A0A5K4FAA7_SCHMA Loading...

Scavenger receptor class B member 2

AlphaFold DB , UniProt , Accession A0A5K4FAA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 507 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
1M61.8Low83Confident180 Ų180101.3 Ų101.389%0.88749%0.487SS*.  0-22.10-153.3174.7-93.800114.4P4 Y5M1-P4 WeakPolarHBondContact O-CD 3.08Å; M1-P4 WeakPolarHBondContact O-CG 3.31Å; M1-Y5 HydrophobicContact CG-CE2 4.15Å; M1-Y5 WeakPolarHBondContact O-CD2 3.48Å
2F70Confident84Confident106 Ų10695.7 Ų95.747%0.46546%0.461SS..Hα-helixtrans-69.8-35.8-175.5-170.1-116.2000116.4Y5 L6 Y456F2-Y5 PolarHBondContact O-N 2.89Å; F2-L6 HydrophobicContact CD1-CB 4.39Å; F2-L6 HydrophobicContact CD1-CD2 4.35Å; F2-L6 HydrophobicContact CE1-CB 4.19Å; F2-L6 HydrophobicContact CE1-CD1 4.21Å; F2-L6 HydrophobicContact CE1-CD2 3.86Å; F2-L6 HydrophobicContact CE1-CG 4.3Å; F2-L6 HydrophobicContact CZ-CD1 4.2Å; F2-L6 PolarHBondContact O-N 2.77Å; F2-Y456 HydrophobicContact CD2-CD2 4.27Å; F2-Y456 AromaticContact CD2-CE2 3.45Å; F2-Y456 HydrophobicContact CD2-CE2 3.45Å; F2-Y456 VanDerWaalsContact CD2-CE2 3.45Å; F2-Y456 AromaticContact CD2-CZ 3.73Å; F2-Y456 HydrophobicContact CE2-CE1 4.29Å; F2-Y456 AromaticContact CE2-CE2 3.78Å; F2-Y456 HydrophobicContact CE2-CE2 3.78Å; F2-Y456 AromaticContact CE2-CZ 3.6Å; F2-Y456 WeakPolarHBondContact CE2-OH 3.22Å
3Q76Confident84.7Confident131 Ų13192.2 Ų92.261%0.61245%0.453SS*.Hα-helixtrans-57.8-42.4-171.1-159.2177.57.100116R7Q3-R7 WeakPolarHBondContact O-CG 3.24Å; Q3-R7 PolarHBondContact O-N 3.36Å
4P81.7Confident85.4Confident79 Ų7992.7 Ų92.751%0.51346%0.457SS..Hα-helixtrans-67.1-42.617724.7-34.5000112.7M1 L6 R7 S8M1-P4 WeakPolarHBondContact O-CD 3.08Å; M1-P4 WeakPolarHBondContact O-CG 3.31Å; P4-L6 VanDerWaalsContact C-N 3.35Å; P4-L6 PolarHBondContact O-N 3.44Å; P4-R7 PolarHBondContact O-N 3Å; P4-S8 PolarHBondContact O-N 3.1Å; P4-S8 PolarHBondContact O-OG 2.87Å
5Y82.4Confident86Confident55 Ų5590.9 Ų90.922%0.21645%0.449CS..Hα-helixtrans-62-43.5178.6-67-62.5000111.8M1 F2 R7 S8 I9 I452 V455 Q459M1-Y5 HydrophobicContact CG-CE2 4.15Å; M1-Y5 WeakPolarHBondContact O-CD2 3.48Å; F2-Y5 PolarHBondContact O-N 2.89Å; Y5-R7 PolarHBondContact O-N 3.12Å; Y5-S8 PolarHBondContact O-N 2.74Å; Y5-I9 VanDerWaalsContact O-CG1 3.28Å; Y5-I9 WeakPolarHBondContact O-CG1 3.46Å; Y5-I9 PolarHBondContact O-N 3.13Å; Y5-I452 HydrophobicContact CD1-CG2 3.65Å; Y5-I452 HydrophobicContact CG-CG2 4.3Å; Y5-V455 HydrophobicContact CE1-CG1 4.31Å; Y5-Q459 PolarHBondContact OH-NE2 2.86Å; Y5-Q459 PolarHBondContact OH-OE1 2.89Å
6L85.9Confident86.5Confident71 Ų7186.1 Ų86.137%0.37243%0.429SS..Hα-helixtrans-60.9-44.2177.2-174.567.1000111.8F2 P4 S8 I9 I10F2-L6 HydrophobicContact CD1-CB 4.39Å; F2-L6 HydrophobicContact CD1-CD2 4.35Å; F2-L6 HydrophobicContact CE1-CB 4.19Å; F2-L6 HydrophobicContact CE1-CD1 4.21Å; F2-L6 HydrophobicContact CE1-CD2 3.86Å; F2-L6 HydrophobicContact CE1-CG 4.3Å; F2-L6 HydrophobicContact CZ-CD1 4.2Å; F2-L6 PolarHBondContact O-N 2.77Å; P4-L6 VanDerWaalsContact C-N 3.35Å; P4-L6 PolarHBondContact O-N 3.44Å; L6-S8 PolarHBondContact O-N 3.33Å; L6-I9 PolarHBondContact O-N 3.18Å; L6-I10 HydrophobicContact CD1-CD1 4.23Å; L6-I10 HydrophobicContact CD2-CD1 4.48Å; L6-I10 HydrophobicContact CG-CD1 3.86Å; L6-I10 WeakPolarHBondContact O-CB 3.48Å; L6-I10 WeakPolarHBondContact O-CG1 3.2Å; L6-I10 PolarHBondContact O-N 3.06Å
7R89.9Confident87Confident173 Ų17389 Ų8965%0.65344%0.439SS*.Hα-helixtrans-61-44.1177.1-75179.2176.4-177.3-0.2112.1Q3 P4 Y5 I10 F11Q3-R7 WeakPolarHBondContact O-CG 3.24Å; Q3-R7 PolarHBondContact O-N 3.36Å; P4-R7 PolarHBondContact O-N 3Å; Y5-R7 PolarHBondContact O-N 3.12Å; R7-I10 PolarHBondContact O-N 2.83Å; R7-F11 WeakPolarHBondContact O-CB 3.28Å; R7-F11 PolarHBondContact O-N 3.11Å
8S89.8Confident87.5Confident57 Ų5788.2 Ų88.240%0.39944%0.44SS..Hα-helixtrans-65.5-42.8177.5-63.50000112.4P4 Y5 L6 F11 L12P4-S8 PolarHBondContact O-N 3.1Å; P4-S8 PolarHBondContact O-OG 2.87Å; Y5-S8 PolarHBondContact O-N 2.74Å; L6-S8 PolarHBondContact O-N 3.33Å; S8-F11 PolarHBondContact O-N 2.88Å; S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 WeakPolarHBondContact O-CG 3.3Å; S8-L12 PolarHBondContact O-N 3.45Å
9I90.7Very high87.9Confident42 Ų4283.9 Ų83.922%0.21542%0.419CS..Hα-helixtrans-61.6-46.1176.1-68.8166.4000110.3Y5 L6 F11 L12 S13 I452Y5-I9 VanDerWaalsContact O-CG1 3.28Å; Y5-I9 WeakPolarHBondContact O-CG1 3.46Å; Y5-I9 PolarHBondContact O-N 3.13Å; L6-I9 PolarHBondContact O-N 3.18Å; I9-F11 PolarHBondContact O-N 3.13Å; I9-L12 PolarHBondContact O-N 3.31Å; I9-S13 VanDerWaalsContact O-CB 3.24Å; I9-S13 WeakPolarHBondContact O-CB 3.3Å; I9-S13 PolarHBondContact O-N 2.94Å; I9-S13 PolarHBondContact O-OG 2.88Å; I9-I452 HydrophobicContact CD1-CG2 3.84Å; I9-I452 HydrophobicContact CG1-CB 4.32Å; I9-I452 HydrophobicContact CG1-CG2 3.73Å
10I91.7Very high88.2Confident85 Ų8584.3 Ų84.344%0.43642%0.422SS..Hα-helixtrans-59.6-48.2178.5-69.6166.4000110.3L6 R7 S13 I14L6-I10 HydrophobicContact CD1-CD1 4.23Å; L6-I10 HydrophobicContact CD2-CD1 4.48Å; L6-I10 HydrophobicContact CG-CD1 3.86Å; L6-I10 WeakPolarHBondContact O-CB 3.48Å; L6-I10 WeakPolarHBondContact O-CG1 3.2Å; L6-I10 PolarHBondContact O-N 3.06Å; R7-I10 PolarHBondContact O-N 2.83Å; I10-S13 PolarHBondContact O-N 2.9Å; I10-I14 HydrophobicContact CG2-CD1 3.74Å; I10-I14 HydrophobicContact CG2-CG1 4.45Å; I10-I14 VanDerWaalsContact O-CG1 3.28Å; I10-I14 WeakPolarHBondContact O-CG1 3.5Å; I10-I14 PolarHBondContact O-N 3.09Å
11F93.5Very high88.6Confident135 Ų13584.3 Ų84.359%0.59242%0.423SS*.Hα-helixtrans-60.1-49.2179.2177.6-97.6000112.4R7 S8 I9 S13 I14 L15R7-F11 WeakPolarHBondContact O-CB 3.28Å; R7-F11 PolarHBondContact O-N 3.11Å; S8-F11 PolarHBondContact O-N 2.88Å; I9-F11 PolarHBondContact O-N 3.13Å; F11-S13 VanDerWaalsContact C-N 3.29Å; F11-S13 PolarHBondContact O-N 3.13Å; F11-I14 PolarHBondContact O-N 3.28Å; F11-L15 WeakPolarHBondContact O-CB 3.34Å; F11-L15 PolarHBondContact O-N 3.35Å
12L94.3Very high90.1Very high34 Ų3478 Ų7818%0.17840%0.397CS..Hα-helixtrans-64.5-35.4178.4-69.7175.9000112S8 I9 L15 A16 A445 I449 I452S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 WeakPolarHBondContact O-CG 3.3Å; S8-L12 PolarHBondContact O-N 3.45Å; I9-L12 PolarHBondContact O-N 3.31Å; L12-L15 PolarHBondContact O-N 2.85Å; L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.23Å; L12-A16 PolarHBondContact O-N 3.11Å; L12-A445 HydrophobicContact CD2-CB 4.4Å; L12-I449 HydrophobicContact CB-CD1 4.01Å; L12-I449 HydrophobicContact CB-CG1 3.68Å; L12-I449 HydrophobicContact CD1-CG1 4.2Å; L12-I452 HydrophobicContact CD1-CD1 3.83Å
13S92.7Very high91.3Very high51 Ų5175 Ų7536%0.35739%0.385SS..Hα-helixtrans-67-42.2177.1-57.90000111.3I9 I10 F11 A16 F17I9-S13 VanDerWaalsContact O-CB 3.24Å; I9-S13 WeakPolarHBondContact O-CB 3.3Å; I9-S13 PolarHBondContact O-N 2.94Å; I9-S13 PolarHBondContact O-OG 2.88Å; I10-S13 PolarHBondContact O-N 2.9Å; F11-S13 VanDerWaalsContact C-N 3.29Å; F11-S13 PolarHBondContact O-N 3.13Å; S13-A16 PolarHBondContact O-N 2.96Å; S13-F17 VanDerWaalsContact O-CB 3.25Å; S13-F17 WeakPolarHBondContact O-CB 3.35Å; S13-F17 PolarHBondContact O-N 3.06Å
14I94.5Very high92.2Very high99 Ų9972.8 Ų72.851%0.50838%0.383SS..Hα-helixtrans-62.9-46.4174.3-67.5165.8000110.1I10 F11 A16 F17 V18I10-I14 HydrophobicContact CG2-CD1 3.74Å; I10-I14 HydrophobicContact CG2-CG1 4.45Å; I10-I14 VanDerWaalsContact O-CG1 3.28Å; I10-I14 WeakPolarHBondContact O-CG1 3.5Å; I10-I14 PolarHBondContact O-N 3.09Å; F11-I14 PolarHBondContact O-N 3.28Å; I14-A16 PolarHBondContact O-N 3.15Å; I14-F17 PolarHBondContact O-N 3.04Å; I14-V18 HydrophobicContact CG2-CG2 4.25Å; I14-V18 WeakPolarHBondContact O-CB 3.48Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.25Å; I14-V18 PolarHBondContact O-N 3.14Å
15L94.6Very high92.8Very high65 Ų6573.2 Ų73.234%0.3438%0.38SS..Hα-helixtrans-60-48.2178.7-17764.5000111.3F11 L12 F17 V18 S19 I441F11-L15 WeakPolarHBondContact O-CB 3.34Å; F11-L15 PolarHBondContact O-N 3.35Å; L12-L15 PolarHBondContact O-N 2.85Å; L15-F17 VanDerWaalsContact C-N 3.34Å; L15-F17 PolarHBondContact O-N 3.35Å; L15-V18 PolarHBondContact O-N 3.35Å; L15-S19 WeakPolarHBondContact O-CB 3.29Å; L15-S19 PolarHBondContact O-N 2.92Å; L15-S19 PolarHBondContact O-OG 3.35Å; L15-I441 HydrophobicContact CD1-CG2 3.96Å; L15-I441 HydrophobicContact CD2-CG2 3.89Å; L15-I441 HydrophobicContact CG-CG2 3.64Å
16A94.3Very high93.3Very high15 Ų1572.3 Ų72.312%0.12438%0.379CS..Hα-helixtrans-59.5-44.2176.200000111.7L12 S13 I14 S19 L20 A445L12-A16 VanDerWaalsContact O-CB 3.3Å; L12-A16 WeakPolarHBondContact O-CB 3.23Å; L12-A16 PolarHBondContact O-N 3.11Å; S13-A16 PolarHBondContact O-N 2.96Å; I14-A16 PolarHBondContact O-N 3.15Å; A16-S19 PolarHBondContact O-N 3.42Å; A16-L20 VanDerWaalsContact O-CB 3.22Å; A16-L20 WeakPolarHBondContact O-CB 3.34Å; A16-L20 PolarHBondContact O-N 2.87Å; A16-A445 HydrophobicContact CB-CB 3.85Å
17F95.4Very high93.6Very high135 Ų13575.8 Ų75.859%0.59239%0.393SS*.Hα-helixtrans-64.1-46.5179.2-179.2-99.6000112.3S13 I14 L15 L20 L21S13-F17 VanDerWaalsContact O-CB 3.25Å; S13-F17 WeakPolarHBondContact O-CB 3.35Å; S13-F17 PolarHBondContact O-N 3.06Å; I14-F17 PolarHBondContact O-N 3.04Å; L15-F17 VanDerWaalsContact C-N 3.34Å; L15-F17 PolarHBondContact O-N 3.35Å; F17-L20 PolarHBondContact O-N 2.87Å; F17-L21 WeakPolarHBondContact O-CB 2.9Å; F17-L21 PolarHBondContact O-N 2.95Å
18V95.5Very high93.8Very high75 Ų7571 Ų7146%0.45539%0.385SS..Hα-helixtrans-65.3-40.3178.7172.40000111.4I14 L15 L21 S22I14-V18 HydrophobicContact CG2-CG2 4.25Å; I14-V18 WeakPolarHBondContact O-CB 3.48Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.25Å; I14-V18 PolarHBondContact O-N 3.14Å; L15-V18 PolarHBondContact O-N 3.35Å; V18-L21 PolarHBondContact O-N 3.41Å; V18-S22 WeakPolarHBondContact O-CB 3.29Å; V18-S22 PolarHBondContact O-N 3.29Å; V18-S22 PolarHBondContact O-OG 2.98Å
19S95Very high94Very high6 Ų673.5 Ų73.54%0.04239%0.388CS..Hα-helixtrans-68.9-38.7176.4-66.20000112.3L15 A16 S22 L23 I441L15-S19 WeakPolarHBondContact O-CB 3.29Å; L15-S19 PolarHBondContact O-N 2.92Å; L15-S19 PolarHBondContact O-OG 3.35Å; A16-S19 PolarHBondContact O-N 3.42Å; S19-S22 WeakPolarHBondContact O-CB 3.41Å; S19-S22 PolarHBondContact O-N 3.35Å; S19-L23 WeakPolarHBondContact O-CG 3.25Å; S19-L23 PolarHBondContact O-N 3.37Å; S19-I441 WeakPolarHBondContact OG-CG2 3.26Å
20L95Very high94.1Very high92 Ų9273.1 Ų73.148%0.48239%0.387SS..Hα-helixtrans-64.7-43.8174-174.965.2000111.3A16 F17 S22 L23 C24 V442A16-L20 VanDerWaalsContact O-CB 3.22Å; A16-L20 WeakPolarHBondContact O-CB 3.34Å; A16-L20 PolarHBondContact O-N 2.87Å; F17-L20 PolarHBondContact O-N 2.87Å; L20-S22 VanDerWaalsContact C-N 3.33Å; L20-S22 PolarHBondContact O-N 2.85Å; L20-L23 WeakPolarHBondContact O-CB 3.27Å; L20-L23 PolarHBondContact O-N 3.25Å; L20-C24 PolarHBondContact O-N 3.45Å; L20-C24 PolarHBondContact O-SG 3.38Å; L20-C24 VanDerWaalsContact O-SG 3.36Å; L20-V442 HydrophobicContact CB-CG2 4.49Å
21L95.3Very high94.1Very high85 Ų8575.4 Ų75.445%0.44539%0.39SS..Hα-helixtrans-61.5-42.6174.6-175.863.9000111.3F17 V18 L23 C24 I25F17-L21 WeakPolarHBondContact O-CB 2.9Å; F17-L21 PolarHBondContact O-N 2.95Å; V18-L21 PolarHBondContact O-N 3.41Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 3.04Å; L21-C24 WeakPolarHBondContact O-CB 3.28Å; L21-C24 PolarHBondContact O-N 3.36Å; L21-I25 HydrophobicContact CD1-CD1 3.91Å; L21-I25 HydrophobicContact CD1-CG1 4.44Å; L21-I25 HydrophobicContact CD2-CD1 4.47Å; L21-I25 HydrophobicContact CG-CD1 3.79Å; L21-I25 WeakPolarHBondContact O-CG1 3.5Å; L21-I25 PolarHBondContact O-N 2.96Å
22S94.6Very high94Very high48 Ų4873.8 Ų73.834%0.33639%0.387SS..Hα-helixtrans-59.7-41.2174.1-61.70000112.1V18 S19 L20 I25 L26V18-S22 WeakPolarHBondContact O-CB 3.29Å; V18-S22 PolarHBondContact O-N 3.29Å; V18-S22 PolarHBondContact O-OG 2.98Å; S19-S22 WeakPolarHBondContact O-CB 3.41Å; S19-S22 PolarHBondContact O-N 3.35Å; L20-S22 VanDerWaalsContact C-N 3.33Å; L20-S22 PolarHBondContact O-N 2.85Å; S22-I25 PolarHBondContact O-N 3.21Å; S22-L26 WeakPolarHBondContact O-CB 3.31Å; S22-L26 PolarHBondContact O-N 2.64Å
23L94.6Very high93.9Very high41 Ų4175.7 Ų75.722%0.21540%0.397CS..Hα-helixtrans-61.8-42.7174.5-78.8167.3000111.9S19 L20 L21 I25 Q435 L438 I439 V442S19-L23 WeakPolarHBondContact O-CG 3.25Å; S19-L23 PolarHBondContact O-N 3.37Å; L20-L23 WeakPolarHBondContact O-CB 3.27Å; L20-L23 PolarHBondContact O-N 3.25Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L23 PolarHBondContact O-N 3.04Å; L23-I25 VanDerWaalsContact C-N 3.3Å; L23-I25 PolarHBondContact O-N 3.14Å; L23-Q435 HydrophobicContact CD2-CG 3.97Å; L23-L438 HydrophobicContact CD1-CB 4.02Å; L23-L438 HydrophobicContact CD2-CB 3.59Å; L23-L438 HydrophobicContact CD2-CD1 3.84Å; L23-L438 HydrophobicContact CD2-CG 4.38Å; L23-L438 HydrophobicContact CG-CB 3.59Å; L23-L438 HydrophobicContact CG-CD1 3.93Å; L23-L438 HydrophobicContact CG-CG 4.37Å; L23-I439 HydrophobicContact CD1-CG1 4.1Å; L23-I439 HydrophobicContact CD2-CG1 4.29Å; L23-V442 HydrophobicContact CD1-CG2 4.3Å
24C94.4Very high93.9Very high85 Ų8573.9 Ų73.957%0.57438%0.383SS*.Hα-helixtrans-64.3-34.5176.9-66.50000112.6L20 L21 P28L20-C24 PolarHBondContact O-N 3.45Å; L20-C24 PolarHBondContact O-SG 3.38Å; L20-C24 VanDerWaalsContact O-SG 3.36Å; L21-C24 WeakPolarHBondContact O-CB 3.28Å; L21-C24 PolarHBondContact O-N 3.36Å; C24-P28 WeakPolarHBondContact O-CD 3.35Å
25I94.8Very high93.7Very high88 Ų8869.9 Ų69.945%0.45136%0.362SS..Hα-helixtrans-89.2-20.9-176.7-62.1169000112.5L21 S22 L23 H27 P28 F29L21-I25 HydrophobicContact CD1-CD1 3.91Å; L21-I25 HydrophobicContact CD1-CG1 4.44Å; L21-I25 HydrophobicContact CD2-CD1 4.47Å; L21-I25 HydrophobicContact CG-CD1 3.79Å; L21-I25 WeakPolarHBondContact O-CG1 3.5Å; L21-I25 PolarHBondContact O-N 2.96Å; S22-I25 PolarHBondContact O-N 3.21Å; L23-I25 VanDerWaalsContact C-N 3.3Å; L23-I25 PolarHBondContact O-N 3.14Å; I25-H27 VanDerWaalsContact C-N 3.35Å; I25-H27 PolarHBondContact O-N 3.13Å; I25-P28 VanDerWaalsContact O-CD 3.28Å; I25-P28 WeakPolarHBondContact O-CD 3.46Å; I25-F29 HydrophobicContact CG2-CB 4.21Å; I25-F29 WeakPolarHBondContact O-CB 3.36Å; I25-F29 PolarHBondContact O-N 2.75Å
26L93.1Very high93.4Very high37 Ų3773.4 Ų73.419%0.19438%0.375CS..Hα-helixtrans-52.8-49.2-175.3-179.464000112.7S22 F29 L30 V434 Q435S22-L26 WeakPolarHBondContact O-CB 3.31Å; S22-L26 PolarHBondContact O-N 2.64Å; L26-F29 PolarHBondContact O-N 3.46Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 PolarHBondContact O-N 3.21Å; L26-V434 HydrophobicContact CD1-CG1 3.87Å; L26-V434 HydrophobicContact CD2-CG1 4.14Å; L26-Q435 HydrophobicContact CD2-CB 4.1Å
27H91.4Very high93.1Very high143 Ų14377.9 Ų77.966%0.66239%0.394SS*.Hα-helixtrans-72.4-45.2-176.5-147.2-53.3000112.9I25 F29 L30 W31I25-H27 VanDerWaalsContact C-N 3.35Å; I25-H27 PolarHBondContact O-N 3.13Å; H27-F29 VanDerWaalsContact C-N 3.29Å; H27-F29 PolarHBondContact O-N 3.34Å; H27-L30 PolarHBondContact O-N 2.85Å; H27-W31 WeakPolarHBondContact O-CB 3.34Å; H27-W31 PolarHBondContact O-N 3.36Å
28P94.6Very high92.8Very high74 Ų7472 Ų7248%0.48137%0.368SS..Hα-helixtrans-57.9-37.7169.3-27.434.6000113.9C24 I25 W31 L32C24-P28 WeakPolarHBondContact O-CD 3.35Å; I25-P28 VanDerWaalsContact O-CD 3.28Å; I25-P28 WeakPolarHBondContact O-CD 3.46Å; P28-W31 PolarHBondContact O-N 2.75Å; P28-L32 WeakPolarHBondContact O-CB 3.27Å; P28-L32 PolarHBondContact O-N 2.92Å
29F93.3Very high92.5Very high108 Ų10872.5 Ų72.547%0.47436%0.362SS..Hα-helixtrans-68.2-44.4178179.7-106.3000111.7I25 L26 H27 W31 L32 L33I25-F29 HydrophobicContact CG2-CB 4.21Å; I25-F29 WeakPolarHBondContact O-CB 3.36Å; I25-F29 PolarHBondContact O-N 2.75Å; L26-F29 PolarHBondContact O-N 3.46Å; H27-F29 VanDerWaalsContact C-N 3.29Å; H27-F29 PolarHBondContact O-N 3.34Å; F29-W31 VanDerWaalsContact C-N 3.31Å; F29-W31 PolarHBondContact O-N 2.95Å; F29-L32 WeakPolarHBondContact O-CB 3.41Å; F29-L32 PolarHBondContact O-N 3.42Å; F29-L33 HydrophobicContact CD1-CD1 3.88Å; F29-L33 HydrophobicContact CD1-CG 4.32Å; F29-L33 HydrophobicContact CE1-CD1 3.35Å; F29-L33 HydrophobicContact CE1-CG 3.96Å; F29-L33 HydrophobicContact CE2-CD2 4.44Å; F29-L33 HydrophobicContact CE2-CG 4.37Å; F29-L33 HydrophobicContact CZ-CD1 3.76Å; F29-L33 HydrophobicContact CZ-CD2 4.08Å; F29-L33 HydrophobicContact CZ-CG 3.98Å; F29-L33 WeakPolarHBondContact O-CG 3.49Å; F29-L33 PolarHBondContact O-N 2.93Å
30L92.6Very high92.4Very high35 Ų3572.3 Ų72.318%0.18336%0.361CS..Hα-helixtrans-59.1-44.7173.7-178.363.8000111.1L26 H27 L32 L33 I34 P431L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 PolarHBondContact O-N 3.21Å; H27-L30 PolarHBondContact O-N 2.85Å; L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 2.93Å; L30-L33 PolarHBondContact O-N 2.74Å; L30-I34 HydrophobicContact CD1-CD1 4.18Å; L30-I34 HydrophobicContact CD1-CG1 4.41Å; L30-I34 HydrophobicContact CG-CD1 3.9Å; L30-I34 WeakPolarHBondContact O-CG1 3.32Å; L30-I34 PolarHBondContact O-N 3.38Å; L30-P431 HydrophobicContact CD1-CG 4.3Å; L30-P431 HydrophobicContact CD2-CB 4.23Å; L30-P431 HydrophobicContact CD2-CG 3.88Å
31W92.5Very high92Very high133 Ų13371.1 Ų71.150%0.50436%0.355SS..Hα-helixtrans-57.9-43.5175.3-179.292.9000112.1H27 P28 F29 N35 F255H27-W31 WeakPolarHBondContact O-CB 3.34Å; H27-W31 PolarHBondContact O-N 3.36Å; P28-W31 PolarHBondContact O-N 2.75Å; F29-W31 VanDerWaalsContact C-N 3.31Å; F29-W31 PolarHBondContact O-N 2.95Å; W31-N35 VanDerWaalsContact CE3-ND2 3.32Å; W31-N35 WeakPolarHBondContact CH2-ND2 2.86Å; W31-N35 WeakPolarHBondContact CZ2-ND2 3.28Å; W31-N35 WeakPolarHBondContact CZ3-ND2 3.23Å; W31-N35 WeakPolarHBondContact O-CB 3.42Å; W31-N35 PolarHBondContact O-N 3.12Å; W31-N35 PolarHBondContact O-ND2 3.23Å; W31-F255 HydrophobicContact CB-CZ 4.29Å; W31-F255 AromaticContact CD1-CE1 3.49Å; W31-F255 VanDerWaalsContact CD1-CE1 3.49Å; W31-F255 AromaticContact CD1-CE2 3.44Å; W31-F255 VanDerWaalsContact CD1-CE2 3.44Å; W31-F255 AromaticContact CD1-CZ 3.13Å; W31-F255 HydrophobicContact CD2-CE2 4.49Å; W31-F255 HydrophobicContact CD2-CZ 4.48Å; W31-F255 HydrophobicContact CG-CE1 4.34Å; W31-F255 HydrophobicContact CG-CE2 4.18Å; W31-F255 AromaticContact CG-CZ 3.75Å; W31-F255 HydrophobicContact CG-CZ 3.75Å; W31-F255 AromaticContact NE1-CD2 3.66Å; W31-F255 AromaticContact NE1-CE2 3.3Å; W31-F255 VanDerWaalsContact NE1-CE2 3.3Å; W31-F255 AromaticContact NE1-CZ 3.56Å
32L92.4Very high91.8Very high101 Ų10173.4 Ų73.453%0.52936%0.363SS..Hα-helixtrans-64.2-42.1176.6-175.572000112P28 F29 L30 N35 K36P28-L32 WeakPolarHBondContact O-CB 3.27Å; P28-L32 PolarHBondContact O-N 2.92Å; F29-L32 WeakPolarHBondContact O-CB 3.41Å; F29-L32 PolarHBondContact O-N 3.42Å; L30-L32 VanDerWaalsContact C-N 3.32Å; L30-L32 PolarHBondContact O-N 2.93Å; L32-N35 PolarHBondContact O-N 3.06Å; L32-K36 WeakPolarHBondContact O-CB 3.12Å; L32-K36 PolarHBondContact O-N 3.24Å
33L91.7Very high91.4Very high73 Ų7375 Ų7538%0.38239%0.387SS..Hα-helixtrans-63.8-47.5177.8-74.4-178.9000111.8F29 L30 K36 Q37F29-L33 HydrophobicContact CD1-CD1 3.88Å; F29-L33 HydrophobicContact CD1-CG 4.32Å; F29-L33 HydrophobicContact CE1-CD1 3.35Å; F29-L33 HydrophobicContact CE1-CG 3.96Å; F29-L33 HydrophobicContact CE2-CD2 4.44Å; F29-L33 HydrophobicContact CE2-CG 4.37Å; F29-L33 HydrophobicContact CZ-CD1 3.76Å; F29-L33 HydrophobicContact CZ-CD2 4.08Å; F29-L33 HydrophobicContact CZ-CG 3.98Å; F29-L33 WeakPolarHBondContact O-CG 3.49Å; F29-L33 PolarHBondContact O-N 2.93Å; L30-L33 PolarHBondContact O-N 2.74Å; L33-K36 PolarHBondContact O-N 3.08Å; L33-Q37 WeakPolarHBondContact O-CG 3.45Å; L33-Q37 PolarHBondContact O-N 2.96Å
34I92.5Very high91.2Very high14 Ų1474 Ų747%0.07238%0.384CS..Hα-helixtrans-57.7-52.5176.5-68.7165.3000109L30 K36 Q37 T38 P254 F255 N370 T371 L427L30-I34 HydrophobicContact CD1-CD1 4.18Å; L30-I34 HydrophobicContact CD1-CG1 4.41Å; L30-I34 HydrophobicContact CG-CD1 3.9Å; L30-I34 WeakPolarHBondContact O-CG1 3.32Å; L30-I34 PolarHBondContact O-N 3.38Å; I34-K36 PolarHBondContact O-N 3.45Å; I34-K36 VanDerWaalsContact O-N 3.17Å; I34-Q37 PolarHBondContact O-N 3.44Å; I34-T38 HydrophobicContact CG2-CG2 3.95Å; I34-T38 VanDerWaalsContact O-CG2 3.32Å; I34-T38 WeakPolarHBondContact O-CG2 3.43Å; I34-T38 PolarHBondContact O-N 2.74Å; I34-T38 PolarHBondContact O-OG1 3.11Å; I34-P254 HydrophobicContact CG2-CB 4.12Å; I34-F255 HydrophobicContact CB-CZ 3.93Å; I34-F255 HydrophobicContact CD1-CE1 4.19Å; I34-F255 HydrophobicContact CD1-CZ 4.34Å; I34-F255 HydrophobicContact CG2-CE1 4.24Å; I34-F255 HydrophobicContact CG2-CE2 4.23Å; I34-F255 HydrophobicContact CG2-CZ 3.69Å; I34-N370 HydrophobicContact CD1-CB 4.14Å; I34-N370 WeakPolarHBondContact CG2-O 3.05Å; I34-T371 HydrophobicContact CG2-CG2 4.49Å; I34-L427 HydrophobicContact CD1-CD2 4.2Å; I34-L427 HydrophobicContact CG1-CD2 4.33Å
35N89.9Confident90.8Very high14 Ų1474.7 Ų74.78%0.07539%0.385CS..Hα-helixtrans-57-35.2178.4-89.2-35.1000114.3W31 L32 R39 N218 F255W31-N35 VanDerWaalsContact CE3-ND2 3.32Å; W31-N35 WeakPolarHBondContact CH2-ND2 2.86Å; W31-N35 WeakPolarHBondContact CZ2-ND2 3.28Å; W31-N35 WeakPolarHBondContact CZ3-ND2 3.23Å; W31-N35 WeakPolarHBondContact O-CB 3.42Å; W31-N35 PolarHBondContact O-N 3.12Å; W31-N35 PolarHBondContact O-ND2 3.23Å; L32-N35 PolarHBondContact O-N 3.06Å; N35-R39 WeakPolarHBondContact O-CG 2.98Å; N35-N218 VanDerWaalsContact CA-ND2 3.27Å; N35-N218 WeakPolarHBondContact CA-ND2 3.45Å; N35-N218 WeakPolarHBondContact CB-ND2 3.43Å; N35-N218 PolarHBondContact O-ND2 2.86Å; N35-N218 PolarHBondContact OD1-ND2 2.02Å; N35-F255 WeakPolarHBondContact OD1-CE2 3.04Å
36K88.1Confident90.6Very high140 Ų14072.4 Ų72.461%0.60937%0.374SS*.Hα-helixtrans-71.1-37.6177.5-174.7177.9177-178.40111.7L32 L33 I34L32-K36 WeakPolarHBondContact O-CB 3.12Å; L32-K36 PolarHBondContact O-N 3.24Å; L33-K36 PolarHBondContact O-N 3.08Å; I34-K36 PolarHBondContact O-N 3.45Å; I34-K36 VanDerWaalsContact O-N 3.17Å
37Q88.4Confident90.6Very high109 Ų10971.9 Ų71.951%0.50937%0.369SS..Hα-helixtrans-80-26.6-178.8-66.4-65-6.700112.9L33 I34 R39L33-Q37 WeakPolarHBondContact O-CG 3.45Å; L33-Q37 PolarHBondContact O-N 2.96Å; I34-Q37 PolarHBondContact O-N 3.44Å; Q37-R39 PolarHBondContact O-N 2.92Å
38T88.9Confident90.7Very high10 Ų1067.7 Ų67.76%0.06136%0.356CS..SBendtrans-88.740.3178.4630000112.4I34 I221 P254I34-T38 HydrophobicContact CG2-CG2 3.95Å; I34-T38 VanDerWaalsContact O-CG2 3.32Å; I34-T38 WeakPolarHBondContact O-CG2 3.43Å; I34-T38 PolarHBondContact O-N 2.74Å; I34-T38 PolarHBondContact O-OG1 3.11Å; T38-I221 WeakPolarHBondContact O-CD1 3.46Å; T38-P254 HydrophobicContact CG2-CB 4.17Å; T38-P254 WeakPolarHBondContact OG1-CG 3.42Å
39R90.4Very high90.6Very high87 Ų8767.4 Ų67.433%0.32835%0.348SS..SBendtrans-122.4141.6172.3-71.3176.2-179179.83.2108.9N35 Q37 N41 S44 N218N35-R39 WeakPolarHBondContact O-CG 2.98Å; Q37-R39 PolarHBondContact O-N 2.92Å; R39-N41 PolarHBondContact O-N 3.1Å; R39-S44 PolarHBondContact O-OG 2.92Å; R39-N218 VanDerWaalsContact CG-OD1 3.31Å; R39-N218 WeakPolarHBondContact CG-OD1 3.35Å; R39-N218 PolarHBondContact NE-OD1 3.48Å
40L92.1Very high90.6Very high2 Ų262.7 Ų62.71%0.0133%0.328CS..  trans-79.257.4176.3-71.7173.2000111.5L46 Y47 W50 I104 I211 D213 I221 I251L40-L46 HydrophobicContact CD2-CD2 4.39Å; L40-L46 HydrophobicContact CD2-CG 4.06Å; L40-Y47 HydrophobicContact CB-CD2 4.47Å; L40-W50 HydrophobicContact CD1-CD2 4.42Å; L40-W50 HydrophobicContact CD1-CG 4.45Å; L40-W50 HydrophobicContact CD2-CB 3.7Å; L40-W50 HydrophobicContact CD2-CD2 4.06Å; L40-W50 HydrophobicContact CD2-CE3 4.46Å; L40-W50 HydrophobicContact CD2-CG 3.72Å; L40-I104 HydrophobicContact CB-CD1 3.82Å; L40-I104 HydrophobicContact CD1-CD1 4.33Å; L40-I211 HydrophobicContact CD1-CD1 3.76Å; L40-D213 HydrophobicContact CB-CB 4.3Å; L40-D213 PolarHBondContact N-O 3.31Å; L40-I221 HydrophobicContact CD1-CG1 4.22Å; L40-I221 HydrophobicContact CG-CD1 4.02Å; L40-I221 HydrophobicContact CG-CG1 4.2Å; L40-I251 HydrophobicContact CD1-CD1 4.46Å; L40-I251 HydrophobicContact CD2-CD1 3.91Å
41N87.4Confident90.7Very high66 Ų6663.6 Ų63.635%0.35333%0.332SS..  trans-83.7132.9176.9-67-26.9000110.7R39 G43 S44 Y47R39-N41 PolarHBondContact O-N 3.1Å; N41-G43 PolarHBondContact O-N 2.72Å; N41-S44 WeakPolarHBondContact O-CB 3.1Å; N41-S44 PolarHBondContact O-N 2.74Å; N41-S44 PolarHBondContact O-OG 2.73Å; N41-S44 VanDerWaalsContact O-OG 3.09Å; N41-Y47 WeakPolarHBondContact O-CB 3.26Å
42Q89.6Confident90.8Very high133 Ų13362.1 Ų62.162%0.62133%0.331SS*.THydrogen-bonded Turntrans-52.6129.6173-66.4-175.7-12.800110.8Y47 H99Q42-Y47 HydrophobicContact CG-CE1 4.34Å; Q42-Y47 HydrophobicContact CG-CE2 4.19Å; Q42-H99 PolarHBondContact NE2-CD2 3.17Å; Q42-H99 PolarHBondContact NE2-CE1 3.46Å; Q42-H99 PolarHBondContact NE2-NE2 3.33Å
43G87.3Confident90.8Very high81 Ų8159.3 Ų59.384%0.83532%0.319SS*.THydrogen-bonded Turntrans88-5.3-177.400000115.4N41N41-G43 PolarHBondContact O-N 2.72Å
44S89Confident90.9Very high21 Ų2159.2 Ų59.215%0.14732%0.324CS..SBendtrans-77.2155.4169.683.40000111.5R39 N41 L46 Y47 S48R39-S44 PolarHBondContact O-OG 2.92Å; N41-S44 WeakPolarHBondContact O-CB 3.1Å; N41-S44 PolarHBondContact O-N 2.74Å; N41-S44 PolarHBondContact O-OG 2.73Å; N41-S44 VanDerWaalsContact O-OG 3.09Å; S44-L46 VanDerWaalsContact C-N 3.29Å; S44-L46 PolarHBondContact O-N 2.92Å; S44-Y47 PolarHBondContact O-N 3.21Å; S44-Y47 WeakPolarHBondContact OG-CB 3.44Å; S44-Y47 PolarHBondContact OG-N 2.95Å; S44-Y47 VanDerWaalsContact OG-N 3.08Å; S44-S48 PolarHBondContact O-N 3.05Å; S44-S48 VanDerWaalsContact O-N 3.16Å
45T87.6Confident90.9Very high99 Ų9959.1 Ų59.161%0.60732%0.324SS*.Hα-helixtrans-61.8-37.9174.4-53.20000111.9Y47 S48 E49T45-Y47 VanDerWaalsContact C-N 3.31Å; T45-Y47 PolarHBondContact O-N 3.4Å; T45-S48 WeakPolarHBondContact CA-OG 3.44Å; T45-S48 PolarHBondContact O-N 2.98Å; T45-S48 PolarHBondContact O-OG 3.34Å; T45-E49 WeakPolarHBondContact O-CG 3.31Å; T45-E49 PolarHBondContact O-N 2.85Å
46L90.1Very high91.1Very high40 Ų4060.8 Ų60.821%0.20934%0.336CS..Hα-helixtrans-63.4-39.3176.6-178.361.7000111.3L40 S44 E49 W50 I221 I251L40-L46 HydrophobicContact CD2-CD2 4.39Å; L40-L46 HydrophobicContact CD2-CG 4.06Å; S44-L46 VanDerWaalsContact C-N 3.29Å; S44-L46 PolarHBondContact O-N 2.92Å; L46-E49 PolarHBondContact O-N 2.89Å; L46-W50 VanDerWaalsContact O-CB 3.23Å; L46-W50 WeakPolarHBondContact O-CB 3.39Å; L46-W50 PolarHBondContact O-N 2.53Å; L46-I221 HydrophobicContact CD2-CD1 4.03Å; L46-I251 HydrophobicContact CD1-CD1 4.17Å
47Y92.9Very high91.5Very high26 Ų2654.8 Ų54.810%0.10231%0.31CS..Hα-helixtrans-64.7-41.5177.2-176-89.9000111.9L40 N41 Q42 S44 T45 W50 L51 H99 I104L40-Y47 HydrophobicContact CB-CD2 4.47Å; N41-Y47 WeakPolarHBondContact O-CB 3.26Å; Q42-Y47 HydrophobicContact CG-CE1 4.34Å; Q42-Y47 HydrophobicContact CG-CE2 4.19Å; S44-Y47 PolarHBondContact O-N 3.21Å; S44-Y47 WeakPolarHBondContact OG-CB 3.44Å; S44-Y47 PolarHBondContact OG-N 2.95Å; S44-Y47 VanDerWaalsContact OG-N 3.08Å; T45-Y47 VanDerWaalsContact C-N 3.31Å; T45-Y47 PolarHBondContact O-N 3.4Å; Y47-W50 HydrophobicContact CD2-CE3 4.08Å; Y47-W50 HydrophobicContact CD2-CZ3 4.25Å; Y47-W50 AromaticContact CE2-CE3 4Å; Y47-W50 HydrophobicContact CE2-CE3 4Å; Y47-W50 AromaticContact CE2-CZ3 3.7Å; Y47-W50 HydrophobicContact CE2-CZ3 3.7Å; Y47-W50 PolarHBondContact O-N 3.35Å; Y47-L51 HydrophobicContact CE1-CD2 4.39Å; Y47-L51 WeakPolarHBondContact O-CB 3.29Å; Y47-L51 PolarHBondContact O-N 3.03Å; Y47-H99 AromaticContact CE2-CE1 3.59Å; Y47-H99 AromaticContact CE2-NE2 3.94Å; Y47-H99 AromaticContact CZ-CE1 3.94Å; Y47-H99 AromaticContact CZ-NE2 3.87Å; Y47-H99 PolarHBondContact OH-NE2 3Å; Y47-I104 HydrophobicContact CE2-CD1 4.38Å
48S93.4Very high92Very high56 Ų5652 Ų5239%0.39230%0.297SS..Hα-helixtrans-65.6-41.8176.351.60000112.8S44 T45 L51 Q52S44-S48 PolarHBondContact O-N 3.05Å; S44-S48 VanDerWaalsContact O-N 3.16Å; T45-S48 WeakPolarHBondContact CA-OG 3.44Å; T45-S48 PolarHBondContact O-N 2.98Å; T45-S48 PolarHBondContact O-OG 3.34Å; S48-L51 PolarHBondContact O-N 3.41Å; S48-Q52 PolarHBondContact O-N 3.49Å
49E91.7Very high92.4Very high67 Ų6751.8 Ų51.831%0.31330%0.295SS..Hα-helixtrans-69.2-35.4176.9-68.8-59.2144.900112.2T45 L46 Q52 P53 S54T45-E49 WeakPolarHBondContact O-CG 3.31Å; T45-E49 PolarHBondContact O-N 2.85Å; L46-E49 PolarHBondContact O-N 2.89Å; E49-Q52 CarbonylContact O-C 3.43Å; E49-P53 WeakPolarHBondContact O-CA 3.21Å; E49-P53 WeakPolarHBondContact O-CD 3.32Å; E49-P53 WeakPolarHBondContact O-CG 3.32Å; E49-S54 VanDerWaalsContact CD-OG 3.23Å; E49-S54 PolarHBondContact OE1-OG 2.97Å; E49-S54 VanDerWaalsContact OE1-OG 3.06Å; E49-S54 WeakPolarHBondContact OE2-CB 3.35Å; E49-S54 PolarHBondContact OE2-N 3.32Å; E49-S54 PolarHBondContact OE2-OG 3.33Å
50W93.5Very high92.8Very high10 Ų1049.3 Ų49.34%0.03829%0.287CS..Hα-helixtrans-66.2-42173.717076.9000112.4L40 L46 Y47 K94 I97 I104 Y106 I211 I251L40-W50 HydrophobicContact CD1-CD2 4.42Å; L40-W50 HydrophobicContact CD1-CG 4.45Å; L40-W50 HydrophobicContact CD2-CB 3.7Å; L40-W50 HydrophobicContact CD2-CD2 4.06Å; L40-W50 HydrophobicContact CD2-CE3 4.46Å; L40-W50 HydrophobicContact CD2-CG 3.72Å; L46-W50 VanDerWaalsContact O-CB 3.23Å; L46-W50 WeakPolarHBondContact O-CB 3.39Å; L46-W50 PolarHBondContact O-N 2.53Å; Y47-W50 HydrophobicContact CD2-CE3 4.08Å; Y47-W50 HydrophobicContact CD2-CZ3 4.25Å; Y47-W50 AromaticContact CE2-CE3 4Å; Y47-W50 HydrophobicContact CE2-CE3 4Å; Y47-W50 AromaticContact CE2-CZ3 3.7Å; Y47-W50 HydrophobicContact CE2-CZ3 3.7Å; Y47-W50 PolarHBondContact O-N 3.35Å; W50-K94 HydrophobicContact CD2-CD 3.93Å; W50-K94 VanDerWaalsContact CE2-CD 3.43Å; W50-K94 HydrophobicContact CE3-CD 4.38Å; W50-K94 HydrophobicContact CG-CD 4.48Å; W50-K94 HydrophobicContact CH2-CD 3.94Å; W50-K94 HydrophobicContact CZ2-CD 3.47Å; W50-K94 VanDerWaalsContact CZ2-CD 3.47Å; W50-K94 HydrophobicContact CZ3-CD 4.38Å; W50-K94 WeakPolarHBondContact O-CD 3.34Å; W50-K94 PolarHBondContact O-NZ 2.78Å; W50-I97 HydrophobicContact CH2-CD1 4.46Å; W50-I97 HydrophobicContact CZ3-CD1 4.19Å; W50-I104 HydrophobicContact CH2-CG2 3.57Å; W50-I104 HydrophobicContact CZ2-CG2 4.22Å; W50-I104 HydrophobicContact CZ3-CG2 4.36Å; W50-Y106 AromaticContact CH2-CD1 3.94Å; W50-Y106 HydrophobicContact CH2-CD1 3.94Å; W50-Y106 HydrophobicContact CH2-CE1 4.41Å; W50-Y106 HydrophobicContact CH2-CG 4.22Å; W50-Y106 AromaticContact CZ2-CD1 3.54Å; W50-Y106 HydrophobicContact CZ2-CD1 3.54Å; W50-Y106 AromaticContact CZ2-CE1 3.56Å; W50-Y106 HydrophobicContact CZ2-CE1 3.56Å; W50-Y106 HydrophobicContact CZ2-CG 4.06Å; W50-I211 HydrophobicContact CZ2-CD1 3.69Å; W50-I251 HydrophobicContact CB-CD1 3.91Å; W50-I251 VanDerWaalsContact CD1-CD1 3.49Å; W50-I251 HydrophobicContact CG-CD1 3.95Å
51L94.9Very high93.1Very high53 Ų5349.2 Ų49.228%0.27729%0.287SS..Hα-helixtrans-63-48.9-179.9176.664.4000111.5Y47 S48 K94 I97Y47-L51 HydrophobicContact CE1-CD2 4.39Å; Y47-L51 WeakPolarHBondContact O-CB 3.29Å; Y47-L51 PolarHBondContact O-N 3.03Å; S48-L51 PolarHBondContact O-N 3.41Å; L51-K94 HydrophobicContact CD1-CB 4.21Å; L51-K94 VanDerWaalsContact CD1-O 3.26Å; L51-K94 WeakPolarHBondContact CD1-O 3.38Å; L51-K94 PolarHBondContact O-N 3.35Å; L51-I97 HydrophobicContact CD1-CD1 3.17Å
52Q95Very high93.6Very high103 Ų10347.8 Ų47.848%0.48128%0.277SS..SBendtrans-148.195.6178.7-173-178.8-32.800109S48 E49 S54S48-Q52 PolarHBondContact O-N 3.49Å; E49-Q52 CarbonylContact O-C 3.43Å; Q52-S54 PolarHBondContact O-N 2.85Å
53P93.5Very high94.1Very high41 Ų4141.5 Ų41.527%0.26625%0.247SC..  trans-56.2129.5-178.6-25.833.3000111.9E49E49-P53 WeakPolarHBondContact O-CA 3.21Å; E49-P53 WeakPolarHBondContact O-CD 3.32Å; E49-P53 WeakPolarHBondContact O-CG 3.32Å
54S92.3Very high94.6Very high72 Ų7237.7 Ų37.750%0.50321%0.208SC..  trans-81.1-22.8177.363.70000112.9E49 Q52E49-S54 VanDerWaalsContact CD-OG 3.23Å; E49-S54 PolarHBondContact OE1-OG 2.97Å; E49-S54 VanDerWaalsContact OE1-OG 3.06Å; E49-S54 WeakPolarHBondContact OE2-CB 3.35Å; E49-S54 PolarHBondContact OE2-N 3.32Å; E49-S54 PolarHBondContact OE2-OG 3.33Å; Q52-S54 PolarHBondContact O-N 2.85Å
55V92.8Very high95Very high11 Ų1138 Ų387%0.06721%0.208CC..SBendtrans-78.2136.5-177.2179.20000109.9I57 V413 Q414 L415 L419V55-I57 PolarHBondContact O-N 3.32Å; V55-V413 HydrophobicContact CB-CG2 4.42Å; V55-V413 HydrophobicContact CG1-CG2 3.7Å; V55-Q414 WeakPolarHBondContact CG1-O 3.46Å; V55-L415 HydrophobicContact CB-CD2 4.43Å; V55-L415 HydrophobicContact CG1-CD2 4.26Å; V55-L415 HydrophobicContact CG2-CD2 3.6Å; V55-L419 HydrophobicContact CG2-CD1 3.69Å
56P93.7Very high95.6Very high50 Ų5033.4 Ų33.433%0.32518%0.179SC..  trans-65.4129.9178.928.1-36.4000111.8F58 Y89P56-F58 HydrophobicContact CB-CD2 4.5Å; P56-F58 HydrophobicContact CB-CE2 3.74Å; P56-F58 HydrophobicContact CB-CZ 3.96Å; P56-F58 HydrophobicContact CG-CE2 4.13Å; P56-Y89 HydrophobicContact CB-CD2 4.12Å; P56-Y89 HydrophobicContact CB-CE2 3.62Å
57I96.9Very high95.9Very high14 Ų1435.2 Ų35.27%0.07219%0.192CC..EExtended strand (participates in β ladder)trans-106.3132.2170.2-55.8173.9000106.6V55 E90 R92 E411 S412 V413V55-I57 PolarHBondContact O-N 3.32Å; I57-E90 HydrophobicContact CB-CB 4.29Å; I57-E90 HydrophobicContact CG2-CB 4.18Å; I57-E90 PolarHBondContact O-N 3.07Å; I57-R92 HydrophobicContact CD1-CG 4.18Å; I57-E411 HydrophobicContact CG2-CG 4.31Å; I57-S412 WeakPolarHBondContact CA-O 3.44Å; I57-V413 HydrophobicContact CG1-CB 4.28Å; I57-V413 HydrophobicContact CG1-CG2 4.1Å
