContact CD2-CE1 4.47Å; L261-F317 HydrophobicContact CD2-CZ 4.39Å; L261-P320 HydrophobicContact CD2-CB 3.96Å; L261-P320 HydrophobicContact CD2-CG 3.54Å
262G98.5Very high91.1Very high0 Ų025.9 Ų25.90%014%0.14CC..EExtended strand (participates in β ladder)trans-154.3170.5178.600000111.8T82 I289 G290 F291T82-G262 WeakPolarHBondContact OG1-CA 3.29Å; G262-I289 PolarHBondContact N-O 3.3Å; G262-I289 VanDerWaalsContact N-O 3.09Å; G262-G290 CarbonylContact O-C 3.47Å; G262-G290 VanDerWaalsContact O-CA 3.26Å; G262-G290 WeakPolarHBondContact O-CA 3.37Å; G262-F291 PolarHBondContact O-N 2.98Å
263D97.6Very high92.6Very high26 Ų2625.8 Ų25.814%0.13915%0.154CC..SBendtrans-121.8-13.6175.777.1-64.8000112.2R81 T82 D267 F291 Y303R81-D263 HydrophobicContact CB-CB 4.17Å; R81-D263 VanDerWaalsContact CB-OD2 3.27Å; R81-D263 WeakPolarHBondContact CB-OD2 3.44Å; T82-D263 WeakPolarHBondContact OG1-CB 3.41Å; T82-D263 PolarHBondContact OG1-N 2.86Å; T82-D263 PolarHBondContact OG1-OD1 3.32Å; D263-D267 PolarHBondContact N-OD2 3.27Å; D263-F291 WeakPolarHBondContact CA-O 3.33Å; D263-F291 HydrophobicContact CB-CB 4.09Å; D263-F291 WeakPolarHBondContact CB-O 3.34Å; D263-Y303 VanDerWaalsContact O-CE1 3.23Å; D263-Y303 WeakPolarHBondContact O-CE1 3.27Å; D263-Y303 PolarHBondContact O-OH 3.36Å
264S94.7Very high93.8Very high15 Ų1521.9 Ų21.911%0.10513%0.131CC..SBendtrans-105.8160.4-18077.80000112.2G266 D267 Y307S264-G266 PolarHBondContact O-N 3.02Å; S264-G266 PolarHBondContact OG-N 3.4Å; S264-D267 WeakPolarHBondContact CB-OD2 3.48Å; S264-D267 PolarHBondContact N-OD2 3.4Å; S264-D267 PolarHBondContact O-N 2.75Å; S264-D267 PolarHBondContact OG-N 2.9Å; S264-D267 PolarHBondContact OG-OD1 3.48Å; S264-D267 PolarHBondContact OG-OD2 3.14Å; S264-Y307 PolarHBondContact O-OH 2.7Å
265P92.7Very high94.3Very high28 Ų2818.5 Ų18.518%0.18212%0.118CC..G310 helixtrans-58.7-29.1168.9-27.137.2000114V268 K302 Y303 L306P265-V268 VanDerWaalsContact O-CG2 3.27Å; P265-V268 WeakPolarHBondContact O-CG2 3.24Å; P265-K302 HydrophobicContact CG-CD 4.44Å; P265-Y303 HydrophobicContact CG-CE2 4.08Å; P265-L306 HydrophobicContact CB-CD1 3.77Å
266G93.1Very high94.1Very high1 Ų121.6 Ų21.61%0.0114%0.136CC..G310 helixtrans-75.2-24.2-17800000113.9V239 S264 V268 H269V239-G266 WeakPolarHBondContact O-CA 3.41Å; S264-G266 PolarHBondContact O-N 3.02Å; S264-G266 PolarHBondContact OG-N 3.4Å; G266-V268 PolarHBondContact O-N 3.01Å; G266-H269 PolarHBondContact O-CD2 3.29Å; G266-H269 PolarHBondContact O-N 3.01Å
267D96.7Very high93.9Very high1 Ų122 Ų221%0.00514%0.136CC..G310 helixtrans-68.7-19.8-176.2-64.3-43000113.3K242 L260 D263 S264 H269 M270K242-D267 VanDerWaalsContact CD-OD1 3.32Å; K242-D267 WeakPolarHBondContact CD-OD1 3.42Å; K242-D267 IonicContact NZ-OD1 3.61Å; K242-D267 PolarHBondContact NZ-OD1 3.03Å; L260-D267 WeakPolarHBondContact CD2-O 3.3Å; D263-D267 PolarHBondContact N-OD2 3.27Å; S264-D267 WeakPolarHBondContact CB-OD2 3.48Å; S264-D267 PolarHBondContact N-OD2 3.4Å; S264-D267 PolarHBondContact O-N 2.75Å; S264-D267 PolarHBondContact OG-N 2.9Å; S264-D267 PolarHBondContact OG-OD1 3.48Å; S264-D267 PolarHBondContact OG-OD2 3.14Å; D267-H269 PolarHBondContact O-N 3.29Å; D267-M270 HydrophobicContact CB-CE 3.71Å; D267-M270 HydrophobicContact CB-SD 4.3Å; D267-M270 WeakPolarHBondContact O-CB 3.21Å; D267-M270 WeakPolarHBondContact O-CE 3.48Å; D267-M270 VanDerWaalsContact O-CG 3.28Å; D267-M270 WeakPolarHBondContact O-CG 3.48Å; D267-M270 PolarHBondContact O-N 2.78Å
268V96.1Very high93.5Very high8 Ų823.2 Ų23.25%0.04814%0.143CC..G310 helixtrans-61.1-17.1177.7-57.60000113.8P265 G266 R288 L306 Y307P265-V268 VanDerWaalsContact O-CG2 3.27Å; P265-V268 WeakPolarHBondContact O-CG2 3.24Å; G266-V268 PolarHBondContact O-N 3.01Å; V268-R288 PolarHBondContact O-NE 3.36Å; V268-R288 VanDerWaalsContact O-NE 3.14Å; V268-L306 HydrophobicContact CG1-CB 3.98Å; V268-Y307 HydrophobicContact CG1-CD1 4.1Å; V268-Y307 HydrophobicContact CG1-CD2 4.08Å; V268-Y307 HydrophobicContact CG1-CE1 3.68Å; V268-Y307 HydrophobicContact CG1-CE2 3.65Å; V268-Y307 HydrophobicContact CG1-CG 4.29Å; V268-Y307 VanDerWaalsContact CG1-CZ 3.43Å
269H94.8Very high92.7Very high51 Ų5128.9 Ų28.924%0.23618%0.18CC..G310 helixtrans-90.4-5179.8-61.2-63.3000113.9E132 K242 T243 G266 D267 A271 D272E132-H269 IonicContact OE1-NE2 2.81Å; E132-H269 IonicContact OE2-NE2 3.56Å; K242-H269 CarbonylContact O-C 3.59Å; T243-H269 HydrophobicContact CG2-CB 4.19Å; G266-H269 PolarHBondContact O-CD2 3.29Å; G266-H269 PolarHBondContact O-N 3.01Å; D267-H269 PolarHBondContact O-N 3.29Å; H269-A271 PolarHBondContact O-N 3.23Å; H269-D272 IonicContact CE1-OD2 2.66Å; H269-D272 IonicContact CG-OD2 3.57Å; H269-D272 IonicContact ND1-OD2 3.35Å; H269-D272 PolarHBondContact ND1-OD2 3.07Å; H269-D272 VanDerWaalsContact O-CB 3.23Å; H269-D272 WeakPolarHBondContact O-CB 3.45Å; H269-D272 PolarHBondContact O-N 3.48Å
270M95.1Very high92Very high1 Ų133 Ų331%0.00521%0.205CC..THydrogen-bonded Turntrans-59.7-26.4-176.5-72.3-172.7-60.300113.8I76 D78 F192 K242 L260 L261 D267I76-M270 HydrophobicContact CG2-CB 3.62Å; I76-M270 HydrophobicContact CG2-CE 4.34Å; I76-M270 HydrophobicContact CG2-CG 4.46Å; I76-M270 HydrophobicContact CG2-SD 4.24Å; D78-M270 HydrophobicContact CB-CE 4.29Å; D78-M270 HydrophobicContact CB-SD 4.34Å; F192-M270 HydrophobicContact CB-CG 4.47Å; F192-M270 HydrophobicContact CB-SD 3.83Å; F192-M270 HydrophobicContact CD1-CB 4.06Å; F192-M270 HydrophobicContact CD1-CG 3.89Å; F192-M270 HydrophobicContact CD1-SD 4.35Å; F192-M270 HydrophobicContact CG-CG 4.42Å; F192-M270 HydrophobicContact CG-SD 4.34Å; K242-M270 HydrophobicContact CB-CG 3.87Å; K242-M270 HydrophobicContact CD-CG 4.12Å; K242-M270 HydrophobicContact CD-SD 4.17Å; K242-M270 VanDerWaalsContact O-CA 3.25Å; K242-M270 WeakPolarHBondContact O-CA 3.34Å; K242-M270 PolarHBondContact O-N 3.13Å; L260-M270 HydrophobicContact CD1-CB 4Å; L260-M270 HydrophobicContact CD2-CE 4.13Å; L260-M270 HydrophobicContact CG-CE 4.07Å; L261-M270 VanDerWaalsContact O-CE 3.23Å; L261-M270 WeakPolarHBondContact O-CE 3.31Å; D267-M270 HydrophobicContact CB-CE 3.71Å; D267-M270 HydrophobicContact CB-SD 4.3Å; D267-M270 WeakPolarHBondContact O-CB 3.21Å; D267-M270 WeakPolarHBondContact O-CE 3.48Å; D267-M270 VanDerWaalsContact O-CG 3.28Å; D267-M270 WeakPolarHBondContact O-CG 3.48Å; D267-M270 PolarHBondContact O-N 2.78Å