58F98.1Very high96.2Very high51 Ų5134.6 Ų34.622%0.22419%0.19CC..EExtended strand (participates in β ladder)trans-117.7133.4177.1-64.3-80000109.7P56 T87 Y88 Y89 L118 E411 S412P56-F58 HydrophobicContact CB-CD2 4.5Å; P56-F58 HydrophobicContact CB-CE2 3.74Å; P56-F58 HydrophobicContact CB-CZ 3.96Å; P56-F58 HydrophobicContact CG-CE2 4.13Å; F58-T87 HydrophobicContact CB-CG2 4.29Å; F58-T87 HydrophobicContact CD1-CG2 3.85Å; F58-T87 HydrophobicContact CG-CG2 4.42Å; F58-Y88 WeakPolarHBondContact CA-O 3.46Å; F58-Y89 HydrophobicContact CE1-CD2 4.18Å; F58-L118 HydrophobicContact CD1-CD1 4.09Å; F58-L118 HydrophobicContact CE1-CD1 3.61Å; F58-L118 HydrophobicContact CZ-CD1 3.97Å; F58-E411 CarbonylContact O-C 3.57Å; F58-E411 WeakPolarHBondContact O-CA 3.41Å; F58-S412 PolarHBondContact N-O 3.3Å; F58-S412 PolarHBondContact O-N 2.94Å; F58-S412 PolarHBondContact O-OG 2.96Å
59I98.2Very high96.3Very high4 Ų433.4 Ų33.42%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-109.9125.1167.9-169.3167.7000108.4F61 Y88 Y112 F198 I409I59-F61 HydrophobicContact CD1-CE1 3.97Å; I59-F61 HydrophobicContact CD1-CE2 4.44Å; I59-F61 HydrophobicContact CD1-CZ 3.62Å; I59-F61 HydrophobicContact CG1-CE1 4.14Å; I59-F61 HydrophobicContact CG1-CE2 4.18Å; I59-F61 HydrophobicContact CG1-CZ 3.78Å; I59-F61 HydrophobicContact CG2-CE2 3.93Å; I59-F61 HydrophobicContact CG2-CZ 4.12Å; I59-Y88 PolarHBondContact N-O 2.92Å; I59-Y88 PolarHBondContact O-N 3.34Å; I59-Y112 HydrophobicContact CD1-CE1 4.18Å; I59-Y112 HydrophobicContact CG2-CD1 3.58Å; I59-Y112 HydrophobicContact CG2-CE1 3.81Å; I59-F198 HydrophobicContact CD1-CE1 3.89Å; I59-F198 HydrophobicContact CD1-CZ 4.13Å; I59-I409 HydrophobicContact CD1-CG2 3.75Å; I59-I409 HydrophobicContact CG1-CG2 3.55Å
60Q98.6Very high96.5Very high35 Ų3534 Ų3416%0.16419%0.193CC..EExtended strand (participates in β ladder)trans-116.8125.8-177.3-55.5-178.1-58.600109.1Y62 P85 T87 I409 N410Q60-Y62 HydrophobicContact CB-CE2 3.8Å; Q60-P85 HydrophobicContact CB-CB 3.96Å; Q60-P85 HydrophobicContact CG-CB 4.37Å; Q60-T87 HydrophobicContact CG-CG2 4.07Å; Q60-T87 PolarHBondContact NE2-OG1 3Å; Q60-I409 CarbonylContact O-C 3.56Å; Q60-I409 WeakPolarHBondContact O-CA 3.15Å; Q60-N410 HydrophobicContact CB-CB 4.31Å; Q60-N410 PolarHBondContact N-O 2.95Å; Q60-N410 PolarHBondContact O-N 3.31Å; Q60-N410 PolarHBondContact OE1-ND2 3.35Å
61F98.6Very high96.6Very high0 Ų038.1 Ų38.10%021%0.213CC..EExtended strand (participates in β ladder)trans-102135.1177.4-57.2-79.2000110.5I59 F63 P85 Y86 Y88 L173 F198 M407 I409I59-F61 HydrophobicContact CD1-CE1 3.97Å; I59-F61 HydrophobicContact CD1-CE2 4.44Å; I59-F61 HydrophobicContact CD1-CZ 3.62Å; I59-F61 HydrophobicContact CG1-CE1 4.14Å; I59-F61 HydrophobicContact CG1-CE2 4.18Å; I59-F61 HydrophobicContact CG1-CZ 3.78Å; I59-F61 HydrophobicContact CG2-CE2 3.93Å; I59-F61 HydrophobicContact CG2-CZ 4.12Å; F61-F63 HydrophobicContact CB-CD2 4.37Å; F61-F63 HydrophobicContact CB-CE2 3.84Å; F61-P85 WeakPolarHBondContact O-CA 3.29Å; F61-Y86 PolarHBondContact N-O 2.76Å; F61-Y86 PolarHBondContact O-N 2.99Å; F61-Y88 AromaticContact CD2-CD2 3.67Å; F61-Y88 HydrophobicContact CD2-CD2 3.67Å; F61-Y88 AromaticContact CD2-CE2 3.7Å; F61-Y88 HydrophobicContact CD2-CE2 3.7Å; F61-Y88 AromaticContact CE2-CD2 3.55Å; F61-Y88 HydrophobicContact CE2-CD2 3.55Å; F61-Y88 AromaticContact CE2-CE2 3.81Å; F61-Y88 HydrophobicContact CE2-CE2 3.81Å; F61-Y88 HydrophobicContact CE2-CG 4.39Å; F61-L173 HydrophobicContact CD1-CD2 3.69Å; F61-L173 HydrophobicContact CD2-CD1 3.66Å; F61-L173 HydrophobicContact CD2-CD2 4.12Å; F61-L173 HydrophobicContact CE1-CD2 3.79Å; F61-L173 HydrophobicContact CE2-CD1 3.88Å; F61-L173 HydrophobicContact CE2-CD2 4.2Å; F61-L173 HydrophobicContact CG-CD1 4.09Å; F61-L173 HydrophobicContact CG-CD2 3.86Å; F61-L173 HydrophobicContact CZ-CD1 4.5Å; F61-L173 HydrophobicContact CZ-CD2 4.04Å; F61-F198 HydrophobicContact CE1-CD2 4.01Å; F61-F198 HydrophobicContact CE1-CE1 4.11Å; F61-F198 AromaticContact CE1-CE2 3.6Å; F61-F198 HydrophobicContact CE1-CE2 3.6Å; F61-F198 HydrophobicContact CE1-CG 4.47Å; F61-F198 AromaticContact CE1-CZ 3.65Å; F61-F198 HydrophobicContact CE1-CZ 3.65Å; F61-F198 HydrophobicContact CZ-CD1 4.28Å; F61-F198 HydrophobicContact CZ-CD2 4.44Å; F61-F198 HydrophobicContact CZ-CE1 4.09Å; F61-F198 HydrophobicContact CZ-CE2 4.29Å; F61-F198 HydrophobicContact CZ-CG 4.46Å; F61-F198 HydrophobicContact CZ-CZ 4.11Å; F61-M407 HydrophobicContact CD1-CE 4.01Å; F61-M407 HydrophobicContact CD1-SD 3.85Å; F61-M407 HydrophobicContact CE1-CE 4.2Å; F61-I409 HydrophobicContact CD1-CG1 3.83Å; F61-I409 HydrophobicContact CD1-CG2 4.44Å; F61-I409 HydrophobicContact CE1-CG1 3.96Å; F61-I409 HydrophobicContact CE1-CG2 4.25Å
62Y98.6Very high96.6Very high37 Ų3735.6 Ų35.615%0.14520%0.199CC..EExtended strand (participates in β ladder)trans-125.9108.6175.8-62.6-97.7000108.4Q60 Q82 L83 P85 M407 F408 N410Q60-Y62 HydrophobicContact CB-CE2 3.8Å; Y62-Q82 HydrophobicContact CD1-CG 4.39Å; Y62-L83 CarbonylContact C-O 3.56Å; Y62-L83 VanDerWaalsContact CA-O 3.31Å; Y62-L83 WeakPolarHBondContact CA-O 3.47Å; Y62-P85 HydrophobicContact CD1-CB 4.44Å; Y62-P85 HydrophobicContact CE1-CB 3.78Å; Y62-P85 HydrophobicContact CE1-CG 4.25Å; Y62-P85 HydrophobicContact CE2-CB 4.14Å; Y62-M407 CarbonylContact O-C 3.33Å; Y62-M407 WeakPolarHBondContact O-CA 3.38Å; Y62-M407 VanDerWaalsContact O-CB 3.23Å; Y62-M407 WeakPolarHBondContact O-CB 3.35Å; Y62-F408 HydrophobicContact CD1-CE1 4.22Å; Y62-F408 HydrophobicContact CD1-CE2 4.28Å; Y62-F408 AromaticContact CD1-CZ 3.67Å; Y62-F408 HydrophobicContact CD1-CZ 3.67Å; Y62-F408 AromaticContact CD2-CD2 3.73Å; Y62-F408 HydrophobicContact CD2-CD2 3.73Å; Y62-F408 HydrophobicContact CD2-CE1 4.16Å; Y62-F408 AromaticContact CD2-CE2 3.12Å; Y62-F408 HydrophobicContact CD2-CE2 3.12Å; Y62-F408 HydrophobicContact CD2-CG 4.44Å; Y62-F408 AromaticContact CD2-CZ 3.38Å; Y62-F408 HydrophobicContact CD2-CZ 3.38Å; Y62-F408 HydrophobicContact CE1-CZ 4.19Å; Y62-F408 HydrophobicContact CE2-CD2 4.43Å; Y62-F408 AromaticContact CE2-CE2 3.58Å; Y62-F408 HydrophobicContact CE2-CE2 3.58Å; Y62-F408 AromaticContact CE2-CZ 3.95Å; Y62-F408 HydrophobicContact CE2-CZ 3.95Å; Y62-F408 HydrophobicContact CG-CD1 4.31Å; Y62-F408 HydrophobicContact CG-CD2 4.2Å; Y62-F408 AromaticContact CG-CE1 3.66Å; Y62-F408 HydrophobicContact CG-CE1 3.66Å; Y62-F408 AromaticContact CG-CE2 3.52Å; Y62-F408 HydrophobicContact CG-CE2 3.52Å; Y62-F408 AromaticContact CG-CZ 3.2Å; Y62-F408 HydrophobicContact CG-CZ 3.2Å; Y62-F408 PolarHBondContact N-O 3.44Å; Y62-F408 PolarHBondContact O-N 2.89Å; Y62-N410 HydrophobicContact CE2-CB 4.18Å
63F98.6Very high96.6Very high1 Ų133 Ų330%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-89.9151-176.7-75-89.4000111.7F61 Q82 L83 Y86 I127 V169 L172 L173 L197 M407F61-F63 HydrophobicContact CB-CD2 4.37Å; F61-F63 HydrophobicContact CB-CE2 3.84Å; F63-Q82 CarbonylContact O-C 3.55Å; F63-Q82 VanDerWaalsContact O-CA 3.31Å; F63-Q82 WeakPolarHBondContact O-CA 3.37Å; F63-L83 PolarHBondContact N-O 3.28Å; F63-L83 PolarHBondContact O-N 3.33Å; F63-Y86 AromaticContact CD2-CD2 3.88Å; F63-Y86 HydrophobicContact CD2-CD2 3.88Å; F63-Y86 HydrophobicContact CD2-CE2 4.07Å; F63-Y86 HydrophobicContact CE2-CD2 4.28Å; F63-I127 HydrophobicContact CB-CD1 3.46Å; F63-I127 VanDerWaalsContact CB-CD1 3.46Å; F63-I127 HydrophobicContact CB-CG1 4.01Å; F63-I127 HydrophobicContact CB-CG2 4.31Å; F63-I127 HydrophobicContact CD1-CD1 3.61Å; F63-I127 HydrophobicContact CD2-CD1 3.54Å; F63-I127 HydrophobicContact CE1-CD1 4.18Å; F63-I127 HydrophobicContact CE2-CD1 4.13Å; F63-I127 HydrophobicContact CG-CD1 3.24Å; F63-I127 HydrophobicContact CG-CG1 4.3Å; F63-I127 HydrophobicContact CZ-CD1 4.41Å; F63-V169 HydrophobicContact CD2-CG2 4.44Å; F63-V169 HydrophobicContact CE2-CG1 3.96Å; F63-V169 HydrophobicContact CE2-CG2 4.37Å; F63-L172 HydrophobicContact CD1-CD1 4.26Å; F63-L172 HydrophobicContact CE1-CB 4.03Å; F63-L172 HydrophobicContact CE1-CD1 4.05Å; F63-L172 HydrophobicContact CZ-CB 4.31Å; F63-L173 HydrophobicContact CE2-CD1 4.45Å; F63-L173 HydrophobicContact CE2-CD2 4.28Å; F63-L173 HydrophobicContact CE2-CG 4.29Å; F63-L173 HydrophobicContact CZ-CD1 4.44Å; F63-L173 HydrophobicContact CZ-CD2 3.66Å; F63-L173 HydrophobicContact CZ-CG 3.79Å; F63-L197 HydrophobicContact CE1-CD1 3.9Å; F63-M407 HydrophobicContact CD1-CB 3.8Å; F63-M407 HydrophobicContact CD1-SD 4.33Å; F63-M407 HydrophobicContact CE1-CB 4.09Å; F63-M407 HydrophobicContact CE1-CG 4.38Å; F63-M407 HydrophobicContact CE1-SD 3.67Å; F63-M407 HydrophobicContact CE2-SD 4.35Å; F63-M407 HydrophobicContact CG-CB 4.17Å; F63-M407 HydrophobicContact CZ-SD 3.68Å
64F98.6Very high96.6Very high1 Ų135 Ų350%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-104100.4172.7-67.5-70.8000109.4V80 Q82 H340 M355 Q382 P405 I406 F408F64-V80 HydrophobicContact CB-CB 3.97Å; F64-V80 HydrophobicContact CB-CG1 4.3Å; F64-V80 HydrophobicContact CB-CG2 4.12Å; F64-V80 HydrophobicContact CD1-CB 4.4Å; F64-V80 HydrophobicContact CD1-CG2 3.78Å; F64-V80 HydrophobicContact CG-CG2 4.25Å; F64-Q82 HydrophobicContact CD1-CB 4.41Å; F64-Q82 HydrophobicContact CE1-CB 4.27Å; F64-H340 AromaticContact CE1-CE1 3.64Å; F64-H340 AromaticContact CE1-NE2 3.94Å; F64-H340 AromaticContact CZ-CE1 3.92Å; F64-H340 AromaticContact CZ-NE2 3.81Å; F64-M355 HydrophobicContact CD1-CE 3.7Å; F64-M355 HydrophobicContact CE1-CE 3.46Å; F64-M355 VanDerWaalsContact CE1-CE 3.46Å; F64-M355 HydrophobicContact CG-CE 4.44Å; F64-M355 HydrophobicContact CZ-CE 4Å; F64-Q382 HydrophobicContact CE2-CG 4.31Å; F64-Q382 VanDerWaalsContact CE2-OE1 3.32Å; F64-P405 HydrophobicContact CB-CG 4.39Å; F64-P405 WeakPolarHBondContact CB-O 3.35Å; F64-P405 HydrophobicContact CD2-CB 3.57Å; F64-P405 HydrophobicContact CD2-CG 4.17Å; F64-P405 HydrophobicContact CE2-CB 3.85Å; F64-P405 HydrophobicContact CG-CB 4.06Å; F64-P405 HydrophobicContact CG-CG 4.16Å; F64-I406 PolarHBondContact N-O 3.39Å; F64-F408 AromaticContact CE2-CD1 3.93Å; F64-F408 HydrophobicContact CE2-CD1 3.93Å; F64-F408 AromaticContact CZ-CD1 3.71Å; F64-F408 HydrophobicContact CZ-CD1 3.71Å; F64-F408 HydrophobicContact CZ-CE1 4.24Å
65N98.5Very high96.7Very high27 Ų2733.1 Ų33.114%0.14420%0.195CC..EExtended strand (participates in β ladder)trans-77.6119.2177.5-176.255.1000110.4T67 V80 Q81 L83 T128N65-T67 PolarHBondContact O-N 2.86Å; N65-V80 CarbonylContact O-C 3.5Å; N65-V80 VanDerWaalsContact O-CA 3.26Å; N65-V80 WeakPolarHBondContact O-CA 3.46Å; N65-Q81 PolarHBondContact N-O 2.86Å; N65-Q81 PolarHBondContact O-N 2.78Å; N65-L83 HydrophobicContact CB-CD1 3.69Å; N65-L83 HydrophobicContact CB-CG 4.02Å; N65-T128 PolarHBondContact OD1-N 3.14Å
66L98.3Very high96.8Very high3 Ų338.1 Ų38.12%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-76.7117.5178.6-17866.1000110.3P69 F72 P78 V80 T128 F164L66-P69 HydrophobicContact CD2-CB 3.98Å; L66-P69 HydrophobicContact CG-CB 4.45Å; L66-F72 HydrophobicContact CD2-CD1 4.14Å; L66-P78 HydrophobicContact CD1-CB 3.72Å; L66-V80 HydrophobicContact CD1-CG1 4.25Å; L66-T128 WeakPolarHBondContact CB-O 3.42Å; L66-T128 PolarHBondContact N-O 2.89Å; L66-F164 HydrophobicContact CD2-CD1 3.59Å; L66-F164 HydrophobicContact CD2-CE1 3.46Å; L66-F164 VanDerWaalsContact CD2-CE1 3.46Å; L66-F164 HydrophobicContact CD2-CZ 4.44Å
67T98.2Very high96.9Very high77 Ų7738.8 Ų38.847%0.47222%0.215SC..SBendtrans-96.2-13.2-172.7610000114.2N65 P69 H79 Q81N65-T67 PolarHBondContact O-N 2.86Å; T67-P69 VanDerWaalsContact C-CD 3.49Å; T67-H79 PolarHBondContact N-O 3.39Å; T67-H79 WeakPolarHBondContact OG1-CB 3.37Å; T67-H79 PolarHBondContact OG1-O 3.24Å; T67-Q81 HydrophobicContact CG2-CB 4.05Å
68N97.3Very high97Very high13 Ų1338.1 Ų38.17%0.0721%0.211CC..  trans-132.353.7-177.673.4-38.8000113.3S70 E71 F72 K77 H79N68-S70 PolarHBondContact O-N 2.88Å; N68-E71 VanDerWaalsContact C-OE2 3.31Å; N68-E71 WeakPolarHBondContact CA-OE2 3.37Å; N68-E71 HydrophobicContact CB-CB 4.24Å; N68-E71 WeakPolarHBondContact CB-OE2 3.44Å; N68-E71 PolarHBondContact O-N 2.92Å; N68-F72 WeakPolarHBondContact O-CB 3.05Å; N68-F72 PolarHBondContact O-N 3.46Å; N68-K77 PolarHBondContact ND2-O 3Å; N68-H79 PolarHBondContact ND2-ND1 2.77Å; N68-H79 WeakPolarHBondContact OD1-CB 3.4Å; N68-H79 PolarHBondContact OD1-N 3.19Å
69P96.5Very high97Very high32 Ų3239.5 Ų39.521%0.20822%0.218CC..Hα-helixtrans-58.2-42.9-174.123.1-33.5000113.5L66 T67 F72 Q73 T128 F164L66-P69 HydrophobicContact CD2-CB 3.98Å; L66-P69 HydrophobicContact CG-CB 4.45Å; T67-P69 VanDerWaalsContact C-CD 3.49Å; P69-F72 PolarHBondContact O-N 2.63Å; P69-Q73 WeakPolarHBondContact O-CB 3.26Å; P69-Q73 PolarHBondContact O-N 3.46Å; P69-T128 HydrophobicContact CG-CG2 4.46Å; P69-F164 HydrophobicContact CB-CB 4.25Å; P69-F164 HydrophobicContact CB-CD1 3.95Å; P69-F164 HydrophobicContact CB-CD2 3.74Å; P69-F164 HydrophobicContact CB-CE1 4.22Å; P69-F164 HydrophobicContact CB-CE2 4.02Å; P69-F164 HydrophobicContact CB-CG 3.69Å; P69-F164 HydrophobicContact CB-CZ 4.25Å; P69-F164 VanDerWaalsContact O-CE2 3.27Å; P69-F164 WeakPolarHBondContact O-CE2 3.46Å; P69-F164 VanDerWaalsContact O-CZ 3.31Å; P69-F164 WeakPolarHBondContact O-CZ 3.26Å
70S94.9Very high97Very high79 Ų7939.9 Ų39.955%0.55222%0.221SC*.Hα-helixtrans-67.7-41.1-178.4-56.20000112.5N68 Q73 S74N68-S70 PolarHBondContact O-N 2.88Å; S70-Q73 PolarHBondContact O-N 3.15Å; S70-S74 WeakPolarHBondContact O-CB 3.37Å; S70-S74 PolarHBondContact O-N 3.36Å; S70-S74 PolarHBondContact O-OG 3.46Å
71E95.8Very high97Very high96 Ų9643.5 Ų43.545%0.44924%0.238SC..Hα-helixtrans-68-41.4176.3-62.78516700111N68 S74 G75 H76N68-E71 VanDerWaalsContact C-OE2 3.31Å; N68-E71 WeakPolarHBondContact CA-OE2 3.37Å; N68-E71 HydrophobicContact CB-CB 4.24Å; N68-E71 WeakPolarHBondContact CB-OE2 3.44Å; N68-E71 PolarHBondContact O-N 2.92Å; E71-S74 CarbonylContact O-C 3.54Å; E71-S74 WeakPolarHBondContact O-CA 3.48Å; E71-S74 WeakPolarHBondContact O-CB 3.41Å; E71-S74 PolarHBondContact O-N 3.02Å; E71-S74 VanDerWaalsContact O-N 3.13Å; E71-G75 PolarHBondContact O-N 2.99Å; E71-H76 HydrophobicContact CB-CB 4.17Å; E71-H76 VanDerWaalsContact O-CB 3.3Å; E71-H76 WeakPolarHBondContact O-CB 3Å; E71-H76 PolarHBondContact O-N 3.4Å; E71-H76 PolarHBondContact O-ND1 3.1Å; E71-H76 VanDerWaalsContact O-ND1 3.1Å
72F96.1Very high97Very high0 Ų047.2 Ų47.20%026%0.255CS..Hα-helixtrans-58.6-49.5174.4177.7-137.1000110.3L66 N68 P69 S74 G75 H76 P78 F164 V387 L399 L404L66-F72 HydrophobicContact CD2-CD1 4.14Å; N68-F72 WeakPolarHBondContact O-CB 3.05Å; N68-F72 PolarHBondContact O-N 3.46Å; P69-F72 PolarHBondContact O-N 2.63Å; F72-S74 PolarHBondContact O-N 3.27Å; F72-G75 WeakPolarHBondContact O-CA 3.37Å; F72-G75 PolarHBondContact O-N 2.85Å; F72-H76 WeakPolarHBondContact CD2-O 3.45Å; F72-P78 HydrophobicContact CB-CB 4.48Å; F72-P78 HydrophobicContact CD1-CB 4.22Å; F72-P78 HydrophobicContact CD2-CB 3.82Å; F72-P78 HydrophobicContact CD2-CG 4Å; F72-P78 HydrophobicContact CE1-CB 4.42Å; F72-P78 HydrophobicContact CE2-CB 4.04Å; F72-P78 HydrophobicContact CE2-CG 3.82Å; F72-P78 HydrophobicContact CG-CB 3.92Å; F72-P78 HydrophobicContact CZ-CB 4.33Å; F72-P78 HydrophobicContact CZ-CG 4.23Å; F72-F164 AromaticContact CD1-CE1 3.76Å; F72-F164 HydrophobicContact CD1-CE1 3.76Å; F72-F164 AromaticContact CD1-CZ 3.83Å; F72-F164 HydrophobicContact CD1-CZ 3.83Å; F72-F164 HydrophobicContact CE1-CE1 4.26Å; F72-V387 HydrophobicContact CZ-CG1 4.4Å; F72-L399 HydrophobicContact CD1-CD2 3.74Å; F72-L399 HydrophobicContact CD2-CD2 3.77Å; F72-L399 HydrophobicContact CE1-CD2 3.65Å; F72-L399 HydrophobicContact CE2-CD2 3.68Å; F72-L399 HydrophobicContact CG-CD2 3.8Å; F72-L399 HydrophobicContact CZ-CD2 3.63Å; F72-L399 VanDerWaalsContact O-CD2 3.26Å; F72-L399 WeakPolarHBondContact O-CD2 3.44Å; F72-L404 HydrophobicContact CE1-CD1 4.42Å; F72-L404 HydrophobicContact CE1-CD2 4.33Å
73Q94.7Very high97Very high50 Ų5047.4 Ų47.423%0.23426%0.258CS..Hα-helixtrans-57.6-31.3175.4-161.5170.416.400113.7P69 S70 G75 L163 F164 Q395 N398P69-Q73 WeakPolarHBondContact O-CB 3.26Å; P69-Q73 PolarHBondContact O-N 3.46Å; S70-Q73 PolarHBondContact O-N 3.15Å; Q73-G75 PolarHBondContact O-N 3.18Å; Q73-L163 HydrophobicContact CG-CD2 4.07Å; Q73-F164 HydrophobicContact CB-CE2 3.82Å; Q73-F164 HydrophobicContact CB-CZ 4.15Å; Q73-F164 HydrophobicContact CG-CE2 4.23Å; Q73-Q395 PolarHBondContact NE2-O 2.84Å; Q73-N398 VanDerWaalsContact O-CB 3.24Å; Q73-N398 WeakPolarHBondContact O-CB 3.44Å
74S93.7Very high96.9Very high81 Ų8148 Ų4857%0.56627%0.265SS*.THydrogen-bonded Turntrans-79.94176.1-55.20000113.6S70 E71 F72S70-S74 WeakPolarHBondContact O-CB 3.37Å; S70-S74 PolarHBondContact O-N 3.36Å; S70-S74 PolarHBondContact O-OG 3.46Å; E71-S74 CarbonylContact O-C 3.54Å; E71-S74 WeakPolarHBondContact O-CA 3.48Å; E71-S74 WeakPolarHBondContact O-CB 3.41Å; E71-S74 PolarHBondContact O-N 3.02Å; E71-S74 VanDerWaalsContact O-N 3.13Å; F72-S74 PolarHBondContact O-N 3.27Å
75G94Very high96.9Very high34 Ų3449.3 Ų49.335%0.35127%0.273SS..THydrogen-bonded Turntrans99.72.417500000115.5E71 F72 Q73 N398E71-G75 PolarHBondContact O-N 2.99Å; F72-G75 WeakPolarHBondContact O-CA 3.37Å; F72-G75 PolarHBondContact O-N 2.85Å; Q73-G75 PolarHBondContact O-N 3.18Å; G75-N398 WeakPolarHBondContact CA-O 3.28Å; G75-N398 PolarHBondContact N-O 3.2Å
76H95.6Very high96.9Very high116 Ų11648.3 Ų48.354%0.53727%0.267SS..PPolyproline II helixtrans-75.2171.6174.3-61.382.2000111.4E71 F72E71-H76 HydrophobicContact CB-CB 4.17Å; E71-H76 VanDerWaalsContact O-CB 3.3Å; E71-H76 WeakPolarHBondContact O-CB 3Å; E71-H76 PolarHBondContact O-N 3.4Å; E71-H76 PolarHBondContact O-ND1 3.1Å; E71-H76 VanDerWaalsContact O-ND1 3.1Å; F72-H76 WeakPolarHBondContact CD2-O 3.45Å
77K96.1Very high96.9Very high63 Ų6348.1 Ų48.127%0.27427%0.267SS..PPolyproline II helixtrans-71.8138.6175.9-167.6175.1165.1-168.30110.7N68 H79 N350 A351 V352 D353N68-K77 PolarHBondContact ND2-O 3Å; K77-H79 PolarHBondContact O-ND1 3.42Å; K77-N350 WeakPolarHBondContact CE-O 3.42Å; K77-N350 PolarHBondContact NZ-O 2.83Å; K77-A351 WeakPolarHBondContact CE-O 3.37Å; K77-A351 VanDerWaalsContact CG-O 3.29Å; K77-A351 WeakPolarHBondContact CG-O 3.46Å; K77-V352 VanDerWaalsContact CE-CA 3.46Å; K77-D353 VanDerWaalsContact CD-OD2 3.28Å; K77-D353 WeakPolarHBondContact CD-OD2 3.45Å; K77-D353 VanDerWaalsContact CE-CG 3.46Å; K77-D353 VanDerWaalsContact CE-N 3.27Å; K77-D353 VanDerWaalsContact CE-OD1 3.27Å; K77-D353 WeakPolarHBondContact CE-OD1 3.41Å; K77-D353 IonicContact NZ-OD1 3.75Å; K77-D353 PolarHBondContact NZ-OD1 2.8Å; K77-D353 IonicContact NZ-OD2 3.97Å
78P97.8Very high96.9Very high0 Ų044.6 Ų44.60%025%0.245CC..PPolyproline II helixtrans-71.6136.5174.128.5-32.8000110.9L66 F72 A351 V352 D353 T402 L404L66-P78 HydrophobicContact CD1-CB 3.72Å; F72-P78 HydrophobicContact CB-CB 4.48Å; F72-P78 HydrophobicContact CD1-CB 4.22Å; F72-P78 HydrophobicContact CD2-CB 3.82Å; F72-P78 HydrophobicContact CD2-CG 4Å; F72-P78 HydrophobicContact CE1-CB 4.42Å; F72-P78 HydrophobicContact CE2-CB 4.04Å; F72-P78 HydrophobicContact CE2-CG 3.82Å; F72-P78 HydrophobicContact CG-CB 3.92Å; F72-P78 HydrophobicContact CZ-CB 4.33Å; F72-P78 HydrophobicContact CZ-CG 4.23Å; P78-A351 WeakPolarHBondContact CD-O 3.4Å; P78-V352 HydrophobicContact CG-CB 4.41Å; P78-V352 HydrophobicContact CG-CG1 4.23Å; P78-V352 HydrophobicContact CG-CG2 4.03Å; P78-D353 PolarHBondContact O-N 2.99Å; P78-T402 HydrophobicContact CG-CG2 4.09Å; P78-L404 HydrophobicContact CB-CD1 3.78Å; P78-L404 HydrophobicContact CG-CD1 3.95Å
79H98.2Very high97Very high80 Ų8047.7 Ų47.737%0.3726%0.256SS..BIsolated β-bridgetrans-107.1122.5171.6-64.781.5000108.5T67 N68 K77 D353T67-H79 PolarHBondContact N-O 3.39Å; T67-H79 WeakPolarHBondContact OG1-CB 3.37Å; T67-H79 PolarHBondContact OG1-O 3.24Å; N68-H79 PolarHBondContact ND2-ND1 2.77Å; N68-H79 WeakPolarHBondContact OD1-CB 3.4Å; N68-H79 PolarHBondContact OD1-N 3.19Å; K77-H79 PolarHBondContact O-ND1 3.42Å; H79-D353 HydrophobicContact CB-CB 4.39Å; H79-D353 VanDerWaalsContact CD2-CB 3.41Å; H79-D353 WeakPolarHBondContact CD2-CB 3.43Å; H79-D353 IonicContact CD2-OD2 3.29Å; H79-D353 IonicContact CE1-OD2 2.61Å; H79-D353 IonicContact NE2-OD2 3.38Å; H79-D353 PolarHBondContact NE2-OD2 2.98Å
80V98.4Very high97Very high13 Ų1346.3 Ų46.38%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-119.3144.1177.9-57.30000111.7F64 N65 L66 V352 D353 M355 L404 P405F64-V80 HydrophobicContact CB-CB 3.97Å; F64-V80 HydrophobicContact CB-CG1 4.3Å; F64-V80 HydrophobicContact CB-CG2 4.12Å; F64-V80 HydrophobicContact CD1-CB 4.4Å; F64-V80 HydrophobicContact CD1-CG2 3.78Å; F64-V80 HydrophobicContact CG-CG2 4.25Å; N65-V80 CarbonylContact O-C 3.5Å; N65-V80 VanDerWaalsContact O-CA 3.26Å; N65-V80 WeakPolarHBondContact O-CA 3.46Å; L66-V80 HydrophobicContact CD1-CG1 4.25Å; V80-V352 HydrophobicContact CG1-CG1 4.05Å; V80-V352 HydrophobicContact CG2-CG1 3.77Å; V80-D353 WeakPolarHBondContact CG2-O 3.49Å; V80-D353 PolarHBondContact N-O 3.33Å; V80-M355 HydrophobicContact CG2-CE 3.34Å; V80-L404 HydrophobicContact CG1-CD1 4.45Å; V80-P405 HydrophobicContact CG2-CG 4.28Å
81Q98.3Very high97.1Very high110 Ų11046.2 Ų46.251%0.51424%0.236SC..EExtended strand (participates in β ladder)trans-112.4126.4172.1-177.3179.56.900109.2N65 T67 L83N65-Q81 PolarHBondContact N-O 2.86Å; N65-Q81 PolarHBondContact O-N 2.78Å; T67-Q81 HydrophobicContact CG2-CB 4.05Å; Q81-L83 HydrophobicContact CG-CD2 4.34Å; Q81-L83 PolarHBondContact O-N 3.32Å
82Q98.4Very high97.1Very high79 Ų7943.3 Ų43.337%0.36922%0.221SC..EExtended strand (participates in β ladder)trans-70.6127.9174.4-178.5-174.5-45.400110.6Y62 F63 F64 H340 F408Y62-Q82 HydrophobicContact CD1-CG 4.39Å; F63-Q82 CarbonylContact O-C 3.55Å; F63-Q82 VanDerWaalsContact O-CA 3.31Å; F63-Q82 WeakPolarHBondContact O-CA 3.37Å; F64-Q82 HydrophobicContact CD1-CB 4.41Å; F64-Q82 HydrophobicContact CE1-CB 4.27Å; Q82-H340 PolarHBondContact OE1-CE1 3.46Å; Q82-H340 PolarHBondContact OE1-NE2 3.01Å; Q82-F408 HydrophobicContact CG-CE1 4.29Å
83L98.3Very high97.1Very high41 Ų4144.1 Ų44.122%0.21523%0.228CC..EExtended strand (participates in β ladder)trans-118.7132.7173.1-58.4-177.1000109.8Y62 F63 N65 Q81 Y86 I127Y62-L83 CarbonylContact C-O 3.56Å; Y62-L83 VanDerWaalsContact CA-O 3.31Å; Y62-L83 WeakPolarHBondContact CA-O 3.47Å; F63-L83 PolarHBondContact N-O 3.28Å; F63-L83 PolarHBondContact O-N 3.33Å; N65-L83 HydrophobicContact CB-CD1 3.69Å; N65-L83 HydrophobicContact CB-CG 4.02Å; Q81-L83 HydrophobicContact CG-CD2 4.34Å; Q81-L83 PolarHBondContact O-N 3.32Å; L83-Y86 HydrophobicContact CB-CE2 4.27Å; L83-I127 HydrophobicContact CD1-CG1 4.22Å
84G97.2Very high97.2Very high13 Ų1342.4 Ų42.413%0.13422%0.22CC..EExtended strand (participates in β ladder)trans141.3-171.8179.700000113.4N120G84-N120 WeakPolarHBondContact O-CB 3.33Å; G84-N120 PolarHBondContact O-ND2 2.87Å
85P98.4Very high97.3Very high29 Ų2941.4 Ų41.419%0.18821%0.205CC..EExtended strand (participates in β ladder)cis-69.1148.8-0.327.6-33.4000112.8Q60 F61 Y62 S119 N120Q60-P85 HydrophobicContact CB-CB 3.96Å; Q60-P85 HydrophobicContact CG-CB 4.37Å; F61-P85 WeakPolarHBondContact O-CA 3.29Å; Y62-P85 HydrophobicContact CD1-CB 4.44Å; Y62-P85 HydrophobicContact CE1-CB 3.78Å; Y62-P85 HydrophobicContact CE1-CG 4.25Å; Y62-P85 HydrophobicContact CE2-CB 4.14Å; P85-S119 CarbonylContact O-C 3.56Å; P85-S119 VanDerWaalsContact O-CA 3.24Å; P85-S119 WeakPolarHBondContact O-CA 3.29Å; P85-N120 PolarHBondContact O-N 2.86Å
86Y98.7Very high97.4Very high5 Ų544 Ų442%0.0221%0.211CC..EExtended strand (participates in β ladder)trans-102.7102.7157.4-61.1-83.3000107.1F61 F63 L83 F114 T122 D125 V169F61-Y86 PolarHBondContact N-O 2.76Å; F61-Y86 PolarHBondContact O-N 2.99Å; F63-Y86 AromaticContact CD2-CD2 3.88Å; F63-Y86 HydrophobicContact CD2-CD2 3.88Å; F63-Y86 HydrophobicContact CD2-CE2 4.07Å; F63-Y86 HydrophobicContact CE2-CD2 4.28Å; L83-Y86 HydrophobicContact CB-CE2 4.27Å; Y86-F114 HydrophobicContact CD1-CE2 4.37Å; Y86-T122 WeakPolarHBondContact CE1-O 3.49Å; Y86-D125 HydrophobicContact CE1-CB 4.1Å; Y86-D125 WeakPolarHBondContact CE1-OD2 3.38Å; Y86-D125 WeakPolarHBondContact OH-CB 3.34Å; Y86-D125 PolarHBondContact OH-OD2 2.9Å; Y86-V169 HydrophobicContact CD1-CG1 4.1Å; Y86-V169 HydrophobicContact CD1-CG2 4.02Å; Y86-V169 HydrophobicContact CD2-CG1 4.35Å; Y86-V169 HydrophobicContact CD2-CG2 4.06Å; Y86-V169 HydrophobicContact CE1-CG2 3.7Å; Y86-V169 HydrophobicContact CE2-CG2 3.73Å; Y86-V169 HydrophobicContact CG-CG1 3.97Å; Y86-V169 HydrophobicContact CG-CG2 4.2Å
87T98.7Very high97.4Very high0 Ų040.8 Ų40.80%020%0.198CC..EExtended strand (participates in β ladder)trans-95.8131.4-168.8-60.40000110.6F58 Q60 F114 D115 L118 S119F58-T87 HydrophobicContact CB-CG2 4.29Å; F58-T87 HydrophobicContact CD1-CG2 3.85Å; F58-T87 HydrophobicContact CG-CG2 4.42Å; Q60-T87 HydrophobicContact CG-CG2 4.07Å; Q60-T87 PolarHBondContact NE2-OG1 3Å; T87-F114 WeakPolarHBondContact O-CD2 3.16Å; T87-D115 PolarHBondContact O-N 3.19Å; T87-L118 WeakPolarHBondContact CB-O 3.35Å; T87-L118 HydrophobicContact CG2-CB 3.73Å; T87-L118 HydrophobicContact CG2-CD1 4.21Å; T87-L118 PolarHBondContact OG1-O 2.91Å; T87-S119 PolarHBondContact N-OG 3.42Å
88Y98.5Very high97.4Very high2 Ų240.4 Ų40.41%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-120.5136.2171-64.3-107.4000109.6F58 I59 F61 E90 Y113 F114 E123 L173 W174F58-Y88 WeakPolarHBondContact CA-O 3.46Å; I59-Y88 PolarHBondContact N-O 2.92Å; I59-Y88 PolarHBondContact O-N 3.34Å; F61-Y88 AromaticContact CD2-CD2 3.67Å; F61-Y88 HydrophobicContact CD2-CD2 3.67Å; F61-Y88 AromaticContact CD2-CE2 3.7Å; F61-Y88 HydrophobicContact CD2-CE2 3.7Å; F61-Y88 AromaticContact CE2-CD2 3.55Å; F61-Y88 HydrophobicContact CE2-CD2 3.55Å; F61-Y88 AromaticContact CE2-CE2 3.81Å; F61-Y88 HydrophobicContact CE2-CE2 3.81Å; F61-Y88 HydrophobicContact CE2-CG 4.39Å; Y88-E90 PolarHBondContact O-N 3.01Å; Y88-Y113 CarbonylContact C-O 3.51Å; Y88-Y113 VanDerWaalsContact CA-O 3.22Å; Y88-Y113 WeakPolarHBondContact CA-O 3.46Å; Y88-F114 VanDerWaalsContact CD1-CA 3.48Å; Y88-F114 HydrophobicContact CD1-CB 3.85Å; Y88-F114 HydrophobicContact CD1-CD2 4.28Å; Y88-F114 HydrophobicContact CD2-CD2 4.18Å; Y88-F114 HydrophobicContact CE1-CB 3.6Å; Y88-F114 AromaticContact CE1-CD2 3.87Å; Y88-F114 HydrophobicContact CE1-CD2 3.87Å; Y88-F114 HydrophobicContact CE1-CG 4.19Å; Y88-F114 AromaticContact CE2-CD2 3.78Å; Y88-F114 HydrophobicContact CE2-CD2 3.78Å; Y88-F114 HydrophobicContact CE2-CE2 4.39Å; Y88-F114 HydrophobicContact CG-CD2 4.42Å; Y88-F114 AromaticContact CZ-CD2 3.6Å; Y88-E123 VanDerWaalsContact CE1-OE1 3.28Å; Y88-E123 WeakPolarHBondContact CE1-OE1 3.26Å; Y88-E123 VanDerWaalsContact CZ-OE1 3.28Å; Y88-E123 VanDerWaalsContact OH-CD 3.3Å; Y88-E123 WeakPolarHBondContact OH-CG 3.39Å; Y88-E123 PolarHBondContact OH-OE1 3.02Å; Y88-L173 HydrophobicContact CE2-CD1 3.72Å; Y88-W174 AromaticContact CD1-CZ2 3.9Å; Y88-W174 HydrophobicContact CD1-CZ2 3.9Å; Y88-W174 AromaticContact CE1-CE2 3.98Å; Y88-W174 AromaticContact CE1-CZ2 3.58Å; Y88-W174 HydrophobicContact CE1-CZ2 3.58Å; Y88-W174 AromaticContact CE1-NE1 3.75Å; Y88-W174 HydrophobicContact CE2-CZ2 4.45Å; Y88-W174 HydrophobicContact CG-CZ2 4.48Å; Y88-W174 AromaticContact CZ-CZ2 3.89Å; Y88-W174 AromaticContact CZ-NE1 3.79Å; Y88-W174 PolarHBondContact OH-NE1 3.04Å
89Y97.9Very high97.3Very high78 Ų7843.6 Ų43.631%0.30622%0.218SC..EExtended strand (participates in β ladder)trans-72.5120163.1175.6-106000109P56 F58 K91 Y113P56-Y89 HydrophobicContact CB-CD2 4.12Å; P56-Y89 HydrophobicContact CB-CE2 3.62Å; F58-Y89 HydrophobicContact CE1-CD2 4.18Å; Y89-K91 HydrophobicContact CE1-CB 4.06Å; Y89-Y113 AromaticContact CD1-CD2 3.89Å; Y89-Y113 HydrophobicContact CD1-CD2 3.89Å; Y89-Y113 PolarHBondContact N-O 3.42Å; Y89-Y113 PolarHBondContact O-N 2.94Å
90E97.4Very high97Very high3 Ų345.6 Ų45.61%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-98.3116178.2-171.9-177.4157.500110.1I57 Y88 R92 K110 W111 Y112I57-E90 HydrophobicContact CB-CB 4.29Å; I57-E90 HydrophobicContact CG2-CB 4.18Å; I57-E90 PolarHBondContact O-N 3.07Å; Y88-E90 PolarHBondContact O-N 3.01Å; E90-R92 HydrophobicContact CG-CG 4.36Å; E90-R92 IonicContact OE1-CZ 3.89Å; E90-R92 IonicContact OE1-NE 3.59Å; E90-R92 PolarHBondContact OE1-NE 3.09Å; E90-R92 IonicContact OE1-NH2 2.64Å; E90-R92 PolarHBondContact OE1-NH2 3.02Å; E90-R92 IonicContact OE2-CZ 2.82Å; E90-R92 IonicContact OE2-NE 3.31Å; E90-R92 IonicContact OE2-NH2 3.16Å; E90-R92 PolarHBondContact OE2-NH2 3.38Å; E90-K110 WeakPolarHBondContact OE1-CD 3.27Å; E90-K110 VanDerWaalsContact OE1-CE 3.23Å; E90-K110 WeakPolarHBondContact OE1-CE 2.92Å; E90-K110 IonicContact OE1-NZ 2.72Å; E90-K110 PolarHBondContact OE1-NZ 3.07Å; E90-W111 CarbonylContact C-O 3.54Å; E90-W111 WeakPolarHBondContact CA-O 3.49Å; E90-Y112 HydrophobicContact CB-CD1 4.14Å; E90-Y112 HydrophobicContact CB-CE1 4.18Å; E90-Y112 HydrophobicContact CG-CD1 3.93Å; E90-Y112 HydrophobicContact CG-CE1 3.61Å
91K96.9Very high96.6Very high78 Ų7852.1 Ų52.134%0.33926%0.261SS..EExtended strand (participates in β ladder)trans-97.9132.4171.2-172178.7-178.5-178.90109.5Y89 K110 W111 Y113Y89-K91 HydrophobicContact CE1-CB 4.06Å; K91-K110 CarbonylContact O-C 3.55Å; K91-K110 WeakPolarHBondContact O-CA 3.29Å; K91-W111 HydrophobicContact CB-CB 4.36Å; K91-W111 HydrophobicContact CB-CE3 4.08Å; K91-W111 HydrophobicContact CD-CE3 4.19Å; K91-W111 HydrophobicContact CG-CE3 4.02Å; K91-W111 HydrophobicContact CG-CZ3 4.44Å; K91-W111 PolarHBondContact N-O 3.29Å; K91-W111 PolarHBondContact O-N 3.08Å; K91-Y113 HydrophobicContact CB-CE2 4.07Å
92R96.2Very high96.3Very high35 Ų3547.2 Ų47.213%0.13224%0.24CC..EExtended strand (participates in β ladder)trans-118.1144.5177.2-55-170.6176.7166.73.3111.2I57 E90 I109 K110 E411I57-R92 HydrophobicContact CD1-CG 4.18Å; E90-R92 HydrophobicContact CG-CG 4.36Å; E90-R92 IonicContact OE1-CZ 3.89Å; E90-R92 IonicContact OE1-NE 3.59Å; E90-R92 PolarHBondContact OE1-NE 3.09Å; E90-R92 IonicContact OE1-NH2 2.64Å; E90-R92 PolarHBondContact OE1-NH2 3.02Å; E90-R92 IonicContact OE2-CZ 2.82Å; E90-R92 IonicContact OE2-NE 3.31Å; E90-R92 IonicContact OE2-NH2 3.16Å; E90-R92 PolarHBondContact OE2-NH2 3.38Å; R92-I109 WeakPolarHBondContact CA-O 3.44Å; R92-K110 HydrophobicContact CG-CG 4.25Å; R92-K110 VanDerWaalsContact CZ-NZ 3.34Å; R92-K110 VanDerWaalsContact NH2-NZ 3.12Å; R92-E411 IonicContact CZ-OE1 2.88Å; R92-E411 IonicContact NH1-OE1 3.88Å; R92-E411 PolarHBondContact NH1-OE1 3.48Å; R92-E411 IonicContact NH2-OE1 3.13Å; R92-E411 PolarHBondContact NH2-OE1 2.86Å; R92-E411 IonicContact NH2-OE2 3.99Å
93A96.6Very high96.2Very high17 Ų1744.2 Ų44.214%0.1423%0.228CC..EExtended strand (participates in β ladder)trans-144.9141.1166.700000110.4E108 I109 W111A93-E108 WeakPolarHBondContact O-CA 3.5Å; A93-I109 HydrophobicContact CB-CG2 4.18Å; A93-I109 PolarHBondContact N-O 3.4Å; A93-I109 WeakPolarHBondContact O-CG2 3.45Å; A93-I109 PolarHBondContact O-N 2.99Å; A93-W111 HydrophobicContact CB-CH2 4.07Å; A93-W111 HydrophobicContact CB-CZ3 3.81Å
94K96.5Very high96.1Very high13 Ų1342.3 Ų42.36%0.05722%0.218CC..EExtended strand (participates in β ladder)trans-98.3139.6172.3-62.5176.7176.460.10110.1W50 L51 I97 Y106 Q107 E108W50-K94 HydrophobicContact CD2-CD 3.93Å; W50-K94 VanDerWaalsContact CE2-CD 3.43Å; W50-K94 HydrophobicContact CE3-CD 4.38Å; W50-K94 HydrophobicContact CG-CD 4.48Å; W50-K94 HydrophobicContact CH2-CD 3.94Å; W50-K94 HydrophobicContact CZ2-CD 3.47Å; W50-K94 VanDerWaalsContact CZ2-CD 3.47Å; W50-K94 HydrophobicContact CZ3-CD 4.38Å; W50-K94 WeakPolarHBondContact O-CD 3.34Å; W50-K94 PolarHBondContact O-NZ 2.78Å; L51-K94 HydrophobicContact CD1-CB 4.21Å; L51-K94 VanDerWaalsContact CD1-O 3.26Å; L51-K94 WeakPolarHBondContact CD1-O 3.38Å; L51-K94 PolarHBondContact O-N 3.35Å; K94-I97 HydrophobicContact CB-CD1 4.47Å; K94-Y106 HydrophobicContact CB-CD2 3.92Å; K94-Y106 HydrophobicContact CB-CG 4.41Å; K94-Y106 HydrophobicContact CD-CD2 3.55Å; K94-Y106 HydrophobicContact CD-CE2 3.45Å; K94-Y106 VanDerWaalsContact CD-CE2 3.45Å; K94-Y106 HydrophobicContact CD-CG 4.15Å; K94-Y106 HydrophobicContact CG-CD2 3.61Å; K94-Y106 HydrophobicContact CG-CE2 3.8Å; K94-Y106 HydrophobicContact CG-CG 4.44Å; K94-Q107 CarbonylContact C-O 3.53Å; K94-Q107 VanDerWaalsContact CA-O 3.26Å; K94-Q107 WeakPolarHBondContact CA-O 3.37Å; K94-E108 HydrophobicContact CG-CB 4.39Å; K94-E108 HydrophobicContact CG-CG 4.4Å; K94-E108 IonicContact NZ-OE1 3.95Å; K94-E108 PolarHBondContact NZ-OE1 2.82Å
95F95.6Very high96.1Very high60 Ų6042.9 Ų42.926%0.26322%0.219SC..EExtended strand (participates in β ladder)trans-147.3179.7-177.168.7-77000110.7I97 Q107 I109 P205F95-I97 VanDerWaalsContact C-N 3.26Å; F95-I97 PolarHBondContact O-N 3.46Å; F95-Q107 HydrophobicContact CD1-CB 4.36Å; F95-Q107 WeakPolarHBondContact CD1-O 3.12Å; F95-Q107 HydrophobicContact CE1-CB 3.78Å; F95-Q107 HydrophobicContact CE2-CB 4.21Å; F95-Q107 HydrophobicContact CZ-CB 3.7Å; F95-Q107 PolarHBondContact N-O 2.84Å; F95-Q107 PolarHBondContact O-N 3.48Å; F95-I109 HydrophobicContact CD1-CB 4.35Å; F95-I109 HydrophobicContact CD1-CG2 3.94Å; F95-I109 HydrophobicContact CE1-CB 3.79Å; F95-I109 HydrophobicContact CE1-CG2 3.89Å; F95-P205 HydrophobicContact CE1-CB 4.49Å; F95-P205 HydrophobicContact CZ-CB 3.74Å; F95-P205 HydrophobicContact CZ-CG 3.77Å