271A93.7Very high91.2Very high1 Ų133.7 Ų33.71%0.00821%0.212CC..THydrogen-bonded Turntrans-89.9-5.5175.800000113.9I76 V258 L260 H269 G273 A274 T275 V286I76-A271 HydrophobicContact CD1-CB 4.2Å; V258-A271 HydrophobicContact CG1-CB 4.29Å; V258-A271 HydrophobicContact CG2-CB 4.48Å; L260-A271 HydrophobicContact CD1-CB 3.85Å; H269-A271 PolarHBondContact O-N 3.23Å; A271-G273 PolarHBondContact O-N 3.09Å; A271-A274 WeakPolarHBondContact O-CB 3.34Å; A271-A274 PolarHBondContact O-N 3.15Å; A271-T275 HydrophobicContact CB-CG2 4.4Å; A271-T275 PolarHBondContact O-N 2.72Å; A271-V286 HydrophobicContact CB-CG1 4.05Å; A271-V286 HydrophobicContact CB-CG2 3.95Å
272D92.5Very high90.5Very high64 Ų6441.7 Ų41.734%0.34225%0.249SC..BIsolated β-bridgetrans-66.7124.6-176.8-69.2-5.8000110.1T243 A244 H269 A274T243-D272 HydrophobicContact CG2-CB 4.26Å; A244-D272 WeakPolarHBondContact CB-O 3.41Å; A244-D272 PolarHBondContact N-O 2.81Å; H269-D272 IonicContact CE1-OD2 2.66Å; H269-D272 IonicContact CG-OD2 3.57Å; H269-D272 IonicContact ND1-OD2 3.35Å; H269-D272 PolarHBondContact ND1-OD2 3.07Å; H269-D272 VanDerWaalsContact O-CB 3.23Å; H269-D272 WeakPolarHBondContact O-CB 3.45Å; H269-D272 PolarHBondContact O-N 3.48Å; D272-A274 PolarHBondContact O-N 3.2Å
273G88.6Confident90.1Very high61 Ų6146.8 Ų46.863%0.62928%0.276SS*.THydrogen-bonded Turntrans77-4.2-173.300000114.9K254 A271K254-G273 PolarHBondContact NZ-O 2.9Å; A271-G273 PolarHBondContact O-N 3.09Å
274A85.8Confident89.8Confident20 Ų2045.5 Ų45.517%0.16527%0.269CS..THydrogen-bonded Turntrans-86.2-44.7168.200000110.8I76 A244 A271 D272I76-A274 HydrophobicContact CD1-CB 4.45Å; A244-A274 HydrophobicContact CB-CB 4.05Å; A271-A274 WeakPolarHBondContact O-CB 3.34Å; A271-A274 PolarHBondContact O-N 3.15Å; D272-A274 PolarHBondContact O-N 3.2Å
275T89.2Confident89.9Confident24 Ų2444.9 Ų44.915%0.14727%0.265CS..BIsolated β-bridgetrans-140.1169.3178.2-171.10000111.5P256 V258 A271 V286P256-T275 PolarHBondContact O-OG1 3.22Å; V258-T275 HydrophobicContact CG2-CG2 3.69Å; A271-T275 HydrophobicContact CB-CG2 4.4Å; A271-T275 PolarHBondContact O-N 2.72Å; T275-V286 HydrophobicContact CG2-CG2 3.4Å; T275-V286 VanDerWaalsContact CG2-CG2 3.4Å
276I86.3Confident90.1Very high104 Ų10443.7 Ų43.753%0.53326%0.257SS..  trans-101.8114.1171.1-60.1174.8000107.1D278 L283 G284I276-D278 HydrophobicContact CG2-CB 4.28Å; I276-D278 PolarHBondContact O-N 3.08Å; I276-L283 HydrophobicContact CB-CB 4.01Å; I276-L283 HydrophobicContact CD1-CB 4.44Å; I276-L283 HydrophobicContact CD1-CD1 4.06Å; I276-L283 HydrophobicContact CG2-CB 4.11Å; I276-L283 HydrophobicContact CG2-CD1 3.97Å; I276-G284 CarbonylContact O-C 3.56Å; I276-G284 WeakPolarHBondContact O-CA 3.47Å; I276-G284 PolarHBondContact O-N 3.37Å
277D90.1Very high90.3Very high55 Ų5543.6 Ų43.629%0.29426%0.256SS..  trans-76.178.3172.9-165.919.5000109.6K61 V286 R288K61-D277 IonicContact NZ-OD2 2.74Å; D277-V286 HydrophobicContact CB-CB 4.22Å; D277-V286 HydrophobicContact CB-CG2 3.88Å; D277-V286 PolarHBondContact OD1-N 3.41Å; D277-R288 IonicContact OD2-CZ 3.56Å; D277-R288 IonicContact OD2-NH1 2.91Å; D277-R288 PolarHBondContact OD2-NH1 3.01Å; D277-R288 IonicContact OD2-NH2 2.9Å
278D86.8Confident90.4Very high27 Ų2745 Ų4514%0.14426%0.261CS..  trans-84.2125.2-178.5166.243.2000110.3I276 T280 G281 Q282 L283 G284I276-D278 HydrophobicContact CG2-CB 4.28Å; I276-D278 PolarHBondContact O-N 3.08Å; D278-T280 PolarHBondContact O-N 3.29Å; D278-T280 PolarHBondContact OD1-N 3.34Å; D278-T280 PolarHBondContact OD2-N 3.47Å; D278-T280 PolarHBondContact OD2-OG1 2.83Å; D278-G281 PolarHBondContact O-N 3.2Å; D278-G281 PolarHBondContact OD2-N 3.15Å; D278-Q282 PolarHBondContact OD2-N 2.97Å; D278-L283 HydrophobicContact CB-CB 3.9Å; D278-L283 HydrophobicContact CB-CD1 4.46Å; D278-L283 HydrophobicContact CB-CG 4.37Å; D278-L283 PolarHBondContact OD2-N 3.26Å; D278-G284 PolarHBondContact N-O 2.92Å; D278-G284 VanDerWaalsContact N-O 3.13Å
279P80Confident90.5Very high120 Ų12044.7 Ų44.778%0.77926%0.259SS*.THydrogen-bonded Turntrans-56.7-20.5177.8-26.434.4000114.9
280T83Confident90.7Very high86 Ų8642.2 Ų42.253%0.52825%0.248SC..THydrogen-bonded Turntrans-89.2-10.8176.183.50000113.8D278 Q282D278-T280 PolarHBondContact O-N 3.29Å; D278-T280 PolarHBondContact OD1-N 3.34Å; D278-T280 PolarHBondContact OD2-N 3.47Å; D278-T280 PolarHBondContact OD2-OG1 2.83Å; T280-Q282 PolarHBondContact O-N 3.16Å; T280-Q282 WeakPolarHBondContact OG1-CB 3.24Å; T280-Q282 VanDerWaalsContact OG1-CG 3.26Å; T280-Q282 WeakPolarHBondContact OG1-CG 3.5Å; T280-Q282 PolarHBondContact OG1-N 3.22Å
281G81.8Confident90.8Very high14 Ų1442.2 Ų42.214%0.14425%0.248CC..SBendtrans70.95.7-175.300000114.9D278D278-G281 PolarHBondContact O-N 3.2Å; D278-G281 PolarHBondContact OD2-N 3.15Å
282Q84Confident91Very high168 Ų16842.2 Ų42.279%0.78525%0.248SC*.SBendtrans-74.4-39.1-176.2-74.2-179.715.200112.1D278 T280D278-Q282 PolarHBondContact OD2-N 2.97Å; T280-Q282 PolarHBondContact O-N 3.16Å; T280-Q282 WeakPolarHBondContact OG1-CB 3.24Å; T280-Q282 VanDerWaalsContact OG1-CG 3.26Å; T280-Q282 WeakPolarHBondContact OG1-CG 3.5Å; T280-Q282 PolarHBondContact OG1-N 3.22Å
283L88.7Confident91Very high107 Ų10739.7 Ų39.756%0.5623%0.234SC*.SBendtrans-89.9-31178.4-59.2176.6000112.3P256 I276 D278P256-L283 WeakPolarHBondContact CB-O 3.39Å; I276-L283 HydrophobicContact CB-CB 4.01Å; I276-L283 HydrophobicContact CD1-CB 4.44Å; I276-L283 HydrophobicContact CD1-CD1 4.06Å; I276-L283 HydrophobicContact CG2-CB 4.11Å; I276-L283 HydrophobicContact CG2-CD1 3.97Å; D278-L283 HydrophobicContact CB-CB 3.9Å; D278-L283 HydrophobicContact CB-CD1 4.46Å; D278-L283 HydrophobicContact CB-CG 4.37Å; D278-L283 PolarHBondContact OD2-N 3.26Å