96N95.8Very high96Very high89 Ų8941.7 Ų41.748%0.47621%0.211SC..EExtended strand (participates in β ladder)trans51.745.3-172.8-68.4-15.2000112.4S98 Q107 Y208N96-S98 PolarHBondContact O-N 2.87Å; N96-Q107 PolarHBondContact ND2-OE1 2.89Å; N96-Y208 HydrophobicContact CB-CE1 4.3Å
97I95.7Very high95.9Very high49 Ų4942.6 Ų42.625%0.25122%0.215SC..EExtended strand (participates in β ladder)trans-82.5120.6-169.7-53.6178.7000110.2W50 L51 K94 F95 H99 I104 T105W50-I97 HydrophobicContact CH2-CD1 4.46Å; W50-I97 HydrophobicContact CZ3-CD1 4.19Å; L51-I97 HydrophobicContact CD1-CD1 3.17Å; K94-I97 HydrophobicContact CB-CD1 4.47Å; F95-I97 VanDerWaalsContact C-N 3.26Å; F95-I97 PolarHBondContact O-N 3.46Å; I97-H99 WeakPolarHBondContact CG2-NE2 3.34Å; I97-I104 HydrophobicContact CG2-CG2 3.6Å; I97-T105 CarbonylContact C-O 3.59Å; I97-T105 VanDerWaalsContact CA-O 3.3Å; I97-T105 WeakPolarHBondContact CA-O 3.47Å
98S96Very high95.7Very high54 Ų5443.9 Ų43.938%0.37822%0.221SC..EExtended strand (participates in β ladder)trans-114.1133.7171.4-172.80000110N96 I104 T105N96-S98 PolarHBondContact O-N 2.87Å; S98-I104 WeakPolarHBondContact O-CA 3.3Å; S98-T105 PolarHBondContact N-O 3.12Å; S98-T105 PolarHBondContact O-N 3.35Å
99H94.9Very high95.6Very high68 Ų6844.7 Ų44.732%0.31523%0.225SC..EExtended strand (participates in β ladder)trans-107.4122.3177.9-70.5-107.2000108.7Q42 Y47 I97Q42-H99 PolarHBondContact NE2-CD2 3.17Å; Q42-H99 PolarHBondContact NE2-CE1 3.46Å; Q42-H99 PolarHBondContact NE2-NE2 3.33Å; Y47-H99 AromaticContact CE2-CE1 3.59Å; Y47-H99 AromaticContact CE2-NE2 3.94Å; Y47-H99 AromaticContact CZ-CE1 3.94Å; Y47-H99 AromaticContact CZ-NE2 3.87Å; Y47-H99 PolarHBondContact OH-NE2 3Å; I97-H99 WeakPolarHBondContact CG2-NE2 3.34Å
100E92.5Very high95.6Very high122 Ų12243.2 Ų43.257%0.5722%0.221SC*.EExtended strand (participates in β ladder)trans-130.1124.8176.6-69.1-179.1-172.600108.1G102 S103E100-G102 PolarHBondContact O-N 2.88Å; E100-S103 PolarHBondContact N-O 3.4Å; E100-S103 CarbonylContact O-C 3.57Å; E100-S103 WeakPolarHBondContact O-CA 3.41Å; E100-S103 PolarHBondContact O-N 3.08Å; E100-S103 PolarHBondContact O-OG 2.98Å
101N89.4Confident95.6Very high150 Ų15046 Ų4680%0.80223%0.231SC*.THydrogen-bonded Turntrans-22.598.7-172.4-173.640.7000115.1H216N101-H216 PolarHBondContact OD1-CE1 2.85Å; N101-H216 PolarHBondContact OD1-NE2 2.79Å
102G92.9Very high95.6Very high6 Ų643.1 Ų43.16%0.06222%0.218CC..THydrogen-bonded Turntrans93.33.1-18000000116.4E100 N212 D213E100-G102 PolarHBondContact O-N 2.88Å; G102-N212 PolarHBondContact O-ND2 3.34Å; G102-D213 VanDerWaalsContact C-CG 3.47Å; G102-D213 VanDerWaalsContact C-OD1 3.32Å; G102-D213 WeakPolarHBondContact CA-OD1 3.23Å; G102-D213 PolarHBondContact O-N 3.18Å
103S95.4Very high95.7Very high17 Ų1747 Ų4712%0.11923%0.233CC..EExtended strand (participates in β ladder)trans-149.2153-175.267.60000113.6E100 I211E100-S103 PolarHBondContact N-O 3.4Å; E100-S103 CarbonylContact O-C 3.57Å; E100-S103 WeakPolarHBondContact O-CA 3.41Å; E100-S103 PolarHBondContact O-N 3.08Å; E100-S103 PolarHBondContact O-OG 2.98Å; S103-I211 CarbonylContact C-O 3.48Å; S103-I211 WeakPolarHBondContact CA-O 3.37Å; S103-I211 WeakPolarHBondContact CB-O 3.25Å
104I96.2Very high95.8Very high0 Ų048.4 Ų48.40%024%0.236CC..EExtended strand (participates in β ladder)trans-128.6128.5178.2-60.9162.8000108.4L40 Y47 W50 I97 S98 Y106 T210 I211 D213L40-I104 HydrophobicContact CB-CD1 3.82Å; L40-I104 HydrophobicContact CD1-CD1 4.33Å; Y47-I104 HydrophobicContact CE2-CD1 4.38Å; W50-I104 HydrophobicContact CH2-CG2 3.57Å; W50-I104 HydrophobicContact CZ2-CG2 4.22Å; W50-I104 HydrophobicContact CZ3-CG2 4.36Å; I97-I104 HydrophobicContact CG2-CG2 3.6Å; S98-I104 WeakPolarHBondContact O-CA 3.3Å; I104-Y106 HydrophobicContact CG2-CD1 4.45Å; I104-T210 CarbonylContact O-C 3.57Å; I104-T210 WeakPolarHBondContact O-CA 3.5Å; I104-I211 HydrophobicContact CB-CG1 4.19Å; I104-I211 PolarHBondContact N-O 3.29Å; I104-I211 PolarHBondContact O-N 2.96Å; I104-D213 HydrophobicContact CD1-CB 3.65Å; I104-D213 HydrophobicContact CG1-CB 3.93Å
105T97.2Very high95.8Very high25 Ų2549.6 Ų49.615%0.15324%0.243CC..EExtended strand (participates in β ladder)trans-109.2134.6172.4-59.60000109.9I97 S98 Y208 V209 T210I97-T105 CarbonylContact C-O 3.59Å; I97-T105 VanDerWaalsContact CA-O 3.3Å; I97-T105 WeakPolarHBondContact CA-O 3.47Å; S98-T105 PolarHBondContact N-O 3.12Å; S98-T105 PolarHBondContact O-N 3.35Å; T105-Y208 HydrophobicContact CG2-CD1 4Å; T105-V209 VanDerWaalsContact CA-O 3.31Å; T105-V209 WeakPolarHBondContact CA-O 3.13Å; T105-T210 WeakPolarHBondContact OG1-CG2 3.49Å; T105-T210 PolarHBondContact OG1-OG1 2.81Å
106Y97Very high95.9Very high5 Ų550.5 Ų50.52%0.0226%0.256CS..EExtended strand (participates in β ladder)trans-152.1168.8-177.564.8-82.9000112W50 K94 I104 E108 Y208 V209 I211 D248W50-Y106 AromaticContact CH2-CD1 3.94Å; W50-Y106 HydrophobicContact CH2-CD1 3.94Å; W50-Y106 HydrophobicContact CH2-CE1 4.41Å; W50-Y106 HydrophobicContact CH2-CG 4.22Å; W50-Y106 AromaticContact CZ2-CD1 3.54Å; W50-Y106 HydrophobicContact CZ2-CD1 3.54Å; W50-Y106 AromaticContact CZ2-CE1 3.56Å; W50-Y106 HydrophobicContact CZ2-CE1 3.56Å; W50-Y106 HydrophobicContact CZ2-CG 4.06Å; K94-Y106 HydrophobicContact CB-CD2 3.92Å; K94-Y106 HydrophobicContact CB-CG 4.41Å; K94-Y106 HydrophobicContact CD-CD2 3.55Å; K94-Y106 HydrophobicContact CD-CE2 3.45Å; K94-Y106 VanDerWaalsContact CD-CE2 3.45Å; K94-Y106 HydrophobicContact CD-CG 4.15Å; K94-Y106 HydrophobicContact CG-CD2 3.61Å; K94-Y106 HydrophobicContact CG-CE2 3.8Å; K94-Y106 HydrophobicContact CG-CG 4.44Å; I104-Y106 HydrophobicContact CG2-CD1 4.45Å; Y106-E108 HydrophobicContact CE2-CB 4.46Å; Y106-Y208 WeakPolarHBondContact O-CA 3.33Å; Y106-V209 WeakPolarHBondContact CD1-O 3.33Å; Y106-V209 HydrophobicContact CE1-CB 4.2Å; Y106-V209 HydrophobicContact CE1-CG1 4.44Å; Y106-V209 HydrophobicContact CE2-CB 4.46Å; Y106-V209 PolarHBondContact N-O 2.75Å; Y106-V209 PolarHBondContact O-N 2.93Å; Y106-I211 HydrophobicContact CE1-CD1 3.91Å; Y106-I211 HydrophobicContact CE1-CG1 3.99Å; Y106-I211 HydrophobicContact CE1-CG2 4Å; Y106-D248 PolarHBondContact OH-OD2 2.83Å
107Q96.3Very high96Very high23 Ų2353.4 Ų53.411%0.10727%0.271CS..EExtended strand (participates in β ladder)trans-115.3152.1160.4-64.9-178.7-83.500109.2K94 F95 N96 S206 Y208K94-Q107 CarbonylContact C-O 3.53Å; K94-Q107 VanDerWaalsContact CA-O 3.26Å; K94-Q107 WeakPolarHBondContact CA-O 3.37Å; F95-Q107 HydrophobicContact CD1-CB 4.36Å; F95-Q107 WeakPolarHBondContact CD1-O 3.12Å; F95-Q107 HydrophobicContact CE1-CB 3.78Å; F95-Q107 HydrophobicContact CE2-CB 4.21Å; F95-Q107 HydrophobicContact CZ-CB 3.7Å; F95-Q107 PolarHBondContact N-O 2.84Å; F95-Q107 PolarHBondContact O-N 3.48Å; N96-Q107 PolarHBondContact ND2-OE1 2.89Å; Q107-S206 PolarHBondContact NE2-O 3.01Å; Q107-Y208 HydrophobicContact CG-CD1 3.58Å; Q107-Y208 HydrophobicContact CG-CD2 4.19Å; Q107-Y208 HydrophobicContact CG-CE1 3.61Å; Q107-Y208 HydrophobicContact CG-CE2 4.2Å; Q107-Y208 HydrophobicContact CG-CG 3.89Å; Q107-Y208 VanDerWaalsContact OE1-CZ 3.29Å; Q107-Y208 PolarHBondContact OE1-OH 2.91Å
108E95.5Very high96.1Very high27 Ų2755.1 Ų55.113%0.12628%0.28CS..EExtended strand (participates in β ladder)trans-111.7142.1174.3-173.8169.3-95.400109.8A93 K94 Y106 K110 S206A93-E108 WeakPolarHBondContact O-CA 3.5Å; K94-E108 HydrophobicContact CG-CB 4.39Å; K94-E108 HydrophobicContact CG-CG 4.4Å; K94-E108 IonicContact NZ-OE1 3.95Å; K94-E108 PolarHBondContact NZ-OE1 2.82Å; Y106-E108 HydrophobicContact CE2-CB 4.46Å; E108-K110 HydrophobicContact CG-CG 4.47Å; E108-K110 WeakPolarHBondContact OE2-CE 3.28Å; E108-K110 IonicContact OE2-NZ 2.67Å; E108-S206 PolarHBondContact N-OG 2.81Å; E108-S206 WeakPolarHBondContact O-CB 3.33Å; E108-S206 PolarHBondContact O-N 3.49Å; E108-S206 PolarHBondContact O-OG 2.7Å
109I96.4Very high96.2Very high20 Ų2053.5 Ų53.510%0.10327%0.269CS..EExtended strand (participates in β ladder)trans-121142.2169.8-175162.7000108.9R92 A93 F95 W111R92-I109 WeakPolarHBondContact CA-O 3.44Å; A93-I109 HydrophobicContact CB-CG2 4.18Å; A93-I109 PolarHBondContact N-O 3.4Å; A93-I109 WeakPolarHBondContact O-CG2 3.45Å; A93-I109 PolarHBondContact O-N 2.99Å; F95-I109 HydrophobicContact CD1-CB 4.35Å; F95-I109 HydrophobicContact CD1-CG2 3.94Å; F95-I109 HydrophobicContact CE1-CB 3.79Å; F95-I109 HydrophobicContact CE1-CG2 3.89Å; I109-W111 HydrophobicContact CB-CH2 4.36Å; I109-W111 HydrophobicContact CB-CZ2 4.47Å; I109-W111 HydrophobicContact CD1-CH2 4.44Å; I109-W111 HydrophobicContact CD1-CZ2 3.77Å; I109-W111 HydrophobicContact CG1-CH2 4.26Å; I109-W111 HydrophobicContact CG1-CZ2 3.92Å; I109-W111 HydrophobicContact CG2-CH2 3.28Å; I109-W111 HydrophobicContact CG2-CZ2 3.76Å; I109-W111 HydrophobicContact CG2-CZ3 3.75Å
110K96.5Very high96.3Very high47 Ų4756.6 Ų56.620%0.20429%0.288CS..EExtended strand (participates in β ladder)trans-123.8135.2-177.6-61.6176.4164.9-140.30109.8E90 K91 R92 E108 Y112 N203E90-K110 WeakPolarHBondContact OE1-CD 3.27Å; E90-K110 VanDerWaalsContact OE1-CE 3.23Å; E90-K110 WeakPolarHBondContact OE1-CE 2.92Å; E90-K110 IonicContact OE1-NZ 2.72Å; E90-K110 PolarHBondContact OE1-NZ 3.07Å; K91-K110 CarbonylContact O-C 3.55Å; K91-K110 WeakPolarHBondContact O-CA 3.29Å; R92-K110 HydrophobicContact CG-CG 4.25Å; R92-K110 VanDerWaalsContact CZ-NZ 3.34Å; R92-K110 VanDerWaalsContact NH2-NZ 3.12Å; E108-K110 HydrophobicContact CG-CG 4.47Å; E108-K110 WeakPolarHBondContact OE2-CE 3.28Å; E108-K110 IonicContact OE2-NZ 2.67Å; K110-Y112 HydrophobicContact CB-CE2 4.05Å; K110-N203 PolarHBondContact O-N 2.83Å
111W97.7Very high96.5Very high60 Ų6051.7 Ų51.723%0.22727%0.27CS..EExtended strand (participates in β ladder)trans-118.7139.1171-59.5-85.6000109.7E90 K91 A93 I109 Y113 N202 N203E90-W111 CarbonylContact C-O 3.54Å; E90-W111 WeakPolarHBondContact CA-O 3.49Å; K91-W111 HydrophobicContact CB-CB 4.36Å; K91-W111 HydrophobicContact CB-CE3 4.08Å; K91-W111 HydrophobicContact CD-CE3 4.19Å; K91-W111 HydrophobicContact CG-CE3 4.02Å; K91-W111 HydrophobicContact CG-CZ3 4.44Å; K91-W111 PolarHBondContact N-O 3.29Å; K91-W111 PolarHBondContact O-N 3.08Å; A93-W111 HydrophobicContact CB-CH2 4.07Å; A93-W111 HydrophobicContact CB-CZ3 3.81Å; I109-W111 HydrophobicContact CB-CH2 4.36Å; I109-W111 HydrophobicContact CB-CZ2 4.47Å; I109-W111 HydrophobicContact CD1-CH2 4.44Å; I109-W111 HydrophobicContact CD1-CZ2 3.77Å; I109-W111 HydrophobicContact CG1-CH2 4.26Å; I109-W111 HydrophobicContact CG1-CZ2 3.92Å; I109-W111 HydrophobicContact CG2-CH2 3.28Å; I109-W111 HydrophobicContact CG2-CZ2 3.76Å; I109-W111 HydrophobicContact CG2-CZ3 3.75Å; W111-Y113 HydrophobicContact CB-CD2 4.36Å; W111-Y113 HydrophobicContact CB-CE2 3.53Å; W111-Y113 HydrophobicContact CG-CE2 4.5Å; W111-N202 WeakPolarHBondContact CA-OD1 3.47Å; W111-N203 PolarHBondContact NE1-OD1 2.82Å
112Y97.7Very high96.8Very high19 Ų1947.7 Ų47.78%0.07525%0.251CS..EExtended strand (participates in β ladder)trans-117.3123.6179.5-56.3-85.3000109.4I59 E90 K110 W174 K201 N202I59-Y112 HydrophobicContact CD1-CE1 4.18Å; I59-Y112 HydrophobicContact CG2-CD1 3.58Å; I59-Y112 HydrophobicContact CG2-CE1 3.81Å; E90-Y112 HydrophobicContact CB-CD1 4.14Å; E90-Y112 HydrophobicContact CB-CE1 4.18Å; E90-Y112 HydrophobicContact CG-CD1 3.93Å; E90-Y112 HydrophobicContact CG-CE1 3.61Å; K110-Y112 HydrophobicContact CB-CE2 4.05Å; Y112-W174 HydrophobicContact CD1-CH2 4.26Å; Y112-W174 AromaticContact CD2-CH2 3.51Å; Y112-W174 HydrophobicContact CD2-CH2 3.51Å; Y112-W174 AromaticContact CD2-CZ3 3.77Å; Y112-W174 HydrophobicContact CD2-CZ3 3.77Å; Y112-W174 HydrophobicContact CE2-CH2 4.27Å; Y112-W174 HydrophobicContact CE2-CZ3 4.29Å; Y112-W174 AromaticContact CG-CH2 3.5Å; Y112-W174 HydrophobicContact CG-CH2 3.5Å; Y112-W174 VanDerWaalsContact CG-CH2 3.5Å; Y112-W174 HydrophobicContact CG-CZ2 4.32Å; Y112-W174 HydrophobicContact CG-CZ3 4.24Å; Y112-K201 HydrophobicContact CE2-CB 4.35Å; Y112-N202 HydrophobicContact CD2-CB 3.98Å; Y112-N202 PolarHBondContact N-OD1 3.13Å
113Y97.7Very high97Very high116 Ų11649.9 Ų49.946%0.45526%0.26SS..EExtended strand (participates in β ladder)trans-119.3116.8179.5-57.2-85.2000109.1Y88 Y89 K91 W111 D115Y88-Y113 CarbonylContact C-O 3.51Å; Y88-Y113 VanDerWaalsContact CA-O 3.22Å; Y88-Y113 WeakPolarHBondContact CA-O 3.46Å; Y89-Y113 AromaticContact CD1-CD2 3.89Å; Y89-Y113 HydrophobicContact CD1-CD2 3.89Å; Y89-Y113 PolarHBondContact N-O 3.42Å; Y89-Y113 PolarHBondContact O-N 2.94Å; K91-Y113 HydrophobicContact CB-CE2 4.07Å; W111-Y113 HydrophobicContact CB-CD2 4.36Å; W111-Y113 HydrophobicContact CB-CE2 3.53Å; W111-Y113 HydrophobicContact CG-CE2 4.5Å; Y113-D115 PolarHBondContact O-N 2.67Å
114F98.3Very high97.2Very high46 Ų4655 Ų5520%0.20229%0.285CS..EExtended strand (participates in β ladder)trans-62.3131.6-178.8-175.1-113.7000111.1Y86 T87 Y88 P116 S119 G121 E123Y86-F114 HydrophobicContact CD1-CE2 4.37Å; T87-F114 WeakPolarHBondContact O-CD2 3.16Å; Y88-F114 VanDerWaalsContact CD1-CA 3.48Å; Y88-F114 HydrophobicContact CD1-CB 3.85Å; Y88-F114 HydrophobicContact CD1-CD2 4.28Å; Y88-F114 HydrophobicContact CD2-CD2 4.18Å; Y88-F114 HydrophobicContact CE1-CB 3.6Å; Y88-F114 AromaticContact CE1-CD2 3.87Å; Y88-F114 HydrophobicContact CE1-CD2 3.87Å; Y88-F114 HydrophobicContact CE1-CG 4.19Å; Y88-F114 AromaticContact CE2-CD2 3.78Å; Y88-F114 HydrophobicContact CE2-CD2 3.78Å; Y88-F114 HydrophobicContact CE2-CE2 4.39Å; Y88-F114 HydrophobicContact CG-CD2 4.42Å; Y88-F114 AromaticContact CZ-CD2 3.6Å; F114-P116 HydrophobicContact CD1-CB 4.48Å; F114-P116 HydrophobicContact CE1-CB 4Å; F114-S119 VanDerWaalsContact CE2-OG 3.26Å; F114-S119 WeakPolarHBondContact CE2-OG 3.42Å; F114-S119 WeakPolarHBondContact CZ-OG 3.39Å; F114-G121 WeakPolarHBondContact CZ-O 3.44Å; F114-E123 HydrophobicContact CB-CG 4.16Å; F114-E123 WeakPolarHBondContact CB-OE2 3.23Å; F114-E123 HydrophobicContact CD1-CG 3.75Å; F114-E123 HydrophobicContact CD2-CG 3.62Å; F114-E123 HydrophobicContact CE1-CG 3.99Å; F114-E123 HydrophobicContact CE2-CG 3.86Å; F114-E123 HydrophobicContact CG-CG 3.56Å; F114-E123 HydrophobicContact CZ-CG 4.04Å
115D98Very high97.3Very high38 Ų3857.2 Ų57.220%0.20330%0.298CS..  trans-110.8100.7175.6-169.4-23.4000109.8T87 Y113 N117 L118 S119T87-D115 PolarHBondContact O-N 3.19Å; Y113-D115 PolarHBondContact O-N 2.67Å; D115-N117 PolarHBondContact O-N 2.98Å; D115-N117 WeakPolarHBondContact OD1-CB 3.47Å; D115-N117 PolarHBondContact OD1-N 2.64Å; D115-L118 HydrophobicContact CB-CB 4.43Å; D115-L118 PolarHBondContact O-N 3.07Å; D115-L118 PolarHBondContact OD1-N 3.27Å; D115-S119 WeakPolarHBondContact O-CB 3.3Å; D115-S119 PolarHBondContact O-N 3.16Å; D115-S119 PolarHBondContact O-OG 3.14Å
116P97.3Very high97.3Very high80 Ų8060 Ų6052%0.51932%0.315SS..G310 helixtrans-67-23.3-179.826.8-34.3000113.2F114 L118 S119F114-P116 HydrophobicContact CD1-CB 4.48Å; F114-P116 HydrophobicContact CE1-CB 4Å; P116-L118 VanDerWaalsContact C-N 3.33Å; P116-S119 PolarHBondContact O-N 2.95Å
117N97.6Very high97.4Very high150 Ų15060 Ų6080%0.80232%0.315SS*.G310 helixtrans-76.9-24.3-178.1-60.2-50.7000112.4D115D115-N117 PolarHBondContact O-N 2.98Å; D115-N117 WeakPolarHBondContact OD1-CB 3.47Å; D115-N117 PolarHBondContact OD1-N 2.64Å
118L97.5Very high97.5Very high84 Ų8460.3 Ų60.344%0.4432%0.319SS..G310 helixtrans-102.59.8176.4-61.5-179.7000112.4F58 T87 D115 P116F58-L118 HydrophobicContact CD1-CD1 4.09Å; F58-L118 HydrophobicContact CE1-CD1 3.61Å; F58-L118 HydrophobicContact CZ-CD1 3.97Å; T87-L118 WeakPolarHBondContact CB-O 3.35Å; T87-L118 HydrophobicContact CG2-CB 3.73Å; T87-L118 HydrophobicContact CG2-CD1 4.21Å; T87-L118 PolarHBondContact OG1-O 2.91Å; D115-L118 HydrophobicContact CB-CB 4.43Å; D115-L118 PolarHBondContact O-N 3.07Å; D115-L118 PolarHBondContact OD1-N 3.27Å; P116-L118 VanDerWaalsContact C-N 3.33Å
119S98.4Very high97.5Very high20 Ų2059.4 Ų59.414%0.1432%0.315CS..  trans-112.4145.3-178.9-61.20000111.4P85 T87 F114 D115 P116 G121P85-S119 CarbonylContact O-C 3.56Å; P85-S119 VanDerWaalsContact O-CA 3.24Å; P85-S119 WeakPolarHBondContact O-CA 3.29Å; T87-S119 PolarHBondContact N-OG 3.42Å; F114-S119 VanDerWaalsContact CE2-OG 3.26Å; F114-S119 WeakPolarHBondContact CE2-OG 3.42Å; F114-S119 WeakPolarHBondContact CZ-OG 3.39Å; D115-S119 WeakPolarHBondContact O-CB 3.3Å; D115-S119 PolarHBondContact O-N 3.16Å; D115-S119 PolarHBondContact O-OG 3.14Å; P116-S119 PolarHBondContact O-N 2.95Å; S119-G121 PolarHBondContact O-N 2.81Å
120N96.9Very high97.5Very high133 Ų13358.6 Ų58.671%0.71131%0.311SS*.SBendtrans-90.821.6176.9-163.924.3000112.8G84 P85G84-N120 WeakPolarHBondContact O-CB 3.33Å; G84-N120 PolarHBondContact O-ND2 2.87Å; P85-N120 PolarHBondContact O-N 2.86Å
121G95.7Very high97.4Very high19 Ų1956.3 Ų56.320%0.19630%0.301CS..SBendtrans177.1-175.1-167.700000111.7F114 S119 D125F114-G121 WeakPolarHBondContact CZ-O 3.44Å; S119-G121 PolarHBondContact O-N 2.81Å; G121-D125 WeakPolarHBondContact CA-OD2 3.2Å
122T97.5Very high97.2Very high67 Ų6754.8 Ų54.841%0.41130%0.297SS..  trans-116.8162.5179.571.90000111.9Y86 N124 D125Y86-T122 WeakPolarHBondContact CE1-O 3.49Å; T122-N124 PolarHBondContact O-N 3.19Å; T122-N124 PolarHBondContact OG1-N 2.97Å; T122-D125 VanDerWaalsContact N-CG 3.26Å; T122-D125 PolarHBondContact N-OD1 3.35Å; T122-D125 PolarHBondContact N-OD2 2.9Å; T122-D125 VanDerWaalsContact N-OD2 3.09Å; T122-D125 WeakPolarHBondContact O-CB 3.39Å; T122-D125 PolarHBondContact O-N 3.24Å; T122-D125 PolarHBondContact OG1-OD1 3Å
123E96.9Very high96.9Very high52 Ų5253.9 Ų53.924%0.24329%0.294CS..THydrogen-bonded Turntrans-64.2-11.1173.6-55.2-173.790.300113.4Y88 F114 T168 V169 N170Y88-E123 VanDerWaalsContact CE1-OE1 3.28Å; Y88-E123 WeakPolarHBondContact CE1-OE1 3.26Å; Y88-E123 VanDerWaalsContact CZ-OE1 3.28Å; Y88-E123 VanDerWaalsContact OH-CD 3.3Å; Y88-E123 WeakPolarHBondContact OH-CG 3.39Å; Y88-E123 PolarHBondContact OH-OE1 3.02Å; F114-E123 HydrophobicContact CB-CG 4.16Å; F114-E123 WeakPolarHBondContact CB-OE2 3.23Å; F114-E123 HydrophobicContact CD1-CG 3.75Å; F114-E123 HydrophobicContact CD2-CG 3.62Å; F114-E123 HydrophobicContact CE1-CG 3.99Å; F114-E123 HydrophobicContact CE2-CG 3.86Å; F114-E123 HydrophobicContact CG-CG 3.56Å; F114-E123 HydrophobicContact CZ-CG 4.04Å; E123-T168 WeakPolarHBondContact O-CB 3.34Å; E123-V169 PolarHBondContact O-N 3.12Å; E123-N170 HydrophobicContact CB-CB 4.01Å; E123-N170 WeakPolarHBondContact O-CB 3.42Å; E123-N170 PolarHBondContact O-N 3.01Å
124N98.1Very high96.8Very high123 Ų12348.5 Ų48.566%0.65827%0.273SS*.THydrogen-bonded Turntrans-89.7-8.3175.8-66.1-34.2000113.3T122T122-N124 PolarHBondContact O-N 3.19Å; T122-N124 PolarHBondContact OG1-N 2.97Å
125D98.2Very high96.6Very high48 Ų4846.4 Ų46.426%0.25726%0.264SS..  trans-59.4141175.2-645.8000109.2Y86 G121 T122 T168 V169Y86-D125 HydrophobicContact CE1-CB 4.1Å; Y86-D125 WeakPolarHBondContact CE1-OD2 3.38Å; Y86-D125 WeakPolarHBondContact OH-CB 3.34Å; Y86-D125 PolarHBondContact OH-OD2 2.9Å; G121-D125 WeakPolarHBondContact CA-OD2 3.2Å; T122-D125 VanDerWaalsContact N-CG 3.26Å; T122-D125 PolarHBondContact N-OD1 3.35Å; T122-D125 PolarHBondContact N-OD2 2.9Å; T122-D125 VanDerWaalsContact N-OD2 3.09Å; T122-D125 WeakPolarHBondContact O-CB 3.39Å; T122-D125 PolarHBondContact O-N 3.24Å; T122-D125 PolarHBondContact OG1-OD1 3Å; D125-T168 CarbonylContact O-C 3.54Å; D125-T168 WeakPolarHBondContact O-CA 3.3Å; D125-V169 HydrophobicContact CB-CG2 4.27Å; D125-V169 PolarHBondContact O-N 2.68Å
126T98.2Very high96.2Very high84 Ų8445.6 Ų45.652%0.51526%0.262SS..EExtended strand (participates in β ladder)trans-101140.2-17556.40000111T166 K167 T168T126-T166 HydrophobicContact CG2-CG2 4.29Å; T126-K167 WeakPolarHBondContact CA-O 3.28Å; T126-T168 HydrophobicContact CG2-CG2 4.18Å
127I98.3Very high95.9Very high3 Ų342.7 Ų42.72%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-126.3127.1178.5-65.6148.1000107.7F63 L83 T166 K167 V169 L172F63-I127 HydrophobicContact CB-CD1 3.46Å; F63-I127 VanDerWaalsContact CB-CD1 3.46Å; F63-I127 HydrophobicContact CB-CG1 4.01Å; F63-I127 HydrophobicContact CB-CG2 4.31Å; F63-I127 HydrophobicContact CD1-CD1 3.61Å; F63-I127 HydrophobicContact CD2-CD1 3.54Å; F63-I127 HydrophobicContact CE1-CD1 4.18Å; F63-I127 HydrophobicContact CE2-CD1 4.13Å; F63-I127 HydrophobicContact CG-CD1 3.24Å; F63-I127 HydrophobicContact CG-CG1 4.3Å; F63-I127 HydrophobicContact CZ-CD1 4.41Å; L83-I127 HydrophobicContact CD1-CG1 4.22Å; I127-T166 WeakPolarHBondContact O-CA 2.91Å; I127-K167 PolarHBondContact N-O 3.49Å; I127-K167 PolarHBondContact O-N 2.78Å; I127-K167 VanDerWaalsContact O-N 3.12Å; I127-V169 HydrophobicContact CD1-CG2 3.48Å; I127-V169 VanDerWaalsContact CD1-CG2 3.48Å; I127-V169 HydrophobicContact CG1-CG2 4.47Å; I127-L172 HydrophobicContact CB-CD1 3.7Å; I127-L172 HydrophobicContact CD1-CD1 3.82Å; I127-L172 HydrophobicContact CG1-CD1 4.41Å; I127-L172 HydrophobicContact CG2-CD1 3.98Å
128T98.3Very high95.6Very high31 Ų3135.7 Ų35.719%0.1921%0.205CC..EExtended strand (participates in β ladder)trans-89.5125.9170.7-58.50000109.3N65 L66 P69 I165 T166N65-T128 PolarHBondContact OD1-N 3.14Å; L66-T128 WeakPolarHBondContact CB-O 3.42Å; L66-T128 PolarHBondContact N-O 2.89Å; P69-T128 HydrophobicContact CG-CG2 4.46Å; T128-I165 WeakPolarHBondContact CA-O 3.3Å; T128-T166 PolarHBondContact OG1-OG1 2.85Å
129S96.6Very high95.2Very high8 Ų833.2 Ų33.26%0.05619%0.194CC..EExtended strand (participates in β ladder)trans-151.8-178175.1-160.10000110.6F164 I165 I406S129-F164 CarbonylContact O-C 3.55Å; S129-F164 VanDerWaalsContact O-CA 3.3Å; S129-F164 WeakPolarHBondContact O-CA 3.07Å; S129-I165 PolarHBondContact N-O 2.86Å; S129-I165 PolarHBondContact O-N 3.12Å; S129-I406 VanDerWaalsContact OG-CD1 3.29Å; S129-I406 WeakPolarHBondContact OG-CD1 3.46Å
130V95.6Very high94.7Very high2 Ų237.5 Ų37.51%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-70.4147.1171.9-64.40000110.9L132 I135 L163 F164 I385 V387 L404 I406V130-L132 PolarHBondContact O-N 2.81Å; V130-I135 HydrophobicContact CB-CG1 4.23Å; V130-I135 HydrophobicContact CG2-CG1 4.22Å; V130-L163 CarbonylContact C-O 3.51Å; V130-L163 VanDerWaalsContact CA-O 3.26Å; V130-L163 WeakPolarHBondContact CA-O 3.32Å; V130-F164 HydrophobicContact CG1-CD1 3.82Å; V130-F164 HydrophobicContact CG1-CE1 3.63Å; V130-I385 HydrophobicContact CG2-CD1 4.39Å; V130-I385 HydrophobicContact CG2-CG2 3.55Å; V130-V387 HydrophobicContact CG1-CG2 4.32Å; V130-V387 HydrophobicContact CG2-CG2 4.47Å; V130-L404 HydrophobicContact CB-CD2 4.27Å; V130-L404 HydrophobicContact CG1-CD2 3.52Å; V130-L404 HydrophobicContact CG2-CD2 3.83Å; V130-I406 HydrophobicContact CG2-CD1 4.25Å
131N95Very high94.2Very high0 Ų032.2 Ų32.20%018%0.181CC..  trans-70.2111171.9-173.8-43.8000109.7A133 Y134 I135 Y162 L163 I165 D178N131-A133 VanDerWaalsContact C-N 3.3Å; N131-A133 PolarHBondContact O-N 2.83Å; N131-A133 WeakPolarHBondContact OD1-CA 3.42Å; N131-A133 VanDerWaalsContact OD1-CB 3.31Å; N131-A133 WeakPolarHBondContact OD1-CB 3.24Å; N131-A133 PolarHBondContact OD1-N 3.49Å; N131-Y134 PolarHBondContact O-N 3.43Å; N131-Y134 PolarHBondContact OD1-N 3.42Å; N131-I135 WeakPolarHBondContact O-CG1 3.46Å; N131-I135 PolarHBondContact O-N 3.47Å; N131-Y162 VanDerWaalsContact CB-O 3.27Å; N131-Y162 WeakPolarHBondContact CB-O 3.35Å; N131-Y162 WeakPolarHBondContact ND2-CD1 3.19Å; N131-Y162 WeakPolarHBondContact ND2-CE1 3.33Å; N131-L163 PolarHBondContact N-O 2.93Å; N131-I165 HydrophobicContact CB-CD1 4.15Å; N131-I165 HydrophobicContact CB-CG1 4.15Å; N131-I165 HydrophobicContact CB-CG2 3.89Å; N131-D178 PolarHBondContact ND2-OD2 3.09Å; N131-D178 PolarHBondContact OD1-OD2 3.34Å
132L92.9Very high93.6Very high27 Ų2733.6 Ų33.614%0.14119%0.188CC..Hα-helixtrans-61.4-37.3-178.1-54.1179.6000112.3V130 A136 I195 L197 I385 I406V130-L132 PolarHBondContact O-N 2.81Å; L132-A136 VanDerWaalsContact O-CB 3.3Å; L132-A136 WeakPolarHBondContact O-CB 3.36Å; L132-A136 PolarHBondContact O-N 2.95Å; L132-I195 HydrophobicContact CB-CD1 3.73Å; L132-L197 HydrophobicContact CD1-CD2 3.81Å; L132-L197 HydrophobicContact CD1-CG 4.35Å; L132-I385 HydrophobicContact CB-CD1 4.38Å; L132-I385 HydrophobicContact CD2-CD1 3.48Å; L132-I385 VanDerWaalsContact CD2-CD1 3.48Å; L132-I406 HydrophobicContact CD2-CD1 4.16Å; L132-I406 HydrophobicContact CD2-CG1 4.34Å
133A92.7Very high92.6Very high1 Ų137.9 Ų37.91%0.00820%0.201CC..Hα-helixtrans-67-47.4177.700000110.9N131 I135 A136 I137 D178 L181 I195N131-A133 VanDerWaalsContact C-N 3.3Å; N131-A133 PolarHBondContact O-N 2.83Å; N131-A133 WeakPolarHBondContact OD1-CA 3.42Å; N131-A133 VanDerWaalsContact OD1-CB 3.31Å; N131-A133 WeakPolarHBondContact OD1-CB 3.24Å; N131-A133 PolarHBondContact OD1-N 3.49Å; A133-I135 PolarHBondContact O-N 3.32Å; A133-A136 PolarHBondContact O-N 2.83Å; A133-I137 WeakPolarHBondContact O-CB 3.39Å; A133-I137 WeakPolarHBondContact O-CD1 3.3Å; A133-I137 VanDerWaalsContact O-CG1 3.29Å; A133-I137 WeakPolarHBondContact O-CG1 3.31Å; A133-I137 PolarHBondContact O-N 3.39Å; A133-D178 HydrophobicContact CB-CB 4.39Å; A133-D178 WeakPolarHBondContact CB-OD1 3.42Å; A133-L181 HydrophobicContact CB-CD1 3.9Å; A133-L181 HydrophobicContact CB-CD2 4.04Å; A133-L181 HydrophobicContact CB-CG 3.7Å; A133-I195 HydrophobicContact CB-CD1 3.84Å
134Y94.2Very high91.8Very high2 Ų240 Ų401%0.00821%0.212CC..Hα-helixtrans-55.9-49.7177.1-177.7-89.5000111.4N131 A136 I137 A138 E156 L163 L180 Q395 L396N131-Y134 PolarHBondContact O-N 3.43Å; N131-Y134 PolarHBondContact OD1-N 3.42Å; Y134-A136 VanDerWaalsContact C-N 3.35Å; Y134-A136 PolarHBondContact O-N 3.12Å; Y134-I137 PolarHBondContact O-N 3.05Å; Y134-A138 WeakPolarHBondContact O-CB 3.38Å; Y134-A138 PolarHBondContact O-N 3.04Å; Y134-E156 VanDerWaalsContact CE2-OE1 3.29Å; Y134-E156 WeakPolarHBondContact CE2-OE1 3.34Å; Y134-E156 VanDerWaalsContact CZ-OE1 3.32Å; Y134-E156 PolarHBondContact OH-OE1 2.88Å; Y134-L163 HydrophobicContact CD1-CD1 3.81Å; Y134-L163 HydrophobicContact CE1-CD1 3.93Å; Y134-L180 HydrophobicContact CD2-CD2 3.86Å; Y134-L180 HydrophobicContact CG-CD2 4.37Å; Y134-Q395 HydrophobicContact CE1-CB 4.46Å; Y134-Q395 WeakPolarHBondContact OH-CB 3.43Å; Y134-L396 HydrophobicContact CE1-CD1 4.15Å; Y134-L396 HydrophobicContact CE1-CD2 4.02Å; Y134-L396 HydrophobicContact CE1-CG 3.93Å
135I93.9Very high90.8Very high3 Ų339 Ų392%0.01521%0.213CC..Hα-helixtrans-64.2-38.7179-59.8-66.3000111.8V130 N131 A133 T139 L163 P333 I385 V387 L396V130-I135 HydrophobicContact CB-CG1 4.23Å; V130-I135 HydrophobicContact CG2-CG1 4.22Å; N131-I135 WeakPolarHBondContact O-CG1 3.46Å; N131-I135 PolarHBondContact O-N 3.47Å; A133-I135 PolarHBondContact O-N 3.32Å; I135-T139 WeakPolarHBondContact O-CB 3.42Å; I135-T139 PolarHBondContact O-N 3.23Å; I135-T139 PolarHBondContact O-OG1 2.89Å; I135-L163 HydrophobicContact CD1-CD1 3.61Å; I135-L163 HydrophobicContact CG1-CD1 4.46Å; I135-P333 HydrophobicContact CB-CG 4.46Å; I135-P333 HydrophobicContact CG2-CB 4.37Å; I135-P333 HydrophobicContact CG2-CG 3.7Å; I135-I385 HydrophobicContact CB-CD1 3.8Å; I135-I385 HydrophobicContact CB-CG1 4.47Å; I135-I385 HydrophobicContact CG1-CD1 4.21Å; I135-I385 HydrophobicContact CG2-CD1 3.79Å; I135-I385 HydrophobicContact CG2-CG1 3.92Å; I135-V387 HydrophobicContact CD1-CG1 4.29Å; I135-V387 HydrophobicContact CD1-CG2 4.39Å; I135-L396 HydrophobicContact CD1-CD2 3.79Å
136A91.4Very high89.5Confident20 Ų2047.5 Ų47.517%0.16524%0.241CC..Hα-helixtrans-65.6-42.517700000112.5L132 A133 Y134 K140 P333L132-A136 VanDerWaalsContact O-CB 3.3Å; L132-A136 WeakPolarHBondContact O-CB 3.36Å; L132-A136 PolarHBondContact O-N 2.95Å; A133-A136 PolarHBondContact O-N 2.83Å; Y134-A136 VanDerWaalsContact C-N 3.35Å; Y134-A136 PolarHBondContact O-N 3.12Å; A136-K140 WeakPolarHBondContact O-CG 3.41Å; A136-K140 PolarHBondContact O-N 2.85Å; A136-P333 HydrophobicContact CB-CG 4.29Å
137I90.1Very high88.5Confident20 Ų2047.8 Ų47.810%0.10325%0.245CC..Hα-helixtrans-64.9-49175.9-69.1155.8000110A133 Y134 T139 K140 L141 I155 L180 L181 I184A133-I137 WeakPolarHBondContact O-CB 3.39Å; A133-I137 WeakPolarHBondContact O-CD1 3.3Å; A133-I137 VanDerWaalsContact O-CG1 3.29Å; A133-I137 WeakPolarHBondContact O-CG1 3.31Å; A133-I137 PolarHBondContact O-N 3.39Å; Y134-I137 PolarHBondContact O-N 3.05Å; I137-T139 VanDerWaalsContact C-N 3.29Å; I137-T139 PolarHBondContact O-N 2.93Å; I137-K140 PolarHBondContact O-N 3.36Å; I137-K140 VanDerWaalsContact O-N 3.1Å; I137-L141 HydrophobicContact CG2-CD1 3.6Å; I137-L141 HydrophobicContact CG2-CG 4.02Å; I137-L141 WeakPolarHBondContact O-CB 3.44Å; I137-L141 WeakPolarHBondContact O-CG 3.5Å; I137-L141 PolarHBondContact O-N 3.25Å; I137-I155 HydrophobicContact CG2-CD1 4.23Å; I137-L180 HydrophobicContact CD1-CD1 4.26Å; I137-L180 HydrophobicContact CD1-CD2 3.39Å; I137-L180 HydrophobicContact CD1-CG 3.48Å; I137-L180 VanDerWaalsContact CD1-CG 3.48Å; I137-L181 HydrophobicContact CD1-CD2 3.92Å; I137-L181 HydrophobicContact CG1-CD2 4.47Å; I137-I184 HydrophobicContact CD1-CD1 3.35Å; I137-I184 HydrophobicContact CG1-CD1 3.86Å; I137-I184 HydrophobicContact CG2-CD1 4.05Å
138A91.2Very high87.7Confident3 Ų349.1 Ų49.13%0.02525%0.252CS..Hα-helixtrans-56.4-46.117800000111.3Y134 K140 L141 S142 F393 L396Y134-A138 WeakPolarHBondContact O-CB 3.38Å; Y134-A138 PolarHBondContact O-N 3.04Å; A138-K140 PolarHBondContact O-N 2.98Å; A138-L141 PolarHBondContact O-N 3.13Å; A138-S142 VanDerWaalsContact O-CB 3.31Å; A138-S142 WeakPolarHBondContact O-CB 3.47Å; A138-S142 PolarHBondContact O-N 3.36Å; A138-F393 VanDerWaalsContact CA-CZ 3.48Å; A138-F393 HydrophobicContact CB-CD1 4.12Å; A138-F393 HydrophobicContact CB-CD2 4Å; A138-F393 HydrophobicContact CB-CE1 3.98Å; A138-F393 HydrophobicContact CB-CE2 3.86Å; A138-F393 HydrophobicContact CB-CG 4.14Å; A138-F393 HydrophobicContact CB-CZ 3.87Å; A138-L396 HydrophobicContact CB-CD1 3.63Å
139T89.2Confident86.9Confident32 Ų3249.9 Ų49.920%0.19626%0.258CS..Hα-helixtrans-59.2-46.2175.9-58.70000111.7I135 I137 S142 F143 P333I135-T139 WeakPolarHBondContact O-CB 3.42Å; I135-T139 PolarHBondContact O-N 3.23Å; I135-T139 PolarHBondContact O-OG1 2.89Å; I137-T139 VanDerWaalsContact C-N 3.29Å; I137-T139 PolarHBondContact O-N 2.93Å; T139-S142 PolarHBondContact O-OG 2.87Å; T139-F143 HydrophobicContact CG2-CE2 4.18Å; T139-F143 WeakPolarHBondContact O-CD2 3.07Å; T139-F143 WeakPolarHBondContact O-CE2 3.4Å; T139-P333 HydrophobicContact CG2-CB 4.33Å
140K87.4Confident86.3Confident109 Ų10958.3 Ų58.347%0.47429%0.288SS..Hα-helixtrans-66.9-43.6180-76.3-179.5179.2179.20112.8A136 I137 A138A136-K140 WeakPolarHBondContact O-CG 3.41Å; A136-K140 PolarHBondContact O-N 2.85Å; I137-K140 PolarHBondContact O-N 3.36Å; I137-K140 VanDerWaalsContact O-N 3.1Å; A138-K140 PolarHBondContact O-N 2.98Å
141L87.6Confident85.8Confident23 Ų2359.9 Ų59.912%0.1230%0.298CS..Hα-helixtrans-72.1-30.7-177.7-66.8-176000112.3I137 A138 F143 M144 I148 I152 I155 F393I137-L141 HydrophobicContact CG2-CD1 3.6Å; I137-L141 HydrophobicContact CG2-CG 4.02Å; I137-L141 WeakPolarHBondContact O-CB 3.44Å; I137-L141 WeakPolarHBondContact O-CG 3.5Å; I137-L141 PolarHBondContact O-N 3.25Å; A138-L141 PolarHBondContact O-N 3.13Å; L141-F143 PolarHBondContact O-N 3.28Å; L141-F143 VanDerWaalsContact O-N 3.11Å; L141-M144 HydrophobicContact CD2-CE 4.08Å; L141-M144 HydrophobicContact CD2-SD 4.26Å; L141-M144 PolarHBondContact O-N 3.43Å; L141-I148 HydrophobicContact CB-CG2 4Å; L141-I148 HydrophobicContact CD1-CG2 4.44Å; L141-I148 HydrophobicContact CD2-CD1 4.09Å; L141-I148 HydrophobicContact CD2-CG2 3.9Å; L141-I148 HydrophobicContact CG-CG2 4.32Å; L141-I152 HydrophobicContact CB-CD1 4.34Å; L141-I152 HydrophobicContact CB-CG1 4.45Å; L141-I152 HydrophobicContact CD1-CG1 3.94Å; L141-I155 HydrophobicContact CD1-CD1 4.16Å; L141-F393 HydrophobicContact CB-CZ 4.02Å; L141-F393 HydrophobicContact CD1-CZ 4.15Å
142S81.7Confident85.4Confident48 Ų4860.5 Ų60.534%0.33630%0.301SS..Hα-helixtrans-57.8-25.3177.672.30000114A138 T139 D390A138-S142 VanDerWaalsContact O-CB 3.31Å; A138-S142 WeakPolarHBondContact O-CB 3.47Å; A138-S142 PolarHBondContact O-N 3.36Å; T139-S142 PolarHBondContact O-OG 2.87Å; S142-D390 VanDerWaalsContact CB-OD2 3.26Å; S142-D390 WeakPolarHBondContact CB-OD2 3.44Å
143F76.2Confident85Confident156 Ų15664.8 Ų64.868%0.68432%0.321SS*.THydrogen-bonded Turntrans-89.1-6.6177.5-66.4-70.2000114T139 L141T139-F143 HydrophobicContact CG2-CE2 4.18Å; T139-F143 WeakPolarHBondContact O-CD2 3.07Å; T139-F143 WeakPolarHBondContact O-CE2 3.4Å; L141-F143 PolarHBondContact O-N 3.28Å; L141-F143 VanDerWaalsContact O-N 3.11Å
144M80.4Confident84.7Confident96 Ų9669.3 Ų69.347%0.47334%0.341SS..SBendtrans-92.1149.2-173.8-61.1-158.4-157.400112.4L141 I148L141-M144 HydrophobicContact CD2-CE 4.08Å; L141-M144 HydrophobicContact CD2-SD 4.26Å; L141-M144 PolarHBondContact O-N 3.43Å; M144-I148 HydrophobicContact CB-CB 4.37Å; M144-I148 HydrophobicContact CB-CD1 3.34Å; M144-I148 HydrophobicContact CB-CG1 3.41Å; M144-I148 VanDerWaalsContact CB-CG1 3.41Å; M144-I148 HydrophobicContact CG-CD1 3.84Å; M144-I148 HydrophobicContact CG-CG1 4.43Å; M144-I148 HydrophobicContact SD-CD1 3.23Å; M144-I148 WeakPolarHBondContact SD-CD1 3.23Å; M144-I148 HydrophobicContact SD-CG1 4.35Å