284G93.1Very high91.1Very high0 Ų040.2 Ų40.20%022%0.22CC..  trans163.3173.5-176.900000111.4P256 I276 D278P256-G284 CarbonylContact O-C 3.49Å; P256-G284 WeakPolarHBondContact O-CA 3.48Å; I276-G284 CarbonylContact O-C 3.56Å; I276-G284 WeakPolarHBondContact O-CA 3.47Å; I276-G284 PolarHBondContact O-N 3.37Å; D278-G284 PolarHBondContact N-O 2.92Å; D278-G284 VanDerWaalsContact N-O 3.13Å
285T95.9Very high91.3Very high2 Ų242.2 Ų42.21%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-152.4138.3178.8-92.90000109.5K61 I64 L65 P256 N257 V258K61-T285 HydrophobicContact CB-CG2 3.96Å; K61-T285 HydrophobicContact CD-CG2 4.43Å; K61-T285 HydrophobicContact CG-CG2 3.91Å; I64-T285 HydrophobicContact CG2-CG2 4.32Å; L65-T285 HydrophobicContact CD2-CG2 4.01Å; L65-T285 HydrophobicContact CG-CG2 4.46Å; P256-T285 PolarHBondContact O-N 3.39Å; P256-T285 VanDerWaalsContact O-N 3.13Å; N257-T285 CarbonylContact C-O 3.53Å; N257-T285 VanDerWaalsContact CA-O 3.29Å; N257-T285 WeakPolarHBondContact CA-O 3.37Å; N257-T285 PolarHBondContact OD1-N 3.35Å; V258-T285 PolarHBondContact N-O 3.02Å
286V96.6Very high91.4Very high2 Ų242.9 Ų42.91%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-118.7112.8174.4-173.50000108.8K61 V258 L260 A271 T275 D277 R288K61-V286 WeakPolarHBondContact CD-O 3.35Å; K61-V286 WeakPolarHBondContact CE-O 3.26Å; K61-V286 PolarHBondContact NZ-O 3.27Å; V258-V286 HydrophobicContact CB-CG1 4.24Å; V258-V286 HydrophobicContact CB-CG2 4.24Å; V258-V286 HydrophobicContact CG1-CG1 4.36Å; V258-V286 WeakPolarHBondContact O-CA 3.45Å; L260-V286 HydrophobicContact CB-CG1 3.83Å; L260-V286 HydrophobicContact CD1-CG1 4.19Å; A271-V286 HydrophobicContact CB-CG1 4.05Å; A271-V286 HydrophobicContact CB-CG2 3.95Å; T275-V286 HydrophobicContact CG2-CG2 3.4Å; T275-V286 VanDerWaalsContact CG2-CG2 3.4Å; D277-V286 HydrophobicContact CB-CB 4.22Å; D277-V286 HydrophobicContact CB-CG2 3.88Å; D277-V286 PolarHBondContact OD1-N 3.41Å; V286-R288 HydrophobicContact CG1-CG 3.83Å
287L97.4Very high91.7Very high0 Ų046.5 Ų46.50%025%0.252CS..EExtended strand (participates in β ladder)trans-91115.8168.8-178.764.6000108.9V58 K61 L62 L65 V258 L259 L260 D308 I323V58-L287 HydrophobicContact CG1-CD1 4.29Å; K61-L287 HydrophobicContact CB-CD1 4.15Å; K61-L287 HydrophobicContact CD-CD1 4.1Å; L62-L287 HydrophobicContact CD2-CD2 3.58Å; L62-L287 HydrophobicContact CG-CD2 4.2Å; L65-L287 HydrophobicContact CD1-CB 4.03Å; L65-L287 HydrophobicContact CD1-CD2 4.03Å; V258-L287 PolarHBondContact O-N 2.84Å; L259-L287 HydrophobicContact CD1-CB 4.18Å; L259-L287 HydrophobicContact CD1-CD2 3.97Å; L259-L287 HydrophobicContact CD1-CG 4.11Å; L260-L287 PolarHBondContact N-O 3.38Å; L287-D308 HydrophobicContact CD1-CB 3.75Å; L287-I323 HydrophobicContact CD2-CD1 4.3Å; L287-I323 HydrophobicContact CD2-CG2 4.47Å
288R98.3Very high91.7Very high31 Ų3150.3 Ų50.312%0.11727%0.268CS..EExtended strand (participates in β ladder)trans-101.1123.7-176.2-59.1-177178.272.1-1.9111.2L260 V268 D277 V286 Y307 D308 I309L260-R288 HydrophobicContact CB-CG 4.23Å; L260-R288 HydrophobicContact CD2-CB 4.36Å; L260-R288 HydrophobicContact CD2-CG 4.18Å; L260-R288 WeakPolarHBondContact O-CA 3.18Å; V268-R288 PolarHBondContact O-NE 3.36Å; V268-R288 VanDerWaalsContact O-NE 3.14Å; D277-R288 IonicContact OD2-CZ 3.56Å; D277-R288 IonicContact OD2-NH1 2.91Å; D277-R288 PolarHBondContact OD2-NH1 3.01Å; D277-R288 IonicContact OD2-NH2 2.9Å; V286-R288 HydrophobicContact CG1-CG 3.83Å; R288-Y307 HydrophobicContact CB-CD1 3.73Å; R288-Y307 HydrophobicContact CB-CE1 4.37Å; R288-D308 PolarHBondContact N-OD2 2.94Å; R288-D308 WeakPolarHBondContact O-CB 3.26Å; R288-D308 PolarHBondContact O-N 3.32Å; R288-I309 PolarHBondContact O-N 3.18Å; R288-I309 VanDerWaalsContact O-N 3.12Å
289I98.7Very high92Very high0 Ų050.4 Ų50.40%027%0.268CS..EExtended strand (participates in β ladder)trans-114.6122.2173.8-55.5-174.4000109.1L259 L260 L261 G262 Y307 I309 L311 I319 P320 I323L259-I289 HydrophobicContact CD1-CD1 3.81Å; L259-I289 HydrophobicContact CD1-CG1 4.1Å; L260-I289 PolarHBondContact O-N 3.34Å; L261-I289 WeakPolarHBondContact CA-O 3.18Å; L261-I289 HydrophobicContact CD2-CB 3.88Å; L261-I289 HydrophobicContact CD2-CD1 4.25Å; L261-I289 HydrophobicContact CD2-CG1 4.49Å; L261-I289 HydrophobicContact CD2-CG2 4.18Å; G262-I289 PolarHBondContact N-O 3.3Å; G262-I289 VanDerWaalsContact N-O 3.09Å; I289-Y307 WeakPolarHBondContact O-CE1 3.36Å; I289-I309 CarbonylContact C-O 3.55Å; I289-I309 WeakPolarHBondContact CA-O 3.29Å; I289-I309 HydrophobicContact CD1-CD1 4.37Å; I289-I309 HydrophobicContact CG1-CB 4.25Å; I289-I309 HydrophobicContact CG1-CD1 4.33Å; I289-L311 HydrophobicContact CG2-CD1 3.66Å; I289-L311 HydrophobicContact CG2-CG 3.87Å; I289-I319 HydrophobicContact CD1-CG2 4.44Å; I289-P320 HydrophobicContact CD1-CG 4.25Å; I289-I323 HydrophobicContact CD1-CD1 3.62Å
290G98.5Very high92.7Very high0 Ų046.1 Ų46.10%024%0.238CC..EExtended strand (participates in β ladder)trans-110.6125.5-17700000112.1G262 Y307 I309 V310 L311G262-G290 CarbonylContact O-C 3.47Å; G262-G290 VanDerWaalsContact O-CA 3.26Å; G262-G290 WeakPolarHBondContact O-CA 3.37Å; G290-Y307 VanDerWaalsContact CA-CE1 3.44Å; G290-I309 PolarHBondContact N-O 3.17Å; G290-V310 CarbonylContact O-C 3.49Å; G290-V310 WeakPolarHBondContact O-CA 3.34Å; G290-L311 PolarHBondContact O-N 3.47Å
291F98.1Very high93.3Very high0 Ų049.4 Ų49.40%025%0.248CC..EExtended strand (participates in β ladder)trans-88.7109.1171.9-68.3-89.7000110.2T82 L261 G262 D263 N293 L311 F317 P320T82-F291 HydrophobicContact CG2-CD2 4.12Å; T82-F291 HydrophobicContact CG2-CE2 4.21Å; L261-F291 HydrophobicContact CD2-CE2 4.08Å; G262-F291 PolarHBondContact O-N 2.98Å; D263-F291 WeakPolarHBondContact CA-O 3.33Å; D263-F291 HydrophobicContact CB-CB 4.09Å; D263-F291 WeakPolarHBondContact CB-O 3.34Å; F291-N293 PolarHBondContact O-N 3.31Å; F291-N293 PolarHBondContact O-ND2 2.86Å; F291-L311 CarbonylContact C-O 3.6Å; F291-L311 WeakPolarHBondContact CA-O 3.42Å; F291-L311 HydrophobicContact CD1-CB 4.03Å; F291-L311 HydrophobicContact CD1-CD1 4.16Å; F291-L311 HydrophobicContact CE1-CB 4.28Å; F291-L311 HydrophobicContact CE1-CD1 3.58Å; F291-L311 HydrophobicContact CZ-CD1 3.81Å; F291-F317 HydrophobicContact CE1-CD2 4.37Å; F291-F317 HydrophobicContact CE1-CE2 4.16Å; F291-F317 AromaticContact CE2-CE2 3.65Å; F291-F317 HydrophobicContact CE2-CE2 3.65Å; F291-F317 HydrophobicContact CE2-CZ 4.06Å; F291-F317 AromaticContact CZ-CD2 3.74Å; F291-F317 HydrophobicContact CZ-CD2 3.74Å; F291-F317 AromaticContact CZ-CE2 3.3Å; F291-F317 HydrophobicContact CZ-CE2 3.3Å; F291-F317 HydrophobicContact CZ-CZ 4.07Å; F291-P320 HydrophobicContact CZ-CG 4.41Å