145P77.6Confident84.4Confident103 Ų10369.2 Ų69.267%0.66934%0.341SS*.  trans-63.1166-179.4-23.234.2000114.9P147 I148P145-P147 WeakPolarHBondContact O-CD 3.32Å; P145-I148 WeakPolarHBondContact O-CB 3.49Å; P145-I148 WeakPolarHBondContact O-CG1 3.38Å; P145-I148 PolarHBondContact O-N 2.91Å
146W71.1Confident84.2Confident226 Ų22669.6 Ų69.686%0.85634%0.343SS*.G310 helixtrans-38-41.2-174.215062.3000119.5I148 S149W146-I148 PolarHBondContact O-N 3.35Å; W146-S149 PolarHBondContact O-N 3.25Å; W146-S149 VanDerWaalsContact O-N 3.11Å
147P76.3Confident84.1Confident91 Ų9175.4 Ų75.459%0.59137%0.367SS*.G310 helixtrans-61.2-10.8-17722.2-34.2000114.8P145 S149P145-P147 WeakPolarHBondContact O-CD 3.32Å; P147-S149 VanDerWaalsContact C-N 3.28Å; P147-S149 PolarHBondContact O-N 3.47Å
148I82.8Confident84.1Confident31 Ų3180.1 Ų80.116%0.15939%0.388CS..G310 helixtrans-70-21.2177.4-61-98.2000112.7L141 M144 P145 W146 R150 V151 I152L141-I148 HydrophobicContact CB-CG2 4Å; L141-I148 HydrophobicContact CD1-CG2 4.44Å; L141-I148 HydrophobicContact CD2-CD1 4.09Å; L141-I148 HydrophobicContact CD2-CG2 3.9Å; L141-I148 HydrophobicContact CG-CG2 4.32Å; M144-I148 HydrophobicContact CB-CB 4.37Å; M144-I148 HydrophobicContact CB-CD1 3.34Å; M144-I148 HydrophobicContact CB-CG1 3.41Å; M144-I148 VanDerWaalsContact CB-CG1 3.41Å; M144-I148 HydrophobicContact CG-CD1 3.84Å; M144-I148 HydrophobicContact CG-CG1 4.43Å; M144-I148 HydrophobicContact SD-CD1 3.23Å; M144-I148 WeakPolarHBondContact SD-CD1 3.23Å; M144-I148 HydrophobicContact SD-CG1 4.35Å; P145-I148 WeakPolarHBondContact O-CB 3.49Å; P145-I148 WeakPolarHBondContact O-CG1 3.38Å; P145-I148 PolarHBondContact O-N 2.91Å; W146-I148 PolarHBondContact O-N 3.35Å; I148-R150 PolarHBondContact O-N 3.47Å; I148-R150 VanDerWaalsContact O-N 3.13Å; I148-V151 WeakPolarHBondContact O-CB 3.24Å; I148-V151 PolarHBondContact O-N 2.92Å; I148-I152 HydrophobicContact CG2-CD1 3.88Å; I148-I152 HydrophobicContact CG2-CG1 3.99Å; I148-I152 PolarHBondContact O-N 3.31Å; I148-I152 VanDerWaalsContact O-N 3.1Å
149S81Confident84Confident46 Ų4680.6 Ų80.632%0.32239%0.389SS..Hα-helixtrans-55.9-36.2-176.472.40000112.5W146 P147 V151 I152 E153W146-S149 PolarHBondContact O-N 3.25Å; W146-S149 VanDerWaalsContact O-N 3.11Å; P147-S149 VanDerWaalsContact C-N 3.28Å; P147-S149 PolarHBondContact O-N 3.47Å; S149-V151 VanDerWaalsContact C-N 3.34Å; S149-V151 PolarHBondContact O-N 3.1Å; S149-I152 PolarHBondContact O-N 2.95Å; S149-E153 WeakPolarHBondContact O-CB 3.09Å; S149-E153 VanDerWaalsContact O-CG 3.28Å; S149-E153 WeakPolarHBondContact O-CG 3.28Å; S149-E153 PolarHBondContact O-N 2.82Å
150R84.1Confident83.7Confident185 Ų18585.7 Ų85.770%0.69841%0.411SS*.Hα-helixtrans-64.9-35.4176.2-68.5-172.4-179.1177.10.9113.3I148 Q154I148-R150 PolarHBondContact O-N 3.47Å; I148-R150 VanDerWaalsContact O-N 3.13Å; R150-Q154 WeakPolarHBondContact O-CG 3.41Å; R150-Q154 PolarHBondContact O-N 2.95Å
151V85.5Confident83.4Confident35 Ų3588.6 Ų88.621%0.21243%0.426CS..Hα-helixtrans-70.2-42.7177.1-179.80000109.5I148 S149 Q154 I155 F188I148-V151 WeakPolarHBondContact O-CB 3.24Å; I148-V151 PolarHBondContact O-N 2.92Å; S149-V151 VanDerWaalsContact C-N 3.34Å; S149-V151 PolarHBondContact O-N 3.1Å; V151-Q154 PolarHBondContact O-N 3.05Å; V151-I155 HydrophobicContact CG1-CD1 3.95Å; V151-I155 VanDerWaalsContact O-CG1 3.32Å; V151-I155 WeakPolarHBondContact O-CG1 3.31Å; V151-I155 PolarHBondContact O-N 3.14Å; V151-F188 HydrophobicContact CG1-CE1 4.17Å; V151-F188 HydrophobicContact CG1-CE2 4.15Å; V151-F188 HydrophobicContact CG1-CZ 3.95Å; V151-F188 HydrophobicContact CG2-CE1 4.05Å
152I86.2Confident83.5Confident13 Ų1388.7 Ų88.77%0.06743%0.425CS..Hα-helixtrans-61.3-46.9175.1-62.3173.5000110.4L141 I148 S149 Q154 I155 E156 N392 F393L141-I152 HydrophobicContact CB-CD1 4.34Å; L141-I152 HydrophobicContact CB-CG1 4.45Å; L141-I152 HydrophobicContact CD1-CG1 3.94Å; I148-I152 HydrophobicContact CG2-CD1 3.88Å; I148-I152 HydrophobicContact CG2-CG1 3.99Å; I148-I152 PolarHBondContact O-N 3.31Å; I148-I152 VanDerWaalsContact O-N 3.1Å; S149-I152 PolarHBondContact O-N 2.95Å; I152-Q154 VanDerWaalsContact C-N 3.34Å; I152-Q154 PolarHBondContact O-N 3.26Å; I152-I155 PolarHBondContact O-N 2.85Å; I152-E156 HydrophobicContact CG2-CG 4.07Å; I152-E156 WeakPolarHBondContact O-CB 3.48Å; I152-E156 VanDerWaalsContact O-CG 3.29Å; I152-E156 WeakPolarHBondContact O-CG 3.4Å; I152-E156 PolarHBondContact O-N 2.85Å; I152-N392 HydrophobicContact CD1-CB 4.32Å; I152-N392 WeakPolarHBondContact CG2-O 3.41Å; I152-F393 HydrophobicContact CB-CE1 4.38Å; I152-F393 HydrophobicContact CB-CZ 4.37Å; I152-F393 HydrophobicContact CD1-CE1 4.44Å; I152-F393 HydrophobicContact CD1-CE2 3.74Å; I152-F393 HydrophobicContact CD1-CZ 3.64Å; I152-F393 HydrophobicContact CG1-CE1 4.04Å; I152-F393 HydrophobicContact CG1-CE2 4.23Å; I152-F393 HydrophobicContact CG1-CZ 3.61Å; I152-F393 HydrophobicContact CG2-CD1 3.84Å; I152-F393 HydrophobicContact CG2-CE1 3.67Å; I152-F393 HydrophobicContact CG2-CE2 4.38Å; I152-F393 HydrophobicContact CG2-CG 4.27Å; I152-F393 HydrophobicContact CG2-CZ 3.93Å
153E85.2Confident84.1Confident118 Ų11886.4 Ų86.455%0.55141%0.409SS*.Hα-helixtrans-56.2-46.2176.5-76.4165.7-163.100111.7S149 E156 E157S149-E153 WeakPolarHBondContact O-CB 3.09Å; S149-E153 VanDerWaalsContact O-CG 3.28Å; S149-E153 WeakPolarHBondContact O-CG 3.28Å; S149-E153 PolarHBondContact O-N 2.82Å; E153-E156 PolarHBondContact O-N 3.46Å; E153-E157 VanDerWaalsContact O-CB 3.23Å; E153-E157 WeakPolarHBondContact O-CB 3.29Å; E153-E157 PolarHBondContact O-N 3.28Å
154Q86.2Confident85Confident95 Ų9580.5 Ų80.544%0.44438%0.383SS..Hα-helixtrans-64.3-41177-75.3179.5-1.600112.9R150 V151 I152 E157 H158R150-Q154 WeakPolarHBondContact O-CG 3.41Å; R150-Q154 PolarHBondContact O-N 2.95Å; V151-Q154 PolarHBondContact O-N 3.05Å; I152-Q154 VanDerWaalsContact C-N 3.34Å; I152-Q154 PolarHBondContact O-N 3.26Å; Q154-E157 PolarHBondContact O-N 3.2Å; Q154-H158 WeakPolarHBondContact O-CB 3.14Å; Q154-H158 PolarHBondContact O-N 3.35Å
155I88.4Confident85.7Confident1 Ų176.7 Ų76.71%0.00537%0.365CS..Hα-helixtrans-63.3-48.8176.1-71.8167.8000110.1I137 L141 V151 I152 E157 H158 F159 L180 F183 I184I137-I155 HydrophobicContact CG2-CD1 4.23Å; L141-I155 HydrophobicContact CD1-CD1 4.16Å; V151-I155 HydrophobicContact CG1-CD1 3.95Å; V151-I155 VanDerWaalsContact O-CG1 3.32Å; V151-I155 WeakPolarHBondContact O-CG1 3.31Å; V151-I155 PolarHBondContact O-N 3.14Å; I152-I155 PolarHBondContact O-N 2.85Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 3.46Å; I155-H158 PolarHBondContact O-N 2.92Å; I155-F159 HydrophobicContact CG2-CD2 4.5Å; I155-F159 WeakPolarHBondContact O-CB 3.44Å; I155-F159 PolarHBondContact O-N 2.92Å; I155-L180 HydrophobicContact CB-CD1 4.5Å; I155-L180 HydrophobicContact CD1-CD1 4.44Å; I155-L180 HydrophobicContact CG1-CD1 4.16Å; I155-L180 HydrophobicContact CG2-CD1 3.65Å; I155-F183 HydrophobicContact CG1-CE1 4.32Å; I155-I184 HydrophobicContact CD1-CD1 4.11Å; I155-I184 HydrophobicContact CD1-CG1 4.47Å
156E89.6Confident86.7Confident11 Ų1175.5 Ų75.55%0.05136%0.355CS..Hα-helixtrans-67.5-29.3-179-70.2-73.2105.100112.8Y134 I152 E153 H160 F393 K394 Q395Y134-E156 VanDerWaalsContact CE2-OE1 3.29Å; Y134-E156 WeakPolarHBondContact CE2-OE1 3.34Å; Y134-E156 VanDerWaalsContact CZ-OE1 3.32Å; Y134-E156 PolarHBondContact OH-OE1 2.88Å; I152-E156 HydrophobicContact CG2-CG 4.07Å; I152-E156 WeakPolarHBondContact O-CB 3.48Å; I152-E156 VanDerWaalsContact O-CG 3.29Å; I152-E156 WeakPolarHBondContact O-CG 3.4Å; I152-E156 PolarHBondContact O-N 2.85Å; E153-E156 PolarHBondContact O-N 3.46Å; E156-H160 PolarHBondContact O-CE1 2.84Å; E156-H160 PolarHBondContact O-ND1 2.8Å; E156-F393 HydrophobicContact CG-CD1 4.49Å; E156-K394 WeakPolarHBondContact OE2-CB 3.34Å; E156-K394 PolarHBondContact OE2-N 3.36Å; E156-Q395 PolarHBondContact OE1-NE2 3.12Å; E156-Q395 PolarHBondContact OE2-N 3.27Å
157E88.7Confident87.9Confident142 Ų14266.5 Ų66.566%0.66432%0.322SS*.Hα-helixtrans-75.2-38.8174.1-172.4175.5-167.200112.2E153 Q154 I155 H160E153-E157 VanDerWaalsContact O-CB 3.23Å; E153-E157 WeakPolarHBondContact O-CB 3.29Å; E153-E157 PolarHBondContact O-N 3.28Å; Q154-E157 PolarHBondContact O-N 3.2Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 3.46Å; E157-H160 PolarHBondContact O-CE1 3.22Å; E157-H160 PolarHBondContact O-NE2 3.35Å; E157-H160 VanDerWaalsContact O-NE2 3.13Å
158H89.9Confident89Confident119 Ų11963.5 Ų63.555%0.55130%0.302SS*.Hα-helixtrans-79.3-37.9179.7-164.585.4000112.9Q154 I155Q154-H158 WeakPolarHBondContact O-CB 3.14Å; Q154-H158 PolarHBondContact O-N 3.35Å; I155-H158 PolarHBondContact O-N 2.92Å
159F89.9Confident89.7Confident12 Ų1262 Ų625%0.05329%0.294CS..SBendtrans-112.264.2-173-68.5-80000111.8I155 Y162 E179 L180 F183 Q395I155-F159 HydrophobicContact CG2-CD2 4.5Å; I155-F159 WeakPolarHBondContact O-CB 3.44Å; I155-F159 PolarHBondContact O-N 2.92Å; F159-Y162 HydrophobicContact CB-CD1 4.42Å; F159-Y162 HydrophobicContact CB-CG 4.08Å; F159-Y162 HydrophobicContact CD1-CD1 4.07Å; F159-Y162 AromaticContact CD1-CD2 3.93Å; F159-Y162 HydrophobicContact CD1-CD2 3.93Å; F159-Y162 HydrophobicContact CD1-CE1 4.21Å; F159-Y162 HydrophobicContact CD1-CE2 4.09Å; F159-Y162 AromaticContact CD1-CG 3.92Å; F159-Y162 HydrophobicContact CD1-CG 3.92Å; F159-Y162 HydrophobicContact CE1-CE2 4.46Å; F159-Y162 HydrophobicContact CG-CD1 4.46Å; F159-Y162 HydrophobicContact CG-CG 4.38Å; F159-E179 HydrophobicContact CE1-CB 3.75Å; F159-E179 HydrophobicContact CZ-CB 4.29Å; F159-E179 WeakPolarHBondContact CZ-O 3.4Å; F159-L180 HydrophobicContact CD2-CB 4.49Å; F159-L180 HydrophobicContact CD2-CD1 3.7Å; F159-L180 HydrophobicContact CE1-CB 4.28Å; F159-L180 HydrophobicContact CE2-CB 4.24Å; F159-L180 HydrophobicContact CE2-CD1 3.7Å; F159-L180 HydrophobicContact CG-CD1 4.41Å; F159-L180 HydrophobicContact CZ-CB 4.14Å; F159-L180 HydrophobicContact CZ-CD1 4.44Å; F159-F183 HydrophobicContact CE2-CB 3.63Å; F159-F183 AromaticContact CE2-CD1 3.83Å; F159-F183 HydrophobicContact CE2-CD1 3.83Å; F159-F183 HydrophobicContact CE2-CD2 4.37Å; F159-F183 AromaticContact CE2-CG 3.7Å; F159-F183 HydrophobicContact CE2-CG 3.7Å; F159-F183 HydrophobicContact CZ-CB 3.69Å; F159-F183 HydrophobicContact CZ-CG 4.2Å; F159-Q395 PolarHBondContact O-NE2 3.28Å
160H81.6Confident90.5Very high139 Ų13963.2 Ų63.264%0.64430%0.297SS*.THydrogen-bonded Turntrans-63.1133.9171.8-61-41.2000110.9E156 E157 Y162E156-H160 PolarHBondContact O-CE1 2.84Å; E156-H160 PolarHBondContact O-ND1 2.8Å; E157-H160 PolarHBondContact O-CE1 3.22Å; E157-H160 PolarHBondContact O-NE2 3.35Å; E157-H160 VanDerWaalsContact O-NE2 3.13Å; H160-Y162 VanDerWaalsContact C-N 3.28Å; H160-Y162 PolarHBondContact O-N 3.42Å
161E80.6Confident91.1Very high170 Ų17057.4 Ų57.479%0.79428%0.278SS*.THydrogen-bonded Turntrans60.725.9177.5-54.4-176.4161.900115.8
162Y89.7Confident91.7Very high25 Ų2556.3 Ų56.310%0.09827%0.271CS..THydrogen-bonded Turntrans-86.2-2.9-176.2-154.2-113.1000115.5N131 F159 H160 F164 D178 E179 L180N131-Y162 VanDerWaalsContact CB-O 3.27Å; N131-Y162 WeakPolarHBondContact CB-O 3.35Å; N131-Y162 WeakPolarHBondContact ND2-CD1 3.19Å; N131-Y162 WeakPolarHBondContact ND2-CE1 3.33Å; F159-Y162 HydrophobicContact CB-CD1 4.42Å; F159-Y162 HydrophobicContact CB-CG 4.08Å; F159-Y162 HydrophobicContact CD1-CD1 4.07Å; F159-Y162 AromaticContact CD1-CD2 3.93Å; F159-Y162 HydrophobicContact CD1-CD2 3.93Å; F159-Y162 HydrophobicContact CD1-CE1 4.21Å; F159-Y162 HydrophobicContact CD1-CE2 4.09Å; F159-Y162 AromaticContact CD1-CG 3.92Å; F159-Y162 HydrophobicContact CD1-CG 3.92Å; F159-Y162 HydrophobicContact CE1-CE2 4.46Å; F159-Y162 HydrophobicContact CG-CD1 4.46Å; F159-Y162 HydrophobicContact CG-CG 4.38Å; H160-Y162 VanDerWaalsContact C-N 3.28Å; H160-Y162 PolarHBondContact O-N 3.42Å; Y162-F164 VanDerWaalsContact C-N 3.26Å; Y162-F164 PolarHBondContact O-N 3.24Å; Y162-D178 PolarHBondContact OH-OD2 2.99Å; Y162-E179 WeakPolarHBondContact OH-CB 3.49Å; Y162-E179 PolarHBondContact OH-N 3.42Å; Y162-L180 HydrophobicContact CD1-CB 4.12Å; Y162-L180 HydrophobicContact CD1-CD2 4.34Å; Y162-L180 HydrophobicContact CE1-CB 3.6Å; Y162-L180 HydrophobicContact CE1-CD2 4.47Å
163L94.4Very high92.2Very high0 Ų055.7 Ų55.70%027%0.268CS..THydrogen-bonded Turntrans-59.2-35.5178.7173.663.2000112.9Q73 V130 N131 Y134 I135 Q395 L396 L399Q73-L163 HydrophobicContact CG-CD2 4.07Å; V130-L163 CarbonylContact C-O 3.51Å; V130-L163 VanDerWaalsContact CA-O 3.26Å; V130-L163 WeakPolarHBondContact CA-O 3.32Å; N131-L163 PolarHBondContact N-O 2.93Å; Y134-L163 HydrophobicContact CD1-CD1 3.81Å; Y134-L163 HydrophobicContact CE1-CD1 3.93Å; I135-L163 HydrophobicContact CD1-CD1 3.61Å; I135-L163 HydrophobicContact CG1-CD1 4.46Å; L163-Q395 HydrophobicContact CB-CB 4.07Å; L163-Q395 HydrophobicContact CD2-CB 4.37Å; L163-Q395 WeakPolarHBondContact CD2-O 3.5Å; L163-L396 HydrophobicContact CD1-CD2 3.55Å; L163-L396 HydrophobicContact CD2-CD2 4.23Å; L163-L399 HydrophobicContact CD2-CD1 3.54Å
164F96.1Very high92.7Very high33 Ų3352.4 Ų52.415%0.14525%0.251CS..EExtended strand (participates in β ladder)trans-114139.8177.7-53-75.6000110.4L66 P69 F72 Q73 S129 V130 Y162L66-F164 HydrophobicContact CD2-CD1 3.59Å; L66-F164 HydrophobicContact CD2-CE1 3.46Å; L66-F164 VanDerWaalsContact CD2-CE1 3.46Å; L66-F164 HydrophobicContact CD2-CZ 4.44Å; P69-F164 HydrophobicContact CB-CB 4.25Å; P69-F164 HydrophobicContact CB-CD1 3.95Å; P69-F164 HydrophobicContact CB-CD2 3.74Å; P69-F164 HydrophobicContact CB-CE1 4.22Å; P69-F164 HydrophobicContact CB-CE2 4.02Å; P69-F164 HydrophobicContact CB-CG 3.69Å; P69-F164 HydrophobicContact CB-CZ 4.25Å; P69-F164 VanDerWaalsContact O-CE2 3.27Å; P69-F164 WeakPolarHBondContact O-CE2 3.46Å; P69-F164 VanDerWaalsContact O-CZ 3.31Å; P69-F164 WeakPolarHBondContact O-CZ 3.26Å; F72-F164 AromaticContact CD1-CE1 3.76Å; F72-F164 HydrophobicContact CD1-CE1 3.76Å; F72-F164 AromaticContact CD1-CZ 3.83Å; F72-F164 HydrophobicContact CD1-CZ 3.83Å; F72-F164 HydrophobicContact CE1-CE1 4.26Å; Q73-F164 HydrophobicContact CB-CE2 3.82Å; Q73-F164 HydrophobicContact CB-CZ 4.15Å; Q73-F164 HydrophobicContact CG-CE2 4.23Å; S129-F164 CarbonylContact O-C 3.55Å; S129-F164 VanDerWaalsContact O-CA 3.3Å; S129-F164 WeakPolarHBondContact O-CA 3.07Å; V130-F164 HydrophobicContact CG1-CD1 3.82Å; V130-F164 HydrophobicContact CG1-CE1 3.63Å; Y162-F164 VanDerWaalsContact C-N 3.26Å; Y162-F164 PolarHBondContact O-N 3.24Å
165I95.8Very high93.1Very high16 Ų1649 Ų498%0.08224%0.241CC..EExtended strand (participates in β ladder)trans-130.5150.7178.555171.2000109.8T128 S129 N131 K167 Y176T128-I165 WeakPolarHBondContact CA-O 3.3Å; S129-I165 PolarHBondContact N-O 2.86Å; S129-I165 PolarHBondContact O-N 3.12Å; N131-I165 HydrophobicContact CB-CD1 4.15Å; N131-I165 HydrophobicContact CB-CG1 4.15Å; N131-I165 HydrophobicContact CB-CG2 3.89Å; I165-K167 HydrophobicContact CD1-CG 3.96Å; I165-K167 HydrophobicContact CG1-CG 4.45Å; I165-Y176 WeakPolarHBondContact CD1-OH 3.26Å
166T97.4Very high93.5Very high77 Ų7749.7 Ų49.747%0.47224%0.243SC..EExtended strand (participates in β ladder)trans-114115.8169.5-60.60000107.9T126 I127 T128T126-T166 HydrophobicContact CG2-CG2 4.29Å; I127-T166 WeakPolarHBondContact O-CA 2.91Å; T128-T166 PolarHBondContact OG1-OG1 2.85Å
167K97.5Very high93.8Very high38 Ų3854.8 Ų54.817%0.16527%0.267CS..EExtended strand (participates in β ladder)trans-131.4156.3-179.2-66.2-65.5-179.5-179.50109.8T126 I127 I165 Q171 L172 Y176T126-K167 WeakPolarHBondContact CA-O 3.28Å; I127-K167 PolarHBondContact N-O 3.49Å; I127-K167 PolarHBondContact O-N 2.78Å; I127-K167 VanDerWaalsContact O-N 3.12Å; I165-K167 HydrophobicContact CD1-CG 3.96Å; I165-K167 HydrophobicContact CG1-CG 4.45Å; K167-Q171 HydrophobicContact CB-CB 4.11Å; K167-L172 HydrophobicContact CB-CD2 3.85Å; K167-L172 HydrophobicContact CB-CG 3.87Å; K167-L172 HydrophobicContact CG-CD2 4.43Å; K167-Y176 HydrophobicContact CD-CD1 4.46Å; K167-Y176 HydrophobicContact CD-CD2 4.23Å; K167-Y176 HydrophobicContact CD-CE2 4.34Å; K167-Y176 HydrophobicContact CD-CG 4.32Å; K167-Y176 HydrophobicContact CG-CD1 4.36Å; K167-Y176 HydrophobicContact CG-CE1 4.09Å
168T98.3Very high94Very high27 Ų2748 Ų4817%0.16624%0.236CC..EExtended strand (participates in β ladder)trans-73158.7176.369.40000111.3E123 D125 T126 N170 Q171 L172E123-T168 WeakPolarHBondContact O-CB 3.34Å; D125-T168 CarbonylContact O-C 3.54Å; D125-T168 WeakPolarHBondContact O-CA 3.3Å; T126-T168 HydrophobicContact CG2-CG2 4.18Å; T168-N170 PolarHBondContact O-N 3.2Å; T168-Q171 WeakPolarHBondContact O-CB 3.34Å; T168-Q171 PolarHBondContact O-N 3.45Å; T168-Q171 VanDerWaalsContact O-N 3.07Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.44Å; T168-Q171 PolarHBondContact OG1-N 3.09Å; T168-L172 PolarHBondContact O-N 3.12Å
169V98Very high94.2Very high0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-51.6-45.5172.1170.60000111.2F63 Y86 E123 D125 I127 Q171 L172 L173F63-V169 HydrophobicContact CD2-CG2 4.44Å; F63-V169 HydrophobicContact CE2-CG1 3.96Å; F63-V169 HydrophobicContact CE2-CG2 4.37Å; Y86-V169 HydrophobicContact CD1-CG1 4.1Å; Y86-V169 HydrophobicContact CD1-CG2 4.02Å; Y86-V169 HydrophobicContact CD2-CG1 4.35Å; Y86-V169 HydrophobicContact CD2-CG2 4.06Å; Y86-V169 HydrophobicContact CE1-CG2 3.7Å; Y86-V169 HydrophobicContact CE2-CG2 3.73Å; Y86-V169 HydrophobicContact CG-CG1 3.97Å; Y86-V169 HydrophobicContact CG-CG2 4.2Å; E123-V169 PolarHBondContact O-N 3.12Å; D125-V169 HydrophobicContact CB-CG2 4.27Å; D125-V169 PolarHBondContact O-N 2.68Å; I127-V169 HydrophobicContact CD1-CG2 3.48Å; I127-V169 VanDerWaalsContact CD1-CG2 3.48Å; I127-V169 HydrophobicContact CG1-CG2 4.47Å; V169-Q171 VanDerWaalsContact C-N 3.32Å; V169-Q171 PolarHBondContact O-N 3.03Å; V169-L172 PolarHBondContact O-N 2.7Å; V169-L173 HydrophobicContact CG1-CD1 3.81Å; V169-L173 HydrophobicContact CG1-CG 4.41Å; V169-L173 WeakPolarHBondContact O-CG 3.37Å; V169-L173 PolarHBondContact O-N 2.02Å
170N97.4Very high94.4Very high71 Ų7147.3 Ų47.338%0.3823%0.232SC..Hα-helixtrans-54.3-48.3176.1-17851.3000111.8E123 T168 W174E123-N170 HydrophobicContact CB-CB 4.01Å; E123-N170 WeakPolarHBondContact O-CB 3.42Å; E123-N170 PolarHBondContact O-N 3.01Å; T168-N170 PolarHBondContact O-N 3.2Å; N170-W174 WeakPolarHBondContact O-CB 3.49Å; N170-W174 PolarHBondContact O-N 3.44Å; N170-W174 VanDerWaalsContact OD1-CD1 3.23Å
171Q97.4Very high94.9Very high63 Ų6341.7 Ų41.729%0.29421%0.207SC..Hα-helixtrans-65.5-46-179.6-73.6174.2-32.900111.5K167 T168 V169 L173 G175 Y176K167-Q171 HydrophobicContact CB-CB 4.11Å; T168-Q171 WeakPolarHBondContact O-CB 3.34Å; T168-Q171 PolarHBondContact O-N 3.45Å; T168-Q171 VanDerWaalsContact O-N 3.07Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.44Å; T168-Q171 PolarHBondContact OG1-N 3.09Å; V169-Q171 VanDerWaalsContact C-N 3.32Å; V169-Q171 PolarHBondContact O-N 3.03Å; Q171-L173 PolarHBondContact O-N 2.79Å; Q171-G175 CarbonylContact O-C 3.56Å; Q171-G175 VanDerWaalsContact O-C 3.23Å; Q171-G175 WeakPolarHBondContact O-CA 3.13Å; Q171-G175 PolarHBondContact O-N 3.22Å; Q171-Y176 HydrophobicContact CB-CD1 4.02Å; Q171-Y176 HydrophobicContact CB-CG 4.34Å; Q171-Y176 WeakPolarHBondContact O-CD1 3.19Å
172L97Very high95.6Very high13 Ų1335 Ų357%0.06818%0.178CC..Hα-helixtrans-65-37.6-178.8-69.7175.1000112.8F63 I127 K167 T168 V169 Y176 L197F63-L172 HydrophobicContact CD1-CD1 4.26Å; F63-L172 HydrophobicContact CE1-CB 4.03Å; F63-L172 HydrophobicContact CE1-CD1 4.05Å; F63-L172 HydrophobicContact CZ-CB 4.31Å; I127-L172 HydrophobicContact CB-CD1 3.7Å; I127-L172 HydrophobicContact CD1-CD1 3.82Å; I127-L172 HydrophobicContact CG1-CD1 4.41Å; I127-L172 HydrophobicContact CG2-CD1 3.98Å; K167-L172 HydrophobicContact CB-CD2 3.85Å; K167-L172 HydrophobicContact CB-CG 3.87Å; K167-L172 HydrophobicContact CG-CD2 4.43Å; T168-L172 PolarHBondContact O-N 3.12Å; V169-L172 PolarHBondContact O-N 2.7Å; L172-Y176 HydrophobicContact CD2-CE1 4.45Å; L172-L197 PolarHBondContact O-N 2.78Å
173L96.9Very high95.7Very high0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-77.1-60.6178.5-69.9176.2000112F61 F63 Y88 V169 Q171 F198 M407F61-L173 HydrophobicContact CD1-CD2 3.69Å; F61-L173 HydrophobicContact CD2-CD1 3.66Å; F61-L173 HydrophobicContact CD2-CD2 4.12Å; F61-L173 HydrophobicContact CE1-CD2 3.79Å; F61-L173 HydrophobicContact CE2-CD1 3.88Å; F61-L173 HydrophobicContact CE2-CD2 4.2Å; F61-L173 HydrophobicContact CG-CD1 4.09Å; F61-L173 HydrophobicContact CG-CD2 3.86Å; F61-L173 HydrophobicContact CZ-CD1 4.5Å; F61-L173 HydrophobicContact CZ-CD2 4.04Å; F63-L173 HydrophobicContact CE2-CD1 4.45Å; F63-L173 HydrophobicContact CE2-CD2 4.28Å; F63-L173 HydrophobicContact CE2-CG 4.29Å; F63-L173 HydrophobicContact CZ-CD1 4.44Å; F63-L173 HydrophobicContact CZ-CD2 3.66Å; F63-L173 HydrophobicContact CZ-CG 3.79Å; Y88-L173 HydrophobicContact CE2-CD1 3.72Å; V169-L173 HydrophobicContact CG1-CD1 3.81Å; V169-L173 HydrophobicContact CG1-CG 4.41Å; V169-L173 WeakPolarHBondContact O-CG 3.37Å; V169-L173 PolarHBondContact O-N 2.02Å; Q171-L173 PolarHBondContact O-N 2.79Å; L173-F198 HydrophobicContact CD2-CD2 4.34Å; L173-F198 CarbonylContact O-C 3.51Å; L173-F198 VanDerWaalsContact O-CA 3.29Å; L173-F198 WeakPolarHBondContact O-CA 3.47Å; L173-F198 WeakPolarHBondContact O-CB 3.31Å; L173-F198 PolarHBondContact O-N 3.04Å; L173-M407 HydrophobicContact CD2-CE 4.1Å; L173-M407 HydrophobicContact CD2-SD 3.99Å
174W96.1Very high95.5Very high49 Ų4935.7 Ų35.719%0.18618%0.182CC..Hα-helixtrans-93.1-16.9-164.9-52117.3000113.6Y88 Y112 N170 F198 N202Y88-W174 AromaticContact CD1-CZ2 3.9Å; Y88-W174 HydrophobicContact CD1-CZ2 3.9Å; Y88-W174 AromaticContact CE1-CE2 3.98Å; Y88-W174 AromaticContact CE1-CZ2 3.58Å; Y88-W174 HydrophobicContact CE1-CZ2 3.58Å; Y88-W174 AromaticContact CE1-NE1 3.75Å; Y88-W174 HydrophobicContact CE2-CZ2 4.45Å; Y88-W174 HydrophobicContact CG-CZ2 4.48Å; Y88-W174 AromaticContact CZ-CZ2 3.89Å; Y88-W174 AromaticContact CZ-NE1 3.79Å; Y88-W174 PolarHBondContact OH-NE1 3.04Å; Y112-W174 HydrophobicContact CD1-CH2 4.26Å; Y112-W174 AromaticContact CD2-CH2 3.51Å; Y112-W174 HydrophobicContact CD2-CH2 3.51Å; Y112-W174 AromaticContact CD2-CZ3 3.77Å; Y112-W174 HydrophobicContact CD2-CZ3 3.77Å; Y112-W174 HydrophobicContact CE2-CH2 4.27Å; Y112-W174 HydrophobicContact CE2-CZ3 4.29Å; Y112-W174 AromaticContact CG-CH2 3.5Å; Y112-W174 HydrophobicContact CG-CH2 3.5Å; Y112-W174 VanDerWaalsContact CG-CH2 3.5Å; Y112-W174 HydrophobicContact CG-CZ2 4.32Å; Y112-W174 HydrophobicContact CG-CZ3 4.24Å; N170-W174 WeakPolarHBondContact O-CB 3.49Å; N170-W174 PolarHBondContact O-N 3.44Å; N170-W174 VanDerWaalsContact OD1-CD1 3.23Å; W174-F198 HydrophobicContact CE3-CB 4.13Å; W174-F198 HydrophobicContact CZ3-CB 3.85Å; W174-N202 HydrophobicContact CE3-CB 4.09Å; W174-N202 HydrophobicContact CZ3-CB 3.91Å
175G95Very high95.4Very high23 Ų2335.2 Ų35.224%0.23718%0.183CC..  trans119.4155.6168.800000113.6Q171 I195Q171-G175 CarbonylContact O-C 3.56Å; Q171-G175 VanDerWaalsContact O-C 3.23Å; Q171-G175 WeakPolarHBondContact O-CA 3.13Å; Q171-G175 PolarHBondContact O-N 3.22Å; G175-I195 CarbonylContact C-O 3.53Å; G175-I195 WeakPolarHBondContact CA-O 3.36Å
176Y95.6Very high95.2Very high16 Ų1640.2 Ų40.26%0.06321%0.21CC..EExtended strand (participates in β ladder)trans-141.8157.9170.164.6-84.2000109.2I165 K167 Q171 L172 D178 N194 I195I165-Y176 WeakPolarHBondContact CD1-OH 3.26Å; K167-Y176 HydrophobicContact CD-CD1 4.46Å; K167-Y176 HydrophobicContact CD-CD2 4.23Å; K167-Y176 HydrophobicContact CD-CE2 4.34Å; K167-Y176 HydrophobicContact CD-CG 4.32Å; K167-Y176 HydrophobicContact CG-CD1 4.36Å; K167-Y176 HydrophobicContact CG-CE1 4.09Å; Q171-Y176 HydrophobicContact CB-CD1 4.02Å; Q171-Y176 HydrophobicContact CB-CG 4.34Å; Q171-Y176 WeakPolarHBondContact O-CD1 3.19Å; L172-Y176 HydrophobicContact CD2-CE1 4.45Å; Y176-D178 HydrophobicContact CE2-CB 3.96Å; Y176-D178 PolarHBondContact O-N 3.32Å; Y176-N194 WeakPolarHBondContact O-CA 3.48Å; Y176-I195 HydrophobicContact CD1-CG2 4.29Å; Y176-I195 HydrophobicContact CD2-CG2 4.41Å; Y176-I195 HydrophobicContact CE1-CG2 3.69Å; Y176-I195 HydrophobicContact CE2-CG2 3.81Å; Y176-I195 PolarHBondContact N-O 2.82Å; Y176-I195 PolarHBondContact O-N 3.39Å; Y176-I195 WeakPolarHBondContact OH-CG2 3.28Å
177E95.6Very high94.8Very high118 Ų11842.4 Ų42.455%0.55121%0.214SC*.EExtended strand (participates in β ladder)trans-74.7118.1172.2-172.4176177.200109.3T182 N194E177-T182 WeakPolarHBondContact CG-OG1 3.45Å; E177-T182 PolarHBondContact OE1-OG1 3.5Å; E177-N194 WeakPolarHBondContact CA-OD1 3.46Å
178D94.5Very high94.3Very high0 Ų044.5 Ų44.50%022%0.223CC..  trans-89.6126.7179.9-177-92.7000110.9N131 A133 Y162 Y176 L180 L181 T182 T193 I195N131-D178 PolarHBondContact ND2-OD2 3.09Å; N131-D178 PolarHBondContact OD1-OD2 3.34Å; A133-D178 HydrophobicContact CB-CB 4.39Å; A133-D178 WeakPolarHBondContact CB-OD1 3.42Å; Y162-D178 PolarHBondContact OH-OD2 2.99Å; Y176-D178 HydrophobicContact CE2-CB 3.96Å; Y176-D178 PolarHBondContact O-N 3.32Å; D178-L180 VanDerWaalsContact C-N 3.3Å; D178-L180 PolarHBondContact O-N 2.93Å; D178-L180 WeakPolarHBondContact OD1-CB 3.13Å; D178-L180 PolarHBondContact OD1-N 2.94Å; D178-L180 VanDerWaalsContact OD1-N 3.13Å; D178-L181 HydrophobicContact CB-CB 4.2Å; D178-L181 HydrophobicContact CB-CD1 4.02Å; D178-L181 HydrophobicContact CB-CG 4.07Å; D178-L181 PolarHBondContact O-N 2.96Å; D178-L181 PolarHBondContact OD1-N 3.27Å; D178-T182 PolarHBondContact O-N 3.26Å; D178-T182 PolarHBondContact O-OG1 3.05Å; D178-T193 PolarHBondContact N-O 3.31Å; D178-I195 HydrophobicContact CB-CG2 3.83Å
179E94.1Very high93.8Very high115 Ų11548.1 Ų48.154%0.53724%0.241SC..Hα-helixtrans-65.3-35.2-172.6-59.4170-173.800111.7F159 Y162 T182 F183F159-E179 HydrophobicContact CE1-CB 3.75Å; F159-E179 HydrophobicContact CZ-CB 4.29Å; F159-E179 WeakPolarHBondContact CZ-O 3.4Å; Y162-E179 WeakPolarHBondContact OH-CB 3.49Å; Y162-E179 PolarHBondContact OH-N 3.42Å; E179-T182 PolarHBondContact O-N 2.84Å; E179-F183 WeakPolarHBondContact O-CB 3.32Å; E179-F183 PolarHBondContact O-N 3.01Å
180L92.7Very high93.6Very high0 Ų055.5 Ų55.50%028%0.28CS..Hα-helixtrans-70-42.4177.3171.762.6000111.4Y134 I137 I155 F159 Y162 D178 T182 F183 I184Y134-L180 HydrophobicContact CD2-CD2 3.86Å; Y134-L180 HydrophobicContact CG-CD2 4.37Å; I137-L180 HydrophobicContact CD1-CD1 4.26Å; I137-L180 HydrophobicContact CD1-CD2 3.39Å; I137-L180 HydrophobicContact CD1-CG 3.48Å; I137-L180 VanDerWaalsContact CD1-CG 3.48Å; I155-L180 HydrophobicContact CB-CD1 4.5Å; I155-L180 HydrophobicContact CD1-CD1 4.44Å; I155-L180 HydrophobicContact CG1-CD1 4.16Å; I155-L180 HydrophobicContact CG2-CD1 3.65Å; F159-L180 HydrophobicContact CD2-CB 4.49Å; F159-L180 HydrophobicContact CD2-CD1 3.7Å; F159-L180 HydrophobicContact CE1-CB 4.28Å; F159-L180 HydrophobicContact CE2-CB 4.24Å; F159-L180 HydrophobicContact CE2-CD1 3.7Å; F159-L180 HydrophobicContact CG-CD1 4.41Å; F159-L180 HydrophobicContact CZ-CB 4.14Å; F159-L180 HydrophobicContact CZ-CD1 4.44Å; Y162-L180 HydrophobicContact CD1-CB 4.12Å; Y162-L180 HydrophobicContact CD1-CD2 4.34Å; Y162-L180 HydrophobicContact CE1-CB 3.6Å; Y162-L180 HydrophobicContact CE1-CD2 4.47Å; D178-L180 VanDerWaalsContact C-N 3.3Å; D178-L180 PolarHBondContact O-N 2.93Å; D178-L180 WeakPolarHBondContact OD1-CB 3.13Å; D178-L180 PolarHBondContact OD1-N 2.94Å; D178-L180 VanDerWaalsContact OD1-N 3.13Å; L180-T182 VanDerWaalsContact C-N 3.34Å; L180-F183 PolarHBondContact O-N 3Å; L180-I184 HydrophobicContact CD1-CD1 4.04Å; L180-I184 HydrophobicContact CD1-CG1 4.3Å; L180-I184 HydrophobicContact CG-CD1 4.3Å; L180-I184 WeakPolarHBondContact O-CG1 3.29Å; L180-I184 PolarHBondContact O-N 3.42Å
181L92.9Very high93.2Very high22 Ų2254.7 Ų54.712%0.11528%0.275CS..Hα-helixtrans-64-39.8173.3-63.6177.9000111.8A133 I137 D178 I184 S185 I191 I195A133-L181 HydrophobicContact CB-CD1 3.9Å; A133-L181 HydrophobicContact CB-CD2 4.04Å; A133-L181 HydrophobicContact CB-CG 3.7Å; I137-L181 HydrophobicContact CD1-CD2 3.92Å; I137-L181 HydrophobicContact CG1-CD2 4.47Å; D178-L181 HydrophobicContact CB-CB 4.2Å; D178-L181 HydrophobicContact CB-CD1 4.02Å; D178-L181 HydrophobicContact CB-CG 4.07Å; D178-L181 PolarHBondContact O-N 2.96Å; D178-L181 PolarHBondContact OD1-N 3.27Å; L181-I184 PolarHBondContact O-N 2.77Å; L181-S185 VanDerWaalsContact O-CB 3.3Å; L181-S185 WeakPolarHBondContact O-CB 3.16Å; L181-S185 PolarHBondContact O-N 2.71Å; L181-I191 HydrophobicContact CD2-CD1 3.9Å; L181-I195 HydrophobicContact CD1-CB 4.2Å
182T94.5Very high92.9Very high28 Ų2855.9 Ų55.917%0.17229%0.291CS..Hα-helixtrans-62.7-43.3174.7-65.70000111.7E177 D178 E179 L180 I184 S185 N186 T193E177-T182 WeakPolarHBondContact CG-OG1 3.45Å; E177-T182 PolarHBondContact OE1-OG1 3.5Å; D178-T182 PolarHBondContact O-N 3.26Å; D178-T182 PolarHBondContact O-OG1 3.05Å; E179-T182 PolarHBondContact O-N 2.84Å; L180-T182 VanDerWaalsContact C-N 3.34Å; T182-I184 PolarHBondContact O-N 3.13Å; T182-S185 PolarHBondContact O-N 3.4Å; T182-N186 WeakPolarHBondContact O-CB 3.4Å; T182-N186 VanDerWaalsContact O-CG 3.27Å; T182-N186 PolarHBondContact O-N 2.99Å; T182-N186 PolarHBondContact O-ND2 2.88Å; T182-T193 WeakPolarHBondContact OG1-CB 3.45Å; T182-T193 WeakPolarHBondContact OG1-CG2 3.36Å
183F92.4Very high92.7Very high27 Ų2756.8 Ų56.812%0.11830%0.297CS..Hα-helixtrans-58.9-46.8173.9175.3-100.2000111.7I155 F159 E179 L180 S185 N186 H187 F188I155-F183 HydrophobicContact CG1-CE1 4.32Å; F159-F183 HydrophobicContact CE2-CB 3.63Å; F159-F183 AromaticContact CE2-CD1 3.83Å; F159-F183 HydrophobicContact CE2-CD1 3.83Å; F159-F183 HydrophobicContact CE2-CD2 4.37Å; F159-F183 AromaticContact CE2-CG 3.7Å; F159-F183 HydrophobicContact CE2-CG 3.7Å; F159-F183 HydrophobicContact CZ-CB 3.69Å; F159-F183 HydrophobicContact CZ-CG 4.2Å; E179-F183 WeakPolarHBondContact O-CB 3.32Å; E179-F183 PolarHBondContact O-N 3.01Å; L180-F183 PolarHBondContact O-N 3Å; F183-S185 VanDerWaalsContact C-N 3.35Å; F183-S185 PolarHBondContact O-N 2.88Å; F183-N186 PolarHBondContact O-N 3.46Å; F183-H187 AromaticContact CD2-CE1 3.53Å; F183-H187 AromaticContact CD2-ND1 3.43Å; F183-H187 WeakPolarHBondContact CD2-ND1 3.49Å; F183-H187 AromaticContact CE2-CE1 3.6Å; F183-H187 AromaticContact CE2-ND1 3.57Å; F183-H187 AromaticContact CG-ND1 3.98Å; F183-H187 PolarHBondContact O-N 3.31Å; F183-H187 VanDerWaalsContact O-N 3.12Å; F183-H187 PolarHBondContact O-ND1 3.38Å; F183-F188 HydrophobicContact CD1-CE2 4.32Å; F183-F188 AromaticContact CE1-CE2 3.72Å; F183-F188 HydrophobicContact CE1-CE2 3.72Å; F183-F188 HydrophobicContact CE1-CZ 4.41Å; F183-F188 HydrophobicContact CZ-CE2 4.36Å
184I90.6Very high92.6Very high13 Ų1360.8 Ų60.87%0.06732%0.318CS..Hα-helixtrans-65.8-40.2179.4-69.5174.1000111.8I137 I155 L180 L181 T182 N186 H187 F188 I189 I191I137-I184 HydrophobicContact CD1-CD1 3.35Å; I137-I184 HydrophobicContact CG1-CD1 3.86Å; I137-I184 HydrophobicContact CG2-CD1 4.05Å; I155-I184 HydrophobicContact CD1-CD1 4.11Å; I155-I184 HydrophobicContact CD1-CG1 4.47Å; L180-I184 HydrophobicContact CD1-CD1 4.04Å; L180-I184 HydrophobicContact CD1-CG1 4.3Å; L180-I184 HydrophobicContact CG-CD1 4.3Å; L180-I184 WeakPolarHBondContact O-CG1 3.29Å; L180-I184 PolarHBondContact O-N 3.42Å; L181-I184 PolarHBondContact O-N 2.77Å; T182-I184 PolarHBondContact O-N 3.13Å; I184-N186 VanDerWaalsContact C-N 3.3Å; I184-N186 PolarHBondContact O-N 3.04Å; I184-H187 PolarHBondContact O-N 2.71Å; I184-F188 HydrophobicContact CB-CD2 4.45Å; I184-F188 HydrophobicContact CG1-CD2 4.31Å; I184-F188 HydrophobicContact CG2-CB 4.48Å; I184-F188 HydrophobicContact CG2-CD2 4.39Å; I184-F188 PolarHBondContact O-N 2.93Å; I184-I189 HydrophobicContact CG2-CD1 4.43Å; I184-I189 HydrophobicContact CG2-CG1 3.8Å; I184-I189 PolarHBondContact O-N 3.28Å; I184-I189 VanDerWaalsContact O-N 3.16Å; I184-I191 HydrophobicContact CB-CD1 4.18Å; I184-I191 HydrophobicContact CG2-CD1 3.71Å; I184-I191 HydrophobicContact CG2-CG1 4.49Å
185S92.7Very high92.4Very high23 Ų2359.9 Ų59.916%0.16132%0.317CS..Hα-helixtrans-58.7-42.9178.3-159.80000112.3L181 T182 F183 I189 I191L181-S185 VanDerWaalsContact O-CB 3.3Å; L181-S185 WeakPolarHBondContact O-CB 3.16Å; L181-S185 PolarHBondContact O-N 2.71Å; T182-S185 PolarHBondContact O-N 3.4Å; F183-S185 VanDerWaalsContact C-N 3.35Å; F183-S185 PolarHBondContact O-N 2.88Å; S185-I189 WeakPolarHBondContact CA-O 3.38Å; S185-I191 PolarHBondContact OG-N 2.87Å; S185-I191 PolarHBondContact OG-O 2.94Å; S185-I191 VanDerWaalsContact OG-O 3.04Å
186N93Very high92.3Very high121 Ų12159.4 Ų59.465%0.64731%0.312SS*.Hα-helixtrans-78-29.8-177.2-68.9-21.6000114.1T182 F183 I184T182-N186 WeakPolarHBondContact O-CB 3.4Å; T182-N186 VanDerWaalsContact O-CG 3.27Å; T182-N186 PolarHBondContact O-N 2.99Å; T182-N186 PolarHBondContact O-ND2 2.88Å; F183-N186 PolarHBondContact O-N 3.46Å; I184-N186 VanDerWaalsContact C-N 3.3Å; I184-N186 PolarHBondContact O-N 3.04Å
187H89.1Confident92.2Very high124 Ų12460.1 Ų60.157%0.57432%0.316SS*.Hα-helixtrans-108.4-25.6-170.7-63.688.1000115F183 I184F183-H187 AromaticContact CD2-CE1 3.53Å; F183-H187 AromaticContact CD2-ND1 3.43Å; F183-H187 WeakPolarHBondContact CD2-ND1 3.49Å; F183-H187 AromaticContact CE2-CE1 3.6Å; F183-H187 AromaticContact CE2-ND1 3.57Å; F183-H187 AromaticContact CG-ND1 3.98Å; F183-H187 PolarHBondContact O-N 3.31Å; F183-H187 VanDerWaalsContact O-N 3.12Å; F183-H187 PolarHBondContact O-ND1 3.38Å; I184-H187 PolarHBondContact O-N 2.71Å
188F86.2Confident92.1Very high81 Ų8155.8 Ų55.836%0.35530%0.296SS..THydrogen-bonded Turntrans-125.8-57.8-171.8-55.2-74000113.4V151 F183 I184V151-F188 HydrophobicContact CG1-CE1 4.17Å; V151-F188 HydrophobicContact CG1-CE2 4.15Å; V151-F188 HydrophobicContact CG1-CZ 3.95Å; V151-F188 HydrophobicContact CG2-CE1 4.05Å; F183-F188 HydrophobicContact CD1-CE2 4.32Å; F183-F188 AromaticContact CE1-CE2 3.72Å; F183-F188 HydrophobicContact CE1-CE2 3.72Å; F183-F188 HydrophobicContact CE1-CZ 4.41Å; F183-F188 HydrophobicContact CZ-CE2 4.36Å; I184-F188 HydrophobicContact CB-CD2 4.45Å; I184-F188 HydrophobicContact CG1-CD2 4.31Å; I184-F188 HydrophobicContact CG2-CB 4.48Å; I184-F188 HydrophobicContact CG2-CD2 4.39Å; I184-F188 PolarHBondContact O-N 2.93Å
189I88.9Confident91.9Very high104 Ų10458 Ų5853%0.53331%0.307SS..  trans-147.2132.6-171.551.5165.9000111.1I184 S185 I191I184-I189 HydrophobicContact CG2-CD1 4.43Å; I184-I189 HydrophobicContact CG2-CG1 3.8Å; I184-I189 PolarHBondContact O-N 3.28Å; I184-I189 VanDerWaalsContact O-N 3.16Å; S185-I189 WeakPolarHBondContact CA-O 3.38Å; I189-I191 HydrophobicContact CB-CG2 4.45Å; I189-I191 HydrophobicContact CD1-CG2 3.64Å; I189-I191 HydrophobicContact CG1-CG2 3.87Å; I189-I191 PolarHBondContact O-N 3.07Å; I189-I191 VanDerWaalsContact O-N 3.09Å
190N92.2Very high91.8Very high154 Ų15458.3 Ų58.382%0.82431%0.312SS*.  trans-65.9112.8175.8-175.26.1000111
191I90.1Very high91.8Very high54 Ų5463.3 Ų63.328%0.27733%0.334SS..  trans-137.6160.8-179.660.3172.8000111L181 I184 S185 I189 T193L181-I191 HydrophobicContact CD2-CD1 3.9Å; I184-I191 HydrophobicContact CB-CD1 4.18Å; I184-I191 HydrophobicContact CG2-CD1 3.71Å; I184-I191 HydrophobicContact CG2-CG1 4.49Å; S185-I191 PolarHBondContact OG-N 2.87Å; S185-I191 PolarHBondContact OG-O 2.94Å; S185-I191 VanDerWaalsContact OG-O 3.04Å; I189-I191 HydrophobicContact CB-CG2 4.45Å; I189-I191 HydrophobicContact CD1-CG2 3.64Å; I189-I191 HydrophobicContact CG1-CG2 3.87Å; I189-I191 PolarHBondContact O-N 3.07Å; I189-I191 VanDerWaalsContact O-N 3.09Å; I191-T193 PolarHBondContact O-N 3.39Å
192S90.7Very high91.9Very high89 Ų8965.2 Ų65.262%0.62235%0.345SS*.  trans-63.6131.5170.2-178.80000110.4
193T93.5Very high91.9Very high31 Ų3168.7 Ų68.719%0.1936%0.362CS..  trans-97.1-18.7-179.559.40000113.1D178 T182 I191D178-T193 PolarHBondContact N-O 3.31Å; T182-T193 WeakPolarHBondContact OG1-CB 3.45Å; T182-T193 WeakPolarHBondContact OG1-CG2 3.36Å; I191-T193 PolarHBondContact O-N 3.39Å
194N93.2Very high92Very high84 Ų8470.1 Ų70.145%0.44937%0.373SS..EExtended strand (participates in β ladder)trans-79.9130.7176.2-71.7-22.1000110.9Y176 E177 I199Y176-N194 WeakPolarHBondContact O-CA 3.48Å; E177-N194 WeakPolarHBondContact CA-OD1 3.46Å; N194-I199 HydrophobicContact CB-CD1 3.68Å; N194-I199 WeakPolarHBondContact O-CD1 3.48Å
195I92.4Very high92.1Very high30 Ų3072.7 Ų72.715%0.15439%0.391CS..EExtended strand (participates in β ladder)trans-128.5139176.8-166.9166.2000110.3L132 A133 G175 Y176 D178 L181L132-I195 HydrophobicContact CB-CD1 3.73Å; A133-I195 HydrophobicContact CB-CD1 3.84Å; G175-I195 CarbonylContact C-O 3.53Å; G175-I195 WeakPolarHBondContact CA-O 3.36Å; Y176-I195 HydrophobicContact CD1-CG2 4.29Å; Y176-I195 HydrophobicContact CD2-CG2 4.41Å; Y176-I195 HydrophobicContact CE1-CG2 3.69Å; Y176-I195 HydrophobicContact CE2-CG2 3.81Å; Y176-I195 PolarHBondContact N-O 2.82Å; Y176-I195 PolarHBondContact O-N 3.39Å; Y176-I195 WeakPolarHBondContact OH-CG2 3.28Å; D178-I195 HydrophobicContact CB-CG2 3.83Å; L181-I195 HydrophobicContact CD1-CB 4.2Å
196G92.8Very high92.1Very high13 Ų1373.7 Ų73.713%0.13440%0.398CS..  trans-171153.717700000110.9F198 I199G196-F198 VanDerWaalsContact C-N 3.32Å; G196-F198 PolarHBondContact O-N 3.09Å; G196-I199 WeakPolarHBondContact O-CG2 3.43Å
197L93.7Very high92Very high31 Ų3170.9 Ų70.916%0.16238%0.383CS..THydrogen-bonded Turntrans-70.6-30.9-176.8-65.2167.3000112.3F63 L132 L172 I383 I406 M407F63-L197 HydrophobicContact CE1-CD1 3.9Å; L132-L197 HydrophobicContact CD1-CD2 3.81Å; L132-L197 HydrophobicContact CD1-CG 4.35Å; L172-L197 PolarHBondContact O-N 2.78Å; L197-I383 HydrophobicContact CD2-CG2 4.36Å; L197-I406 HydrophobicContact CD1-CG2 3.85Å; L197-I406 HydrophobicContact CD2-CG2 4.32Å; L197-M407 HydrophobicContact CB-CE 3.7Å; L197-M407 HydrophobicContact CD1-CE 3.66Å; L197-M407 HydrophobicContact CD1-CG 4.12Å; L197-M407 HydrophobicContact CD1-SD 3.61Å; L197-M407 HydrophobicContact CG-CE 4.2Å
198F93.7Very high92.4Very high28 Ų2870.2 Ų70.212%0.12338%0.376CS..THydrogen-bonded Turntrans-121.327.4179-86.2-113.2000111.4I59 F61 L173 W174 G196 N200 K201 M407 I409I59-F198 HydrophobicContact CD1-CE1 3.89Å; I59-F198 HydrophobicContact CD1-CZ 4.13Å; F61-F198 HydrophobicContact CE1-CD2 4.01Å; F61-F198 HydrophobicContact CE1-CE1 4.11Å; F61-F198 AromaticContact CE1-CE2 3.6Å; F61-F198 HydrophobicContact CE1-CE2 3.6Å; F61-F198 HydrophobicContact CE1-CG 4.47Å; F61-F198 AromaticContact CE1-CZ 3.65Å; F61-F198 HydrophobicContact CE1-CZ 3.65Å; F61-F198 HydrophobicContact CZ-CD1 4.28Å; F61-F198 HydrophobicContact CZ-CD2 4.44Å; F61-F198 HydrophobicContact CZ-CE1 4.09Å; F61-F198 HydrophobicContact CZ-CE2 4.29Å; F61-F198 HydrophobicContact CZ-CG 4.46Å; F61-F198 HydrophobicContact CZ-CZ 4.11Å; L173-F198 HydrophobicContact CD2-CD2 4.34Å; L173-F198 CarbonylContact O-C 3.51Å; L173-F198 VanDerWaalsContact O-CA 3.29Å; L173-F198 WeakPolarHBondContact O-CA 3.47Å; L173-F198 WeakPolarHBondContact O-CB 3.31Å; L173-F198 PolarHBondContact O-N 3.04Å; W174-F198 HydrophobicContact CE3-CB 4.13Å; W174-F198 HydrophobicContact CZ3-CB 3.85Å; G196-F198 VanDerWaalsContact C-N 3.32Å; G196-F198 PolarHBondContact O-N 3.09Å; F198-N200 PolarHBondContact O-N 3.4Å; F198-K201 HydrophobicContact CB-CB 4.29Å; F198-K201 HydrophobicContact CB-CG 4.23Å; F198-K201 HydrophobicContact CD1-CB 4.08Å; F198-K201 HydrophobicContact CD1-CG 4.1Å; F198-K201 HydrophobicContact CG-CG 4.41Å; F198-K201 VanDerWaalsContact O-CB 3.29Å; F198-K201 WeakPolarHBondContact O-CB 3.48Å; F198-K201 WeakPolarHBondContact O-CG 3.32Å; F198-K201 PolarHBondContact O-N 3.02Å; F198-K201 VanDerWaalsContact O-N 3.08Å; F198-M407 HydrophobicContact CD2-CE 3.8Å; F198-M407 HydrophobicContact CE2-CE 3.52Å; F198-I409 HydrophobicContact CE2-CD1 3.76Å; F198-I409 HydrophobicContact CE2-CG1 4.46Å; F198-I409 HydrophobicContact CZ-CD1 3.76Å; F198-I409 HydrophobicContact CZ-CG1 4.49Å
199I91.3Very high92.9Very high46 Ų4667 Ų6724%0.23636%0.363CS..THydrogen-bonded Turntrans-55.7135177.1-166.4169.3000110.6N194 G196 K201N194-I199 HydrophobicContact CB-CD1 3.68Å; N194-I199 WeakPolarHBondContact O-CD1 3.48Å; G196-I199 WeakPolarHBondContact O-CG2 3.43Å; I199-K201 PolarHBondContact O-N 3.05Å; I199-K201 VanDerWaalsContact O-N 3.13Å
200N90.3Very high93.3Very high121 Ų12162.9 Ų62.965%0.64734%0.343SS*.THydrogen-bonded Turntrans54.327.8-177.3-53.2-36.5000114.4F198 T204F198-N200 PolarHBondContact O-N 3.4Å; N200-T204 WeakPolarHBondContact O-CB 3.19Å; N200-T204 WeakPolarHBondContact O-CG2 3.35Å; N200-T204 PolarHBondContact O-OG1 3.19Å
201K92.9Very high93.6Very high106 Ų10655.7 Ų55.746%0.46130%0.304SS..THydrogen-bonded Turntrans-96.7-29.5170.9-62.1-61.4-174.4-1790112.8Y112 F198 I199Y112-K201 HydrophobicContact CE2-CB 4.35Å; F198-K201 HydrophobicContact CB-CB 4.29Å; F198-K201 HydrophobicContact CB-CG 4.23Å; F198-K201 HydrophobicContact CD1-CB 4.08Å; F198-K201 HydrophobicContact CD1-CG 4.1Å; F198-K201 HydrophobicContact CG-CG 4.41Å; F198-K201 VanDerWaalsContact O-CB 3.29Å; F198-K201 WeakPolarHBondContact O-CB 3.48Å; F198-K201 WeakPolarHBondContact O-CG 3.32Å; F198-K201 PolarHBondContact O-N 3.02Å; F198-K201 VanDerWaalsContact O-N 3.08Å; I199-K201 PolarHBondContact O-N 3.05Å; I199-K201 VanDerWaalsContact O-N 3.13Å
202N94.6Very high93.9Very high62 Ų6254.1 Ų54.133%0.33230%0.296SS..THydrogen-bonded Turntrans-80.6132.2177.9-163.88.1000110.3W111 Y112 W174 T204W111-N202 WeakPolarHBondContact CA-OD1 3.47Å; Y112-N202 HydrophobicContact CD2-CB 3.98Å; Y112-N202 PolarHBondContact N-OD1 3.13Å; W174-N202 HydrophobicContact CE3-CB 4.09Å; W174-N202 HydrophobicContact CZ3-CB 3.91Å; N202-T204 PolarHBondContact O-N 3.18Å; N202-T204 VanDerWaalsContact O-N 3.1Å; N202-T204 PolarHBondContact O-OG1 3.43Å; N202-T204 VanDerWaalsContact O-OG1 3.1Å
203N95.3Very high94Very high100 Ų10050.6 Ų50.654%0.53527%0.27SS..THydrogen-bonded Turntrans52.831.9178.1-16847.8000113.9K110 W111K110-N203 PolarHBondContact O-N 2.83Å; W111-N203 PolarHBondContact NE1-OD1 2.82Å
204T94Very high94Very high57 Ų5749.1 Ų49.135%0.3526%0.261SS..  trans-121.4127.2-178.5-57.50000109.7N200 N202N200-T204 WeakPolarHBondContact O-CB 3.19Å; N200-T204 WeakPolarHBondContact O-CG2 3.35Å; N200-T204 PolarHBondContact O-OG1 3.19Å; N202-T204 PolarHBondContact O-N 3.18Å; N202-T204 VanDerWaalsContact O-N 3.1Å; N202-T204 PolarHBondContact O-OG1 3.43Å; N202-T204 VanDerWaalsContact O-OG1 3.1Å
205P93.7Very high93.9Very high68 Ų6846.8 Ų46.844%0.44225%0.251SS..BIsolated β-bridgetrans-52.8134.3171.3-32.740.1000113.5F95F95-P205 HydrophobicContact CE1-CB 4.49Å; F95-P205 HydrophobicContact CZ-CB 3.74Å; F95-P205 HydrophobicContact CZ-CG 3.77Å
206S92Very high93.9Very high44 Ų4451.2 Ų51.231%0.30827%0.271SS..PPolyproline II helixtrans-69.8171.3166.776.50000111.6Q107 E108Q107-S206 PolarHBondContact NE2-O 3.01Å; E108-S206 PolarHBondContact N-OG 2.81Å; E108-S206 WeakPolarHBondContact O-CB 3.33Å; E108-S206 PolarHBondContact O-N 3.49Å; E108-S206 PolarHBondContact O-OG 2.7Å
207D92Very high93.8Very high61 Ų6153.5 Ų53.533%0.32628%0.281SS..PPolyproline II helixtrans-57.1158.7161.8-69.5-57.3000111.8Y227 H228D207-Y227 HydrophobicContact CB-CE2 4.21Å; D207-Y227 PolarHBondContact OD2-OH 3.36Å; D207-H228 HydrophobicContact CB-CB 4.34Å; D207-H228 IonicContact OD1-CE1 2.77Å; D207-H228 IonicContact OD1-CG 2.91Å; D207-H228 IonicContact OD1-ND1 2.71Å; D207-H228 PolarHBondContact OD1-ND1 2.67Å
208Y96.4Very high93.7Very high111 Ų11152.6 Ų52.644%0.43528%0.276SS..PPolyproline II helixtrans-67.4132170.2-74.7-83.8000110.9N96 T105 Y106 Q107 H228N96-Y208 HydrophobicContact CB-CE1 4.3Å; T105-Y208 HydrophobicContact CG2-CD1 4Å; Y106-Y208 WeakPolarHBondContact O-CA 3.33Å; Q107-Y208 HydrophobicContact CG-CD1 3.58Å; Q107-Y208 HydrophobicContact CG-CD2 4.19Å; Q107-Y208 HydrophobicContact CG-CE1 3.61Å; Q107-Y208 HydrophobicContact CG-CE2 4.2Å; Q107-Y208 HydrophobicContact CG-CG 3.89Å; Q107-Y208 VanDerWaalsContact OE1-CZ 3.29Å; Q107-Y208 PolarHBondContact OE1-OH 2.91Å; Y208-H228 PolarHBondContact O-N 3.45Å
209V97.1Very high93.7Very high14 Ų1457.9 Ų57.99%0.08530%0.299CS..EExtended strand (participates in β ladder)trans-121.7131.1174.7-171.10000108.6T105 Y106 I211 I224 Y227T105-V209 VanDerWaalsContact CA-O 3.31Å; T105-V209 WeakPolarHBondContact CA-O 3.13Å; Y106-V209 WeakPolarHBondContact CD1-O 3.33Å; Y106-V209 HydrophobicContact CE1-CB 4.2Å; Y106-V209 HydrophobicContact CE1-CG1 4.44Å; Y106-V209 HydrophobicContact CE2-CB 4.46Å; Y106-V209 PolarHBondContact N-O 2.75Å; Y106-V209 PolarHBondContact O-N 2.93Å; V209-I211 HydrophobicContact CG1-CG2 4Å; V209-I224 HydrophobicContact CG1-CD1 4.19Å; V209-I224 HydrophobicContact CG1-CG1 4.17Å; V209-I224 HydrophobicContact CG1-CG2 3.94Å; V209-Y227 HydrophobicContact CG2-CD2 4.01Å; V209-Y227 HydrophobicContact CG2-CE2 4.27Å
210T97.5Very high93.9Very high17 Ų1760.3 Ų60.310%0.10431%0.308CS..EExtended strand (participates in β ladder)trans-108.6123172.1-54.50000109I104 T105 I225 K226I104-T210 CarbonylContact O-C 3.57Å; I104-T210 WeakPolarHBondContact O-CA 3.5Å; T105-T210 WeakPolarHBondContact OG1-CG2 3.49Å; T105-T210 PolarHBondContact OG1-OG1 2.81Å; T210-I225 HydrophobicContact CG2-CB 4.29Å; T210-I225 HydrophobicContact CG2-CD1 4.44Å; T210-I225 PolarHBondContact O-N 2.99Å; T210-K226 PolarHBondContact N-O 2.96Å; T210-K226 PolarHBondContact O-N 2.85Å
211I97.2Very high94.1Very high2 Ų254.7 Ų54.71%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-119160.5179.163.8172.1000111.6L40 W50 S103 I104 Y106 V209 Q223 I224L40-I211 HydrophobicContact CD1-CD1 3.76Å; W50-I211 HydrophobicContact CZ2-CD1 3.69Å; S103-I211 CarbonylContact C-O 3.48Å; S103-I211 WeakPolarHBondContact CA-O 3.37Å; S103-I211 WeakPolarHBondContact CB-O 3.25Å; I104-I211 HydrophobicContact CB-CG1 4.19Å; I104-I211 PolarHBondContact N-O 3.29Å; I104-I211 PolarHBondContact O-N 2.96Å; Y106-I211 HydrophobicContact CE1-CD1 3.91Å; Y106-I211 HydrophobicContact CE1-CG1 3.99Å; Y106-I211 HydrophobicContact CE1-CG2 4Å; V209-I211 HydrophobicContact CG1-CG2 4Å; I211-Q223 CarbonylContact C-O 3.57Å; I211-Q223 VanDerWaalsContact CA-O 3.22Å; I211-Q223 WeakPolarHBondContact CA-O 3.27Å; I211-I224 HydrophobicContact CG2-CG1 4.11Å
212N96.8Very high94.2Very high21 Ų2149.7 Ų49.711%0.11226%0.256CS..EExtended strand (participates in β ladder)trans-79134.9167.9-168.8-74.2000110.8G102 G214 K220 G222 Q223 I225G102-N212 PolarHBondContact O-ND2 3.34Å; N212-G214 VanDerWaalsContact C-N 3.33Å; N212-G214 WeakPolarHBondContact OD1-CA 3.02Å; N212-G214 PolarHBondContact OD1-N 3.07Å; N212-K220 HydrophobicContact CB-CB 4.16Å; N212-K220 WeakPolarHBondContact CB-O 3.22Å; N212-G222 PolarHBondContact O-N 2.85Å; N212-Q223 PolarHBondContact N-O 3.39Å; N212-I225 HydrophobicContact CB-CD1 4.2Å
213D94.5Very high94.4Very high16 Ų1650.2 Ų50.29%0.08626%0.257CS..  trans-83.1-8.3-176.966.33.3000114.2L40 G102 I104 S215L40-D213 HydrophobicContact CB-CB 4.3Å; L40-D213 PolarHBondContact N-O 3.31Å; G102-D213 VanDerWaalsContact C-CG 3.47Å; G102-D213 VanDerWaalsContact C-OD1 3.32Å; G102-D213 WeakPolarHBondContact CA-OD1 3.23Å; G102-D213 PolarHBondContact O-N 3.18Å; I104-D213 HydrophobicContact CD1-CB 3.65Å; I104-D213 HydrophobicContact CG1-CB 3.93Å; D213-S215 VanDerWaalsContact C-N 3.29Å; D213-S215 VanDerWaalsContact CG-OG 3.27Å; D213-S215 PolarHBondContact O-N 3.07Å; D213-S215 WeakPolarHBondContact OD1-CB 3.03Å; D213-S215 PolarHBondContact OD1-N 3.46Å; D213-S215 PolarHBondContact OD1-OG 2.91Å; D213-S215 PolarHBondContact OD2-OG 2.72Å
214G93.4Very high94.5Very high0 Ų046.1 Ų46.10%024%0.235CC..SBendtrans78.72.3-175.800000114.5N212 H216 D217 N218N212-G214 VanDerWaalsContact C-N 3.33Å; N212-G214 WeakPolarHBondContact OD1-CA 3.02Å; N212-G214 PolarHBondContact OD1-N 3.07Å; G214-H216 PolarHBondContact O-N 3.13Å; G214-D217 CarbonylContact O-C 3.55Å; G214-N218 PolarHBondContact O-N 2.83Å; G214-N218 PolarHBondContact O-OD1 3.38Å
215S90.8Very high94.6Very high34 Ų3446.9 Ų46.924%0.23824%0.236CC..SBendtrans-65.8-37.7-175.763.90000113D213D213-S215 VanDerWaalsContact C-N 3.29Å; D213-S215 VanDerWaalsContact CG-OG 3.27Å; D213-S215 PolarHBondContact O-N 3.07Å; D213-S215 WeakPolarHBondContact OD1-CB 3.03Å; D213-S215 PolarHBondContact OD1-N 3.46Å; D213-S215 PolarHBondContact OD1-OG 2.91Å; D213-S215 PolarHBondContact OD2-OG 2.72Å
216H91.3Very high94.8Very high123 Ų12348.2 Ų48.257%0.56924%0.235SC*.SBendtrans-86.1-39.2176.8-62.6-34.3000113N101 G214N101-H216 PolarHBondContact OD1-CE1 2.85Å; N101-H216 PolarHBondContact OD1-NE2 2.79Å; G214-H216 PolarHBondContact O-N 3.13Å
217D92.2Very high94.9Very high62 Ų6248.2 Ų48.233%0.33223%0.228SC..  trans-148.6108.4-180-178.94.5000109.8G214 K219 K220G214-D217 CarbonylContact O-C 3.55Å; D217-K219 PolarHBondContact O-N 2.97Å; D217-K219 VanDerWaalsContact O-N 3.11Å; D217-K219 WeakPolarHBondContact OD1-CB 3.34Å; D217-K219 PolarHBondContact OD1-N 3.08Å; D217-K220 HydrophobicContact CB-CD 4.35Å; D217-K220 HydrophobicContact CB-CG 4.29Å; D217-K220 PolarHBondContact O-N 2.84Å
218N91Very high95Very high12 Ų1250.6 Ų50.66%0.06424%0.237CC..G310 helixtrans-59.1-23.4179-75.918.8000112.7N35 R39 G214 K220 I221 H253 P254N35-N218 VanDerWaalsContact CA-ND2 3.27Å; N35-N218 WeakPolarHBondContact CA-ND2 3.45Å; N35-N218 WeakPolarHBondContact CB-ND2 3.43Å; N35-N218 PolarHBondContact O-ND2 2.86Å; N35-N218 PolarHBondContact OD1-ND2 2.02Å; R39-N218 VanDerWaalsContact CG-OD1 3.31Å; R39-N218 WeakPolarHBondContact CG-OD1 3.35Å; R39-N218 PolarHBondContact NE-OD1 3.48Å; G214-N218 PolarHBondContact O-N 2.83Å; G214-N218 PolarHBondContact O-OD1 3.38Å; N218-K220 PolarHBondContact O-N 2.9Å; N218-I221 WeakPolarHBondContact O-CG2 3.38Å; N218-I221 PolarHBondContact O-N 2.99Å; N218-H253 VanDerWaalsContact O-CB 3.3Å; N218-H253 WeakPolarHBondContact O-CB 3.26Å; N218-P254 HydrophobicContact CB-CG 4.17Å
219K93.5Very high94.8Very high138 Ų13847.9 Ų47.960%0.624%0.243SC*.G310 helixtrans-67.5-17.1175.6-67.4-166.5172-165.90113.3D217 Q223D217-K219 PolarHBondContact O-N 2.97Å; D217-K219 VanDerWaalsContact O-N 3.11Å; D217-K219 WeakPolarHBondContact OD1-CB 3.34Å; D217-K219 PolarHBondContact OD1-N 3.08Å; K219-Q223 PolarHBondContact O-NE2 2.96Å
220K94.9Very high94.8Very high98 Ų9851.6 Ų51.643%0.42626%0.262SS..G310 helixtrans-100.2-5-179.3-63-174.2-178.3-179.20113.9N212 D217 N218 G222 Q223N212-K220 HydrophobicContact CB-CB 4.16Å; N212-K220 WeakPolarHBondContact CB-O 3.22Å; D217-K220 HydrophobicContact CB-CD 4.35Å; D217-K220 HydrophobicContact CB-CG 4.29Å; D217-K220 PolarHBondContact O-N 2.84Å; N218-K220 PolarHBondContact O-N 2.9Å; K220-G222 PolarHBondContact O-N 2.79Å; K220-Q223 WeakPolarHBondContact O-CB 3.43Å; K220-Q223 VanDerWaalsContact O-CG 3.27Å; K220-Q223 WeakPolarHBondContact O-CG 3.37Å; K220-Q223 PolarHBondContact O-N 2.88Å
221I95.3Very high94.7Very high2 Ų256.2 Ų56.21%0.0129%0.286CS..THydrogen-bonded Turntrans-48.6132.7-178.5-174.5170000111.9T38 L40 L46 N218 Q223 I251 H253T38-I221 WeakPolarHBondContact O-CD1 3.46Å; L40-I221 HydrophobicContact CD1-CG1 4.22Å; L40-I221 HydrophobicContact CG-CD1 4.02Å; L40-I221 HydrophobicContact CG-CG1 4.2Å; L46-I221 HydrophobicContact CD2-CD1 4.03Å; N218-I221 WeakPolarHBondContact O-CG2 3.38Å; N218-I221 PolarHBondContact O-N 2.99Å; I221-Q223 PolarHBondContact O-N 2.87Å; I221-Q223 VanDerWaalsContact O-N 3.12Å; I221-I251 HydrophobicContact CD1-CG2 4.25Å; I221-I251 HydrophobicContact CG1-CG2 4.27Å; I221-H253 HydrophobicContact CG2-CB 3.93Å
222G95.5Very high94.7Very high2 Ų259 Ų592%0.02130%0.303CS..THydrogen-bonded Turntrans73.8-6.7178.700000114.9N212 K220 I224 T247N212-G222 PolarHBondContact O-N 2.85Å; K220-G222 PolarHBondContact O-N 2.79Å; G222-I224 PolarHBondContact O-N 2.64Å; G222-T247 VanDerWaalsContact O-CA 3.31Å; G222-T247 WeakPolarHBondContact O-CA 3.44Å; G222-T247 VanDerWaalsContact O-CB 3.32Å; G222-T247 WeakPolarHBondContact O-CB 3.36Å
223Q97.1Very high94.6Very high73 Ų7358.9 Ų58.934%0.34130%0.302SS..  trans-64.8132.1177.8-69.7-177.13.800110.4I211 N212 K219 K220 I221 I225 G246 T247I211-Q223 CarbonylContact C-O 3.57Å; I211-Q223 VanDerWaalsContact CA-O 3.22Å; I211-Q223 WeakPolarHBondContact CA-O 3.27Å; N212-Q223 PolarHBondContact N-O 3.39Å; K219-Q223 PolarHBondContact O-NE2 2.96Å; K220-Q223 WeakPolarHBondContact O-CB 3.43Å; K220-Q223 VanDerWaalsContact O-CG 3.27Å; K220-Q223 WeakPolarHBondContact O-CG 3.37Å; K220-Q223 PolarHBondContact O-N 2.88Å; I221-Q223 PolarHBondContact O-N 2.87Å; I221-Q223 VanDerWaalsContact O-N 3.12Å; Q223-I225 PolarHBondContact O-N 2.95Å; Q223-G246 CarbonylContact C-O 3.52Å; Q223-G246 VanDerWaalsContact CA-O 3.28Å; Q223-G246 WeakPolarHBondContact CA-O 3.31Å; Q223-T247 HydrophobicContact CG-CG2 4.29Å
224I97.5Very high94.6Very high14 Ų1463.5 Ų63.57%0.07234%0.336CS..EExtended strand (participates in β ladder)trans-76.6122-179.4-56.3-179.5000109.2V209 I211 G222 K226 I244 G246 D248 F265V209-I224 HydrophobicContact CG1-CD1 4.19Å; V209-I224 HydrophobicContact CG1-CG1 4.17Å; V209-I224 HydrophobicContact CG1-CG2 3.94Å; I211-I224 HydrophobicContact CG2-CG1 4.11Å; G222-I224 PolarHBondContact O-N 2.64Å; I224-K226 WeakPolarHBondContact CG2-O 3.25Å; I224-I244 HydrophobicContact CB-CG2 3.8Å; I224-I244 HydrophobicContact CG2-CG2 3.65Å; I224-G246 PolarHBondContact N-O 2.89Å; I224-D248 HydrophobicContact CD1-CB 4.28Å; I224-F265 HydrophobicContact CD1-CB 3.79Å; I224-F265 HydrophobicContact CD1-CD1 3.53Å; I224-F265 HydrophobicContact CD1-CG 4.07Å
225I97Very high94.5Very high72 Ų7264.7 Ų64.737%0.36934%0.344SS..EExtended strand (participates in β ladder)trans-91.4-41.8175.6-54.6174.8000109.7T210 N212 Q223T210-I225 HydrophobicContact CG2-CB 4.29Å; T210-I225 HydrophobicContact CG2-CD1 4.44Å; T210-I225 PolarHBondContact O-N 2.99Å; N212-I225 HydrophobicContact CB-CD1 4.2Å; Q223-I225 PolarHBondContact O-N 2.95Å
226K97Very high94.7Very high96 Ų9663.6 Ų63.642%0.41734%0.335SS..EExtended strand (participates in β ladder)trans-140.2140178.9-58.2177.4-177.4174.30110.9T210 I224 N230T210-K226 PolarHBondContact N-O 2.96Å; T210-K226 PolarHBondContact O-N 2.85Å; I224-K226 WeakPolarHBondContact CG2-O 3.25Å; K226-N230 CarbonylContact C-O 3.56Å; K226-N230 WeakPolarHBondContact CA-O 3.4Å
227Y95.8Very high94.9Very high44 Ų4464.4 Ų64.417%0.17334%0.337CS..EExtended strand (participates in β ladder)trans-122.1125.9167.8-178.9-99.6000107.9D207 V209 G229 N230 L233 F265D207-Y227 HydrophobicContact CB-CE2 4.21Å; D207-Y227 PolarHBondContact OD2-OH 3.36Å; V209-Y227 HydrophobicContact CG2-CD2 4.01Å; V209-Y227 HydrophobicContact CG2-CE2 4.27Å; Y227-G229 PolarHBondContact O-N 2.53Å; Y227-N230 PolarHBondContact N-O 2.69Å; Y227-N230 PolarHBondContact O-N 3.27Å; Y227-N230 VanDerWaalsContact O-N 3.08Å; Y227-L233 HydrophobicContact CD1-CD2 4.34Å; Y227-F265 HydrophobicContact CD1-CE1 4.18Å; Y227-F265 HydrophobicContact CD1-CZ 4.16Å; Y227-F265 HydrophobicContact CD2-CD1 4.49Å; Y227-F265 AromaticContact CD2-CE1 3.6Å; Y227-F265 HydrophobicContact CD2-CE1 3.6Å; Y227-F265 HydrophobicContact CD2-CZ 4.38Å; Y227-F265 HydrophobicContact CE1-CZ 4.48Å; Y227-F265 AromaticContact CE2-CE1 3.97Å; Y227-F265 HydrophobicContact CE2-CE1 3.97Å; Y227-F265 AromaticContact CG-CE1 3.72Å; Y227-F265 HydrophobicContact CG-CE1 3.72Å; Y227-F265 HydrophobicContact CG-CZ 4.12Å
228H92.9Very high95Very high112 Ų11264.1 Ų64.152%0.51934%0.337SS..THydrogen-bonded Turntrans53.242.8-176-16684.3000112.2D207 Y208 N230D207-H228 HydrophobicContact CB-CB 4.34Å; D207-H228 IonicContact OD1-CE1 2.77Å; D207-H228 IonicContact OD1-CG 2.91Å; D207-H228 IonicContact OD1-ND1 2.71Å; D207-H228 PolarHBondContact OD1-ND1 2.67Å; Y208-H228 PolarHBondContact O-N 3.45Å; H228-N230 PolarHBondContact O-N 2.89Å; H228-N230 VanDerWaalsContact O-N 3.08Å
229G93.3Very high95.2Very high53 Ų5370.3 Ų70.355%0.54637%0.37SS..THydrogen-bonded Turntrans74.5-10.3-179.900000116Y227Y227-G229 PolarHBondContact O-N 2.53Å
230N96.1Very high95.3Very high92 Ų9268.4 Ų68.449%0.49237%0.37SS..BIsolated β-bridgetrans-105.3147.3-177.5-64.6-40.6000111.6K226 Y227 H228 T232K226-N230 CarbonylContact C-O 3.56Å; K226-N230 WeakPolarHBondContact CA-O 3.4Å; Y227-N230 PolarHBondContact N-O 2.69Å; Y227-N230 PolarHBondContact O-N 3.27Å; Y227-N230 VanDerWaalsContact O-N 3.08Å; H228-N230 PolarHBondContact O-N 2.89Å; H228-N230 VanDerWaalsContact O-N 3.08Å; N230-T232 WeakPolarHBondContact CB-O 3.29Å
231N95.7Very high95.3Very high114 Ų11464 Ų6461%0.6135%0.352SS*.SBendtrans-88.1-5.8175.362.6-10000113.4
232T96.7Very high95.4Very high60 Ų6064.5 Ų64.537%0.36835%0.354SS..BIsolated β-bridgetrans-139.8155.3174.659.70000109.7N230 N242N230-T232 WeakPolarHBondContact CB-O 3.29Å; T232-N242 CarbonylContact C-O 3.52Å; T232-N242 WeakPolarHBondContact CA-O 3.44Å; T232-N242 WeakPolarHBondContact CB-O 3.49Å
233L95.5Very high95.5Very high19 Ų1968.2 Ų68.210%0.09937%0.372CS..  trans-75.7170.7169.1-55.1169.3000111.2Y227 N242 I244 F265 C270Y227-L233 HydrophobicContact CD1-CD2 4.34Å; L233-N242 VanDerWaalsContact C-OD1 3.23Å; L233-N242 HydrophobicContact CB-CB 4.02Å; L233-N242 WeakPolarHBondContact CB-OD1 3.48Å; L233-N242 PolarHBondContact N-O 2.88Å; L233-N242 VanDerWaalsContact O-CB 3.25Å; L233-N242 WeakPolarHBondContact O-CB 3.41Å; L233-N242 VanDerWaalsContact O-CG 3.23Å; L233-N242 PolarHBondContact O-OD1 3.08Å; L233-I244 HydrophobicContact CD2-CD1 4.23Å; L233-I244 HydrophobicContact CD2-CG1 4.16Å; L233-I244 HydrophobicContact CG-CD1 4.4Å; L233-I244 HydrophobicContact CG-CG1 3.95Å; L233-F265 HydrophobicContact CD1-CE2 3.96Å; L233-F265 HydrophobicContact CD2-CE2 3.94Å; L233-F265 HydrophobicContact CD2-CZ 3.84Å; L233-F265 HydrophobicContact CG-CE2 4.33Å; L233-C270 WeakPolarHBondContact CD1-O 3.38Å
234S93.9Very high95.5Very high113 Ų11365.5 Ų65.579%0.7936%0.36SS*.SBendtrans-124.37.5171.359.80000112.9N242S234-N242 PolarHBondContact N-OD1 3.2Å
235C91.6Very high95.5Very high25 Ų2567.5 Ų67.517%0.16937%0.371CS..SBendtrans-78.9-24.4-172.4-580000113N242 S327C235-N242 PolarHBondContact N-OD1 3.39Å; C235-N242 VanDerWaalsContact N-OD1 3.12Å; C235-S327 WeakPolarHBondContact O-CB 3.41Å; C235-S327 PolarHBondContact O-OG 3.31Å
236W95.1Very high95.5Very high12 Ų1264.9 Ų64.95%0.04536%0.361CS..SBendtrans-113.2166.9-168.8-50.1115.4000112.5A241 N242 C270 R271 F310 L312 L323 D324W236-A241 HydrophobicContact CB-CB 3.56Å; W236-A241 HydrophobicContact CG-CB 4.12Å; W236-N242 VanDerWaalsContact C-ND2 3.33Å; W236-N242 PolarHBondContact N-OD1 2.89Å; W236-N242 PolarHBondContact O-ND2 2.87Å; W236-C270 HydrophobicContact CZ2-CB 4.23Å; W236-C270 PolarHBondContact NE1-O 2.85Å; W236-R271 HydrophobicContact CZ2-CB 4.41Å; W236-F310 HydrophobicContact CB-CD1 4.46Å; W236-F310 AromaticContact CD1-CE1 3.9Å; W236-F310 AromaticContact CD2-CD1 3.56Å; W236-F310 HydrophobicContact CD2-CD1 3.56Å; W236-F310 HydrophobicContact CD2-CE1 4.04Å; W236-F310 AromaticContact CE2-CD1 3.83Å; W236-F310 HydrophobicContact CE3-CB 4.5Å; W236-F310 AromaticContact CE3-CD1 3.87Å; W236-F310 HydrophobicContact CE3-CD1 3.87Å; W236-F310 AromaticContact CG-CD1 3.82Å; W236-F310 HydrophobicContact CG-CD1 3.82Å; W236-F310 AromaticContact CG-CE1 3.94Å; W236-F310 HydrophobicContact CG-CE1 3.94Å; W236-F310 HydrophobicContact CZ2-CD1 4.36Å; W236-F310 HydrophobicContact CZ3-CD1 4.38Å; W236-F310 AromaticContact NE1-CE1 3.91Å; W236-L312 HydrophobicContact CE3-CD2 3.97Å; W236-L312 HydrophobicContact CZ3-CD1 4.48Å; W236-L312 HydrophobicContact CZ3-CD2 4.25Å; W236-L312 HydrophobicContact CZ3-CG 4.47Å; W236-L323 HydrophobicContact CH2-CD1 3.81Å; W236-L323 HydrophobicContact CH2-CD2 4.46Å; W236-L323 HydrophobicContact CH2-CG 4.23Å; W236-L323 HydrophobicContact CZ2-CD1 4.43Å; W236-L323 HydrophobicContact CZ3-CD1 4.18Å; W236-D324 WeakPolarHBondContact CH2-O 3.29Å; W236-D324 WeakPolarHBondContact CZ3-O 3.17Å
237K94.9Very high95.4Very high139 Ų13960.6 Ų60.660%0.60434%0.343SS*.SBendtrans-81.4-19.5-170.5-63.3-60.4-174176.20114.9G309 C311 L312K237-G309 PolarHBondContact N-O 3.38Å; K237-C311 WeakPolarHBondContact CG-O 3.23Å; K237-L312 WeakPolarHBondContact CE-O 3.12Å; K237-L312 PolarHBondContact NZ-O 2.88Å
238T94.7Very high95.3Very high57 Ų5760.8 Ų60.835%0.3535%0.347SS..SBendtrans-123.3155.5-175.965.30000110.9T240 A241 N242 G309T238-T240 VanDerWaalsContact C-N 3.3Å; T238-T240 PolarHBondContact O-N 3.08Å; T238-A241 PolarHBondContact O-N 2.82Å; T238-A241 VanDerWaalsContact OG1-CB 3.29Å; T238-A241 WeakPolarHBondContact OG1-CB 3.33Å; T238-A241 PolarHBondContact OG1-N 3.31Å; T238-N242 PolarHBondContact O-N 2.83Å; T238-N242 PolarHBondContact O-ND2 3.44Å; T238-G309 WeakPolarHBondContact OG1-CA 2.89Å
239L95.1Very high95.3Very high142 Ų14256.4 Ų56.474%0.74333%0.332SS*.THydrogen-bonded Turntrans-59.1-42.8175.8-65.9174.4000111.4A241 N242 M243L239-A241 PolarHBondContact O-N 3.17Å; L239-N242 CarbonylContact O-C 3.44Å; L239-N242 PolarHBondContact O-N 3.43Å; L239-N242 VanDerWaalsContact O-N 3.12Å; L239-M243 WeakPolarHBondContact O-CG 3.43Å; L239-M243 PolarHBondContact O-N 3.29Å
240T95Very high95.1Very high98 Ų9856.2 Ų56.260%0.60132%0.322SS*.THydrogen-bonded Turntrans-62.1-42.6179.4-48.40000112.5T238 N242 M243T238-T240 VanDerWaalsContact C-N 3.3Å; T238-T240 PolarHBondContact O-N 3.08Å; T240-N242 PolarHBondContact O-N 3.27Å; T240-M243 HydrophobicContact CG2-SD 4.36Å; T240-M243 WeakPolarHBondContact O-CB 3.43Å; T240-M243 PolarHBondContact O-N 3.49Å
241A96.2Very high94.8Very high5 Ų552.6 Ų52.64%0.04130%0.303CS..THydrogen-bonded Turntrans-66.9-26176.900000112.8W236 T238 L239 F310W236-A241 HydrophobicContact CB-CB 3.56Å; W236-A241 HydrophobicContact CG-CB 4.12Å; T238-A241 PolarHBondContact O-N 2.82Å; T238-A241 VanDerWaalsContact OG1-CB 3.29Å; T238-A241 WeakPolarHBondContact OG1-CB 3.33Å; T238-A241 PolarHBondContact OG1-N 3.31Å; L239-A241 PolarHBondContact O-N 3.17Å; A241-F310 HydrophobicContact CB-CD1 4.03Å; A241-F310 HydrophobicContact CB-CE1 3.65Å; A241-F310 HydrophobicContact CB-CE2 4.2Å; A241-F310 HydrophobicContact CB-CG 4.45Å; A241-F310 HydrophobicContact CB-CZ 3.73Å
242N97Very high94.8Very high12 Ų1247.4 Ų47.46%0.06428%0.275CS..THydrogen-bonded Turntrans-89.11.3177-75.5-58.8000114T232 L233 S234 C235 W236 T238 L239 T240T232-N242 CarbonylContact C-O 3.52Å; T232-N242 WeakPolarHBondContact CA-O 3.44Å; T232-N242 WeakPolarHBondContact CB-O 3.49Å; L233-N242 VanDerWaalsContact C-OD1 3.23Å; L233-N242 HydrophobicContact CB-CB 4.02Å; L233-N242 WeakPolarHBondContact CB-OD1 3.48Å; L233-N242 PolarHBondContact N-O 2.88Å; L233-N242 VanDerWaalsContact O-CB 3.25Å; L233-N242 WeakPolarHBondContact O-CB 3.41Å; L233-N242 VanDerWaalsContact O-CG 3.23Å; L233-N242 PolarHBondContact O-OD1 3.08Å; S234-N242 PolarHBondContact N-OD1 3.2Å; C235-N242 PolarHBondContact N-OD1 3.39Å; C235-N242 VanDerWaalsContact N-OD1 3.12Å; W236-N242 VanDerWaalsContact C-ND2 3.33Å; W236-N242 PolarHBondContact N-OD1 2.89Å; W236-N242 PolarHBondContact O-ND2 2.87Å; T238-N242 PolarHBondContact O-N 2.83Å; T238-N242 PolarHBondContact O-ND2 3.44Å; L239-N242 CarbonylContact O-C 3.44Å; L239-N242 PolarHBondContact O-N 3.43Å; L239-N242 VanDerWaalsContact O-N 3.12Å; T240-N242 PolarHBondContact O-N 3.27Å
243M97.5Very high94.8Very high81 Ų8145.8 Ų45.840%0.39926%0.263SS..BIsolated β-bridgetrans-66.9135.7175.6-70.9178.317200110.8L239 T240 S272L239-M243 WeakPolarHBondContact O-CG 3.43Å; L239-M243 PolarHBondContact O-N 3.29Å; T240-M243 HydrophobicContact CG2-SD 4.36Å; T240-M243 WeakPolarHBondContact O-CB 3.43Å; T240-M243 PolarHBondContact O-N 3.49Å; M243-S272 PolarHBondContact O-OG 3.4Å
244I97.4Very high94.7Very high15 Ų1545.2 Ų45.28%0.07726%0.26CS..  trans-95.597.8170.2-59.8164.5000106.7I224 L233 F265I224-I244 HydrophobicContact CB-CG2 3.8Å; I224-I244 HydrophobicContact CG2-CG2 3.65Å; L233-I244 HydrophobicContact CD2-CD1 4.23Å; L233-I244 HydrophobicContact CD2-CG1 4.16Å; L233-I244 HydrophobicContact CG-CD1 4.4Å; L233-I244 HydrophobicContact CG-CG1 3.95Å; I244-F265 HydrophobicContact CG1-CD2 4.46Å; I244-F265 HydrophobicContact CG1-CE2 4.36Å; I244-F265 HydrophobicContact CG2-CB 4.1Å; I244-F265 HydrophobicContact CG2-CD1 4.17Å; I244-F265 HydrophobicContact CG2-CD2 4.07Å; I244-F265 HydrophobicContact CG2-CG 3.82Å
245N97Very high94.8Very high57 Ų5742.4 Ų42.431%0.30523%0.234SC..  trans-106.7139.8-178.3-63.3-31.3000111.2Y263 F265 S272N245-Y263 HydrophobicContact CB-CD1 3.78Å; N245-Y263 HydrophobicContact CB-CE1 4.49Å; N245-Y263 HydrophobicContact CB-CG 3.99Å; N245-F265 PolarHBondContact O-N 2.61Å; N245-S272 PolarHBondContact N-OG 2.91Å; N245-S272 PolarHBondContact O-OG 2.89Å
246G96.5Very high95Very high16 Ų1641.6 Ų41.617%0.16523%0.228CC..SBendtrans83.1-158.3170.500000114.5Q223 I224 Y263Q223-G246 CarbonylContact C-O 3.52Å; Q223-G246 VanDerWaalsContact CA-O 3.28Å; Q223-G246 WeakPolarHBondContact CA-O 3.31Å; I224-G246 PolarHBondContact N-O 2.89Å; G246-Y263 VanDerWaalsContact CA-O 3.26Å; G246-Y263 WeakPolarHBondContact CA-O 3.29Å
247T96Very high94.9Very high6 Ų645.6 Ų45.64%0.03725%0.25CS..BIsolated β-bridgetrans-98.2-178.5-177.6760000111.2G222 Q223 G249 I251 Y263 I264 F265G222-T247 VanDerWaalsContact O-CA 3.31Å; G222-T247 WeakPolarHBondContact O-CA 3.44Å; G222-T247 VanDerWaalsContact O-CB 3.32Å; G222-T247 WeakPolarHBondContact O-CB 3.36Å; Q223-T247 HydrophobicContact CG-CG2 4.29Å; T247-G249 PolarHBondContact O-N 2.89Å; T247-G249 PolarHBondContact OG1-N 2.75Å; T247-G249 VanDerWaalsContact OG1-N 3.08Å; T247-I251 WeakPolarHBondContact CB-O 3.24Å; T247-I251 VanDerWaalsContact CG2-O 3.27Å; T247-I251 WeakPolarHBondContact CG2-O 3.49Å; T247-I251 PolarHBondContact OG1-O 2.91Å; T247-Y263 PolarHBondContact N-O 2.84Å; T247-Y263 VanDerWaalsContact N-O 3.17Å; T247-I264 CarbonylContact O-C 3.57Å; T247-I264 WeakPolarHBondContact O-CA 2.98Å; T247-F265 PolarHBondContact O-N 3.47Å
248D93.2Very high94.9Very high49 Ų4943.8 Ų43.826%0.26224%0.242SC..  trans-79.32.2169.567.2-4.2000113.1Y106 I224 S250Y106-D248 PolarHBondContact OH-OD2 2.83Å; I224-D248 HydrophobicContact CD1-CB 4.28Å; D248-S250 VanDerWaalsContact OD1-CB 3.26Å; D248-S250 WeakPolarHBondContact OD1-CB 3.42Å; D248-S250 PolarHBondContact OD1-N 2.92Å; D248-S250 PolarHBondContact OD1-OG 2.92Å; D248-S250 PolarHBondContact OD2-OG 2.77Å