292L96.7Very high93.9Very high1 Ų152.1 Ų52.11%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-95.299.5176.6178.454.3000109.6E294 V296 N299 L300 Y303 V310 L311 V312 N313L292-E294 WeakPolarHBondContact CD1-O 3.41Å; L292-V296 HydrophobicContact CD2-CB 4.45Å; L292-V296 HydrophobicContact CD2-CG1 4.05Å; L292-V296 HydrophobicContact CG-CG1 4.49Å; L292-V296 HydrophobicContact CG-CG2 4.29Å; L292-N299 HydrophobicContact CD1-CB 3.78Å; L292-N299 HydrophobicContact CD2-CB 4.47Å; L292-L300 HydrophobicContact CD2-CB 4.05Å; L292-L300 HydrophobicContact CD2-CD1 4.03Å; L292-Y303 HydrophobicContact CB-CD1 3.88Å; L292-Y303 HydrophobicContact CB-CE1 4.06Å; L292-Y303 HydrophobicContact CB-CG 4.44Å; L292-Y303 HydrophobicContact CD1-CD1 4.16Å; L292-Y303 HydrophobicContact CD1-CD2 4.2Å; L292-Y303 HydrophobicContact CD1-CE1 3.91Å; L292-Y303 HydrophobicContact CD1-CE2 3.96Å; L292-Y303 HydrophobicContact CD1-CG 4.28Å; L292-Y303 HydrophobicContact CD2-CG 4.34Å; L292-Y303 HydrophobicContact CG-CD1 4.42Å; L292-V310 HydrophobicContact CB-CG1 3.85Å; L292-V310 HydrophobicContact CD2-CG1 4.38Å; L292-L311 PolarHBondContact N-O 3.11Å; L292-V312 HydrophobicContact CB-CG2 4.22Å; L292-V312 HydrophobicContact CD2-CG2 4.16Å; L292-V312 HydrophobicContact CG-CG2 4.47Å; L292-V312 WeakPolarHBondContact O-CA 3.4Å; L292-N313 PolarHBondContact O-N 3.34Å
293N93.9Very high94.5Very high12 Ų1244.9 Ų44.96%0.06422%0.221CC..  trans-101.3-21.1-170.7-56.7-59.3000114.5R81 Y86 R172 F291R81-N293 PolarHBondContact O-ND2 2.96Å; R81-N293 VanDerWaalsContact O-ND2 3.13Å; Y86-N293 HydrophobicContact CD1-CB 4.06Å; Y86-N293 HydrophobicContact CD2-CB 3.75Å; Y86-N293 WeakPolarHBondContact CE1-O 3.45Å; Y86-N293 HydrophobicContact CE2-CB 4.4Å; Y86-N293 HydrophobicContact CG-CB 3.56Å; R172-N293 PolarHBondContact NH2-ND2 3.12Å; R172-N293 PolarHBondContact NH2-OD1 3.44Å; F291-N293 PolarHBondContact O-N 3.31Å; F291-N293 PolarHBondContact O-ND2 2.86Å
294E90.5Very high94.9Very high72 Ų7242.1 Ų42.134%0.33621%0.206SC..SBendtrans-142.2157.8-175.969.1174.9120.700112.2Y86 L292 V296Y86-E294 HydrophobicContact CE2-CB 4.31Å; L292-E294 WeakPolarHBondContact CD1-O 3.41Å; E294-V296 PolarHBondContact O-N 2.85Å; E294-V296 VanDerWaalsContact O-N 3.15Å
295S90.2Very high95Very high62 Ų6245.6 Ų45.643%0.43423%0.23SC..  trans46.248.1178-52.90000112.1Q297 E298 N299S295-Q297 VanDerWaalsContact C-N 3.32Å; S295-Q297 PolarHBondContact O-N 3.49Å; S295-E298 VanDerWaalsContact CA-OE2 3.29Å; S295-E298 WeakPolarHBondContact CA-OE2 3.24Å; S295-E298 PolarHBondContact O-N 3.41Å; S295-E298 VanDerWaalsContact O-OE2 3.11Å; S295-N299 WeakPolarHBondContact O-CB 3.43Å; S295-N299 PolarHBondContact O-N 3.34Å; S295-N299 PolarHBondContact O-ND2 3.14Å
296V91.7Very high95Very high38 Ų3848.3 Ų48.323%0.2324%0.244CC..Hα-helixtrans-58.7-44.8-167.7176.50000110.9L292 E294 E298 N299 L300 V312L292-V296 HydrophobicContact CD2-CB 4.45Å; L292-V296 HydrophobicContact CD2-CG1 4.05Å; L292-V296 HydrophobicContact CG-CG1 4.49Å; L292-V296 HydrophobicContact CG-CG2 4.29Å; E294-V296 PolarHBondContact O-N 2.85Å; E294-V296 VanDerWaalsContact O-N 3.15Å; V296-E298 VanDerWaalsContact C-N 3.31Å; V296-E298 PolarHBondContact O-N 3.45Å; V296-N299 PolarHBondContact O-N 3.14Å; V296-L300 WeakPolarHBondContact O-CB 3.45Å; V296-L300 PolarHBondContact O-N 3.04Å; V296-V312 HydrophobicContact CB-CG1 4.44Å; V296-V312 HydrophobicContact CG1-CG1 3.6Å; V296-V312 HydrophobicContact CG1-CG2 4.19Å; V296-V312 HydrophobicContact CG2-CG1 3.91Å
297Q90.7Very high95.1Very high179 Ų17948.6 Ų48.684%0.83625%0.245SC*.Hα-helixtrans-65.1-38.2-175.4-175.2175.3-1000111.5S295S295-Q297 VanDerWaalsContact C-N 3.32Å; S295-Q297 PolarHBondContact O-N 3.49Å
298E91.3Very high95.1Very high135 Ų13549.7 Ų49.763%0.63125%0.251SS*.Hα-helixtrans-75.6-34-178.8-60.479.1-174.300112.2S295 V296S295-E298 VanDerWaalsContact CA-OE2 3.29Å; S295-E298 WeakPolarHBondContact CA-OE2 3.24Å; S295-E298 PolarHBondContact O-N 3.41Å; S295-E298 VanDerWaalsContact O-OE2 3.11Å; V296-E298 VanDerWaalsContact C-N 3.31Å; V296-E298 PolarHBondContact O-N 3.45Å
299N92.7Very high95.1Very high30 Ų3048.2 Ų48.216%0.1625%0.246CC..Hα-helixtrans-102.1-17.4-170.3-73.9-38.4000114.6L292 S295 V296 E301 K302 Y303L292-N299 HydrophobicContact CD1-CB 3.78Å; L292-N299 HydrophobicContact CD2-CB 4.47Å; S295-N299 WeakPolarHBondContact O-CB 3.43Å; S295-N299 PolarHBondContact O-N 3.34Å; S295-N299 PolarHBondContact O-ND2 3.14Å; V296-N299 PolarHBondContact O-N 3.14Å; N299-E301 VanDerWaalsContact C-N 3.35Å; N299-E301 PolarHBondContact O-N 3.36Å; N299-K302 WeakPolarHBondContact O-CB 3.36Å; N299-K302 PolarHBondContact O-N 3.05Å; N299-K302 VanDerWaalsContact O-N 3.09Å; N299-Y303 HydrophobicContact CB-CD2 3.91Å; N299-Y303 HydrophobicContact CB-CE2 3.81Å; N299-Y303 VanDerWaalsContact O-CD2 3.26Å; N299-Y303 WeakPolarHBondContact O-CD2 3.39Å; N299-Y303 PolarHBondContact O-N 2.91Å
300L94.4Very high95Very high29 Ų2948.3 Ų48.315%0.15225%0.246CC..Hα-helixtrans-55.5-45.7-171.4179.662.1000113.2Y51 L292 V296 K302 Y303 Q304 V310 V312Y51-L300 HydrophobicContact CD1-CD1 4.4Å; Y51-L300 HydrophobicContact CD1-CD2 4.34Å; Y51-L300 HydrophobicContact CD2-CD1 3.79Å; Y51-L300 HydrophobicContact CE1-CD2 3.92Å; Y51-L300 HydrophobicContact CE2-CD1 4.05Å; Y51-L300 HydrophobicContact CE2-CD2 4.19Å; Y51-L300 HydrophobicContact CG-CD1 3.97Å; L292-L300 HydrophobicContact CD2-CB 4.05Å; L292-L300 HydrophobicContact CD2-CD1 4.03Å; V296-L300 WeakPolarHBondContact O-CB 3.45Å; V296-L300 PolarHBondContact O-N 3.04Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 3.03Å; L300-Y303 PolarHBondContact O-N 2.7Å; L300-Q304 HydrophobicContact CD1-CG 4.05Å; L300-Q304 HydrophobicContact CG-CG 4.39Å; L300-Q304 WeakPolarHBondContact O-CB 2.88Å; L300-Q304 WeakPolarHBondContact O-CG 3.41Å; L300-Q304 PolarHBondContact O-N 3.22Å; L300-V310 HydrophobicContact CD1-CG1 4.29Å; L300-V312 HydrophobicContact CD1-CG2 4.09Å