249G92.4Very high94.9Very high20 Ų2048.7 Ų48.721%0.20627%0.267CS..SBendtrans80.711-177.100000114.4T247 I374T247-G249 PolarHBondContact O-N 2.89Å; T247-G249 PolarHBondContact OG1-N 2.75Å; T247-G249 VanDerWaalsContact OG1-N 3.08Å; G249-I374 WeakPolarHBondContact O-CD1 3.46Å
250S89.2Confident94.8Very high49 Ų4944.1 Ų44.134%0.34324%0.241SC..SBendtrans-92.1-28.6173.869.10000113.6D248D248-S250 VanDerWaalsContact OD1-CB 3.26Å; D248-S250 WeakPolarHBondContact OD1-CB 3.42Å; D248-S250 PolarHBondContact OD1-N 2.92Å; D248-S250 PolarHBondContact OD1-OG 2.92Å; D248-S250 PolarHBondContact OD2-OG 2.77Å
251I90.9Very high94.8Very high16 Ų1642.8 Ų42.88%0.08223%0.231CC..  trans-141.4143.9-177.9-60.5177.4000108.7L40 L46 W50 I221 T247L40-I251 HydrophobicContact CD1-CD1 4.46Å; L40-I251 HydrophobicContact CD2-CD1 3.91Å; L46-I251 HydrophobicContact CD1-CD1 4.17Å; W50-I251 HydrophobicContact CB-CD1 3.91Å; W50-I251 VanDerWaalsContact CD1-CD1 3.49Å; W50-I251 HydrophobicContact CG-CD1 3.95Å; I221-I251 HydrophobicContact CD1-CG2 4.25Å; I221-I251 HydrophobicContact CG1-CG2 4.27Å; T247-I251 WeakPolarHBondContact CB-O 3.24Å; T247-I251 VanDerWaalsContact CG2-O 3.27Å; T247-I251 WeakPolarHBondContact CG2-O 3.49Å; T247-I251 PolarHBondContact OG1-O 2.91Å
252F95.5Very high94.8Very high5 Ų543 Ų432%0.02223%0.231CC..  trans-123.8165.7167.4-64.2-82.9000110.6I256 L262 I264 I365 I367 G372 I374F252-I256 HydrophobicContact CB-CD1 3.77Å; F252-L262 HydrophobicContact CD1-CB 4.33Å; F252-L262 HydrophobicContact CD1-CD1 3.99Å; F252-L262 HydrophobicContact CD1-CD2 4.22Å; F252-L262 HydrophobicContact CD1-CG 4.42Å; F252-L262 HydrophobicContact CE1-CB 3.97Å; F252-L262 HydrophobicContact CE1-CD1 4.08Å; F252-L262 HydrophobicContact CE1-CG 4.48Å; F252-L262 HydrophobicContact CG-CD1 4.37Å; F252-I264 HydrophobicContact CE1-CD1 4.45Å; F252-I264 HydrophobicContact CE1-CG1 4.04Å; F252-I264 HydrophobicContact CZ-CD1 3.73Å; F252-I264 HydrophobicContact CZ-CG1 3.78Å; F252-I365 HydrophobicContact CE2-CG2 4.29Å; F252-I367 HydrophobicContact CD2-CD1 3.58Å; F252-I367 HydrophobicContact CD2-CG1 4.31Å; F252-I367 HydrophobicContact CE2-CD1 3.74Å; F252-I367 HydrophobicContact CG-CD1 4.1Å; F252-I367 HydrophobicContact CZ-CD1 4.38Å; F252-G372 PolarHBondContact N-O 2.99Å; F252-I374 HydrophobicContact CD2-CD1 4.16Å; F252-I374 HydrophobicContact CD2-CG1 4.02Å; F252-I374 HydrophobicContact CE2-CD1 3.8Å; F252-I374 HydrophobicContact CE2-CG1 4.02Å
253H95.3Very high94.8Very high26 Ų2646.4 Ų46.412%0.1224%0.243CC..  trans-69.9155.7177.563.779.1000112.1N218 I221 I256 E260 G372N218-H253 VanDerWaalsContact O-CB 3.3Å; N218-H253 WeakPolarHBondContact O-CB 3.26Å; I221-H253 HydrophobicContact CG2-CB 3.93Å; H253-I256 WeakPolarHBondContact O-CG1 3.19Å; H253-E260 IonicContact CE1-OE1 3.58Å; H253-E260 PolarHBondContact CE1-OE1 2.91Å; H253-E260 VanDerWaalsContact CE1-OE1 3.24Å; H253-E260 IonicContact CE1-OE2 3.24Å; H253-E260 PolarHBondContact CE1-OE2 2.93Å; H253-E260 VanDerWaalsContact CE1-OE2 3.31Å; H253-E260 IonicContact NE2-OE1 2.89Å; H253-E260 IonicContact NE2-OE2 3.72Å; H253-G372 VanDerWaalsContact O-CA 3.3Å; H253-G372 WeakPolarHBondContact O-CA 3.49Å
254P95.2Very high94.8Very high6 Ų643.4 Ų43.44%0.03923%0.229CC..SBendtrans-68166172.831.3-39.1000112.6I34 T38 N218 N370I34-P254 HydrophobicContact CG2-CB 4.12Å; T38-P254 HydrophobicContact CG2-CB 4.17Å; T38-P254 WeakPolarHBondContact OG1-CG 3.42Å; N218-P254 HydrophobicContact CB-CG 4.17Å; P254-N370 VanDerWaalsContact CA-O 3.29Å; P254-N370 WeakPolarHBondContact CA-O 3.4Å; P254-N370 WeakPolarHBondContact CB-O 3.37Å
255F95.4Very high94.8Very high54 Ų5443 Ų4324%0.23723%0.226CC..SBendtrans56.650.3176.4-47.4-67.5000113.7W31 I34 N35 P369 N370W31-F255 HydrophobicContact CB-CZ 4.29Å; W31-F255 AromaticContact CD1-CE1 3.49Å; W31-F255 VanDerWaalsContact CD1-CE1 3.49Å; W31-F255 AromaticContact CD1-CE2 3.44Å; W31-F255 VanDerWaalsContact CD1-CE2 3.44Å; W31-F255 AromaticContact CD1-CZ 3.13Å; W31-F255 HydrophobicContact CD2-CE2 4.49Å; W31-F255 HydrophobicContact CD2-CZ 4.48Å; W31-F255 HydrophobicContact CG-CE1 4.34Å; W31-F255 HydrophobicContact CG-CE2 4.18Å; W31-F255 AromaticContact CG-CZ 3.75Å; W31-F255 HydrophobicContact CG-CZ 3.75Å; W31-F255 AromaticContact NE1-CD2 3.66Å; W31-F255 AromaticContact NE1-CE2 3.3Å; W31-F255 VanDerWaalsContact NE1-CE2 3.3Å; W31-F255 AromaticContact NE1-CZ 3.56Å; I34-F255 HydrophobicContact CB-CZ 3.93Å; I34-F255 HydrophobicContact CD1-CE1 4.19Å; I34-F255 HydrophobicContact CD1-CZ 4.34Å; I34-F255 HydrophobicContact CG2-CE1 4.24Å; I34-F255 HydrophobicContact CG2-CE2 4.23Å; I34-F255 HydrophobicContact CG2-CZ 3.69Å; N35-F255 WeakPolarHBondContact OD1-CE2 3.04Å; F255-P369 CarbonylContact C-O 3.57Å; F255-P369 WeakPolarHBondContact CA-O 3.23Å; F255-P369 PolarHBondContact N-O 3.45Å; F255-N370 PolarHBondContact N-O 3.32Å
256I95.9Very high94.7Very high8 Ų840.6 Ų40.64%0.04121%0.214CC..  trans-67.1131.4178.5-67.3176.5000110.3F252 H253 E260 L262 L289 F291 I367 P369F252-I256 HydrophobicContact CB-CD1 3.77Å; H253-I256 WeakPolarHBondContact O-CG1 3.19Å; I256-E260 WeakPolarHBondContact CA-OE1 3.45Å; I256-E260 VanDerWaalsContact CB-OE1 3.29Å; I256-E260 WeakPolarHBondContact CB-OE1 3.26Å; I256-E260 WeakPolarHBondContact CG2-OE1 3.39Å; I256-L262 HydrophobicContact CD1-CD1 4.32Å; I256-L289 HydrophobicContact CG2-CD1 3.85Å; I256-F291 HydrophobicContact CG2-CE2 3.92Å; I256-F291 HydrophobicContact CG2-CZ 3.63Å; I256-I367 HydrophobicContact CD1-CB 4.45Å; I256-I367 HydrophobicContact CD1-CD1 4.25Å; I256-I367 HydrophobicContact CD1-CG2 3.58Å; I256-P369 PolarHBondContact N-O 3.04Å
257N92.8Very high94.6Very high96 Ų9642.6 Ų42.651%0.51323%0.226SC..  trans-100.3155.3177.9-64.9-52.7000110.9D259 E260N257-D259 VanDerWaalsContact C-N 3.27Å; N257-D259 PolarHBondContact O-N 2.79Å; N257-E260 PolarHBondContact N-OE1 3.49Å; N257-E260 WeakPolarHBondContact O-CG 3.39Å
258K94.7Very high94.3Very high102 Ų10245.2 Ų45.244%0.44324%0.24SC..THydrogen-bonded Turntrans-73.4-21.8178.7-62.1177.1-173.3166.60113.4E260 F277 L289K258-E260 VanDerWaalsContact C-N 3.33Å; K258-F277 HydrophobicContact CB-CB 4.49Å; K258-F277 HydrophobicContact CB-CD1 4.06Å; K258-F277 HydrophobicContact CB-CD2 4.28Å; K258-F277 HydrophobicContact CB-CE1 4.4Å; K258-F277 HydrophobicContact CB-CG 4Å; K258-F277 HydrophobicContact CD-CE1 4.07Å; K258-F277 HydrophobicContact CD-CE2 4.22Å; K258-F277 HydrophobicContact CD-CZ 3.89Å; K258-F277 HydrophobicContact CG-CD1 4.4Å; K258-F277 HydrophobicContact CG-CD2 4.06Å; K258-F277 HydrophobicContact CG-CE1 4.34Å; K258-F277 HydrophobicContact CG-CE2 4Å; K258-F277 HydrophobicContact CG-CG 4.26Å; K258-F277 HydrophobicContact CG-CZ 4.15Å; K258-F277 VanDerWaalsContact O-CB 3.22Å; K258-F277 WeakPolarHBondContact O-CB 3.24Å; K258-L289 HydrophobicContact CG-CD1 4.39Å; K258-L289 HydrophobicContact CG-CD2 4.21Å
259D94.6Very high94.3Very high160 Ų16043 Ų4386%0.85623%0.228SC*.THydrogen-bonded Turntrans-90.40.1-177.7-54.6-42.6000112.5N257N257-D259 VanDerWaalsContact C-N 3.27Å; N257-D259 PolarHBondContact O-N 2.79Å
260E93.5Very high94.4Very high45 Ų4542.9 Ų42.921%0.2122%0.223CC..PPolyproline II helixtrans-98.7140.7178.989.8-166.1151.100111.4H253 I256 N257 K258 L262H253-E260 IonicContact CE1-OE1 3.58Å; H253-E260 PolarHBondContact CE1-OE1 2.91Å; H253-E260 VanDerWaalsContact CE1-OE1 3.24Å; H253-E260 IonicContact CE1-OE2 3.24Å; H253-E260 PolarHBondContact CE1-OE2 2.93Å; H253-E260 VanDerWaalsContact CE1-OE2 3.31Å; H253-E260 IonicContact NE2-OE1 2.89Å; H253-E260 IonicContact NE2-OE2 3.72Å; I256-E260 WeakPolarHBondContact CA-OE1 3.45Å; I256-E260 VanDerWaalsContact CB-OE1 3.29Å; I256-E260 WeakPolarHBondContact CB-OE1 3.26Å; I256-E260 WeakPolarHBondContact CG2-OE1 3.39Å; N257-E260 PolarHBondContact N-OE1 3.49Å; N257-E260 WeakPolarHBondContact O-CG 3.39Å; K258-E260 VanDerWaalsContact C-N 3.33Å; E260-L262 HydrophobicContact CG-CD2 4.04Å
261D95Very high94.7Very high71 Ų7141.1 Ų41.138%0.3821%0.209SC..PPolyproline II helixtrans-95128172.4-66.5-43.1000110Q274 F275D261-Q274 HydrophobicContact CB-CG 3.64Å; D261-Q274 VanDerWaalsContact CB-NE2 3.26Å; D261-Q274 VanDerWaalsContact CG-NE2 3.27Å; D261-Q274 PolarHBondContact OD2-NE2 3.24Å; D261-F275 CarbonylContact C-O 3.51Å; D261-F275 WeakPolarHBondContact CA-O 3.09Å
262L96.9Very high95Very high8 Ų841.1 Ų41.14%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-89.1137.3179.3-58.9178.5000110.1F252 I256 E260 Q274 F275 F291 I367F252-L262 HydrophobicContact CD1-CB 4.33Å; F252-L262 HydrophobicContact CD1-CD1 3.99Å; F252-L262 HydrophobicContact CD1-CD2 4.22Å; F252-L262 HydrophobicContact CD1-CG 4.42Å; F252-L262 HydrophobicContact CE1-CB 3.97Å; F252-L262 HydrophobicContact CE1-CD1 4.08Å; F252-L262 HydrophobicContact CE1-CG 4.48Å; F252-L262 HydrophobicContact CG-CD1 4.37Å; I256-L262 HydrophobicContact CD1-CD1 4.32Å; E260-L262 HydrophobicContact CG-CD2 4.04Å; L262-Q274 CarbonylContact O-C 3.58Å; L262-Q274 WeakPolarHBondContact O-CA 3.4Å; L262-F275 HydrophobicContact CB-CB 4.41Å; L262-F275 PolarHBondContact N-O 2.98Å; L262-F275 PolarHBondContact O-N 2.78Å; L262-F291 HydrophobicContact CD1-CD1 3.9Å; L262-F291 HydrophobicContact CD1-CD2 4.04Å; L262-F291 HydrophobicContact CD1-CE1 3.78Å; L262-F291 HydrophobicContact CD1-CE2 3.89Å; L262-F291 HydrophobicContact CD1-CG 4.04Å; L262-F291 HydrophobicContact CD1-CZ 3.78Å; L262-F291 HydrophobicContact CG-CD1 4.16Å; L262-F291 HydrophobicContact CG-CE1 3.86Å; L262-F291 HydrophobicContact CG-CZ 4.19Å; L262-I367 HydrophobicContact CD1-CD1 3.37Å
263Y97Very high95Very high85 Ų8541.6 Ų41.633%0.33321%0.214SC..EExtended strand (participates in β ladder)trans-104.9138.5175.2-72.3-94.3000110.6N245 G246 T247 L273 Q274N245-Y263 HydrophobicContact CB-CD1 3.78Å; N245-Y263 HydrophobicContact CB-CE1 4.49Å; N245-Y263 HydrophobicContact CB-CG 3.99Å; G246-Y263 VanDerWaalsContact CA-O 3.26Å; G246-Y263 WeakPolarHBondContact CA-O 3.29Å; T247-Y263 PolarHBondContact N-O 2.84Å; T247-Y263 VanDerWaalsContact N-O 3.17Å; Y263-L273 WeakPolarHBondContact CA-O 3.43Å; Y263-Q274 HydrophobicContact CD1-CB 4.13Å; Y263-Q274 HydrophobicContact CD1-CG 4.38Å; Y263-Q274 HydrophobicContact CE1-CB 3.81Å; Y263-Q274 HydrophobicContact CE1-CG 3.88Å; Y263-Q274 HydrophobicContact CE2-CG 4.17Å; Y263-Q274 VanDerWaalsContact OH-CD 3.24Å; Y263-Q274 PolarHBondContact OH-NE2 2.85Å; Y263-Q274 PolarHBondContact OH-OE1 2.93Å
264I97.2Very high95Very high17 Ų1741.3 Ų41.39%0.08721%0.212CC..EExtended strand (participates in β ladder)trans-127.9127171.6-59.6175.9000108.2T247 F252 S272 L273 F275 I365T247-I264 CarbonylContact O-C 3.57Å; T247-I264 WeakPolarHBondContact O-CA 2.98Å; F252-I264 HydrophobicContact CE1-CD1 4.45Å; F252-I264 HydrophobicContact CE1-CG1 4.04Å; F252-I264 HydrophobicContact CZ-CD1 3.73Å; F252-I264 HydrophobicContact CZ-CG1 3.78Å; I264-S272 CarbonylContact O-C 3.53Å; I264-S272 WeakPolarHBondContact O-CA 3.49Å; I264-L273 PolarHBondContact N-O 2.95Å; I264-L273 PolarHBondContact O-N 2.93Å; I264-F275 HydrophobicContact CB-CD2 4.43Å; I264-F275 HydrophobicContact CB-CE2 3.98Å; I264-F275 HydrophobicContact CD1-CD2 3.86Å; I264-F275 HydrophobicContact CD1-CE2 3.57Å; I264-F275 HydrophobicContact CD1-CZ 4.04Å; I264-F275 HydrophobicContact CG1-CD2 4.06Å; I264-F275 HydrophobicContact CG1-CE2 3.95Å; I264-I365 HydrophobicContact CD1-CD1 3.29Å
265F97.2Very high95.1Very high7 Ų741.3 Ų41.33%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-84.6111.2167.2176-111000109.9I224 Y227 L233 I244 N245 T247I224-F265 HydrophobicContact CD1-CB 3.79Å; I224-F265 HydrophobicContact CD1-CD1 3.53Å; I224-F265 HydrophobicContact CD1-CG 4.07Å; Y227-F265 HydrophobicContact CD1-CE1 4.18Å; Y227-F265 HydrophobicContact CD1-CZ 4.16Å; Y227-F265 HydrophobicContact CD2-CD1 4.49Å; Y227-F265 AromaticContact CD2-CE1 3.6Å; Y227-F265 HydrophobicContact CD2-CE1 3.6Å; Y227-F265 HydrophobicContact CD2-CZ 4.38Å; Y227-F265 HydrophobicContact CE1-CZ 4.48Å; Y227-F265 AromaticContact CE2-CE1 3.97Å; Y227-F265 HydrophobicContact CE2-CE1 3.97Å; Y227-F265 AromaticContact CG-CE1 3.72Å; Y227-F265 HydrophobicContact CG-CE1 3.72Å; Y227-F265 HydrophobicContact CG-CZ 4.12Å; L233-F265 HydrophobicContact CD1-CE2 3.96Å; L233-F265 HydrophobicContact CD2-CE2 3.94Å; L233-F265 HydrophobicContact CD2-CZ 3.84Å; L233-F265 HydrophobicContact CG-CE2 4.33Å; I244-F265 HydrophobicContact CG1-CD2 4.46Å; I244-F265 HydrophobicContact CG1-CE2 4.36Å; I244-F265 HydrophobicContact CG2-CB 4.1Å; I244-F265 HydrophobicContact CG2-CD1 4.17Å; I244-F265 HydrophobicContact CG2-CD2 4.07Å; I244-F265 HydrophobicContact CG2-CG 3.82Å; N245-F265 PolarHBondContact O-N 2.61Å; T247-F265 PolarHBondContact O-N 3.47Å
266A95.1Very high95.2Very high6 Ų639 Ų395%0.0520%0.204CC..EExtended strand (participates in β ladder)trans-95.39817800000109.1D268 I269 C270 R271 L273A266-D268 VanDerWaalsContact C-N 3.25Å; A266-D268 WeakPolarHBondContact CB-OD1 3.44Å; A266-D268 PolarHBondContact O-N 3.31Å; A266-I269 HydrophobicContact CB-CD1 3.99Å; A266-I269 HydrophobicContact CB-CG1 3.55Å; A266-I269 CarbonylContact O-C 3.23Å; A266-I269 WeakPolarHBondContact O-CG1 3.12Å; A266-I269 PolarHBondContact O-N 3.38Å; A266-C270 PolarHBondContact O-N 3.22Å; A266-R271 PolarHBondContact N-O 2.89Å; A266-R271 PolarHBondContact O-N 2.77Å; A266-L273 HydrophobicContact CB-CD1 4.25Å
267S93.2Very high95.3Very high59 Ų5941.8 Ų41.841%0.41322%0.215SC..G310 helixtrans-63.8-28.8-176.156.70000113.4I269 C270S267-I269 VanDerWaalsContact C-N 3.26Å; S267-I269 PolarHBondContact O-N 3.08Å; S267-C270 PolarHBondContact O-N 3.43Å
268D89.8Confident95.4Very high61 Ų6140.4 Ų40.433%0.32621%0.208SC..G310 helixtrans-65.7-26.6175.955.9-32.1000113.6A266 K379 L381A266-D268 VanDerWaalsContact C-N 3.25Å; A266-D268 WeakPolarHBondContact CB-OD1 3.44Å; A266-D268 PolarHBondContact O-N 3.31Å; D268-K379 IonicContact OD1-NZ 3.46Å; D268-K379 PolarHBondContact OD1-NZ 3.35Å; D268-K379 VanDerWaalsContact OD2-CE 3.27Å; D268-K379 WeakPolarHBondContact OD2-CE 3.36Å; D268-K379 IonicContact OD2-NZ 3.53Å; D268-K379 PolarHBondContact OD2-NZ 2.83Å; D268-L381 VanDerWaalsContact OD2-CD1 3.3Å; D268-L381 WeakPolarHBondContact OD2-CD1 3.45Å
269I93.4Very high95.5Very high2 Ų237.2 Ų37.21%0.0120%0.198CC..G310 helixtrans-114.412.217664.1164.4000113.1A266 S267 R271 L273 L323 M325 I336 L381A266-I269 HydrophobicContact CB-CD1 3.99Å; A266-I269 HydrophobicContact CB-CG1 3.55Å; A266-I269 CarbonylContact O-C 3.23Å; A266-I269 WeakPolarHBondContact O-CG1 3.12Å; A266-I269 PolarHBondContact O-N 3.38Å; S267-I269 VanDerWaalsContact C-N 3.26Å; S267-I269 PolarHBondContact O-N 3.08Å; I269-R271 HydrophobicContact CD1-CG 3.65Å; I269-R271 HydrophobicContact CG1-CG 3.92Å; I269-R271 PolarHBondContact O-N 3.28Å; I269-R271 VanDerWaalsContact O-N 3.12Å; I269-L273 HydrophobicContact CD1-CD1 3.86Å; I269-L273 HydrophobicContact CD1-CD2 3.91Å; I269-L273 HydrophobicContact CD1-CG 4.12Å; I269-L323 HydrophobicContact CB-CD2 4.17Å; I269-L323 HydrophobicContact CD1-CD2 4.32Å; I269-M325 VanDerWaalsContact CA-CE 3.46Å; I269-M325 HydrophobicContact CB-CE 4.25Å; I269-M325 HydrophobicContact CB-SD 4.18Å; I269-I336 HydrophobicContact CG2-CB 4.5Å; I269-I336 HydrophobicContact CG2-CG1 4.06Å; I269-I336 HydrophobicContact CG2-CG2 4.1Å; I269-L381 HydrophobicContact CG2-CD1 3.82Å
270C94.2Very high95.6Very high17 Ų1733.9 Ų33.912%0.11518%0.18CC..THydrogen-bonded Turntrans45.639.4-178.4-650000114.3L233 W236 A266 S267 C328L233-C270 WeakPolarHBondContact CD1-O 3.38Å; W236-C270 HydrophobicContact CZ2-CB 4.23Å; W236-C270 PolarHBondContact NE1-O 2.85Å; A266-C270 PolarHBondContact O-N 3.22Å; S267-C270 PolarHBondContact O-N 3.43Å; C270-C328 HydrophobicContact CB-CB 3.54Å; C270-C328 WeakPolarHBondContact CB-SG 3.39Å; C270-C328 WeakPolarHBondContact SG-CB 3.31Å; C270-C328 CovalentContact SG-SG 2.02Å; C270-C328 PolarHBondContact SG-SG 2.94Å
271R95.5Very high95.8Very high12 Ų1235.8 Ų35.85%0.04519%0.189CC..EExtended strand (participates in β ladder)trans-151.8157176.371.6178.8-70.8-168.3-2.6113.2W236 A266 I269 L273 I297 F310 L323W236-R271 HydrophobicContact CZ2-CB 4.41Å; A266-R271 PolarHBondContact N-O 2.89Å; A266-R271 PolarHBondContact O-N 2.77Å; I269-R271 HydrophobicContact CD1-CG 3.65Å; I269-R271 HydrophobicContact CG1-CG 3.92Å; I269-R271 PolarHBondContact O-N 3.28Å; I269-R271 VanDerWaalsContact O-N 3.12Å; R271-L273 HydrophobicContact CG-CD2 3.81Å; R271-L273 HydrophobicContact CG-CG 4.49Å; R271-I297 PolarHBondContact NH1-O 3.37Å; R271-I297 PolarHBondContact NH2-O 2.67Å; R271-F310 HydrophobicContact CB-CE1 4.01Å; R271-L323 VanDerWaalsContact CD-CD2 3.49Å; R271-L323 HydrophobicContact CG-CD2 4.28Å
272S96.8Very high95.8Very high17 Ų1740.2 Ų40.212%0.11921%0.205CC..EExtended strand (participates in β ladder)trans-82.1137.6166.2-69.40000111.8M243 N245 I264M243-S272 PolarHBondContact O-OG 3.4Å; N245-S272 PolarHBondContact N-OG 2.91Å; N245-S272 PolarHBondContact O-OG 2.89Å; I264-S272 CarbonylContact O-C 3.53Å; I264-S272 WeakPolarHBondContact O-CA 3.49Å
273L95.9Very high95.7Very high15 Ų1540.7 Ų40.78%0.07921%0.208CC..EExtended strand (participates in β ladder)trans-117.3145.5178-56.4-179.4000109.1Y263 I264 A266 I269 R271 F275 I297 F298Y263-L273 WeakPolarHBondContact CA-O 3.43Å; I264-L273 PolarHBondContact N-O 2.95Å; I264-L273 PolarHBondContact O-N 2.93Å; A266-L273 HydrophobicContact CB-CD1 4.25Å; I269-L273 HydrophobicContact CD1-CD1 3.86Å; I269-L273 HydrophobicContact CD1-CD2 3.91Å; I269-L273 HydrophobicContact CD1-CG 4.12Å; R271-L273 HydrophobicContact CG-CD2 3.81Å; R271-L273 HydrophobicContact CG-CG 4.49Å; L273-F275 HydrophobicContact CB-CD2 4.46Å; L273-F275 HydrophobicContact CB-CE2 3.74Å; L273-F275 HydrophobicContact CB-CZ 4.44Å; L273-F275 HydrophobicContact CD1-CE2 4.49Å; L273-F275 HydrophobicContact CD1-CZ 4.49Å; L273-I297 HydrophobicContact CB-CD1 4.32Å; L273-I297 HydrophobicContact CD2-CG2 3.59Å; L273-F298 HydrophobicContact CD2-CE1 4.35Å; L273-F298 HydrophobicContact CD2-CZ 3.96Å
274Q96.3Very high95.5Very high19 Ų1939.7 Ų39.79%0.08921%0.208CC..EExtended strand (participates in β ladder)trans-110.9128.9-178.8-171.9178.26.400110.5D261 L262 Y263 L294 I297D261-Q274 HydrophobicContact CB-CG 3.64Å; D261-Q274 VanDerWaalsContact CB-NE2 3.26Å; D261-Q274 VanDerWaalsContact CG-NE2 3.27Å; D261-Q274 PolarHBondContact OD2-NE2 3.24Å; L262-Q274 CarbonylContact O-C 3.58Å; L262-Q274 WeakPolarHBondContact O-CA 3.4Å; Y263-Q274 HydrophobicContact CD1-CB 4.13Å; Y263-Q274 HydrophobicContact CD1-CG 4.38Å; Y263-Q274 HydrophobicContact CE1-CB 3.81Å; Y263-Q274 HydrophobicContact CE1-CG 3.88Å; Y263-Q274 HydrophobicContact CE2-CG 4.17Å; Y263-Q274 VanDerWaalsContact OH-CD 3.24Å; Y263-Q274 PolarHBondContact OH-NE2 2.85Å; Y263-Q274 PolarHBondContact OH-OE1 2.93Å; Q274-L294 HydrophobicContact CB-CD1 4.11Å; Q274-L294 HydrophobicContact CG-CD1 3.53Å; Q274-L294 HydrophobicContact CG-CG 4.21Å; Q274-L294 PolarHBondContact O-N 3.1Å; Q274-I297 WeakPolarHBondContact O-CD1 3.27Å
275F97.2Very high95.4Very high7 Ų747.4 Ų47.43%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-114.6127.2-176.4-70.8-100.7000109.9D261 L262 I264 L273 F291 I292 P293 T363 I365D261-F275 CarbonylContact C-O 3.51Å; D261-F275 WeakPolarHBondContact CA-O 3.09Å; L262-F275 HydrophobicContact CB-CB 4.41Å; L262-F275 PolarHBondContact N-O 2.98Å; L262-F275 PolarHBondContact O-N 2.78Å; I264-F275 HydrophobicContact CB-CD2 4.43Å; I264-F275 HydrophobicContact CB-CE2 3.98Å; I264-F275 HydrophobicContact CD1-CD2 3.86Å; I264-F275 HydrophobicContact CD1-CE2 3.57Å; I264-F275 HydrophobicContact CD1-CZ 4.04Å; I264-F275 HydrophobicContact CG1-CD2 4.06Å; I264-F275 HydrophobicContact CG1-CE2 3.95Å; L273-F275 HydrophobicContact CB-CD2 4.46Å; L273-F275 HydrophobicContact CB-CE2 3.74Å; L273-F275 HydrophobicContact CB-CZ 4.44Å; L273-F275 HydrophobicContact CD1-CE2 4.49Å; L273-F275 HydrophobicContact CD1-CZ 4.49Å; F275-F291 HydrophobicContact CB-CB 4.25Å; F275-F291 HydrophobicContact CB-CD1 4.5Å; F275-I292 CarbonylContact C-O 3.58Å; F275-I292 VanDerWaalsContact CA-O 3.28Å; F275-I292 WeakPolarHBondContact CA-O 3.28Å; F275-I292 VanDerWaalsContact CD1-C 3.44Å; F275-P293 HydrophobicContact CD1-CG 4.18Å; F275-P293 HydrophobicContact CE1-CB 4.44Å; F275-P293 HydrophobicContact CE1-CG 3.6Å; F275-P293 HydrophobicContact CZ-CG 4.17Å; F275-T363 HydrophobicContact CE1-CG2 3.64Å; F275-T363 HydrophobicContact CZ-CG2 4.01Å; F275-I365 HydrophobicContact CD1-CD1 3.95Å; F275-I365 HydrophobicContact CE1-CD1 3.88Å; F275-I365 HydrophobicContact CE1-CG1 4.45Å; F275-I365 HydrophobicContact CG-CD1 4.39Å; F275-I365 HydrophobicContact CZ-CD1 4.25Å
276G96.5Very high95.3Very high6 Ų647.1 Ų47.16%0.06224%0.24CC..EExtended strand (participates in β ladder)trans-102.2155.8176.600000111.7D278 F291 I292G276-D278 PolarHBondContact O-N 3.12Å; G276-F291 VanDerWaalsContact C-CD1 3.43Å; G276-F291 VanDerWaalsContact O-CA 3.31Å; G276-F291 WeakPolarHBondContact O-CA 3.24Å; G276-F291 WeakPolarHBondContact O-CD1 3.22Å; G276-I292 PolarHBondContact N-O 2.88Å; G276-I292 PolarHBondContact O-N 3.33Å; G276-I292 VanDerWaalsContact O-N 3.07Å
277F97.6Very high95.4Very high66 Ų6649.1 Ų49.129%0.28925%0.252SS..EExtended strand (participates in β ladder)trans-64.1128.9172.4172.4-100.3000110.9K258 S279 I280 L289 F291K258-F277 HydrophobicContact CB-CB 4.49Å; K258-F277 HydrophobicContact CB-CD1 4.06Å; K258-F277 HydrophobicContact CB-CD2 4.28Å; K258-F277 HydrophobicContact CB-CE1 4.4Å; K258-F277 HydrophobicContact CB-CG 4Å; K258-F277 HydrophobicContact CD-CE1 4.07Å; K258-F277 HydrophobicContact CD-CE2 4.22Å; K258-F277 HydrophobicContact CD-CZ 3.89Å; K258-F277 HydrophobicContact CG-CD1 4.4Å; K258-F277 HydrophobicContact CG-CD2 4.06Å; K258-F277 HydrophobicContact CG-CE1 4.34Å; K258-F277 HydrophobicContact CG-CE2 4Å; K258-F277 HydrophobicContact CG-CG 4.26Å; K258-F277 HydrophobicContact CG-CZ 4.15Å; K258-F277 VanDerWaalsContact O-CB 3.22Å; K258-F277 WeakPolarHBondContact O-CB 3.24Å; F277-S279 VanDerWaalsContact CE2-C 3.4Å; F277-S279 VanDerWaalsContact CE2-O 3.25Å; F277-S279 WeakPolarHBondContact CE2-O 3.47Å; F277-I280 HydrophobicContact CE2-CG1 4.2Å; F277-I280 HydrophobicContact CZ-CG1 3.9Å; F277-L289 HydrophobicContact CD2-CB 4.21Å; F277-L289 HydrophobicContact CD2-CD2 4.31Å; F277-L289 HydrophobicContact CE2-CB 4.24Å; F277-L289 HydrophobicContact CE2-CD2 3.76Å; F277-L289 HydrophobicContact CE2-CG 4.48Å; F277-F291 HydrophobicContact CB-CE1 4.11Å; F277-F291 HydrophobicContact CB-CZ 4.45Å
278D95.9Very high95.6Very high67 Ų6746.3 Ų46.336%0.35823%0.233SC..EExtended strand (participates in β ladder)trans-101.1-59.1176.1175.372.3000110.9G276 K290 I292G276-D278 PolarHBondContact O-N 3.12Å; D278-K290 HydrophobicContact CB-CD 4.46Å; D278-K290 HydrophobicContact CB-CG 4.29Å; D278-K290 WeakPolarHBondContact CB-O 3.31Å; D278-K290 PolarHBondContact N-O 2.92Å; D278-K290 VanDerWaalsContact OD2-CD 3.29Å; D278-K290 WeakPolarHBondContact OD2-CD 3.38Å; D278-K290 WeakPolarHBondContact OD2-CE 3.22Å; D278-K290 IonicContact OD2-NZ 2.74Å; D278-K290 PolarHBondContact OD2-NZ 3.33Å; D278-I292 HydrophobicContact CB-CD1 4.12Å; D278-I292 HydrophobicContact CB-CG1 4.1Å; D278-I292 HydrophobicContact CB-CG2 4.17Å
279S96.9Very high96Very high34 Ų3443.9 Ų43.924%0.23822%0.219CC..EExtended strand (participates in β ladder)trans-161.3162.9-17254.10000112.9F277 K290F277-S279 VanDerWaalsContact CE2-C 3.4Å; F277-S279 VanDerWaalsContact CE2-O 3.25Å; F277-S279 WeakPolarHBondContact CE2-O 3.47Å; S279-K290 WeakPolarHBondContact O-CB 3.44Å; S279-K290 PolarHBondContact O-N 2.81Å
280I97.3Very high96.2Very high91 Ų9145.3 Ų45.347%0.46723%0.226SC..EExtended strand (participates in β ladder)trans-90.2127.1168-53.9174000108F277 L289F277-I280 HydrophobicContact CE2-CG1 4.2Å; F277-I280 HydrophobicContact CZ-CG1 3.9Å; I280-L289 HydrophobicContact CG1-CD2 4.19Å
281M95.9Very high96.4Very high84 Ų8444.6 Ų44.641%0.41422%0.221SC..EExtended strand (participates in β ladder)trans-119.3165.8177.1-67.4-64.9-72.700110.5P287 V288 K290 Y366M281-P287 WeakPolarHBondContact O-CA 3.41Å; M281-V288 HydrophobicContact CB-CG2 3.97Å; M281-V288 PolarHBondContact N-O 2.6Å; M281-V288 PolarHBondContact O-N 2.91Å; M281-K290 HydrophobicContact CG-CB 4.21Å; M281-K290 HydrophobicContact CG-CD 4.36Å; M281-Y366 HydrophobicContact CB-CD1 4.31Å; M281-Y366 HydrophobicContact CB-CE1 4.28Å; M281-Y366 HydrophobicContact CG-CE1 4.1Å
282K95.8Very high96.4Very high164 Ų16445.9 Ų45.971%0.71323%0.228SC*.EExtended strand (participates in β ladder)trans-122119171.2-69.9-178.2-178.7177.80109.5L286K282-L286 VanDerWaalsContact CA-O 3.31Å; K282-L286 WeakPolarHBondContact CA-O 3.46Å
283I95.2Very high96.3Very high19 Ų1945.8 Ų45.810%0.09723%0.227CC..EExtended strand (participates in β ladder)trans-106.3116.6172.3-59.2178.4000106.8K285 L286 V288 Y366 I375 R376 I420I283-K285 PolarHBondContact O-N 2.79Å; I283-K285 VanDerWaalsContact O-N 3.1Å; I283-L286 PolarHBondContact N-O 2.78Å; I283-L286 VanDerWaalsContact O-CB 3.31Å; I283-L286 WeakPolarHBondContact O-CB 3.28Å; I283-L286 PolarHBondContact O-N 3.01Å; I283-V288 HydrophobicContact CD1-CG2 4Å; I283-V288 HydrophobicContact CG1-CG2 3.97Å; I283-Y366 HydrophobicContact CD1-CD1 4.05Å; I283-Y366 HydrophobicContact CD1-CG 3.89Å; I283-I375 HydrophobicContact CB-CG2 4.23Å; I283-I375 HydrophobicContact CD1-CG2 4Å; I283-I375 HydrophobicContact CG2-CG2 4.19Å; I283-R376 HydrophobicContact CD1-CB 3.83Å; I283-I420 HydrophobicContact CG2-CD1 3.94Å
284N93.3Very high96.3Very high63 Ų6347.2 Ų47.234%0.33724%0.235SC..THydrogen-bonded Turntrans48.838.1-175-62.4-1.7000114.2L286 D417 I420 I424N284-L286 VanDerWaalsContact C-N 3.27Å; N284-L286 PolarHBondContact O-N 3.36Å; N284-D417 VanDerWaalsContact ND2-CG 3.3Å; N284-D417 PolarHBondContact ND2-OD1 3.27Å; N284-I420 HydrophobicContact CB-CG2 3.87Å; N284-I424 WeakPolarHBondContact O-CD1 3.31Å
285K93.6Very high96Very high180 Ų18051.3 Ų51.378%0.78327%0.265SS*.THydrogen-bonded Turntrans75.8-7.8-175.2-48.4169.9-178.2173.50115.8I283 P287 I424I283-K285 PolarHBondContact O-N 2.79Å; I283-K285 VanDerWaalsContact O-N 3.1Å; K285-P287 WeakPolarHBondContact O-CD 3.27Å; K285-I424 HydrophobicContact CB-CD1 4.39Å
286L96.4Very high95.8Very high1 Ų151.7 Ų51.71%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-73.9119.8171-175.370.7000109.4K282 I283 N284 V288 E368 I375 I420 F423 I424 I428K282-L286 VanDerWaalsContact CA-O 3.31Å; K282-L286 WeakPolarHBondContact CA-O 3.46Å; I283-L286 PolarHBondContact N-O 2.78Å; I283-L286 VanDerWaalsContact O-CB 3.31Å; I283-L286 WeakPolarHBondContact O-CB 3.28Å; I283-L286 PolarHBondContact O-N 3.01Å; N284-L286 VanDerWaalsContact C-N 3.27Å; N284-L286 PolarHBondContact O-N 3.36Å; L286-V288 HydrophobicContact CD2-CG1 4.3Å; L286-V288 HydrophobicContact CG-CG1 4.33Å; L286-E368 HydrophobicContact CD1-CG 4.29Å; L286-E368 HydrophobicContact CD2-CG 4.29Å; L286-E368 HydrophobicContact CG-CG 4.46Å; L286-I375 HydrophobicContact CD2-CD1 3.66Å; L286-I375 HydrophobicContact CD2-CG1 3.86Å; L286-I375 HydrophobicContact CD2-CG2 4.36Å; L286-I420 HydrophobicContact CB-CG2 3.89Å; L286-I420 HydrophobicContact CD2-CG2 4.13Å; L286-F423 HydrophobicContact CD1-CB 4.1Å; L286-F423 HydrophobicContact CD2-CB 3.95Å; L286-F423 HydrophobicContact CD2-CG 4.44Å; L286-I424 HydrophobicContact CB-CD1 4.15Å; L286-I424 HydrophobicContact CB-CG1 3.86Å; L286-I424 HydrophobicContact CD1-CG1 3.86Å; L286-I424 HydrophobicContact CG-CG1 4.44Å; L286-I428 HydrophobicContact CD1-CD1 4.16Å
287P96.5Very high95.6Very high47 Ų4751.6 Ų51.631%0.30527%0.266SS..EExtended strand (participates in β ladder)trans-69131.117329.6-33000110.4M281 K285 I428M281-P287 WeakPolarHBondContact O-CA 3.41Å; K285-P287 WeakPolarHBondContact O-CD 3.27Å; P287-I428 HydrophobicContact CG-CD1 4.03Å
288V97.6Very high95.4Very high1 Ų149.6 Ų49.61%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-133.9150.5179.9-63.10000109.8M281 I283 L286 Y366 I367 I375M281-V288 HydrophobicContact CB-CG2 3.97Å; M281-V288 PolarHBondContact N-O 2.6Å; M281-V288 PolarHBondContact O-N 2.91Å; I283-V288 HydrophobicContact CD1-CG2 4Å; I283-V288 HydrophobicContact CG1-CG2 3.97Å; L286-V288 HydrophobicContact CD2-CG1 4.3Å; L286-V288 HydrophobicContact CG-CG1 4.33Å; V288-Y366 HydrophobicContact CG2-CD1 4.01Å; V288-I367 CarbonylContact C-O 3.48Å; V288-I367 WeakPolarHBondContact CA-O 3.19Å; V288-I375 HydrophobicContact CG1-CB 4Å; V288-I375 HydrophobicContact CG1-CG1 3.63Å; V288-I375 HydrophobicContact CG1-CG2 4.29Å
289L98Very high95.4Very high9 Ų950.2 Ų50.25%0.04726%0.256CS..EExtended strand (participates in β ladder)trans-88.9125.2170.4-56.6-173.9000108.6I256 K258 F277 I280 F291 Y366 I367 P369I256-L289 HydrophobicContact CG2-CD1 3.85Å; K258-L289 HydrophobicContact CG-CD1 4.39Å; K258-L289 HydrophobicContact CG-CD2 4.21Å; F277-L289 HydrophobicContact CD2-CB 4.21Å; F277-L289 HydrophobicContact CD2-CD2 4.31Å; F277-L289 HydrophobicContact CE2-CB 4.24Å; F277-L289 HydrophobicContact CE2-CD2 3.76Å; F277-L289 HydrophobicContact CE2-CG 4.48Å; I280-L289 HydrophobicContact CG1-CD2 4.19Å; L289-F291 HydrophobicContact CB-CD2 4.11Å; L289-F291 HydrophobicContact CB-CE2 3.55Å; L289-F291 HydrophobicContact CB-CZ 4.45Å; L289-F291 HydrophobicContact CD1-CE2 4.08Å; L289-F291 HydrophobicContact CD1-CZ 4.33Å; L289-F291 HydrophobicContact CG-CE2 4.49Å; L289-Y366 WeakPolarHBondContact O-CA 3.19Å; L289-I367 PolarHBondContact N-O 3.22Å; L289-I367 PolarHBondContact O-N 3.08Å; L289-P369 HydrophobicContact CD1-CB 3.85Å; L289-P369 HydrophobicContact CG-CB 4.04Å; L289-P369 HydrophobicContact CG-CG 4.36Å
290K97.6Very high95.3Very high33 Ų3348.7 Ų48.714%0.14325%0.245CC..EExtended strand (participates in β ladder)trans-89.5126.7172.3-178.7-178.2164.8-145.40108.8D278 S279 M281 I365 Y366D278-K290 HydrophobicContact CB-CD 4.46Å; D278-K290 HydrophobicContact CB-CG 4.29Å; D278-K290 WeakPolarHBondContact CB-O 3.31Å; D278-K290 PolarHBondContact N-O 2.92Å; D278-K290 VanDerWaalsContact OD2-CD 3.29Å; D278-K290 WeakPolarHBondContact OD2-CD 3.38Å; D278-K290 WeakPolarHBondContact OD2-CE 3.22Å; D278-K290 IonicContact OD2-NZ 2.74Å; D278-K290 PolarHBondContact OD2-NZ 3.33Å; S279-K290 WeakPolarHBondContact O-CB 3.44Å; S279-K290 PolarHBondContact O-N 2.81Å; M281-K290 HydrophobicContact CG-CB 4.21Å; M281-K290 HydrophobicContact CG-CD 4.36Å; K290-I365 CarbonylContact C-O 3.57Å; K290-I365 WeakPolarHBondContact CA-O 3.31Å; K290-Y366 HydrophobicContact CB-CD1 4Å; K290-Y366 HydrophobicContact CB-CE1 3.94Å; K290-Y366 HydrophobicContact CD-CE1 3.74Å; K290-Y366 HydrophobicContact CG-CD1 4.15Å; K290-Y366 HydrophobicContact CG-CE1 3.73Å
291F97.6Very high95.2Very high1 Ų145 Ų450%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-115.9141.1175.1-75-95.7000110.2I256 L262 F275 G276 F277 L289 I365 I367I256-F291 HydrophobicContact CG2-CE2 3.92Å; I256-F291 HydrophobicContact CG2-CZ 3.63Å; L262-F291 HydrophobicContact CD1-CD1 3.9Å; L262-F291 HydrophobicContact CD1-CD2 4.04Å; L262-F291 HydrophobicContact CD1-CE1 3.78Å; L262-F291 HydrophobicContact CD1-CE2 3.89Å; L262-F291 HydrophobicContact CD1-CG 4.04Å; L262-F291 HydrophobicContact CD1-CZ 3.78Å; L262-F291 HydrophobicContact CG-CD1 4.16Å; L262-F291 HydrophobicContact CG-CE1 3.86Å; L262-F291 HydrophobicContact CG-CZ 4.19Å; F275-F291 HydrophobicContact CB-CB 4.25Å; F275-F291 HydrophobicContact CB-CD1 4.5Å; G276-F291 VanDerWaalsContact C-CD1 3.43Å; G276-F291 VanDerWaalsContact O-CA 3.31Å; G276-F291 WeakPolarHBondContact O-CA 3.24Å; G276-F291 WeakPolarHBondContact O-CD1 3.22Å; F277-F291 HydrophobicContact CB-CE1 4.11Å; F277-F291 HydrophobicContact CB-CZ 4.45Å; L289-F291 HydrophobicContact CB-CD2 4.11Å; L289-F291 HydrophobicContact CB-CE2 3.55Å; L289-F291 HydrophobicContact CB-CZ 4.45Å; L289-F291 HydrophobicContact CD1-CE2 4.08Å; L289-F291 HydrophobicContact CD1-CZ 4.33Å; L289-F291 HydrophobicContact CG-CE2 4.49Å; F291-I365 HydrophobicContact CB-CB 4.45Å; F291-I365 PolarHBondContact N-O 2.91Å; F291-I365 PolarHBondContact O-N 3.18Å; F291-I367 HydrophobicContact CD2-CD1 3.86Å; F291-I367 HydrophobicContact CD2-CG1 4.36Å; F291-I367 HydrophobicContact CE2-CD1 4.15Å
292I96Very high95Very high39 Ų3944.6 Ų44.620%0.222%0.223CC..EExtended strand (participates in β ladder)trans-132.8157.6176.565.8177.7000110F275 G276 D278 L294 M364F275-I292 CarbonylContact C-O 3.58Å; F275-I292 VanDerWaalsContact CA-O 3.28Å; F275-I292 WeakPolarHBondContact CA-O 3.28Å; F275-I292 VanDerWaalsContact CD1-C 3.44Å; G276-I292 PolarHBondContact N-O 2.88Å; G276-I292 PolarHBondContact O-N 3.33Å; G276-I292 VanDerWaalsContact O-N 3.07Å; D278-I292 HydrophobicContact CB-CD1 4.12Å; D278-I292 HydrophobicContact CB-CG1 4.1Å; D278-I292 HydrophobicContact CB-CG2 4.17Å; I292-L294 PolarHBondContact O-N 3.1Å; I292-M364 HydrophobicContact CG2-CG 4.31Å
293P95.7Very high94.8Very high15 Ų1545.4 Ų45.410%0.09722%0.223CC..EExtended strand (participates in β ladder)trans-51.2130.7170.9-2835.8000111.3F275 I297 T363F275-P293 HydrophobicContact CD1-CG 4.18Å; F275-P293 HydrophobicContact CE1-CB 4.44Å; F275-P293 HydrophobicContact CE1-CG 3.6Å; F275-P293 HydrophobicContact CZ-CG 4.17Å; P293-I297 HydrophobicContact CB-CD1 3.6Å; P293-T363 WeakPolarHBondContact CD-O 3.35Å
294L94.9Very high94.7Very high46 Ų4648.1 Ų48.124%0.24123%0.233CC..  trans-56.2142.2169.7-68.1-176.5000111.3Q274 I292 D296 I297Q274-L294 HydrophobicContact CB-CD1 4.11Å; Q274-L294 HydrophobicContact CG-CD1 3.53Å; Q274-L294 HydrophobicContact CG-CG 4.21Å; Q274-L294 PolarHBondContact O-N 3.1Å; I292-L294 PolarHBondContact O-N 3.1Å; L294-D296 WeakPolarHBondContact CB-OD1 3.42Å; L294-D296 PolarHBondContact O-N 2.94Å; L294-I297 HydrophobicContact CB-CD1 4.47Å; L294-I297 HydrophobicContact CB-CG1 4.14Å; L294-I297 WeakPolarHBondContact O-CG1 3.42Å; L294-I297 PolarHBondContact O-N 2.83Å; L294-I297 VanDerWaalsContact O-N 3.14Å
295S90Very high94.7Very high104 Ų10451.4 Ų51.473%0.72725%0.246SC*.THydrogen-bonded Turntrans-60.3-13.8-178.464.70000114.4K299S295-K299 WeakPolarHBondContact O-CE 3.32Å
296D93.3Very high94.7Very high16 Ų1647.2 Ų47.29%0.08623%0.228CC..THydrogen-bonded Turntrans-95.8-11.5-177.979.6-26.4000114.3L294 F298 K299 Y304 K306 N307L294-D296 WeakPolarHBondContact CB-OD1 3.42Å; L294-D296 PolarHBondContact O-N 2.94Å; D296-F298 VanDerWaalsContact C-N 3.26Å; D296-F298 PolarHBondContact O-N 3.32Å; D296-K299 HydrophobicContact CB-CD 4.22Å; D296-K299 PolarHBondContact O-N 2.88Å; D296-Y304 HydrophobicContact CB-CD1 4.39Å; D296-Y304 HydrophobicContact CB-CE1 3.55Å; D296-Y304 HydrophobicContact CB-CE2 4.41Å; D296-Y304 WeakPolarHBondContact CB-OH 3.46Å; D296-Y304 VanDerWaalsContact OD2-CE1 3.26Å; D296-Y304 WeakPolarHBondContact OD2-CE1 3.3Å; D296-Y304 PolarHBondContact OD2-OH 3.1Å; D296-K306 IonicContact OD1-NZ 3.56Å; D296-K306 IonicContact OD2-NZ 3.59Å; D296-K306 PolarHBondContact OD2-NZ 2.68Å; D296-N307 PolarHBondContact O-ND2 2.93Å
297I92.6Very high94.7Very high4 Ų447.4 Ų47.42%0.02123%0.229CC..THydrogen-bonded Turntrans-56.5-40.3-173.2-69.1176.4000112.9R271 L273 Q274 P293 L294 N307R271-I297 PolarHBondContact NH1-O 3.37Å; R271-I297 PolarHBondContact NH2-O 2.67Å; L273-I297 HydrophobicContact CB-CD1 4.32Å; L273-I297 HydrophobicContact CD2-CG2 3.59Å; Q274-I297 WeakPolarHBondContact O-CD1 3.27Å; P293-I297 HydrophobicContact CB-CD1 3.6Å; L294-I297 HydrophobicContact CB-CD1 4.47Å; L294-I297 HydrophobicContact CB-CG1 4.14Å; L294-I297 WeakPolarHBondContact O-CG1 3.42Å; L294-I297 PolarHBondContact O-N 2.83Å; L294-I297 VanDerWaalsContact O-N 3.14Å; I297-N307 PolarHBondContact O-ND2 3.27Å
298F92.6Very high94.6Very high23 Ų2348.9 Ų48.910%0.10123%0.23CC..THydrogen-bonded Turntrans-112.713.3-175.1-59-71.1000112.6L273 D296 G321 Q338L273-F298 HydrophobicContact CD2-CE1 4.35Å; L273-F298 HydrophobicContact CD2-CZ 3.96Å; D296-F298 VanDerWaalsContact C-N 3.26Å; D296-F298 PolarHBondContact O-N 3.32Å; F298-G321 PolarHBondContact O-N 2.88Å; F298-Q338 HydrophobicContact CE2-CG 4.47Å
299K95.8Very high94.5Very high81 Ų8148.9 Ų48.935%0.35223%0.231SC..SBendtrans-60.8146.9171.6-77.7-175.6-178.7179.60111S295 D296 Y304 N307S295-K299 WeakPolarHBondContact O-CE 3.32Å; D296-K299 HydrophobicContact CB-CD 4.22Å; D296-K299 PolarHBondContact O-N 2.88Å; K299-Y304 HydrophobicContact CB-CD1 4.28Å; K299-Y304 HydrophobicContact CB-CG 4.06Å; K299-Y304 HydrophobicContact CD-CD2 4.2Å; K299-Y304 HydrophobicContact CD-CG 4.35Å; K299-N307 PolarHBondContact N-ND2 2.88Å; K299-N307 PolarHBondContact O-ND2 3.41Å
300S96.2Very high94.4Very high1 Ų149.5 Ų49.51%0.00723%0.233CC..  trans-57.8132.2-174.1-178.30000111.3K302 Y303 Y304 Y318 D320S300-K302 PolarHBondContact O-N 2.81Å; S300-K302 WeakPolarHBondContact OG-CB 3.36Å; S300-K302 WeakPolarHBondContact OG-CG 3.16Å; S300-K302 PolarHBondContact OG-N 3.37Å; S300-Y303 PolarHBondContact O-N 2.86Å; S300-Y303 VanDerWaalsContact O-N 3.12Å; S300-Y304 PolarHBondContact O-N 3.47Å; S300-Y318 PolarHBondContact OG-O 2.94Å; S300-D320 WeakPolarHBondContact CB-OD1 3.34Å; S300-D320 PolarHBondContact N-OD1 3.27Å
301P94.3Very high94.3Very high13 Ų1348.3 Ų48.38%0.08423%0.229CC..THydrogen-bonded Turntrans-55.4-22.1170.7-26.335.4000113.8Y303 N307 K308 C311 C317P301-Y303 VanDerWaalsContact C-N 3.29Å; P301-Y303 PolarHBondContact O-N 2.82Å; P301-N307 WeakPolarHBondContact CB-O 3.34Å; P301-N307 HydrophobicContact CG-CB 4.43Å; P301-N307 WeakPolarHBondContact CG-O 3.31Å; P301-K308 WeakPolarHBondContact O-CG 3.37Å; P301-C311 HydrophobicContact CB-CB 3.69Å; P301-C311 HydrophobicContact CG-CB 3.98Å; P301-C317 HydrophobicContact CB-CB 4.17Å; P301-C317 HydrophobicContact CG-CB 4.32Å
302K92Very high94Very high76 Ų7649.2 Ų49.233%0.3323%0.234SC..THydrogen-bonded Turntrans-62.5-37.1178.3-63.5177.2-174164.20112.3S300 C317 D319S300-K302 PolarHBondContact O-N 2.81Å; S300-K302 WeakPolarHBondContact OG-CB 3.36Å; S300-K302 WeakPolarHBondContact OG-CG 3.16Å; S300-K302 PolarHBondContact OG-N 3.37Å; K302-C317 WeakPolarHBondContact CE-O 3.4Å; K302-C317 HydrophobicContact CG-CB 4.07Å; K302-C317 PolarHBondContact NZ-O 2.98Å; K302-C317 VanDerWaalsContact NZ-O 3.08Å; K302-D319 IonicContact NZ-OD1 2.89Å; K302-D319 PolarHBondContact NZ-OD1 2.87Å; K302-D319 IonicContact NZ-OD2 3.77Å
303Y91.1Very high93.6Very high181 Ų18152 Ų5271%0.7125%0.249SC*.THydrogen-bonded Turntrans-120.3-12.3-168.7-48.9-60.4000113S300 P301S300-Y303 PolarHBondContact O-N 2.86Å; S300-Y303 VanDerWaalsContact O-N 3.12Å; P301-Y303 VanDerWaalsContact C-N 3.29Å; P301-Y303 PolarHBondContact O-N 2.82Å
304Y94.2Very high93.4Very high76 Ų7658.5 Ų58.530%0.29827%0.272SS..  trans-122.3111-176.4-157.2-111.5000112.4D296 K299 S300 K306 N307 K308D296-Y304 HydrophobicContact CB-CD1 4.39Å; D296-Y304 HydrophobicContact CB-CE1 3.55Å; D296-Y304 HydrophobicContact CB-CE2 4.41Å; D296-Y304 WeakPolarHBondContact CB-OH 3.46Å; D296-Y304 VanDerWaalsContact OD2-CE1 3.26Å; D296-Y304 WeakPolarHBondContact OD2-CE1 3.3Å; D296-Y304 PolarHBondContact OD2-OH 3.1Å; K299-Y304 HydrophobicContact CB-CD1 4.28Å; K299-Y304 HydrophobicContact CB-CG 4.06Å; K299-Y304 HydrophobicContact CD-CD2 4.2Å; K299-Y304 HydrophobicContact CD-CG 4.35Å; S300-Y304 PolarHBondContact O-N 3.47Å; Y304-K306 VanDerWaalsContact C-N 3.33Å; Y304-K306 HydrophobicContact CD1-CB 3.83Å; Y304-K306 HydrophobicContact CE1-CB 3.58Å; Y304-K306 HydrophobicContact CE1-CD 3.97Å; Y304-K306 HydrophobicContact CE1-CG 4.4Å; Y304-K306 PolarHBondContact O-N 3.21Å; Y304-N307 PolarHBondContact O-N 3.4Å; Y304-K308 PolarHBondContact O-N 2.87Å
305E93.1Very high93.2Very high132 Ų13260.3 Ų60.362%0.61729%0.286SS*.G310 helixtrans-54.2-45.7-171.8-169.963.3-150.900112.9N307 K308E305-N307 PolarHBondContact O-N 3.41Å; E305-N307 VanDerWaalsContact O-N 3.07Å; E305-K308 WeakPolarHBondContact O-CB 3.01Å; E305-K308 PolarHBondContact O-N 2.92Å; E305-K308 VanDerWaalsContact O-N 3.08Å; E305-K308 WeakPolarHBondContact OE1-CD 3.22Å; E305-K308 IonicContact OE1-NZ 3.21Å; E305-K308 PolarHBondContact OE1-NZ 3.32Å; E305-K308 WeakPolarHBondContact OE2-CD 3.26Å; E305-K308 WeakPolarHBondContact OE2-CE 3.44Å; E305-K308 IonicContact OE2-NZ 2.64Å; E305-K308 PolarHBondContact OE2-NZ 2.95Å
306K93.6Very high93.2Very high93 Ų9361.9 Ų61.940%0.40429%0.287SS..G310 helixtrans-56.5-28.2-179.2-174-177.5175.7-174.20112.7D296 Y304D296-K306 IonicContact OD1-NZ 3.56Å; D296-K306 IonicContact OD2-NZ 3.59Å; D296-K306 PolarHBondContact OD2-NZ 2.68Å; Y304-K306 VanDerWaalsContact C-N 3.33Å; Y304-K306 HydrophobicContact CD1-CB 3.83Å; Y304-K306 HydrophobicContact CE1-CB 3.58Å; Y304-K306 HydrophobicContact CE1-CD 3.97Å; Y304-K306 HydrophobicContact CE1-CG 4.4Å; Y304-K306 PolarHBondContact O-N 3.21Å
307N96Very high93.3Very high5 Ų561.7 Ų61.73%0.02729%0.287CS..G310 helixtrans-100.1-1.9-176.4-65.7-17.5000114D296 I297 K299 P301 Y304 E305 G309 F310D296-N307 PolarHBondContact O-ND2 2.93Å; I297-N307 PolarHBondContact O-ND2 3.27Å; K299-N307 PolarHBondContact N-ND2 2.88Å; K299-N307 PolarHBondContact O-ND2 3.41Å; P301-N307 WeakPolarHBondContact CB-O 3.34Å; P301-N307 HydrophobicContact CG-CB 4.43Å; P301-N307 WeakPolarHBondContact CG-O 3.31Å; Y304-N307 PolarHBondContact O-N 3.4Å; E305-N307 PolarHBondContact O-N 3.41Å; E305-N307 VanDerWaalsContact O-N 3.07Å; N307-G309 PolarHBondContact O-N 2.88Å; N307-G309 VanDerWaalsContact O-N 3.13Å; N307-F310 HydrophobicContact CB-CD2 4.23Å; N307-F310 PolarHBondContact O-N 2.95Å
308K94.7Very high93.4Very high77 Ų7764 Ų6434%0.33530%0.295SS..G310 helixtrans-52.1-38.4178.7-80.9-173.6176.7170.20113.2P301 Y304 E305 F310 C311 W314P301-K308 WeakPolarHBondContact O-CG 3.37Å; Y304-K308 PolarHBondContact O-N 2.87Å; E305-K308 WeakPolarHBondContact O-CB 3.01Å; E305-K308 PolarHBondContact O-N 2.92Å; E305-K308 VanDerWaalsContact O-N 3.08Å; E305-K308 WeakPolarHBondContact OE1-CD 3.22Å; E305-K308 IonicContact OE1-NZ 3.21Å; E305-K308 PolarHBondContact OE1-NZ 3.32Å; E305-K308 WeakPolarHBondContact OE2-CD 3.26Å; E305-K308 WeakPolarHBondContact OE2-CE 3.44Å; E305-K308 IonicContact OE2-NZ 2.64Å; E305-K308 PolarHBondContact OE2-NZ 2.95Å; K308-F310 PolarHBondContact O-N 2.95Å; K308-C311 PolarHBondContact O-N 3.11Å; K308-C311 VanDerWaalsContact O-N 3.15Å; K308-W314 HydrophobicContact CD-CH2 4.36Å; K308-W314 HydrophobicContact CD-CZ3 4.48Å; K308-W314 HydrophobicContact CG-CH2 4.41Å; K308-W314 HydrophobicContact CG-CZ3 4.13Å
309G95.5Very high93.5Very high2 Ų264.7 Ų64.72%0.02130%0.3CS..G310 helixtrans-63.7-18.1179.900000115.6K237 T238 N307K237-G309 PolarHBondContact N-O 3.38Å; T238-G309 WeakPolarHBondContact OG1-CA 2.89Å; N307-G309 PolarHBondContact O-N 2.88Å; N307-G309 VanDerWaalsContact O-N 3.13Å
310F95.4Very high93.6Very high22 Ų2263.6 Ų63.610%0.09630%0.298CS..G310 helixtrans-91.1-1.2178.5-58.2-67.9000113.3W236 A241 R271 N307 K308 L323W236-F310 HydrophobicContact CB-CD1 4.46Å; W236-F310 AromaticContact CD1-CE1 3.9Å; W236-F310 AromaticContact CD2-CD1 3.56Å; W236-F310 HydrophobicContact CD2-CD1 3.56Å; W236-F310 HydrophobicContact CD2-CE1 4.04Å; W236-F310 AromaticContact CE2-CD1 3.83Å; W236-F310 HydrophobicContact CE3-CB 4.5Å; W236-F310 AromaticContact CE3-CD1 3.87Å; W236-F310 HydrophobicContact CE3-CD1 3.87Å; W236-F310 AromaticContact CG-CD1 3.82Å; W236-F310 HydrophobicContact CG-CD1 3.82Å; W236-F310 AromaticContact CG-CE1 3.94Å; W236-F310 HydrophobicContact CG-CE1 3.94Å; W236-F310 HydrophobicContact CZ2-CD1 4.36Å; W236-F310 HydrophobicContact CZ3-CD1 4.38Å; W236-F310 AromaticContact NE1-CE1 3.91Å; A241-F310 HydrophobicContact CB-CD1 4.03Å; A241-F310 HydrophobicContact CB-CE1 3.65Å; A241-F310 HydrophobicContact CB-CE2 4.2Å; A241-F310 HydrophobicContact CB-CG 4.45Å; A241-F310 HydrophobicContact CB-CZ 3.73Å; R271-F310 HydrophobicContact CB-CE1 4.01Å; N307-F310 HydrophobicContact CB-CD2 4.23Å; N307-F310 PolarHBondContact O-N 2.95Å; K308-F310 PolarHBondContact O-N 2.95Å; F310-L323 HydrophobicContact CB-CD1 4.15Å; F310-L323 HydrophobicContact CD1-CD1 4.4Å; F310-L323 HydrophobicContact CG-CD1 4.44Å
311C95.3Very high93.6Very high8 Ų863.6 Ų63.65%0.05430%0.298CS..  trans-87.2112.9172-178.40000111.3K237 P301 K308 W314 C317K237-C311 WeakPolarHBondContact CG-O 3.23Å; P301-C311 HydrophobicContact CB-CB 3.69Å; P301-C311 HydrophobicContact CG-CB 3.98Å; K308-C311 PolarHBondContact O-N 3.11Å; K308-C311 VanDerWaalsContact O-N 3.15Å; C311-W314 HydrophobicContact CB-CE3 4.33Å; C311-C317 HydrophobicContact CB-CB 3.82Å; C311-C317 WeakPolarHBondContact CB-SG 3.45Å; C311-C317 VanDerWaalsContact SG-CA 3.54Å; C311-C317 WeakPolarHBondContact SG-CB 3.32Å; C311-C317 CovalentContact SG-SG 2.02Å; C311-C317 PolarHBondContact SG-SG 3.23Å
312L91.5Very high93.7Very high19 Ų1963.6 Ų63.610%0.09930%0.298CS..SBendtrans-78.6-30.2-176.4-60.9177.1000113.4W236 K237 D324 S326W236-L312 HydrophobicContact CE3-CD2 3.97Å; W236-L312 HydrophobicContact CZ3-CD1 4.48Å; W236-L312 HydrophobicContact CZ3-CD2 4.25Å; W236-L312 HydrophobicContact CZ3-CG 4.47Å; K237-L312 WeakPolarHBondContact CE-O 3.12Å; K237-L312 PolarHBondContact NZ-O 2.88Å; L312-D324 HydrophobicContact CD1-CB 4.23Å; L312-S326 VanDerWaalsContact CD1-OG 3.23Å; L312-S326 WeakPolarHBondContact CD1-OG 3.34Å
313N88.1Confident93.9Very high97 Ų9760.1 Ų60.152%0.51928%0.283SS..SBendtrans-123.258.4-172-66.3-32.6000112.2N316N313-N316 CarbonylContact O-C 3.53Å; N313-N316 VanDerWaalsContact O-CA 3.28Å; N313-N316 WeakPolarHBondContact O-CA 3.42Å; N313-N316 WeakPolarHBondContact O-CB 3.49Å; N313-N316 PolarHBondContact O-N 2.85Å
314W90.6Very high94Very high152 Ų15252.5 Ų52.558%0.57625%0.254SS*.THydrogen-bonded Turntrans-56.5136.4-179.8-171.9-88.8000112.5K308 C311K308-W314 HydrophobicContact CD-CH2 4.36Å; K308-W314 HydrophobicContact CD-CZ3 4.48Å; K308-W314 HydrophobicContact CG-CH2 4.41Å; K308-W314 HydrophobicContact CG-CZ3 4.13Å; C311-W314 HydrophobicContact CB-CE3 4.33Å
315P90.5Very high94Very high85 Ų8549 Ų4955%0.55224%0.24SC*.THydrogen-bonded Turncis-88.45.71.135.9-36.1000114.9C317P315-C317 VanDerWaalsContact C-N 3.29Å; P315-C317 PolarHBondContact O-N 2.81Å
316N91.2Very high93.7Very high137 Ų13744.4 Ų44.473%0.73322%0.223SC*.  trans-81.267.2-176.8-60.1-34.3000112N313N313-N316 CarbonylContact O-C 3.53Å; N313-N316 VanDerWaalsContact O-CA 3.28Å; N313-N316 WeakPolarHBondContact O-CA 3.42Å; N313-N316 WeakPolarHBondContact O-CB 3.49Å; N313-N316 PolarHBondContact O-N 2.85Å
317C94Very high93.5Very high12 Ų1241.8 Ų41.88%0.08122%0.216CC..  trans-93.1159.8177.2-41.90000111.5P301 K302 C311 P315P301-C317 HydrophobicContact CB-CB 4.17Å; P301-C317 HydrophobicContact CG-CB 4.32Å; K302-C317 WeakPolarHBondContact CE-O 3.4Å; K302-C317 HydrophobicContact CG-CB 4.07Å; K302-C317 PolarHBondContact NZ-O 2.98Å; K302-C317 VanDerWaalsContact NZ-O 3.08Å; C311-C317 HydrophobicContact CB-CB 3.82Å; C311-C317 WeakPolarHBondContact CB-SG 3.45Å; C311-C317 VanDerWaalsContact SG-CA 3.54Å; C311-C317 WeakPolarHBondContact SG-CB 3.32Å; C311-C317 CovalentContact SG-SG 2.02Å; C311-C317 PolarHBondContact SG-SG 3.23Å; P315-C317 VanDerWaalsContact C-N 3.29Å; P315-C317 PolarHBondContact O-N 2.81Å
318Y95.3Very high93.2Very high53 Ų5342.6 Ų42.621%0.20822%0.222CC..  trans-72.2158.6169.5-64-74.9000111.8S300 I322 D324 V335 V386 L403S300-Y318 PolarHBondContact OG-O 2.94Å; Y318-I322 HydrophobicContact CD1-CG2 4.07Å; Y318-I322 HydrophobicContact CD2-CG2 3.79Å; Y318-I322 HydrophobicContact CE2-CG2 4.43Å; Y318-I322 HydrophobicContact CG-CB 4.11Å; Y318-I322 HydrophobicContact CG-CG2 3.6Å; Y318-D324 HydrophobicContact CD2-CB 4.17Å; Y318-D324 HydrophobicContact CE2-CB 3.85Å; Y318-V335 HydrophobicContact CE2-CG1 3.81Å; Y318-V386 WeakPolarHBondContact OH-CG2 3.31Å; Y318-L403 HydrophobicContact CE1-CD2 4.06Å
319D96Very high92.7Very high37 Ų3743.2 Ų43.220%0.19823%0.226CC..  trans-78-176.6170.4-63.6-38.3000110.4K302 N345 Y348K302-D319 IonicContact NZ-OD1 2.89Å; K302-D319 PolarHBondContact NZ-OD1 2.87Å; K302-D319 IonicContact NZ-OD2 3.77Å; D319-N345 HydrophobicContact CB-CB 3.85Å; D319-Y348 HydrophobicContact CB-CE2 4.02Å; D319-Y348 PolarHBondContact N-OH 3.39Å
320D96.9Very high91.5Very high57 Ų5748.3 Ų48.331%0.30526%0.262SS..THydrogen-bonded Turntrans-50.7142.4-175-64.5-8.1000112.9S300 A344 N345S300-D320 WeakPolarHBondContact CB-OD1 3.34Å; S300-D320 PolarHBondContact N-OD1 3.27Å; D320-A344 CarbonylContact O-C 3.43Å; D320-A344 WeakPolarHBondContact O-CA 3.29Å; D320-A344 WeakPolarHBondContact O-CB 3.14Å; D320-N345 PolarHBondContact O-N 2.87Å
321G96.1Very high90.1Very high2 Ų248.7 Ų48.72%0.02127%0.271CS..THydrogen-bonded Turntrans90.7-0.5171.500000116.4F298 S337F298-G321 PolarHBondContact O-N 2.88Å; G321-S337 WeakPolarHBondContact O-CA 3.33Å; G321-S337 WeakPolarHBondContact O-CB 3.43Å
322I96.5Very high89.4Confident13 Ų1349.6 Ų49.67%0.06728%0.279CS..  trans-118.6132.5-172.7-53.2-58.3000111.6Y318 V335 F341 Y348 L403Y318-I322 HydrophobicContact CD1-CG2 4.07Å; Y318-I322 HydrophobicContact CD2-CG2 3.79Å; Y318-I322 HydrophobicContact CE2-CG2 4.43Å; Y318-I322 HydrophobicContact CG-CB 4.11Å; Y318-I322 HydrophobicContact CG-CG2 3.6Å; I322-V335 HydrophobicContact CG2-CB 3.72Å; I322-V335 HydrophobicContact CG2-CG1 4.16Å; I322-V335 HydrophobicContact CG2-CG2 3.86Å; I322-F341 HydrophobicContact CD1-CD1 3.98Å; I322-F341 HydrophobicContact CD1-CE1 4.08Å; I322-Y348 HydrophobicContact CD1-CD2 3.99Å; I322-Y348 HydrophobicContact CD1-CE2 4.12Å; I322-Y348 HydrophobicContact CD1-CG 4.4Å; I322-Y348 HydrophobicContact CG1-CD2 3.74Å; I322-Y348 HydrophobicContact CG1-CE2 3.35Å; I322-Y348 HydrophobicContact CG1-CG 4.46Å; I322-L403 HydrophobicContact CD1-CD1 3.63Å; I322-L403 HydrophobicContact CG1-CD1 3.79Å; I322-L403 HydrophobicContact CG2-CD1 4.11Å
323L95.4Very high89.3Confident3 Ų349.3 Ų49.32%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-115.3123171.2179.767.1000110.4W236 I269 R271 F310 M325 V335 I336W236-L323 HydrophobicContact CH2-CD1 3.81Å; W236-L323 HydrophobicContact CH2-CD2 4.46Å; W236-L323 HydrophobicContact CH2-CG 4.23Å; W236-L323 HydrophobicContact CZ2-CD1 4.43Å; W236-L323 HydrophobicContact CZ3-CD1 4.18Å; I269-L323 HydrophobicContact CB-CD2 4.17Å; I269-L323 HydrophobicContact CD1-CD2 4.32Å; R271-L323 VanDerWaalsContact CD-CD2 3.49Å; R271-L323 HydrophobicContact CG-CD2 4.28Å; F310-L323 HydrophobicContact CB-CD1 4.15Å; F310-L323 HydrophobicContact CD1-CD1 4.4Å; F310-L323 HydrophobicContact CG-CD1 4.44Å; L323-M325 HydrophobicContact CD2-SD 3.8Å; L323-M325 HydrophobicContact CG-SD 4.1Å; L323-M325 PolarHBondContact O-N 3.47Å; L323-V335 CarbonylContact O-C 3.49Å; L323-V335 VanDerWaalsContact O-CA 3.24Å; L323-V335 WeakPolarHBondContact O-CA 3.4Å; L323-V335 WeakPolarHBondContact O-CB 3.18Å; L323-I336 HydrophobicContact CB-CB 4.43Å; L323-I336 PolarHBondContact N-O 2.98Å; L323-I336 PolarHBondContact O-N 2.88Å
324D94.3Very high89.6Confident20 Ų2046.6 Ų46.611%0.10726%0.264CS..EExtended strand (participates in β ladder)trans-76.8119.8175-168.2-26.8000110.8W236 L312 Y318 S326W236-D324 WeakPolarHBondContact CH2-O 3.29Å; W236-D324 WeakPolarHBondContact CZ3-O 3.17Å; L312-D324 HydrophobicContact CD1-CB 4.23Å; Y318-D324 HydrophobicContact CD2-CB 4.17Å; Y318-D324 HydrophobicContact CE2-CB 3.85Å; D324-S326 WeakPolarHBondContact OD1-CB 3.33Å; D324-S326 PolarHBondContact OD1-N 3.01Å; D324-S326 PolarHBondContact OD1-OG 2.89Å
325M93.4Very high89.9Confident3 Ų339.4 Ų39.42%0.01524%0.237CC..  trans-94.30.1-177.9-68-56.2-63.300113.9I269 L323 S327 C328 Q329 I334 I336I269-M325 VanDerWaalsContact CA-CE 3.46Å; I269-M325 HydrophobicContact CB-CE 4.25Å; I269-M325 HydrophobicContact CB-SD 4.18Å; L323-M325 HydrophobicContact CD2-SD 3.8Å; L323-M325 HydrophobicContact CG-SD 4.1Å; L323-M325 PolarHBondContact O-N 3.47Å; M325-S327 PolarHBondContact O-N 2.89Å; M325-C328 HydrophobicContact CE-CB 3.58Å; M325-C328 WeakPolarHBondContact CE-SG 3.49Å; M325-C328 PolarHBondContact O-N 2.78Å; M325-Q329 HydrophobicContact CE-CG 4.36Å; M325-Q329 PolarHBondContact O-N 3.16Å; M325-I334 HydrophobicContact CB-CB 4.49Å; M325-I334 HydrophobicContact CB-CG2 4.37Å; M325-I334 WeakPolarHBondContact CB-O 3.38Å; M325-I334 HydrophobicContact CG-CG2 4.49Å; M325-I334 PolarHBondContact N-O 3.05Å; M325-I334 VanDerWaalsContact N-O 3.14Å; M325-I336 HydrophobicContact CG-CB 4.33Å; M325-I336 HydrophobicContact CG-CD1 4.39Å; M325-I336 HydrophobicContact CG-CG1 3.4Å; M325-I336 HydrophobicContact SD-CG1 3.9Å
326S88.4Confident90.1Very high36 Ų3635.9 Ų35.925%0.25221%0.213SC..THydrogen-bonded Turntrans-60.5-23.2-171.256.50000115L312 D324 G331L312-S326 VanDerWaalsContact CD1-OG 3.23Å; L312-S326 WeakPolarHBondContact CD1-OG 3.34Å; D324-S326 WeakPolarHBondContact OD1-CB 3.33Å; D324-S326 PolarHBondContact OD1-N 3.01Å; D324-S326 PolarHBondContact OD1-OG 2.89Å; S326-G331 PolarHBondContact O-N 2.88Å
327S88.5Confident90.4Very high38 Ų3829.4 Ų29.427%0.26618%0.179SC..THydrogen-bonded Turntrans-85.8-30.3173.869.40000114.3C235 M325C235-S327 WeakPolarHBondContact O-CB 3.41Å; C235-S327 PolarHBondContact O-OG 3.31Å; M325-S327 PolarHBondContact O-N 2.89Å
328C89.8Confident90.6Very high22 Ų2229.3 Ų29.315%0.14918%0.177CC..THydrogen-bonded Turntrans-82.7-37.8177.3170.40000111C270 M325C270-C328 HydrophobicContact CB-CB 3.54Å; C270-C328 WeakPolarHBondContact CB-SG 3.39Å; C270-C328 WeakPolarHBondContact SG-CB 3.31Å; C270-C328 CovalentContact SG-SG 2.02Å; C270-C328 PolarHBondContact SG-SG 2.94Å; M325-C328 HydrophobicContact CE-CB 3.58Å; M325-C328 WeakPolarHBondContact CE-SG 3.49Å; M325-C328 PolarHBondContact O-N 2.78Å
329Q83.2Confident90.7Very high89 Ų8926.8 Ų26.842%0.41617%0.167SC..THydrogen-bonded Turntrans-114.386176.9-62.7-63.5-22.700108.3M325 G331 A332M325-Q329 HydrophobicContact CE-CG 4.36Å; M325-Q329 PolarHBondContact O-N 3.16Å; Q329-G331 PolarHBondContact O-N 2.78Å; Q329-A332 HydrophobicContact CB-CB 4.38Å; Q329-A332 PolarHBondContact O-N 3.15Å; Q329-A332 VanDerWaalsContact O-N 3.09Å
330S70.4Confident90.8Very high110 Ų11025.2 Ų25.277%0.76916%0.159SC*.THydrogen-bonded Turntrans-46.7102-166.2-74.80000114.1A332S330-A332 VanDerWaalsContact C-N 3.34Å; S330-A332 PolarHBondContact O-N 3.24Å
331G67Low90.9Very high29 Ų2922.5 Ų22.530%0.29914%0.144SC..THydrogen-bonded Turntrans77.58.9171.500000116S326 Q329S326-G331 PolarHBondContact O-N 2.88Å; Q329-G331 PolarHBondContact O-N 2.78Å
332A80.7Confident90.9Very high27 Ų2722.9 Ų22.922%0.22315%0.145CC..  trans-78.7130.5168.500000109.1Q329 S330 I334Q329-A332 HydrophobicContact CB-CB 4.38Å; Q329-A332 PolarHBondContact O-N 3.15Å; Q329-A332 VanDerWaalsContact O-N 3.09Å; S330-A332 VanDerWaalsContact C-N 3.34Å; S330-A332 PolarHBondContact O-N 3.24Å; A332-I334 HydrophobicContact CB-CD1 3.79Å; A332-I334 HydrophobicContact CB-CG1 3.97Å; A332-I334 PolarHBondContact O-N 2.77Å
333P90Very high90.8Very high14 Ų1427 Ų279%0.09117%0.168CC..  trans-77.348179.430.8-32.2000111.4I135 A136 T139 I385 V386I135-P333 HydrophobicContact CB-CG 4.46Å; I135-P333 HydrophobicContact CG2-CB 4.37Å; I135-P333 HydrophobicContact CG2-CG 3.7Å; A136-P333 HydrophobicContact CB-CG 4.29Å; T139-P333 HydrophobicContact CG2-CB 4.33Å; P333-I385 HydrophobicContact CG-CD1 4.19Å; P333-I385 HydrophobicContact CG-CG1 4.07Å; P333-I385 WeakPolarHBondContact O-CA 3.35Å; P333-I385 WeakPolarHBondContact O-CG1 3.3Å; P333-V386 HydrophobicContact CB-CB 4.42Å; P333-V386 WeakPolarHBondContact O-CG2 3.49Å; P333-V386 PolarHBondContact O-N 3.04Å
334I93.7Very high90.9Very high40 Ų4027.4 Ų27.421%0.20517%0.171CC..EExtended strand (participates in β ladder)trans-98.9137.8-176-65.3172.3000109.4M325 A332 I336 I383 N384M325-I334 HydrophobicContact CB-CB 4.49Å; M325-I334 HydrophobicContact CB-CG2 4.37Å; M325-I334 WeakPolarHBondContact CB-O 3.38Å; M325-I334 HydrophobicContact CG-CG2 4.49Å; M325-I334 PolarHBondContact N-O 3.05Å; M325-I334 VanDerWaalsContact N-O 3.14Å; A332-I334 HydrophobicContact CB-CD1 3.79Å; A332-I334 HydrophobicContact CB-CG1 3.97Å; A332-I334 PolarHBondContact O-N 2.77Å; I334-I336 HydrophobicContact CG2-CD1 4.48Å; I334-I383 HydrophobicContact CG2-CG2 3.91Å; I334-N384 WeakPolarHBondContact CA-O 3.36Å
335V95.8Very high91Very high0 Ų029.2 Ų29.20%018%0.181CC..EExtended strand (participates in β ladder)trans-128.8145.9167.8-55.80000110.3Y318 I322 L323 N384 V386 L403Y318-V335 HydrophobicContact CE2-CG1 3.81Å; I322-V335 HydrophobicContact CG2-CB 3.72Å; I322-V335 HydrophobicContact CG2-CG1 4.16Å; I322-V335 HydrophobicContact CG2-CG2 3.86Å; L323-V335 CarbonylContact O-C 3.49Å; L323-V335 VanDerWaalsContact O-CA 3.24Å; L323-V335 WeakPolarHBondContact O-CA 3.4Å; L323-V335 WeakPolarHBondContact O-CB 3.18Å; V335-N384 HydrophobicContact CG2-CB 3.8Å; V335-N384 PolarHBondContact N-O 3.04Å; V335-N384 PolarHBondContact O-N 2.8Å; V335-N384 PolarHBondContact O-ND2 3.34Å; V335-V386 HydrophobicContact CG1-CG2 3.56Å; V335-V386 HydrophobicContact CG2-CG2 4.37Å; V335-L403 HydrophobicContact CG2-CD1 4.09Å; V335-L403 HydrophobicContact CG2-CD2 3.96Å; V335-L403 HydrophobicContact CG2-CG 4.49Å
336I96.5Very high91.2Very high12 Ų1236.3 Ų36.36%0.06221%0.212CC..EExtended strand (participates in β ladder)trans-102.8139.3179.9-60.7-68.5000109.6I269 L323 M325 I334 L381 Q382 I383I269-I336 HydrophobicContact CG2-CB 4.5Å; I269-I336 HydrophobicContact CG2-CG1 4.06Å; I269-I336 HydrophobicContact CG2-CG2 4.1Å; L323-I336 HydrophobicContact CB-CB 4.43Å; L323-I336 PolarHBondContact N-O 2.98Å; L323-I336 PolarHBondContact O-N 2.88Å; M325-I336 HydrophobicContact CG-CB 4.33Å; M325-I336 HydrophobicContact CG-CD1 4.39Å; M325-I336 HydrophobicContact CG-CG1 3.4Å; M325-I336 HydrophobicContact SD-CG1 3.9Å; I334-I336 HydrophobicContact CG2-CD1 4.48Å; I336-L381 HydrophobicContact CG2-CB 4.44Å; I336-L381 HydrophobicContact CG2-CD2 3.97Å; I336-Q382 WeakPolarHBondContact CA-O 3.16Å; I336-I383 HydrophobicContact CD1-CG1 3.83Å
337S97.5Very high91.6Very high1 Ų137.2 Ų37.21%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-135.5176.617068.70000110.1G321 Q382 N384G321-S337 WeakPolarHBondContact O-CA 3.33Å; G321-S337 WeakPolarHBondContact O-CB 3.43Å; S337-Q382 PolarHBondContact N-O 3.31Å; S337-Q382 PolarHBondContact O-N 2.82Å; S337-Q382 PolarHBondContact OG-NE2 3.34Å; S337-N384 PolarHBondContact OG-ND2 2.98Å
338Q97.2Very high92Very high10 Ų1036.7 Ų36.75%0.04721%0.211CC..SBendtrans-74.8158.1160.3-64-175.796.300109.8F298 F341 L342 N343 N362F298-Q338 HydrophobicContact CE2-CG 4.47Å; Q338-F341 WeakPolarHBondContact O-CA 3.39Å; Q338-F341 PolarHBondContact O-N 3.23Å; Q338-F341 VanDerWaalsContact O-N 3.1Å; Q338-L342 HydrophobicContact CB-CB 3.9Å; Q338-L342 PolarHBondContact NE2-O 2.82Å; Q338-N343 PolarHBondContact NE2-ND2 3.49Å; Q338-N362 PolarHBondContact OE1-OD1 3.41Å
339P98.2Very high92.3Very high0 Ų037.4 Ų37.40%021%0.212CC..G310 helixtrans-55.5142.5-179.6-18.426.6000113.3F341 L342 F361 K380 F408P339-F341 PolarHBondContact O-N 3.33Å; P339-F341 VanDerWaalsContact O-N 3.08Å; P339-L342 WeakPolarHBondContact O-CB 3.29Å; P339-L342 PolarHBondContact O-N 3.16Å; P339-F361 HydrophobicContact CB-CB 3.79Å; P339-F361 HydrophobicContact CB-CD1 3.66Å; P339-F361 HydrophobicContact CB-CD2 4.5Å; P339-F361 HydrophobicContact CB-CE1 4.38Å; P339-F361 HydrophobicContact CB-CG 3.74Å; P339-F361 WeakPolarHBondContact CD-O 3.1Å; P339-F361 HydrophobicContact CG-CB 3.98Å; P339-F361 HydrophobicContact CG-CD1 4.2Å; P339-F361 HydrophobicContact CG-CG 4.35Å; P339-K380 HydrophobicContact CG-CB 3.77Å; P339-F408 HydrophobicContact CB-CB 3.86Å; P339-F408 HydrophobicContact CB-CD1 4.16Å; P339-F408 HydrophobicContact CB-CD2 3.9Å; P339-F408 HydrophobicContact CB-CE2 4.47Å; P339-F408 HydrophobicContact CB-CG 3.72Å; P339-F408 HydrophobicContact CG-CB 4.05Å; P339-F408 HydrophobicContact CG-CD2 3.94Å; P339-F408 HydrophobicContact CG-CG 4.12Å
340H98.3Very high92.9Very high4 Ų438.5 Ų38.52%0.01922%0.22CC..G310 helixtrans50.928.5-173.9-61.7-104.9000113.8F64 Q82 L342 M355 Y356 P357 F361 F408F64-H340 AromaticContact CE1-CE1 3.64Å; F64-H340 AromaticContact CE1-NE2 3.94Å; F64-H340 AromaticContact CZ-CE1 3.92Å; F64-H340 AromaticContact CZ-NE2 3.81Å; Q82-H340 PolarHBondContact OE1-CE1 3.46Å; Q82-H340 PolarHBondContact OE1-NE2 3.01Å; H340-L342 PolarHBondContact O-N 3.19Å; H340-M355 HydrophobicContact CB-SD 4.41Å; H340-Y356 PolarHBondContact ND1-N 3.45Å; H340-P357 HydrophobicContact CB-CB 4.29Å; H340-F361 HydrophobicContact CB-CD2 4.25Å; H340-F361 HydrophobicContact CB-CE2 4.14Å; H340-F361 AromaticContact CD2-CD2 3.84Å; H340-F361 AromaticContact CD2-CE1 3.76Å; H340-F361 AromaticContact CD2-CE2 3.28Å; H340-F361 WeakPolarHBondContact CD2-CE2 3.34Å; H340-F361 AromaticContact CD2-CZ 3.24Å; H340-F361 WeakPolarHBondContact CD2-CZ 3.42Å; H340-F361 AromaticContact CG-CE2 3.74Å; H340-F361 AromaticContact NE2-CE1 3.97Å; H340-F361 AromaticContact NE2-CE2 3.88Å; H340-F361 AromaticContact NE2-CZ 3.41Å; H340-F361 WeakPolarHBondContact NE2-CZ 3.36Å; H340-F408 AromaticContact NE2-CE1 3.52Å
341F98Very high94.2Very high0 Ų034.7 Ų34.70%020%0.196CC..G310 helixtrans56.836.5-175-58-74.1000113.3I322 Q338 P339 N343 A344 Q349 M355 N384 L403 P405I322-F341 HydrophobicContact CD1-CD1 3.98Å; I322-F341 HydrophobicContact CD1-CE1 4.08Å; Q338-F341 WeakPolarHBondContact O-CA 3.39Å; Q338-F341 PolarHBondContact O-N 3.23Å; Q338-F341 VanDerWaalsContact O-N 3.1Å; P339-F341 PolarHBondContact O-N 3.33Å; P339-F341 VanDerWaalsContact O-N 3.08Å; F341-N343 PolarHBondContact O-N 3.31Å; F341-A344 HydrophobicContact CB-CB 3.87Å; F341-A344 VanDerWaalsContact O-CB 3.23Å; F341-A344 WeakPolarHBondContact O-CB 3.44Å; F341-A344 PolarHBondContact O-N 2.98Å; F341-Q349 HydrophobicContact CB-CG 3.71Å; F341-Q349 PolarHBondContact O-NE2 3.48Å; F341-M355 HydrophobicContact CD2-CG 3.93Å; F341-M355 HydrophobicContact CD2-SD 3.73Å; F341-M355 HydrophobicContact CE2-CG 4.16Å; F341-M355 HydrophobicContact CE2-SD 3.8Å; F341-N384 VanDerWaalsContact CE1-OD1 3.3Å; F341-N384 WeakPolarHBondContact CE1-OD1 3.07Å; F341-N384 WeakPolarHBondContact CZ-OD1 3.47Å; F341-L403 HydrophobicContact CE1-CB 4.28Å; F341-L403 HydrophobicContact CZ-CB 4.18Å; F341-L403 WeakPolarHBondContact CZ-O 3.49Å; F341-P405 HydrophobicContact CE2-CB 4.32Å; F341-P405 HydrophobicContact CE2-CG 4.35Å; F341-P405 HydrophobicContact CZ-CB 4.39Å
342L96.9Very high95.7Very high9 Ų933.4 Ų33.45%0.04718%0.182CC..THydrogen-bonded Turntrans-53.4133.1173.117969.5000110.7Q338 P339 H340 A344 P357 F361 N362Q338-L342 HydrophobicContact CB-CB 3.9Å; Q338-L342 PolarHBondContact NE2-O 2.82Å; P339-L342 WeakPolarHBondContact O-CB 3.29Å; P339-L342 PolarHBondContact O-N 3.16Å; H340-L342 PolarHBondContact O-N 3.19Å; L342-A344 PolarHBondContact O-N 2.72Å; L342-A344 VanDerWaalsContact O-N 3.09Å; L342-P357 HydrophobicContact CB-CB 4.12Å; L342-P357 HydrophobicContact CD1-CB 4Å; L342-F361 HydrophobicContact CB-CB 4.43Å; L342-F361 HydrophobicContact CD2-CB 3.97Å; L342-N362 HydrophobicContact CD2-CB 4.31Å; L342-N362 WeakPolarHBondContact CD2-OD1 3.37Å
343N94.8Very high96.5Very high100 Ų10034.8 Ų34.854%0.53519%0.185SC..THydrogen-bonded Turntrans5911.9-176.3-58.2-49.7000115.6Q338 F341Q338-N343 PolarHBondContact NE2-ND2 3.49Å; F341-N343 PolarHBondContact O-N 3.31Å
344A96.6Very high96.8Very high11 Ų1134.9 Ų34.99%0.09119%0.19CC..SBendtrans-86.7167.517300000111.9D320 F341 L342 K346 Y348D320-A344 CarbonylContact O-C 3.43Å; D320-A344 WeakPolarHBondContact O-CA 3.29Å; D320-A344 WeakPolarHBondContact O-CB 3.14Å; F341-A344 HydrophobicContact CB-CB 3.87Å; F341-A344 VanDerWaalsContact O-CB 3.23Å; F341-A344 WeakPolarHBondContact O-CB 3.44Å; F341-A344 PolarHBondContact O-N 2.98Å; L342-A344 PolarHBondContact O-N 2.72Å; L342-A344 VanDerWaalsContact O-N 3.09Å; A344-K346 PolarHBondContact O-N 3.17Å; A344-Y348 HydrophobicContact CB-CD2 4.1Å
345N96.6Very high97Very high59 Ų5933.8 Ų33.832%0.31618%0.184SC..  trans-55133.5170.6-168.2-53.1000110D319 D320 S347 Y348D319-N345 HydrophobicContact CB-CB 3.85Å; D320-N345 PolarHBondContact O-N 2.87Å; N345-S347 PolarHBondContact O-N 2.87Å; N345-S347 WeakPolarHBondContact OD1-CB 3.43Å; N345-S347 PolarHBondContact OD1-N 3.45Å; N345-S347 PolarHBondContact OD1-OG 2.65Å; N345-S347 VanDerWaalsContact OD1-OG 3.06Å; N345-Y348 HydrophobicContact CB-CD2 3.91Å; N345-Y348 HydrophobicContact CB-CE2 3.92Å; N345-Y348 PolarHBondContact O-N 3.43Å
346K96.7Very high97.1Very high152 Ų15241.9 Ų41.966%0.66122%0.215SC*.Hα-helixtrans-56.3-24.4-179.6-69.3-174.7178.3-177.60113A344 Y348 Q349 N350A344-K346 PolarHBondContact O-N 3.17Å; K346-Y348 VanDerWaalsContact C-N 3.26Å; K346-Y348 PolarHBondContact O-N 2.79Å; K346-Q349 PolarHBondContact O-N 3.49Å; K346-N350 VanDerWaalsContact O-CB 3.29Å; K346-N350 WeakPolarHBondContact O-CB 3.44Å; K346-N350 PolarHBondContact O-N 2.84Å; K346-N350 PolarHBondContact O-ND2 3.31Å
347S96.7Very high97.1Very high54 Ų5443.3 Ų43.338%0.37823%0.225SC..Hα-helixtrans-57.5-37.6174.862.60000112.6N345 N350 A351N345-S347 PolarHBondContact O-N 2.87Å; N345-S347 WeakPolarHBondContact OD1-CB 3.43Å; N345-S347 PolarHBondContact OD1-N 3.45Å; N345-S347 PolarHBondContact OD1-OG 2.65Å; N345-S347 VanDerWaalsContact OD1-OG 3.06Å; S347-N350 PolarHBondContact O-N 2.97Å; S347-A351 VanDerWaalsContact O-CB 3.25Å; S347-A351 WeakPolarHBondContact O-CB 3.26Å; S347-A351 PolarHBondContact O-N 3.41Å
348Y97.1Very high97.1Very high28 Ų2846.2 Ų46.211%0.1124%0.243CC..Hα-helixtrans-69.4-41.2178.6-59-51.3000112.1D319 I322 A344 N345 K346 A351 L403D319-Y348 HydrophobicContact CB-CE2 4.02Å; D319-Y348 PolarHBondContact N-OH 3.39Å; I322-Y348 HydrophobicContact CD1-CD2 3.99Å; I322-Y348 HydrophobicContact CD1-CE2 4.12Å; I322-Y348 HydrophobicContact CD1-CG 4.4Å; I322-Y348 HydrophobicContact CG1-CD2 3.74Å; I322-Y348 HydrophobicContact CG1-CE2 3.35Å; I322-Y348 HydrophobicContact CG1-CG 4.46Å; A344-Y348 HydrophobicContact CB-CD2 4.1Å; N345-Y348 HydrophobicContact CB-CD2 3.91Å; N345-Y348 HydrophobicContact CB-CE2 3.92Å; N345-Y348 PolarHBondContact O-N 3.43Å; K346-Y348 VanDerWaalsContact C-N 3.26Å; K346-Y348 PolarHBondContact O-N 2.79Å; Y348-A351 PolarHBondContact O-N 2.85Å; Y348-L403 HydrophobicContact CD1-CD1 3.51Å; Y348-L403 HydrophobicContact CD1-CG 3.99Å; Y348-L403 HydrophobicContact CE1-CD1 3.47Å; Y348-L403 VanDerWaalsContact CE1-CD1 3.47Å; Y348-L403 HydrophobicContact CE1-CG 4.05Å; Y348-L403 HydrophobicContact CG-CD1 4.12Å
349Q96Very high96.8Very high37 Ų3751.7 Ų51.717%0.17327%0.273CS..Hα-helixtrans-64.1-46173.7-63.6167.223.600110.8F341 K346 A351 V352 P357F341-Q349 HydrophobicContact CB-CG 3.71Å; F341-Q349 PolarHBondContact O-NE2 3.48Å; K346-Q349 PolarHBondContact O-N 3.49Å; Q349-A351 PolarHBondContact O-N 2.78Å; Q349-V352 PolarHBondContact O-N 2.87Å; Q349-P357 HydrophobicContact CG-CG 4.38Å