301E95.2Very high94.9Very high156 Ų15648.3 Ų48.373%0.72925%0.246SC*.Hα-helixtrans-62.4-41.5-179.7-175.9175.8-174.700112.1N299 Q304 S305N299-E301 VanDerWaalsContact C-N 3.35Å; N299-E301 PolarHBondContact O-N 3.36Å; E301-Q304 PolarHBondContact O-N 3Å; E301-S305 PolarHBondContact O-N 3.02Å; E301-S305 VanDerWaalsContact O-N 3.15Å
302K94.4Very high94.8Very high71 Ų7148.5 Ų48.531%0.30925%0.247SC..Hα-helixtrans-63.8-43.5175.4-176.7179.8-177.5179.20110.8N128 P265 N299 L300 S305 L306N128-K302 PolarHBondContact OD1-NZ 3.26Å; P265-K302 HydrophobicContact CG-CD 4.44Å; N299-K302 WeakPolarHBondContact O-CB 3.36Å; N299-K302 PolarHBondContact O-N 3.05Å; N299-K302 VanDerWaalsContact O-N 3.09Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 3.03Å; K302-S305 PolarHBondContact O-N 3.03Å; K302-S305 PolarHBondContact O-OG 2.78Å; K302-L306 HydrophobicContact CG-CD1 3.96Å; K302-L306 VanDerWaalsContact O-CG 3.32Å; K302-L306 WeakPolarHBondContact O-CG 3.49Å; K302-L306 PolarHBondContact O-N 2.99Å
303Y97Very high94.6Very high15 Ų1550.7 Ų50.76%0.05926%0.259CS..Hα-helixtrans-66.9-40.9179-84-122.7000111.3D263 P265 L292 N299 L300 S305 L306 Y307 V310D263-Y303 VanDerWaalsContact O-CE1 3.23Å; D263-Y303 WeakPolarHBondContact O-CE1 3.27Å; D263-Y303 PolarHBondContact O-OH 3.36Å; P265-Y303 HydrophobicContact CG-CE2 4.08Å; L292-Y303 HydrophobicContact CB-CD1 3.88Å; L292-Y303 HydrophobicContact CB-CE1 4.06Å; L292-Y303 HydrophobicContact CB-CG 4.44Å; L292-Y303 HydrophobicContact CD1-CD1 4.16Å; L292-Y303 HydrophobicContact CD1-CD2 4.2Å; L292-Y303 HydrophobicContact CD1-CE1 3.91Å; L292-Y303 HydrophobicContact CD1-CE2 3.96Å; L292-Y303 HydrophobicContact CD1-CG 4.28Å; L292-Y303 HydrophobicContact CD2-CG 4.34Å; L292-Y303 HydrophobicContact CG-CD1 4.42Å; N299-Y303 HydrophobicContact CB-CD2 3.91Å; N299-Y303 HydrophobicContact CB-CE2 3.81Å; N299-Y303 VanDerWaalsContact O-CD2 3.26Å; N299-Y303 WeakPolarHBondContact O-CD2 3.39Å; N299-Y303 PolarHBondContact O-N 2.91Å; L300-Y303 PolarHBondContact O-N 2.7Å; Y303-S305 PolarHBondContact O-N 3.2Å; Y303-L306 PolarHBondContact O-N 3.07Å; Y303-L306 VanDerWaalsContact O-N 3.16Å; Y303-Y307 HydrophobicContact CD1-CD2 4.03Å; Y303-Y307 HydrophobicContact CD1-CE2 4.07Å; Y303-Y307 HydrophobicContact CE1-CE2 4.33Å; Y303-Y307 HydrophobicContact CG-CD2 4.43Å; Y303-Y307 WeakPolarHBondContact O-CB 3.42Å; Y303-Y307 PolarHBondContact O-N 2.78Å; Y303-V310 HydrophobicContact CD1-CG1 4.42Å
304Q96.7Very high94.6Very high49 Ų4950.2 Ų50.223%0.22926%0.256CS..Hα-helixtrans-65.5-20.1175.9-73.2-171.7-89.700113.5K53 L300 E301 V310K53-Q304 HydrophobicContact CB-CB 4.28Å; K53-Q304 WeakPolarHBondContact CB-O 3.19Å; K53-Q304 HydrophobicContact CD-CB 4.28Å; K53-Q304 WeakPolarHBondContact CD-O 3.29Å; L300-Q304 HydrophobicContact CD1-CG 4.05Å; L300-Q304 HydrophobicContact CG-CG 4.39Å; L300-Q304 WeakPolarHBondContact O-CB 2.88Å; L300-Q304 WeakPolarHBondContact O-CG 3.41Å; L300-Q304 PolarHBondContact O-N 3.22Å; E301-Q304 PolarHBondContact O-N 3Å; Q304-V310 HydrophobicContact CG-CG2 4.18Å
305S96.7Very high94.7Very high74 Ų7449.1 Ų49.152%0.51726%0.257SS..Hα-helixtrans-86.5-25173.874.10000113.4E301 K302 Y303E301-S305 PolarHBondContact O-N 3.02Å; E301-S305 VanDerWaalsContact O-N 3.15Å; K302-S305 PolarHBondContact O-N 3.03Å; K302-S305 PolarHBondContact O-OG 2.78Å; Y303-S305 PolarHBondContact O-N 3.2Å
306L96.3Very high95Very high59 Ų5947.1 Ų47.131%0.30924%0.242SC..Hα-helixtrans-96.3-36.5-177.1-66.2176.1000113.2P265 V268 K302 Y303P265-L306 HydrophobicContact CB-CD1 3.77Å; V268-L306 HydrophobicContact CG1-CB 3.98Å; K302-L306 HydrophobicContact CG-CD1 3.96Å; K302-L306 VanDerWaalsContact O-CG 3.32Å; K302-L306 WeakPolarHBondContact O-CG 3.49Å; K302-L306 PolarHBondContact O-N 2.99Å; Y303-L306 PolarHBondContact O-N 3.07Å; Y303-L306 VanDerWaalsContact O-N 3.16Å
307Y98.3Very high95.2Very high7 Ų745.3 Ų45.33%0.02723%0.231CC..  trans-107.9145-176.5-70.9-83.1000111.9L260 S264 V268 R288 I289 G290 Y303L260-Y307 HydrophobicContact CD2-CE1 4.25Å; S264-Y307 PolarHBondContact O-OH 2.7Å; V268-Y307 HydrophobicContact CG1-CD1 4.1Å; V268-Y307 HydrophobicContact CG1-CD2 4.08Å; V268-Y307 HydrophobicContact CG1-CE1 3.68Å; V268-Y307 HydrophobicContact CG1-CE2 3.65Å; V268-Y307 HydrophobicContact CG1-CG 4.29Å; V268-Y307 VanDerWaalsContact CG1-CZ 3.43Å; R288-Y307 HydrophobicContact CB-CD1 3.73Å; R288-Y307 HydrophobicContact CB-CE1 4.37Å; I289-Y307 WeakPolarHBondContact O-CE1 3.36Å; G290-Y307 VanDerWaalsContact CA-CE1 3.44Å; Y303-Y307 HydrophobicContact CD1-CD2 4.03Å; Y303-Y307 HydrophobicContact CD1-CE2 4.07Å; Y303-Y307 HydrophobicContact CE1-CE2 4.33Å; Y303-Y307 HydrophobicContact CG-CD2 4.43Å; Y303-Y307 WeakPolarHBondContact O-CB 3.42Å; Y303-Y307 PolarHBondContact O-N 2.78Å
308D97.5Very high95.4Very high24 Ų2438.9 Ų38.913%0.12820%0.201CC..SBendtrans-72.1-40.8175.7-65.5-64.6000110.9V58 K61 L287 R288V58-D308 HydrophobicContact CG2-CB 3.94Å; K61-D308 IonicContact NZ-OD1 2.81Å; K61-D308 PolarHBondContact NZ-OD1 2.94Å; K61-D308 IonicContact NZ-OD2 2.79Å; K61-D308 PolarHBondContact NZ-OD2 3.33Å; L287-D308 HydrophobicContact CD1-CB 3.75Å; R288-D308 PolarHBondContact N-OD2 2.94Å; R288-D308 WeakPolarHBondContact O-CB 3.26Å; R288-D308 PolarHBondContact O-N 3.32Å
309I97.7Very high95.6Very high0 Ų032.5 Ų32.50%017%0.171CC..EExtended strand (participates in β ladder)trans-127.7125.9177.2-52.2176.8000108.5I35 V50 I52 V58 R288 I289 G290 L311 I323I35-I309 HydrophobicContact CD1-CD1 4.46Å; V50-I309 HydrophobicContact CG1-CG2 3.88Å; I52-I309 HydrophobicContact CD1-CG1 4.24Å; I52-I309 HydrophobicContact CG1-CB 4.49Å; I52-I309 HydrophobicContact CG1-CG1 4.17Å; I52-I309 HydrophobicContact CG1-CG2 4.25Å; V58-I309 HydrophobicContact CG1-CD1 3.97Å; V58-I309 HydrophobicContact CG1-CG1 4.09Å; V58-I309 HydrophobicContact CG2-CG1 4.33Å; R288-I309 PolarHBondContact O-N 3.18Å; R288-I309 VanDerWaalsContact O-N 3.12Å; I289-I309 CarbonylContact C-O 3.55Å; I289-I309 WeakPolarHBondContact CA-O 3.29Å; I289-I309 HydrophobicContact CD1-CD1 4.37Å; I289-I309 HydrophobicContact CG1-CB 4.25Å; I289-I309 HydrophobicContact CG1-CD1 4.33Å; G290-I309 PolarHBondContact N-O 3.17Å; I309-L311 HydrophobicContact CG2-CD2 3.85Å; I309-I323 HydrophobicContact CD1-CD1 4.17Å
310V97.3Very high95.8Very high1 Ų131.1 Ų31.11%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-110.2125.6175.3-177.60000109.6V50 Y51 G290 L292 L300 Y303 Q304 V312V50-V310 WeakPolarHBondContact CA-O 3.47Å; Y51-V310 PolarHBondContact N-O 2.97Å; Y51-V310 PolarHBondContact O-N 3.02Å; G290-V310 CarbonylContact O-C 3.49Å; G290-V310 WeakPolarHBondContact O-CA 3.34Å; L292-V310 HydrophobicContact CB-CG1 3.85Å; L292-V310 HydrophobicContact CD2-CG1 4.38Å; L300-V310 HydrophobicContact CD1-CG1 4.29Å; Y303-V310 HydrophobicContact CD1-CG1 4.42Å; Q304-V310 HydrophobicContact CG-CG2 4.18Å; V310-V312 HydrophobicContact CG1-CG2 4.22Å
311L96.4Very high95.9Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-106.5101.2178.4-54-174.3000108.7V50 I289 G290 F291 L292 I309 D314 I319V50-L311 HydrophobicContact CB-CD2 4.41Å; V50-L311 HydrophobicContact CG1-CD2 3.95Å; V50-L311 HydrophobicContact CG2-CD2 4Å; I289-L311 HydrophobicContact CG2-CD1 3.66Å; I289-L311 HydrophobicContact CG2-CG 3.87Å; G290-L311 PolarHBondContact O-N 3.47Å; F291-L311 CarbonylContact C-O 3.6Å; F291-L311 WeakPolarHBondContact CA-O 3.42Å; F291-L311 HydrophobicContact CD1-CB 4.03Å; F291-L311 HydrophobicContact CD1-CD1 4.16Å; F291-L311 HydrophobicContact CE1-CB 4.28Å; F291-L311 HydrophobicContact CE1-CD1 3.58Å; F291-L311 HydrophobicContact CZ-CD1 3.81Å; L292-L311 PolarHBondContact N-O 3.11Å; I309-L311 HydrophobicContact CG2-CD2 3.85Å; L311-D314 HydrophobicContact CB-CB 3.92Å; L311-I319 HydrophobicContact CD1-CB 4.4Å; L311-I319 HydrophobicContact CD1-CD1 4.47Å; L311-I319 HydrophobicContact CD2-CD1 3.42Å; L311-I319 VanDerWaalsContact CD2-CD1 3.42Å
312V94.9Very high95.9Very high4 Ų426.5 Ų26.52%0.02414%0.139CC..EExtended strand (participates in β ladder)trans-83.1127.1179.9173.70000108.7T48 A49 Y51 L292 V296 L300 V310 D314T48-V312 WeakPolarHBondContact CA-O 3.29Å; T48-V312 WeakPolarHBondContact CG2-O 3.32Å; A49-V312 HydrophobicContact CB-CB 4.31Å; A49-V312 PolarHBondContact N-O 2.91Å; A49-V312 VanDerWaalsContact N-O 3.08Å; A49-V312 PolarHBondContact O-N 2.84Å; Y51-V312 HydrophobicContact CD2-CG2 3.73Å; Y51-V312 HydrophobicContact CE2-CB 4.35Å; Y51-V312 HydrophobicContact CE2-CG2 3.63Å; L292-V312 HydrophobicContact CB-CG2 4.22Å; L292-V312 HydrophobicContact CD2-CG2 4.16Å; L292-V312 HydrophobicContact CG-CG2 4.47Å; L292-V312 WeakPolarHBondContact O-CA 3.4Å; V296-V312 HydrophobicContact CB-CG1 4.44Å; V296-V312 HydrophobicContact CG1-CG1 3.6Å; V296-V312 HydrophobicContact CG1-CG2 4.19Å; V296-V312 HydrophobicContact CG2-CG1 3.91Å; L300-V312 HydrophobicContact CD1-CG2 4.09Å; V310-V312 HydrophobicContact CG1-CG2 4.22Å; V312-D314 PolarHBondContact O-N 3.18Å
313N92.5Very high95.9Very high48 Ų4823.1 Ų23.126%0.25712%0.124SC..THydrogen-bonded Turntrans47.436.4177.5-57.6-49.4000114.1T47 T48 L292T47-N313 WeakPolarHBondContact CB-ND2 3.42Å; T47-N313 PolarHBondContact O-ND2 3.12Å; T48-N313 PolarHBondContact OG1-O 2.73Å; L292-N313 PolarHBondContact O-N 3.34Å
314D93.5Very high95.8Very high2 Ų222.4 Ų22.41%0.01112%0.121CC..  trans-92.9115.4176.5-159.1-22.9000109.8R42 T48 R172 L311 V312 T316R42-D314 IonicContact NH1-OD1 3.87Å; R42-D314 PolarHBondContact NH1-OD1 3.41Å; R42-D314 IonicContact NH1-OD2 3.91Å; R42-D314 IonicContact NH2-OD2 3.66Å; T48-D314 HydrophobicContact CG2-CB 3.77Å; R172-D314 PolarHBondContact NE-O 3.27Å; L311-D314 HydrophobicContact CB-CB 3.92Å; V312-D314 PolarHBondContact O-N 3.18Å; D314-T316 VanDerWaalsContact C-N 3.27Å; D314-T316 WeakPolarHBondContact OD1-CA 3.28Å; D314-T316 WeakPolarHBondContact OD1-CB 3.28Å; D314-T316 PolarHBondContact OD1-N 2.97Å; D314-T316 PolarHBondContact OD1-OG1 3.42Å
315S94.3Very high95.6Very high49 Ų4923.5 Ų23.534%0.34313%0.127SC..  trans-90.313.5176.354.90000113K85 R172 D173K85-S315 WeakPolarHBondContact CE-O 3.46Å; R172-S315 WeakPolarHBondContact CA-O 3.47Å; R172-S315 WeakPolarHBondContact CB-O 3.41Å; R172-S315 WeakPolarHBondContact CG-O 3.38Å; D173-S315 PolarHBondContact N-O 3.28Å; D173-S315 VanDerWaalsContact N-O 3.1Å
316T95.4Very high95.2Very high19 Ų1920.8 Ų20.812%0.11711%0.107CC..BIsolated β-bridgetrans-122.9160-177.478.70000112.4D173 D314 E318D173-T316 HydrophobicContact CB-CG2 4.15Å; D173-T316 CarbonylContact O-C 3.56Å; D173-T316 WeakPolarHBondContact O-CA 3.48Å; D314-T316 VanDerWaalsContact C-N 3.27Å; D314-T316 WeakPolarHBondContact OD1-CA 3.28Å; D314-T316 WeakPolarHBondContact OD1-CB 3.28Å; D314-T316 PolarHBondContact OD1-N 2.97Å; D314-T316 PolarHBondContact OD1-OG1 3.42Å; T316-E318 WeakPolarHBondContact OG1-CB 3.26Å; T316-E318 PolarHBondContact OG1-N 3.44Å
317F96.3Very high94.8Very high0 Ų018 Ų180%09%0.093CC..  trans-103.421.5168.9-102.3-129.8000111.7T82 L83 R172 D173 K174 V175 F178 L261 F291 I319 P320 Y321T82-F317 HydrophobicContact CG2-CZ 4.46Å; T82-F317 WeakPolarHBondContact O-CE2 3.39Å; L83-F317 HydrophobicContact CD2-CE1 3.69Å; L83-F317 HydrophobicContact CD2-CZ 3.66Å; R172-F317 HydrophobicContact CB-CD2 3.73Å; R172-F317 HydrophobicContact CB-CE2 4.32Å; R172-F317 HydrophobicContact CG-CD2 4.26Å; D173-F317 WeakPolarHBondContact O-CB 3.37Å; D173-F317 PolarHBondContact O-N 2.71Å; K174-F317 HydrophobicContact CB-CB 4.04Å; V175-F317 HydrophobicContact CG2-CB 4.12Å; V175-F317 HydrophobicContact CG2-CD1 3.9Å; V175-F317 HydrophobicContact CG2-CD2 3.83Å; V175-F317 HydrophobicContact CG2-CE1 4.29Å; V175-F317 HydrophobicContact CG2-CE2 4.27Å; V175-F317 HydrophobicContact CG2-CG 3.66Å; V175-F317 HydrophobicContact CG2-CZ 4.47Å; F178-F317 AromaticContact CD1-CD1 3.96Å; F178-F317 HydrophobicContact CD1-CD1 3.96Å; F178-F317 HydrophobicContact CD1-CE1 4.22Å; F178-F317 HydrophobicContact CE1-CD1 4.29Å; F178-F317 HydrophobicContact CE1-CE1 4.19Å; F178-F317 HydrophobicContact CG-CD1 4.15Å; L261-F317 HydrophobicContact CD1-CE1 4.07Å; L261-F317 HydrophobicContact CD1-CZ 4.45Å; L261-F317 HydrophobicContact CD2-CE1 4.47Å; L261-F317 HydrophobicContact CD2-CZ 4.39Å; F291-F317 HydrophobicContact CE1-CD2 4.37Å; F291-F317 HydrophobicContact CE1-CE2 4.16Å; F291-F317 AromaticContact CE2-CE2 3.65Å; F291-F317 HydrophobicContact CE2-CE2 3.65Å; F291-F317 HydrophobicContact CE2-CZ 4.06Å; F291-F317 AromaticContact CZ-CD2 3.74Å; F291-F317 HydrophobicContact CZ-CD2 3.74Å; F291-F317 AromaticContact CZ-CE2 3.3Å; F291-F317 HydrophobicContact CZ-CE2 3.3Å; F291-F317 HydrophobicContact CZ-CZ 4.07Å; F317-I319 VanDerWaalsContact C-N 3.34Å; F317-I319 PolarHBondContact O-N 3.45Å; F317-P320 HydrophobicContact CD1-CB 4.08Å; F317-P320 HydrophobicContact CD1-CG 4.23Å; F317-P320 HydrophobicContact CG-CG 4.31Å; F317-P320 WeakPolarHBondContact O-CD 3.36Å; F317-Y321 WeakPolarHBondContact O-CB 3.1Å; F317-Y321 PolarHBondContact O-N 3.3Å
318E95.2Very high94.3Very high45 Ų4517.9 Ų17.921%0.219%0.093CC..Hα-helixtrans-59.7-41.1-174.8-175.266.8-166.800112.7T316 K322T316-E318 WeakPolarHBondContact OG1-CB 3.26Å; T316-E318 PolarHBondContact OG1-N 3.44Å; E318-K322 HydrophobicContact CG-CD 4.32Å; E318-K322 WeakPolarHBondContact O-CB 3.5Å; E318-K322 WeakPolarHBondContact O-CG 3.48Å; E318-K322 PolarHBondContact O-N 2.9Å; E318-K322 WeakPolarHBondContact OE1-CE 3.22Å; E318-K322 IonicContact OE1-NZ 2.74Å; E318-K322 PolarHBondContact OE1-NZ 3.37Å
319I95.4Very high93.3Very high1 Ų121 Ų211%0.00512%0.115CC..Hα-helixtrans-71-52.5178.9-72.8164.2000111.6I35 V50 I289 L311 F317 Y321 K322 I323I35-I319 HydrophobicContact CD1-CG2 4.29Å; I35-I319 HydrophobicContact CG1-CG2 4.13Å; I35-I319 HydrophobicContact CG2-CD1 4.31Å; I35-I319 HydrophobicContact CG2-CG2 4.32Å; V50-I319 HydrophobicContact CG1-CD1 4.28Å; V50-I319 HydrophobicContact CG2-CD1 3.53Å; I289-I319 HydrophobicContact CD1-CG2 4.44Å; L311-I319 HydrophobicContact CD1-CB 4.4Å; L311-I319 HydrophobicContact CD1-CD1 4.47Å; L311-I319 HydrophobicContact CD2-CD1 3.42Å; L311-I319 VanDerWaalsContact CD2-CD1 3.42Å; F317-I319 VanDerWaalsContact C-N 3.34Å; F317-I319 PolarHBondContact O-N 3.45Å; I319-Y321 PolarHBondContact O-N 2.92Å; I319-K322 PolarHBondContact O-N 3.15Å; I319-I323 HydrophobicContact CG2-CD1 3.88Å; I319-I323 WeakPolarHBondContact O-CG1 3.38Å; I319-I323 PolarHBondContact O-N 3.41Å
320P97.4Very high91.7Very high0 Ų023.6 Ų23.60%013%0.127CC..Hα-helixtrans-51.9-43.9171.7-27.933.4000112.9F178 L261 I289 F291 F317 I323 I324F178-P320 HydrophobicContact CD2-CB 4.38Å; F178-P320 HydrophobicContact CE2-CB 3.92Å; F178-P320 HydrophobicContact CZ-CB 4.37Å; L261-P320 HydrophobicContact CD2-CB 3.96Å; L261-P320 HydrophobicContact CD2-CG 3.54Å; I289-P320 HydrophobicContact CD1-CG 4.25Å; F291-P320 HydrophobicContact CZ-CG 4.41Å; F317-P320 HydrophobicContact CD1-CB 4.08Å; F317-P320 HydrophobicContact CD1-CG 4.23Å; F317-P320 HydrophobicContact CG-CG 4.31Å; F317-P320 WeakPolarHBondContact O-CD 3.36Å; P320-I323 PolarHBondContact O-N 3.27Å; P320-I324 PolarHBondContact O-N 3.36Å; P320-I324 VanDerWaalsContact O-N 3.13Å
321Y96.4Very high89.7Confident39 Ų3926.8 Ų26.815%0.15314%0.144CC..Hα-helixtrans-62.6-48.9179.2-175.2-122.6000112.8K174 E177 F178 L181 F317 I319 I323 I324 Q325K174-Y321 HydrophobicContact CD-CD1 4.3Å; E177-Y321 HydrophobicContact CB-CE2 4.02Å; F178-Y321 HydrophobicContact CB-CD2 4.12Å; F178-Y321 HydrophobicContact CD2-CD2 4.35Å; L181-Y321 HydrophobicContact CB-CE2 4.08Å; L181-Y321 HydrophobicContact CD2-CD2 4.05Å; L181-Y321 HydrophobicContact CD2-CE2 3.55Å; L181-Y321 HydrophobicContact CG-CE2 4.45Å; F317-Y321 WeakPolarHBondContact O-CB 3.1Å; F317-Y321 PolarHBondContact O-N 3.3Å; I319-Y321 PolarHBondContact O-N 2.92Å; Y321-I323 VanDerWaalsContact C-N 3.31Å; Y321-I323 PolarHBondContact O-N 3.44Å; Y321-I324 PolarHBondContact O-N 2.91Å; Y321-Q325 HydrophobicContact CD2-CG 4.42Å; Y321-Q325 VanDerWaalsContact CE1-CD 3.44Å; Y321-Q325 HydrophobicContact CE1-CG 4.23Å; Y321-Q325 HydrophobicContact CE2-CG 4.15Å; Y321-Q325 WeakPolarHBondContact O-CG 3.36Å; Y321-Q325 PolarHBondContact O-N 3.27Å; Y321-Q325 PolarHBondContact OH-NE2 3.28Å
322K93.5Very high87.4Confident49 Ų4936 Ų3621%0.21319%0.187CC..Hα-helixtrans-61.3-37.1176.4-80.3175.7167.2151.50113.2L31 E318 I319 Q325 S326L31-K322 HydrophobicContact CD1-CB 3.92Å; E318-K322 HydrophobicContact CG-CD 4.32Å; E318-K322 WeakPolarHBondContact O-CB 3.5Å; E318-K322 WeakPolarHBondContact O-CG 3.48Å; E318-K322 PolarHBondContact O-N 2.9Å; E318-K322 WeakPolarHBondContact OE1-CE 3.22Å; E318-K322 IonicContact OE1-NZ 2.74Å; E318-K322 PolarHBondContact OE1-NZ 3.37Å; I319-K322 PolarHBondContact O-N 3.15Å; K322-Q325 PolarHBondContact O-N 3.22Å; K322-S326 WeakPolarHBondContact O-CB 3.35Å; K322-S326 PolarHBondContact O-N 2.64Å
323I94.4Very high87Confident0 Ų037.6 Ų37.60%020%0.196CC..Hα-helixtrans-60-49.4175.3-71.8164.6000110L31 I35 L62 L287 I289 I309 I319 P320 Y321 S326 I327L31-I323 HydrophobicContact CD1-CG1 4.45Å; L31-I323 HydrophobicContact CD2-CB 4.47Å; L31-I323 HydrophobicContact CD2-CG1 4.05Å; I35-I323 HydrophobicContact CD1-CD1 4.09Å; I35-I323 HydrophobicContact CD1-CG1 3.94Å; L62-I323 HydrophobicContact CD2-CD1 4.45Å; L62-I323 HydrophobicContact CD2-CG1 4.1Å; L62-I323 HydrophobicContact CD2-CG2 3.76Å; L287-I323 HydrophobicContact CD2-CD1 4.3Å; L287-I323 HydrophobicContact CD2-CG2 4.47Å; I289-I323 HydrophobicContact CD1-CD1 3.62Å; I309-I323 HydrophobicContact CD1-CD1 4.17Å; I319-I323 HydrophobicContact CG2-CD1 3.88Å; I319-I323 WeakPolarHBondContact O-CG1 3.38Å; I319-I323 PolarHBondContact O-N 3.41Å; P320-I323 PolarHBondContact O-N 3.27Å; Y321-I323 VanDerWaalsContact C-N 3.31Å; Y321-I323 PolarHBondContact O-N 3.44Å; I323-S326 PolarHBondContact O-N 2.97Å; I323-I327 HydrophobicContact CG2-CD1 3.7Å; I323-I327 WeakPolarHBondContact O-CG1 3.43Å; I323-I327 PolarHBondContact O-N 3.05Å
324I95Very high86.7Confident0 Ų037.1 Ų37.10%019%0.192CC..Hα-helixtrans-64.5-45.1179.1-65-58.4000111.6L73 I75 F178 L181 L182 L259 P320 Y321 S326 I327 L328L73-I324 HydrophobicContact CD2-CD1 3.68Å; I75-I324 HydrophobicContact CD1-CD1 3.81Å; F178-I324 HydrophobicContact CD2-CG1 4.25Å; F178-I324 HydrophobicContact CE2-CB 4.35Å; F178-I324 HydrophobicContact CE2-CG1 3.49Å; F178-I324 VanDerWaalsContact CE2-CG1 3.49Å; F178-I324 HydrophobicContact CZ-CG1 4.27Å; L181-I324 HydrophobicContact CD2-CB 4.4Å; L181-I324 HydrophobicContact CD2-CG2 3.71Å; L181-I324 HydrophobicContact CG-CG2 4.14Å; L182-I324 HydrophobicContact CD2-CD1 4.22Å; L182-I324 HydrophobicContact CD2-CG1 4.26Å; L182-I324 HydrophobicContact CD2-CG2 3.96Å; L259-I324 HydrophobicContact CD2-CD1 3.95Å; L259-I324 HydrophobicContact CD2-CG1 4.17Å; P320-I324 PolarHBondContact O-N 3.36Å; P320-I324 VanDerWaalsContact O-N 3.13Å; Y321-I324 PolarHBondContact O-N 2.91Å; I324-S326 VanDerWaalsContact C-N 3.29Å; I324-S326 PolarHBondContact O-N 3.07Å; I324-I327 HydrophobicContact CD1-CD1 4.46Å; I324-I327 PolarHBondContact O-N 2.95Å; I324-L328 HydrophobicContact CG2-CD1 3.54Å; I324-L328 HydrophobicContact CG2-CG 4.09Å; I324-L328 WeakPolarHBondContact O-CB 3.32Å; I324-L328 VanDerWaalsContact O-CG 3.26Å; I324-L328 WeakPolarHBondContact O-CG 3.46Å; I324-L328 PolarHBondContact O-N 2.88Å
325Q92.4Very high86.3Confident73 Ų7339 Ų3934%0.34120%0.203SC..Hα-helixtrans-55.4-45.6175.7-71.7-175.9-55.400111.8L181 Y321 K322 L328 C329L181-Q325 HydrophobicContact CD2-CG 3.64Å; Y321-Q325 HydrophobicContact CD2-CG 4.42Å; Y321-Q325 VanDerWaalsContact CE1-CD 3.44Å; Y321-Q325 HydrophobicContact CE1-CG 4.23Å; Y321-Q325 HydrophobicContact CE2-CG 4.15Å; Y321-Q325 WeakPolarHBondContact O-CG 3.36Å; Y321-Q325 PolarHBondContact O-N 3.27Å; Y321-Q325 PolarHBondContact OH-NE2 3.28Å; K322-Q325 PolarHBondContact O-N 3.22Å; Q325-L328 PolarHBondContact O-N 2.85Å; Q325-C329 WeakPolarHBondContact O-CB 3.28Å; Q325-C329 PolarHBondContact O-N 3.02Å; Q325-C329 PolarHBondContact O-SG 3.05Å
326S88.8Confident85.9Confident16 Ų1638.4 Ų38.411%0.11219%0.194CC..Hα-helixtrans-62.7-44.1178.3-173.20000112.5K322 I323 I324 L328 H330K322-S326 WeakPolarHBondContact O-CB 3.35Å; K322-S326 PolarHBondContact O-N 2.64Å; I323-S326 PolarHBondContact O-N 2.97Å; I324-S326 VanDerWaalsContact C-N 3.29Å; I324-S326 PolarHBondContact O-N 3.07Å; S326-L328 VanDerWaalsContact C-N 3.3Å; S326-L328 PolarHBondContact O-N 2.95Å; S326-H330 PolarHBondContact O-CD2 3.11Å
327I89Confident85.3Confident2 Ų239.6 Ų39.61%0.0120%0.199CC..Hα-helixtrans-62.7-38.9176.7-68.6161.5000111L65 A66 L73 I323 I324 N331L65-I327 HydrophobicContact CB-CD1 3.68Å; L65-I327 HydrophobicContact CB-CG1 4.13Å; L65-I327 HydrophobicContact CD1-CD1 3.89Å; L65-I327 HydrophobicContact CG-CD1 4.43Å; A66-I327 HydrophobicContact CB-CG1 4.46Å; L73-I327 HydrophobicContact CD2-CD1 4.29Å; L73-I327 HydrophobicContact CD2-CG2 4.26Å; I323-I327 HydrophobicContact CG2-CD1 3.7Å; I323-I327 WeakPolarHBondContact O-CG1 3.43Å; I323-I327 PolarHBondContact O-N 3.05Å; I324-I327 HydrophobicContact CD1-CD1 4.46Å; I324-I327 PolarHBondContact O-N 2.95Å; I327-N331 PolarHBondContact O-ND2 3.33Å
328L87.6Confident84.5Confident3 Ų342.3 Ų42.32%0.01621%0.212CC..Hα-helixtrans-77.5-38.7-176.5-68.1176.8000113.4K70 L181 Y185 I187 I324 Q325 S326 H330 N331K70-L328 HydrophobicContact CB-CD2 3.64Å; K70-L328 HydrophobicContact CD-CD2 4.32Å; L181-L328 HydrophobicContact CD1-CD1 3.76Å; L181-L328 HydrophobicContact CD2-CD1 4Å; L181-L328 HydrophobicContact CG-CD1 3.67Å; Y185-L328 HydrophobicContact CD1-CD1 4.49Å; Y185-L328 HydrophobicContact CD1-CD2 3.84Å; Y185-L328 HydrophobicContact CD2-CD1 3.55Å; Y185-L328 HydrophobicContact CD2-CD2 4.32Å; Y185-L328 HydrophobicContact CD2-CG 4.46Å; Y185-L328 HydrophobicContact CE1-CD2 4.28Å; Y185-L328 HydrophobicContact CE2-CD1 3.79Å; Y185-L328 HydrophobicContact CG-CD1 3.91Å; Y185-L328 HydrophobicContact CG-CD2 3.82Å; Y185-L328 HydrophobicContact CG-CG 4.44Å; I187-L328 HydrophobicContact CD1-CD2 3.97Å; I324-L328 HydrophobicContact CG2-CD1 3.54Å; I324-L328 HydrophobicContact CG2-CG 4.09Å; I324-L328 WeakPolarHBondContact O-CB 3.32Å; I324-L328 VanDerWaalsContact O-CG 3.26Å; I324-L328 WeakPolarHBondContact O-CG 3.46Å; I324-L328 PolarHBondContact O-N 2.88Å; Q325-L328 PolarHBondContact O-N 2.85Å; S326-L328 VanDerWaalsContact C-N 3.3Å; S326-L328 PolarHBondContact O-N 2.95Å; L328-H330 PolarHBondContact O-N 3.35Å; L328-N331 PolarHBondContact O-N 2.97Å
329C76.1Confident83.8Confident89 Ų8942.1 Ų42.160%0.60121%0.213SC*.Hα-helixtrans-57.5-18.1176.3-75.60000113.9Q325Q325-C329 WeakPolarHBondContact O-CB 3.28Å; Q325-C329 PolarHBondContact O-N 3.02Å; Q325-C329 PolarHBondContact O-SG 3.05Å
330H63Low82.9Confident55 Ų5545.2 Ų45.226%0.25523%0.229SC..THydrogen-bonded Turntrans-88.7-12177.4-74.1-52.3000115T27 S326 L328T27-H330 WeakPolarHBondContact CB-CE1 3.5Å; T27-H330 WeakPolarHBondContact CB-NE2 3.29Å; T27-H330 WeakPolarHBondContact CG2-NE2 3.47Å; T27-H330 PolarHBondContact OG1-CE1 2.94Å; T27-H330 PolarHBondContact OG1-NE2 3.33Å; S326-H330 PolarHBondContact O-CD2 3.11Å; L328-H330 PolarHBondContact O-N 3.35Å
331N55.3Low81.7Confident68 Ų6849 Ų4936%0.36425%0.248SC..  trans-101.45.7-176.9-66.1-62.8000113.6G69 K70 I327 L328G69-N331 VanDerWaalsContact CA-ND2 3.31Å; G69-N331 WeakPolarHBondContact CA-ND2 3.44Å; G69-N331 WeakPolarHBondContact CA-OD1 3.49Å; K70-N331 PolarHBondContact N-ND2 2.89Å; I327-N331 PolarHBondContact O-ND2 3.33Å; L328-N331 PolarHBondContact O-N 2.97Å
332E48.7Very low80.4Confident194 Ų19449.9 Ų49.991%0.90726%0.256SS*.  trans-98.20173.4-64.1-170.3165.600111.9Y185Y185-E332 PolarHBondContact OH-OE1 3.07Å

Retrieved 332 of 332 residues in 501.6 ms (Link to these results)

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