350N96.9Very high96.6Very high111 Ų11158.9 Ų58.959%0.59431%0.306SS*.Hα-helixtrans-71.5-12.4-179.3-67.9-17000113.5K77 K346 S347K77-N350 WeakPolarHBondContact CE-O 3.42Å; K77-N350 PolarHBondContact NZ-O 2.83Å; K346-N350 VanDerWaalsContact O-CB 3.29Å; K346-N350 WeakPolarHBondContact O-CB 3.44Å; K346-N350 PolarHBondContact O-N 2.84Å; K346-N350 PolarHBondContact O-ND2 3.31Å; S347-N350 PolarHBondContact O-N 2.97Å
351A97.1Very high96.6Very high31 Ų3160.1 Ų60.126%0.25631%0.312SS..THydrogen-bonded Turntrans-85.9-11.3177.600000113.4K77 P78 S347 Y348 Q349 T402K77-A351 WeakPolarHBondContact CE-O 3.37Å; K77-A351 VanDerWaalsContact CG-O 3.29Å; K77-A351 WeakPolarHBondContact CG-O 3.46Å; P78-A351 WeakPolarHBondContact CD-O 3.4Å; S347-A351 VanDerWaalsContact O-CB 3.25Å; S347-A351 WeakPolarHBondContact O-CB 3.26Å; S347-A351 PolarHBondContact O-N 3.41Å; Y348-A351 PolarHBondContact O-N 2.85Å; Q349-A351 PolarHBondContact O-N 2.78Å; A351-T402 HydrophobicContact CB-CG2 4.27Å
352V98.1Very high96.4Very high2 Ų260.9 Ų60.91%0.01232%0.316CS..SBendtrans-134.6126.3178.1-174.30000110.8K77 P78 V80 Q349 M355 T402 P405K77-V352 VanDerWaalsContact CE-CA 3.46Å; P78-V352 HydrophobicContact CG-CB 4.41Å; P78-V352 HydrophobicContact CG-CG1 4.23Å; P78-V352 HydrophobicContact CG-CG2 4.03Å; V80-V352 HydrophobicContact CG1-CG1 4.05Å; V80-V352 HydrophobicContact CG2-CG1 3.77Å; Q349-V352 PolarHBondContact O-N 2.87Å; V352-M355 HydrophobicContact CB-CG 3.97Å; V352-M355 HydrophobicContact CG1-CE 4.3Å; V352-M355 HydrophobicContact CG1-CG 4.29Å; V352-T402 HydrophobicContact CG2-CG2 3.76Å; V352-P405 HydrophobicContact CG1-CG 4.01Å
353D98Very high96.4Very high55 Ų5561.1 Ų61.129%0.29432%0.318SS..BIsolated β-bridgetrans-79.4133.4175.8-72.3-42.8000109.2K77 P78 H79 V80K77-D353 VanDerWaalsContact CD-OD2 3.28Å; K77-D353 WeakPolarHBondContact CD-OD2 3.45Å; K77-D353 VanDerWaalsContact CE-CG 3.46Å; K77-D353 VanDerWaalsContact CE-N 3.27Å; K77-D353 VanDerWaalsContact CE-OD1 3.27Å; K77-D353 WeakPolarHBondContact CE-OD1 3.41Å; K77-D353 IonicContact NZ-OD1 3.75Å; K77-D353 PolarHBondContact NZ-OD1 2.8Å; K77-D353 IonicContact NZ-OD2 3.97Å; P78-D353 PolarHBondContact O-N 2.99Å; H79-D353 HydrophobicContact CB-CB 4.39Å; H79-D353 VanDerWaalsContact CD2-CB 3.41Å; H79-D353 WeakPolarHBondContact CD2-CB 3.43Å; H79-D353 IonicContact CD2-OD2 3.29Å; H79-D353 IonicContact CE1-OD2 2.61Å; H79-D353 IonicContact NE2-OD2 3.38Å; H79-D353 PolarHBondContact NE2-OD2 2.98Å; V80-D353 WeakPolarHBondContact CG2-O 3.49Å; V80-D353 PolarHBondContact N-O 3.33Å
354G97.5Very high96.5Very high17 Ų1757.3 Ų57.318%0.17530%0.297CS..THydrogen-bonded Turntrans108.31.7-173.200000115Y356G354-Y356 WeakPolarHBondContact O-CD2 3.48Å
355M97.8Very high96.5Very high17 Ų1757.2 Ų57.28%0.08430%0.295CS..  trans-89.9118.1176-61-62.4100.800111.5F64 V80 H340 F341 V352 P405F64-M355 HydrophobicContact CD1-CE 3.7Å; F64-M355 HydrophobicContact CE1-CE 3.46Å; F64-M355 VanDerWaalsContact CE1-CE 3.46Å; F64-M355 HydrophobicContact CG-CE 4.44Å; F64-M355 HydrophobicContact CZ-CE 4Å; V80-M355 HydrophobicContact CG2-CE 3.34Å; H340-M355 HydrophobicContact CB-SD 4.41Å; F341-M355 HydrophobicContact CD2-CG 3.93Å; F341-M355 HydrophobicContact CD2-SD 3.73Å; F341-M355 HydrophobicContact CE2-CG 4.16Å; F341-M355 HydrophobicContact CE2-SD 3.8Å; V352-M355 HydrophobicContact CB-CG 3.97Å; V352-M355 HydrophobicContact CG1-CE 4.3Å; V352-M355 HydrophobicContact CG1-CG 4.29Å; M355-P405 HydrophobicContact CE-CB 4.45Å; M355-P405 HydrophobicContact CE-CG 3.74Å; M355-P405 HydrophobicContact SD-CB 4.41Å; M355-P405 HydrophobicContact SD-CG 3.99Å
356Y97.2Very high96.5Very high169 Ų16955.5 Ų55.566%0.66328%0.284SS*.  trans-134.173.7-178-56.7-73000110.6H340 G354 T358 F361H340-Y356 PolarHBondContact ND1-N 3.45Å; G354-Y356 WeakPolarHBondContact O-CD2 3.48Å; Y356-T358 PolarHBondContact O-N 3.45Å; Y356-F361 WeakPolarHBondContact O-CE2 3.23Å
357P96.8Very high96.6Very high42 Ų4248.2 Ų48.227%0.27325%0.253SS..  trans-65.3130.8-17627.1-34.6000112H340 L342 Q349H340-P357 HydrophobicContact CB-CB 4.29Å; L342-P357 HydrophobicContact CB-CB 4.12Å; L342-P357 HydrophobicContact CD1-CB 4Å; Q349-P357 HydrophobicContact CG-CG 4.38Å
358T96.1Very high96.6Very high63 Ų6345.9 Ų45.939%0.38724%0.235SC..  trans-129.5161.4173.565.80000109.9Y356 E360 F361Y356-T358 PolarHBondContact O-N 3.45Å; T358-E360 PolarHBondContact O-N 3.41Å; T358-E360 VanDerWaalsContact O-N 3.14Å; T358-F361 WeakPolarHBondContact O-CB 3.37Å; T358-F361 PolarHBondContact O-N 2.98Å
359D92.5Very high96.5Very high124 Ų12445.9 Ų45.966%0.66324%0.239SC*.G310 helixtrans-62.7-21.3-179.5-68.9-28.3000113.5F361 N362 M364D359-F361 PolarHBondContact O-N 3.49Å; D359-N362 WeakPolarHBondContact O-CB 3.42Å; D359-N362 PolarHBondContact O-N 3.38Å; D359-N362 VanDerWaalsContact O-N 3.13Å; D359-N362 PolarHBondContact O-ND2 3.21Å; D359-M364 WeakPolarHBondContact O-CE 3.26Å
360E94Very high96.4Very high151 Ų15147.1 Ų47.171%0.70625%0.247SC*.G310 helixtrans-63.4-22175.2-63.2-176.7168.400112.4T358 N362 K380T358-E360 PolarHBondContact O-N 3.41Å; T358-E360 VanDerWaalsContact O-N 3.14Å; E360-N362 PolarHBondContact O-N 2.92Å; E360-K380 WeakPolarHBondContact O-CE 3.31Å; E360-K380 PolarHBondContact O-NZ 3.44Å
361F96.6Very high96.3Very high30 Ų3042.7 Ų42.713%0.13222%0.224CC..G310 helixtrans-79.3-2.2176-66.3-49.6000114.3P339 H340 L342 Y356 T358 D359 F408P339-F361 HydrophobicContact CB-CB 3.79Å; P339-F361 HydrophobicContact CB-CD1 3.66Å; P339-F361 HydrophobicContact CB-CD2 4.5Å; P339-F361 HydrophobicContact CB-CE1 4.38Å; P339-F361 HydrophobicContact CB-CG 3.74Å; P339-F361 WeakPolarHBondContact CD-O 3.1Å; P339-F361 HydrophobicContact CG-CB 3.98Å; P339-F361 HydrophobicContact CG-CD1 4.2Å; P339-F361 HydrophobicContact CG-CG 4.35Å; H340-F361 HydrophobicContact CB-CD2 4.25Å; H340-F361 HydrophobicContact CB-CE2 4.14Å; H340-F361 AromaticContact CD2-CD2 3.84Å; H340-F361 AromaticContact CD2-CE1 3.76Å; H340-F361 AromaticContact CD2-CE2 3.28Å; H340-F361 WeakPolarHBondContact CD2-CE2 3.34Å; H340-F361 AromaticContact CD2-CZ 3.24Å; H340-F361 WeakPolarHBondContact CD2-CZ 3.42Å; H340-F361 AromaticContact CG-CE2 3.74Å; H340-F361 AromaticContact NE2-CE1 3.97Å; H340-F361 AromaticContact NE2-CE2 3.88Å; H340-F361 AromaticContact NE2-CZ 3.41Å; H340-F361 WeakPolarHBondContact NE2-CZ 3.36Å; L342-F361 HydrophobicContact CB-CB 4.43Å; L342-F361 HydrophobicContact CD2-CB 3.97Å; Y356-F361 WeakPolarHBondContact O-CE2 3.23Å; T358-F361 WeakPolarHBondContact O-CB 3.37Å; T358-F361 PolarHBondContact O-N 2.98Å; D359-F361 PolarHBondContact O-N 3.49Å; F361-F408 HydrophobicContact CD1-CE2 4.45Å; F361-F408 HydrophobicContact CD1-CZ 4.44Å; F361-F408 HydrophobicContact CE1-CE1 4.32Å; F361-F408 HydrophobicContact CE1-CE2 4.23Å; F361-F408 AromaticContact CE1-CZ 3.81Å; F361-F408 HydrophobicContact CE1-CZ 3.81Å
362N95.3Very high96.1Very high17 Ų1741.2 Ų41.29%0.09121%0.212CC..SBendtrans-64.5149.5170.8-77.3-65.5000111.3Q338 L342 D359 E360 M364 K380Q338-N362 PolarHBondContact OE1-OD1 3.41Å; L342-N362 HydrophobicContact CD2-CB 4.31Å; L342-N362 WeakPolarHBondContact CD2-OD1 3.37Å; D359-N362 WeakPolarHBondContact O-CB 3.42Å; D359-N362 PolarHBondContact O-N 3.38Å; D359-N362 VanDerWaalsContact O-N 3.13Å; D359-N362 PolarHBondContact O-ND2 3.21Å; E360-N362 PolarHBondContact O-N 2.92Å; N362-M364 HydrophobicContact CB-CE 3.98Å; N362-M364 HydrophobicContact CB-CG 4.33Å; N362-K380 PolarHBondContact O-NZ 2.9Å
363T96.5Very high95.9Very high13 Ų1342.6 Ų42.68%0.0822%0.222CC..  trans-69.4132.2159-69.10000108.7F275 P293 E378 K380F275-T363 HydrophobicContact CE1-CG2 3.64Å; F275-T363 HydrophobicContact CZ-CG2 4.01Å; P293-T363 WeakPolarHBondContact CD-O 3.35Å; T363-E378 CarbonylContact C-O 3.47Å; T363-E378 WeakPolarHBondContact CA-O 3.16Å; T363-E378 WeakPolarHBondContact CG2-O 3.48Å; T363-K380 PolarHBondContact OG1-N 3.03Å; T363-K380 PolarHBondContact OG1-O 2.86Å
364M96.4Very high95.7Very high20 Ų2041.2 Ų41.210%0.09921%0.214CC..EExtended strand (participates in β ladder)trans-134.4134.7-177.1-57.9-177.2-168.100110.5I292 D359 N362 Y366 A377 E378I292-M364 HydrophobicContact CG2-CG 4.31Å; D359-M364 WeakPolarHBondContact O-CE 3.26Å; N362-M364 HydrophobicContact CB-CE 3.98Å; N362-M364 HydrophobicContact CB-CG 4.33Å; M364-Y366 HydrophobicContact CB-CE2 3.84Å; M364-Y366 PolarHBondContact SD-OH 3.48Å; M364-A377 CarbonylContact O-C 3.56Å; M364-A377 WeakPolarHBondContact O-CA 3.39Å; M364-E378 PolarHBondContact N-O 3.01Å; M364-E378 PolarHBondContact O-N 3.17Å
365I97.1Very high95.7Very high10 Ų1040.4 Ų40.45%0.05121%0.206CC..EExtended strand (participates in β ladder)trans-128.9126.9179.8-48.4176.5000108.3F252 I264 F275 K290 F291 I367 I374 A377F252-I365 HydrophobicContact CE2-CG2 4.29Å; I264-I365 HydrophobicContact CD1-CD1 3.29Å; F275-I365 HydrophobicContact CD1-CD1 3.95Å; F275-I365 HydrophobicContact CE1-CD1 3.88Å; F275-I365 HydrophobicContact CE1-CG1 4.45Å; F275-I365 HydrophobicContact CG-CD1 4.39Å; F275-I365 HydrophobicContact CZ-CD1 4.25Å; K290-I365 CarbonylContact C-O 3.57Å; K290-I365 WeakPolarHBondContact CA-O 3.31Å; F291-I365 HydrophobicContact CB-CB 4.45Å; F291-I365 PolarHBondContact N-O 2.91Å; F291-I365 PolarHBondContact O-N 3.18Å; I365-I367 HydrophobicContact CG2-CD1 3.93Å; I365-I367 HydrophobicContact CG2-CG1 3.67Å; I365-I374 HydrophobicContact CG2-CG1 4.36Å; I365-I374 HydrophobicContact CG2-CG2 4.38Å; I365-A377 HydrophobicContact CG2-CB 4.29Å
366Y97.3Very high95.6Very high22 Ų2243.7 Ų43.79%0.08622%0.217CC..EExtended strand (participates in β ladder)trans-113110.3-178.7-59.8-94.9000108.7M281 I283 V288 L289 K290 M364 I375 R376M281-Y366 HydrophobicContact CB-CD1 4.31Å; M281-Y366 HydrophobicContact CB-CE1 4.28Å; M281-Y366 HydrophobicContact CG-CE1 4.1Å; I283-Y366 HydrophobicContact CD1-CD1 4.05Å; I283-Y366 HydrophobicContact CD1-CG 3.89Å; V288-Y366 HydrophobicContact CG2-CD1 4.01Å; L289-Y366 WeakPolarHBondContact O-CA 3.19Å; K290-Y366 HydrophobicContact CB-CD1 4Å; K290-Y366 HydrophobicContact CB-CE1 3.94Å; K290-Y366 HydrophobicContact CD-CE1 3.74Å; K290-Y366 HydrophobicContact CG-CD1 4.15Å; K290-Y366 HydrophobicContact CG-CE1 3.73Å; M364-Y366 HydrophobicContact CB-CE2 3.84Å; M364-Y366 PolarHBondContact SD-OH 3.48Å; Y366-I375 PolarHBondContact O-N 3.46Å; Y366-R376 WeakPolarHBondContact CA-O 3.39Å; Y366-R376 WeakPolarHBondContact CB-O 3.23Å; Y366-R376 HydrophobicContact CD2-CB 3.75Å; Y366-R376 HydrophobicContact CD2-CG 3.85Å; Y366-R376 WeakPolarHBondContact CD2-O 3.18Å; Y366-R376 HydrophobicContact CE2-CG 4.23Å; Y366-R376 HydrophobicContact CG-CB 4.21Å; Y366-R376 PolarHBondContact N-O 3.06Å; Y366-R376 PolarHBondContact O-N 2.95Å
367I97.3Very high95.6Very high0 Ų036.5 Ų36.50%019%0.192CC..EExtended strand (participates in β ladder)trans-116.1135.2-170.5-50.7172.8000109.9F252 I256 L262 V288 L289 F291 I365 G372 S373F252-I367 HydrophobicContact CD2-CD1 3.58Å; F252-I367 HydrophobicContact CD2-CG1 4.31Å; F252-I367 HydrophobicContact CE2-CD1 3.74Å; F252-I367 HydrophobicContact CG-CD1 4.1Å; F252-I367 HydrophobicContact CZ-CD1 4.38Å; I256-I367 HydrophobicContact CD1-CB 4.45Å; I256-I367 HydrophobicContact CD1-CD1 4.25Å; I256-I367 HydrophobicContact CD1-CG2 3.58Å; L262-I367 HydrophobicContact CD1-CD1 3.37Å; V288-I367 CarbonylContact C-O 3.48Å; V288-I367 WeakPolarHBondContact CA-O 3.19Å; L289-I367 PolarHBondContact N-O 3.22Å; L289-I367 PolarHBondContact O-N 3.08Å; F291-I367 HydrophobicContact CD2-CD1 3.86Å; F291-I367 HydrophobicContact CD2-CG1 4.36Å; F291-I367 HydrophobicContact CE2-CD1 4.15Å; I365-I367 HydrophobicContact CG2-CD1 3.93Å; I365-I367 HydrophobicContact CG2-CG1 3.67Å; I367-G372 VanDerWaalsContact CG2-C 3.49Å; I367-S373 WeakPolarHBondContact CA-O 3.4Å
368E96.3Very high95.6Very high4 Ų435.7 Ų35.72%0.01919%0.185CC..  trans-75.9119.7167.7-163.1-69.6131.600108.8L286 N370 T371 G372 S373 I375 F423 L427L286-E368 HydrophobicContact CD1-CG 4.29Å; L286-E368 HydrophobicContact CD2-CG 4.29Å; L286-E368 HydrophobicContact CG-CG 4.46Å; E368-N370 VanDerWaalsContact C-N 3.34Å; E368-N370 VanDerWaalsContact CD-N 3.32Å; E368-N370 PolarHBondContact O-N 2.93Å; E368-N370 PolarHBondContact OE1-N 3.44Å; E368-N370 VanDerWaalsContact OE1-N 3.16Å; E368-N370 PolarHBondContact OE1-ND2 3.32Å; E368-N370 WeakPolarHBondContact OE2-CA 2.94Å; E368-N370 WeakPolarHBondContact OE2-CB 3.4Å; E368-N370 PolarHBondContact OE2-N 2.81Å; E368-T371 WeakPolarHBondContact OE2-CG2 3.42Å; E368-T371 PolarHBondContact OE2-N 3.46Å; E368-T371 PolarHBondContact OE2-OG1 2.88Å; E368-G372 WeakPolarHBondContact O-CA 3.36Å; E368-G372 PolarHBondContact O-N 3.41Å; E368-S373 PolarHBondContact N-O 3.44Å; E368-I375 HydrophobicContact CB-CD1 4.03Å; E368-I375 HydrophobicContact CB-CG1 4.01Å; E368-F423 HydrophobicContact CG-CD1 4.25Å; E368-L427 VanDerWaalsContact CD-CD1 3.49Å; E368-L427 HydrophobicContact CG-CD1 3.93Å; E368-L427 WeakPolarHBondContact OE2-CD1 3.3Å
369P95.7Very high95.6Very high29 Ų2935.5 Ų35.519%0.18818%0.179CC..THydrogen-bonded Turntrans-66.8-29.8-166.823.8-34.6000114.3F255 I256 L289F255-P369 CarbonylContact C-O 3.57Å; F255-P369 WeakPolarHBondContact CA-O 3.23Å; F255-P369 PolarHBondContact N-O 3.45Å; I256-P369 PolarHBondContact N-O 3.04Å; L289-P369 HydrophobicContact CD1-CB 3.85Å; L289-P369 HydrophobicContact CG-CB 4.04Å; L289-P369 HydrophobicContact CG-CG 4.36Å
370N94.5Very high95.8Very high62 Ų6230.2 Ų30.233%0.33215%0.15SC..THydrogen-bonded Turntrans-76.6-41-175.8-62.5-69.4000111.8I34 P254 F255 E368I34-N370 HydrophobicContact CD1-CB 4.14Å; I34-N370 WeakPolarHBondContact CG2-O 3.05Å; P254-N370 VanDerWaalsContact CA-O 3.29Å; P254-N370 WeakPolarHBondContact CA-O 3.4Å; P254-N370 WeakPolarHBondContact CB-O 3.37Å; F255-N370 PolarHBondContact N-O 3.32Å; E368-N370 VanDerWaalsContact C-N 3.34Å; E368-N370 VanDerWaalsContact CD-N 3.32Å; E368-N370 PolarHBondContact O-N 2.93Å; E368-N370 PolarHBondContact OE1-N 3.44Å; E368-N370 VanDerWaalsContact OE1-N 3.16Å; E368-N370 PolarHBondContact OE1-ND2 3.32Å; E368-N370 WeakPolarHBondContact OE2-CA 2.94Å; E368-N370 WeakPolarHBondContact OE2-CB 3.4Å; E368-N370 PolarHBondContact OE2-N 2.81Å
371T93.6Very high96Very high18 Ų1823.8 Ų23.811%0.1112%0.121CC..THydrogen-bonded Turntrans-96-19.5-176.368.60000114I34 E368 S373 F423 L427I34-T371 HydrophobicContact CG2-CG2 4.49Å; E368-T371 WeakPolarHBondContact OE2-CG2 3.42Å; E368-T371 PolarHBondContact OE2-N 3.46Å; E368-T371 PolarHBondContact OE2-OG1 2.88Å; T371-S373 WeakPolarHBondContact CB-OG 3.31Å; T371-S373 PolarHBondContact O-N 3.05Å; T371-S373 VanDerWaalsContact OG1-CB 3.23Å; T371-S373 WeakPolarHBondContact OG1-CB 3.27Å; T371-S373 PolarHBondContact OG1-N 2.89Å; T371-S373 VanDerWaalsContact OG1-N 3.15Å; T371-S373 PolarHBondContact OG1-OG 3.07Å; T371-F423 HydrophobicContact CG2-CE1 4.13Å; T371-L427 HydrophobicContact CG2-CD1 3.81Å; T371-L427 HydrophobicContact CG2-CD2 4.01Å
372G94Very high96.1Very high1 Ų122.4 Ų22.41%0.0111%0.114CC..  trans74.112.2-171.200000113.5F252 H253 I367 E368F252-G372 PolarHBondContact N-O 2.99Å; H253-G372 VanDerWaalsContact O-CA 3.3Å; H253-G372 WeakPolarHBondContact O-CA 3.49Å; I367-G372 VanDerWaalsContact CG2-C 3.49Å; E368-G372 WeakPolarHBondContact O-CA 3.36Å; E368-G372 PolarHBondContact O-N 3.41Å
373S93.4Very high96.2Very high31 Ų3122.5 Ų22.522%0.21712%0.115CC..  trans-79.7136.1-177.1-55.60000111.8I367 E368 T371 I375I367-S373 WeakPolarHBondContact CA-O 3.4Å; E368-S373 PolarHBondContact N-O 3.44Å; T371-S373 WeakPolarHBondContact CB-OG 3.31Å; T371-S373 PolarHBondContact O-N 3.05Å; T371-S373 VanDerWaalsContact OG1-CB 3.23Å; T371-S373 WeakPolarHBondContact OG1-CB 3.27Å; T371-S373 PolarHBondContact OG1-N 2.89Å; T371-S373 VanDerWaalsContact OG1-N 3.15Å; T371-S373 PolarHBondContact OG1-OG 3.07Å; S373-I375 PolarHBondContact O-N 3.46Å
374I94.9Very high96.2Very high25 Ų2521.9 Ų21.913%0.12811%0.111CC..EExtended strand (participates in β ladder)trans-77.1116.1175.9-59.5172.9000108.7G249 F252 I365 A377 V413G249-I374 WeakPolarHBondContact O-CD1 3.46Å; F252-I374 HydrophobicContact CD2-CD1 4.16Å; F252-I374 HydrophobicContact CD2-CG1 4.02Å; F252-I374 HydrophobicContact CE2-CD1 3.8Å; F252-I374 HydrophobicContact CE2-CG1 4.02Å; I365-I374 HydrophobicContact CG2-CG1 4.36Å; I365-I374 HydrophobicContact CG2-CG2 4.38Å; I374-A377 HydrophobicContact CG2-CB 3.68Å; I374-V413 HydrophobicContact CG2-CG1 4.44Å
375I96.1Very high96.2Very high1 Ų121.1 Ų21.11%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-86.5-39.9178-56-55.1000110.6I283 L286 V288 Y366 E368 S373 Q414 L415 I420 F423I283-I375 HydrophobicContact CB-CG2 4.23Å; I283-I375 HydrophobicContact CD1-CG2 4Å; I283-I375 HydrophobicContact CG2-CG2 4.19Å; L286-I375 HydrophobicContact CD2-CD1 3.66Å; L286-I375 HydrophobicContact CD2-CG1 3.86Å; L286-I375 HydrophobicContact CD2-CG2 4.36Å; V288-I375 HydrophobicContact CG1-CB 4Å; V288-I375 HydrophobicContact CG1-CG1 3.63Å; V288-I375 HydrophobicContact CG1-CG2 4.29Å; Y366-I375 PolarHBondContact O-N 3.46Å; E368-I375 HydrophobicContact CB-CD1 4.03Å; E368-I375 HydrophobicContact CB-CG1 4.01Å; S373-I375 PolarHBondContact O-N 3.46Å; I375-Q414 WeakPolarHBondContact O-CA 3.35Å; I375-L415 HydrophobicContact CD1-CD1 3.59Å; I375-L415 PolarHBondContact O-N 2.7Å; I375-I420 HydrophobicContact CG2-CD1 4.18Å; I375-I420 HydrophobicContact CG2-CG1 4.18Å; I375-F423 HydrophobicContact CD1-CD1 4.35Å; I375-F423 HydrophobicContact CD1-CE1 4.36Å
376R96.6Very high96.1Very high86 Ų8621 Ų2133%0.32511%0.107SC..EExtended strand (participates in β ladder)trans-147.6142.9172.8176.9178.1176.4165.3-5.2108.8I283 Y366 E378 V413 Q414I283-R376 HydrophobicContact CD1-CB 3.83Å; Y366-R376 WeakPolarHBondContact CA-O 3.39Å; Y366-R376 WeakPolarHBondContact CB-O 3.23Å; Y366-R376 HydrophobicContact CD2-CB 3.75Å; Y366-R376 HydrophobicContact CD2-CG 3.85Å; Y366-R376 WeakPolarHBondContact CD2-O 3.18Å; Y366-R376 HydrophobicContact CE2-CG 4.23Å; Y366-R376 HydrophobicContact CG-CB 4.21Å; Y366-R376 PolarHBondContact N-O 3.06Å; Y366-R376 PolarHBondContact O-N 2.95Å; R376-E378 IonicContact CZ-OE1 2.75Å; R376-E378 IonicContact NE-OE1 2.92Å; R376-E378 PolarHBondContact NE-OE1 3.35Å; R376-E378 IonicContact NH2-OE1 3.03Å; R376-E378 PolarHBondContact NH2-OE1 2.92Å; R376-V413 CarbonylContact C-O 3.57Å; R376-V413 VanDerWaalsContact CA-O 3.24Å; R376-V413 WeakPolarHBondContact CA-O 3.32Å; R376-Q414 HydrophobicContact CB-CG 4.38Å; R376-Q414 HydrophobicContact CG-CB 4.42Å
377A97.1Very high96Very high17 Ų1720 Ų2014%0.1410%0.103CC..EExtended strand (participates in β ladder)trans-144.7149.2167.500000110.6M364 I365 I374 S412 V413M364-A377 CarbonylContact O-C 3.56Å; M364-A377 WeakPolarHBondContact O-CA 3.39Å; I365-A377 HydrophobicContact CG2-CB 4.29Å; I374-A377 HydrophobicContact CG2-CB 3.68Å; A377-S412 VanDerWaalsContact O-CA 3.24Å; A377-S412 WeakPolarHBondContact O-CA 3.26Å; A377-V413 HydrophobicContact CB-CG1 4Å; A377-V413 PolarHBondContact N-O 2.89Å; A377-V413 PolarHBondContact O-N 2.85Å
378E97Very high95.8Very high26 Ų2624.4 Ų24.412%0.12112%0.122CC..EExtended strand (participates in β ladder)trans-137.4105.5175.2-72.1169.6-152.800107.8T363 M364 R376 K380 E411T363-E378 CarbonylContact C-O 3.47Å; T363-E378 WeakPolarHBondContact CA-O 3.16Å; T363-E378 WeakPolarHBondContact CG2-O 3.48Å; M364-E378 PolarHBondContact N-O 3.01Å; M364-E378 PolarHBondContact O-N 3.17Å; R376-E378 IonicContact CZ-OE1 2.75Å; R376-E378 IonicContact NE-OE1 2.92Å; R376-E378 PolarHBondContact NE-OE1 3.35Å; R376-E378 IonicContact NH2-OE1 3.03Å; R376-E378 PolarHBondContact NH2-OE1 2.92Å; E378-K380 WeakPolarHBondContact OE2-CE 3.42Å; E378-K380 IonicContact OE2-NZ 2.63Å; E378-K380 PolarHBondContact OE2-NZ 2.91Å; E378-E411 CarbonylContact C-O 3.44Å; E378-E411 WeakPolarHBondContact CA-O 3.45Å
379K96.2Very high95.7Very high59 Ų5927.4 Ų27.426%0.25714%0.138SC..EExtended strand (participates in β ladder)trans-94.5118.8175.2177.6-174.9173.9-172.20108.9D268 N410 E411D268-K379 IonicContact OD1-NZ 3.46Å; D268-K379 PolarHBondContact OD1-NZ 3.35Å; D268-K379 VanDerWaalsContact OD2-CE 3.27Å; D268-K379 WeakPolarHBondContact OD2-CE 3.36Å; D268-K379 IonicContact OD2-NZ 3.53Å; D268-K379 PolarHBondContact OD2-NZ 2.83Å; K379-N410 WeakPolarHBondContact O-CA 3.42Å; K379-E411 HydrophobicContact CB-CB 4.28Å; K379-E411 PolarHBondContact N-O 3.1Å; K379-E411 PolarHBondContact O-N 3.49Å
380K97Very high95.5Very high12 Ų1226.9 Ų26.95%0.05213%0.134CC..EExtended strand (participates in β ladder)trans-124.1124.3-175.5-55.7-170.1-172.6101.90112.1P339 E360 N362 T363 E378 I409 N410P339-K380 HydrophobicContact CG-CB 3.77Å; E360-K380 WeakPolarHBondContact O-CE 3.31Å; E360-K380 PolarHBondContact O-NZ 3.44Å; N362-K380 PolarHBondContact O-NZ 2.9Å; T363-K380 PolarHBondContact OG1-N 3.03Å; T363-K380 PolarHBondContact OG1-O 2.86Å; E378-K380 WeakPolarHBondContact OE2-CE 3.42Å; E378-K380 IonicContact OE2-NZ 2.63Å; E378-K380 PolarHBondContact OE2-NZ 2.91Å; K380-I409 VanDerWaalsContact CA-O 3.26Å; K380-I409 WeakPolarHBondContact CA-O 3.18Å; K380-N410 WeakPolarHBondContact CE-OD1 3.26Å; K380-N410 HydrophobicContact CG-CB 4.29Å
381L96.7Very high95.2Very high17 Ų1728.7 Ų28.79%0.08915%0.149CC..EExtended strand (participates in β ladder)trans-141.8146.8179.3-66.3173.2000109.8D268 I269 I336 F408 I409D268-L381 VanDerWaalsContact OD2-CD1 3.3Å; D268-L381 WeakPolarHBondContact OD2-CD1 3.45Å; I269-L381 HydrophobicContact CG2-CD1 3.82Å; I336-L381 HydrophobicContact CG2-CB 4.44Å; I336-L381 HydrophobicContact CG2-CD2 3.97Å; L381-F408 CarbonylContact O-C 3.54Å; L381-F408 VanDerWaalsContact O-CA 3.28Å; L381-F408 WeakPolarHBondContact O-CA 3.35Å; L381-F408 WeakPolarHBondContact O-CB 3.38Å; L381-I409 PolarHBondContact N-O 3.11Å; L381-I409 PolarHBondContact O-N 2.85Å
382Q98.2Very high94.9Very high0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-116.6133.7176.3179.4170-6700110.7F64 I336 S337 N384 M407 F408F64-Q382 HydrophobicContact CE2-CG 4.31Å; F64-Q382 VanDerWaalsContact CE2-OE1 3.32Å; I336-Q382 WeakPolarHBondContact CA-O 3.16Å; S337-Q382 PolarHBondContact N-O 3.31Å; S337-Q382 PolarHBondContact O-N 2.82Å; S337-Q382 PolarHBondContact OG-NE2 3.34Å; Q382-N384 WeakPolarHBondContact CG-OD1 3.34Å; Q382-N384 PolarHBondContact NE2-OD1 3.47Å; Q382-M407 WeakPolarHBondContact CA-O 3.11Å; Q382-M407 WeakPolarHBondContact CG-O 3.49Å; Q382-F408 HydrophobicContact CB-CB 3.85Å; Q382-F408 HydrophobicContact CG-CB 4.18Å
383I97.3Very high94.8Very high20 Ų2033 Ų3310%0.10317%0.171CC..EExtended strand (participates in β ladder)trans-95.5125.1173.3-61.9175.2000107.7L197 I334 I336 I406 M407 I409L197-I383 HydrophobicContact CD2-CG2 4.36Å; I334-I383 HydrophobicContact CG2-CG2 3.91Å; I336-I383 HydrophobicContact CD1-CG1 3.83Å; I383-I406 PolarHBondContact O-N 3.48Å; I383-M407 HydrophobicContact CD1-CE 3.67Å; I383-M407 PolarHBondContact N-O 2.87Å; I383-M407 PolarHBondContact O-N 3.23Å; I383-I409 HydrophobicContact CD1-CD1 4.18Å
384N97.9Very high94.7Very high0 Ų039.4 Ų39.40%020%0.195CC..EExtended strand (participates in β ladder)trans-124.1150.8174.9-42.9-85.8000109.1I334 V335 S337 F341 Q382 L404 P405I334-N384 WeakPolarHBondContact CA-O 3.36Å; V335-N384 HydrophobicContact CG2-CB 3.8Å; V335-N384 PolarHBondContact N-O 3.04Å; V335-N384 PolarHBondContact O-N 2.8Å; V335-N384 PolarHBondContact O-ND2 3.34Å; S337-N384 PolarHBondContact OG-ND2 2.98Å; F341-N384 VanDerWaalsContact CE1-OD1 3.3Å; F341-N384 WeakPolarHBondContact CE1-OD1 3.07Å; F341-N384 WeakPolarHBondContact CZ-OD1 3.47Å; Q382-N384 WeakPolarHBondContact CG-OD1 3.34Å; Q382-N384 PolarHBondContact NE2-OD1 3.47Å; N384-L404 CarbonylContact C-O 3.47Å; N384-L404 VanDerWaalsContact CA-O 3.28Å; N384-L404 WeakPolarHBondContact CA-O 3.2Å; N384-P405 WeakPolarHBondContact OD1-CA 3.35Å
385I96.2Very high94.6Very high3 Ų338.8 Ų38.82%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-110.1140.5173-164.1163.1000110.4V130 L132 I135 P333 V387 L404 I406V130-I385 HydrophobicContact CG2-CD1 4.39Å; V130-I385 HydrophobicContact CG2-CG2 3.55Å; L132-I385 HydrophobicContact CB-CD1 4.38Å; L132-I385 HydrophobicContact CD2-CD1 3.48Å; L132-I385 VanDerWaalsContact CD2-CD1 3.48Å; I135-I385 HydrophobicContact CB-CD1 3.8Å; I135-I385 HydrophobicContact CB-CG1 4.47Å; I135-I385 HydrophobicContact CG1-CD1 4.21Å; I135-I385 HydrophobicContact CG2-CD1 3.79Å; I135-I385 HydrophobicContact CG2-CG1 3.92Å; P333-I385 HydrophobicContact CG-CD1 4.19Å; P333-I385 HydrophobicContact CG-CG1 4.07Å; P333-I385 WeakPolarHBondContact O-CA 3.35Å; P333-I385 WeakPolarHBondContact O-CG1 3.3Å; I385-V387 HydrophobicContact CG2-CG2 4.03Å; I385-V387 PolarHBondContact O-N 2.99Å; I385-L404 HydrophobicContact CG2-CB 4Å; I385-L404 HydrophobicContact CG2-CD2 4.47Å; I385-L404 PolarHBondContact N-O 3.2Å; I385-L404 PolarHBondContact O-N 3.01Å; I385-I406 HydrophobicContact CB-CD1 4.38Å; I385-I406 HydrophobicContact CB-CG1 4.23Å; I385-I406 HydrophobicContact CG2-CD1 3.73Å; I385-I406 HydrophobicContact CG2-CG1 4.07Å
386V95.3Very high94.5Very high8 Ų839 Ų395%0.04819%0.193CC..EExtended strand (participates in β ladder)trans-85102.2178-170.60000108.3Y318 P333 V335 K388 L403Y318-V386 WeakPolarHBondContact OH-CG2 3.31Å; P333-V386 HydrophobicContact CB-CB 4.42Å; P333-V386 WeakPolarHBondContact O-CG2 3.49Å; P333-V386 PolarHBondContact O-N 3.04Å; V335-V386 HydrophobicContact CG1-CG2 3.56Å; V335-V386 HydrophobicContact CG2-CG2 4.37Å; V386-K388 HydrophobicContact CG1-CD 4.48Å; V386-K388 HydrophobicContact CG1-CG 3.96Å; V386-L403 HydrophobicContact CB-CD2 4.31Å; V386-L403 HydrophobicContact CG1-CD2 4.19Å; V386-L403 HydrophobicContact CG2-CD2 3.81Å
387V95.1Very high94.3Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-92120.2172.1-175.10000107.4F72 V130 I135 I385 L396 L399 T401 T402 L404F72-V387 HydrophobicContact CZ-CG1 4.4Å; V130-V387 HydrophobicContact CG1-CG2 4.32Å; V130-V387 HydrophobicContact CG2-CG2 4.47Å; I135-V387 HydrophobicContact CD1-CG1 4.29Å; I135-V387 HydrophobicContact CD1-CG2 4.39Å; I385-V387 HydrophobicContact CG2-CG2 4.03Å; I385-V387 PolarHBondContact O-N 2.99Å; V387-L396 HydrophobicContact CG1-CD2 4.47Å; V387-L399 HydrophobicContact CG1-CD1 3.7Å; V387-T401 CarbonylContact O-C 3.57Å; V387-T401 VanDerWaalsContact O-CA 3.25Å; V387-T401 WeakPolarHBondContact O-CA 3.46Å; V387-T402 PolarHBondContact N-O 2.87Å; V387-T402 PolarHBondContact O-N 3.26Å; V387-L404 HydrophobicContact CG2-CB 4.04Å; V387-L404 HydrophobicContact CG2-CD2 4.39Å
388K93.4Very high94.1Very high93 Ų9341 Ų4140%0.40421%0.211SC..  trans-111.7145.7178.9-64.6-174.5-179.6175.90110.4V386 D390 T401V386-K388 HydrophobicContact CG1-CD 4.48Å; V386-K388 HydrophobicContact CG1-CG 3.96Å; K388-D390 PolarHBondContact O-N 3.39Å; K388-T401 HydrophobicContact CG-CG2 4.19Å
389N94Very high93.9Very high67 Ų6740 Ų4036%0.35821%0.206SC..  trans-62.3123.3161.6-172.2-86.7000109.3S397 L399 T401N389-S397 VanDerWaalsContact ND2-C 3.33Å; N389-S397 PolarHBondContact ND2-O 2.97Å; N389-L399 VanDerWaalsContact CB-O 3.31Å; N389-L399 WeakPolarHBondContact CB-O 3.18Å; N389-L399 PolarHBondContact ND2-O 3.09Å; N389-T401 PolarHBondContact N-OG1 2.98Å
390D91.1Very high93.6Very high18 Ų1839.3 Ų39.310%0.09621%0.209CC..  trans-138.4106.9174.5-168.6-21.5000110S142 K388 N392 F393 L396S142-D390 VanDerWaalsContact CB-OD2 3.26Å; S142-D390 WeakPolarHBondContact CB-OD2 3.44Å; K388-D390 PolarHBondContact O-N 3.39Å; D390-N392 PolarHBondContact O-N 2.87Å; D390-N392 VanDerWaalsContact O-N 3.13Å; D390-N392 VanDerWaalsContact OD1-CB 3.3Å; D390-N392 WeakPolarHBondContact OD1-CB 3.28Å; D390-N392 PolarHBondContact OD1-N 3.05Å; D390-N392 PolarHBondContact OD1-ND2 3.01Å; D390-F393 HydrophobicContact CB-CD2 4.24Å; D390-F393 PolarHBondContact O-N 3.39Å; D390-F393 VanDerWaalsContact O-N 3.11Å; D390-L396 HydrophobicContact CB-CB 4.29Å; D390-L396 HydrophobicContact CB-CD1 4.27Å
391P88.9Confident93.4Very high101 Ų10143.2 Ų43.266%0.65623%0.234SC*.THydrogen-bonded Turntrans-61.4-17.9178.9-24.934.9000114.7F393P391-F393 VanDerWaalsContact C-N 3.29Å
392N87.1Confident93.4Very high108 Ų10842.8 Ų42.858%0.57823%0.232SC*.THydrogen-bonded Turntrans-73.5-24.3177.2-57.9-61.3000112.2I152 D390I152-N392 HydrophobicContact CD1-CB 4.32Å; I152-N392 WeakPolarHBondContact CG2-O 3.41Å; D390-N392 PolarHBondContact O-N 2.87Å; D390-N392 VanDerWaalsContact O-N 3.13Å; D390-N392 VanDerWaalsContact OD1-CB 3.3Å; D390-N392 WeakPolarHBondContact OD1-CB 3.28Å; D390-N392 PolarHBondContact OD1-N 3.05Å; D390-N392 PolarHBondContact OD1-ND2 3.01Å
393F90.8Very high93.3Very high1 Ų143.4 Ų43.40%0.00424%0.235CC..SBendtrans-106.8113.3177.4-70.7-90.9000108.7A138 L141 I152 E156 D390 P391 Q395 L396 S397A138-F393 VanDerWaalsContact CA-CZ 3.48Å; A138-F393 HydrophobicContact CB-CD1 4.12Å; A138-F393 HydrophobicContact CB-CD2 4Å; A138-F393 HydrophobicContact CB-CE1 3.98Å; A138-F393 HydrophobicContact CB-CE2 3.86Å; A138-F393 HydrophobicContact CB-CG 4.14Å; A138-F393 HydrophobicContact CB-CZ 3.87Å; L141-F393 HydrophobicContact CB-CZ 4.02Å; L141-F393 HydrophobicContact CD1-CZ 4.15Å; I152-F393 HydrophobicContact CB-CE1 4.38Å; I152-F393 HydrophobicContact CB-CZ 4.37Å; I152-F393 HydrophobicContact CD1-CE1 4.44Å; I152-F393 HydrophobicContact CD1-CE2 3.74Å; I152-F393 HydrophobicContact CD1-CZ 3.64Å; I152-F393 HydrophobicContact CG1-CE1 4.04Å; I152-F393 HydrophobicContact CG1-CE2 4.23Å; I152-F393 HydrophobicContact CG1-CZ 3.61Å; I152-F393 HydrophobicContact CG2-CD1 3.84Å; I152-F393 HydrophobicContact CG2-CE1 3.67Å; I152-F393 HydrophobicContact CG2-CE2 4.38Å; I152-F393 HydrophobicContact CG2-CG 4.27Å; I152-F393 HydrophobicContact CG2-CZ 3.93Å; E156-F393 HydrophobicContact CG-CD1 4.49Å; D390-F393 HydrophobicContact CB-CD2 4.24Å; D390-F393 PolarHBondContact O-N 3.39Å; D390-F393 VanDerWaalsContact O-N 3.11Å; P391-F393 VanDerWaalsContact C-N 3.29Å; F393-Q395 PolarHBondContact O-N 3.11Å; F393-Q395 VanDerWaalsContact O-N 3.14Å; F393-L396 HydrophobicContact CB-CB 4.05Å; F393-L396 HydrophobicContact CB-CD1 3.92Å; F393-L396 HydrophobicContact CB-CG 3.96Å; F393-L396 HydrophobicContact CD2-CD1 4.49Å; F393-L396 HydrophobicContact CG-CD1 4.24Å; F393-L396 PolarHBondContact O-N 3Å; F393-S397 PolarHBondContact O-N 3.19Å
394K91.2Very high93.4Very high166 Ų16642.5 Ų42.572%0.72223%0.231SC*.THydrogen-bonded Turntrans-56.7-38.9-174.6-64.6177.1-179.5170.10110.6E156 L396 S397E156-K394 WeakPolarHBondContact OE2-CB 3.34Å; E156-K394 PolarHBondContact OE2-N 3.36Å; K394-L396 VanDerWaalsContact C-N 3.28Å; K394-L396 PolarHBondContact O-N 3.44Å; K394-S397 PolarHBondContact O-N 3.44Å; K394-S397 PolarHBondContact O-OG 2.96Å
395Q92.3Very high93.4Very high12 Ų1242.5 Ų42.56%0.05623%0.231CC..THydrogen-bonded Turntrans-69-21.8-179.3-54.1-179.265.600113.9Q73 Y134 E156 F159 L163 F393Q73-Q395 PolarHBondContact NE2-O 2.84Å; Y134-Q395 HydrophobicContact CE1-CB 4.46Å; Y134-Q395 WeakPolarHBondContact OH-CB 3.43Å; E156-Q395 PolarHBondContact OE1-NE2 3.12Å; E156-Q395 PolarHBondContact OE2-N 3.27Å; F159-Q395 PolarHBondContact O-NE2 3.28Å; L163-Q395 HydrophobicContact CB-CB 4.07Å; L163-Q395 HydrophobicContact CD2-CB 4.37Å; L163-Q395 WeakPolarHBondContact CD2-O 3.5Å; F393-Q395 PolarHBondContact O-N 3.11Å; F393-Q395 VanDerWaalsContact O-N 3.14Å
396L94.1Very high93.5Very high6 Ų642.8 Ų42.83%0.03123%0.232CC..THydrogen-bonded Turntrans-100.7-14.2178.9-58.7179.8000113.8Y134 I135 A138 L163 V387 D390 F393 K394 N398 L399Y134-L396 HydrophobicContact CE1-CD1 4.15Å; Y134-L396 HydrophobicContact CE1-CD2 4.02Å; Y134-L396 HydrophobicContact CE1-CG 3.93Å; I135-L396 HydrophobicContact CD1-CD2 3.79Å; A138-L396 HydrophobicContact CB-CD1 3.63Å; L163-L396 HydrophobicContact CD1-CD2 3.55Å; L163-L396 HydrophobicContact CD2-CD2 4.23Å; V387-L396 HydrophobicContact CG1-CD2 4.47Å; D390-L396 HydrophobicContact CB-CB 4.29Å; D390-L396 HydrophobicContact CB-CD1 4.27Å; F393-L396 HydrophobicContact CB-CB 4.05Å; F393-L396 HydrophobicContact CB-CD1 3.92Å; F393-L396 HydrophobicContact CB-CG 3.96Å; F393-L396 HydrophobicContact CD2-CD1 4.49Å; F393-L396 HydrophobicContact CG-CD1 4.24Å; F393-L396 PolarHBondContact O-N 3Å; K394-L396 VanDerWaalsContact C-N 3.28Å; K394-L396 PolarHBondContact O-N 3.44Å; L396-N398 PolarHBondContact O-N 3.01Å; L396-N398 VanDerWaalsContact O-N 3.12Å; L396-L399 HydrophobicContact CB-CD1 4.38Å; L396-L399 HydrophobicContact CD2-CD1 3.45Å; L396-L399 VanDerWaalsContact CD2-CD1 3.45Å; L396-L399 PolarHBondContact O-N 2.92Å; L396-L399 VanDerWaalsContact O-N 3.15Å
397S92.8Very high93.6Very high37 Ų3742.4 Ų42.426%0.25923%0.229SC..THydrogen-bonded Turntrans-59.8-25.4-169.564.30000115.6N389 F393 K394N389-S397 VanDerWaalsContact ND2-C 3.33Å; N389-S397 PolarHBondContact ND2-O 2.97Å; F393-S397 PolarHBondContact O-N 3.19Å; K394-S397 PolarHBondContact O-N 3.44Å; K394-S397 PolarHBondContact O-OG 2.96Å
398N93.7Very high93.8Very high108 Ų10842.6 Ų42.658%0.57823%0.23SC*.THydrogen-bonded Turntrans-107.6-6.8-179.4-68.5-32.4000113.5Q73 G75 L396Q73-N398 VanDerWaalsContact O-CB 3.24Å; Q73-N398 WeakPolarHBondContact O-CB 3.44Å; G75-N398 WeakPolarHBondContact CA-O 3.28Å; G75-N398 PolarHBondContact N-O 3.2Å; L396-N398 PolarHBondContact O-N 3.01Å; L396-N398 VanDerWaalsContact O-N 3.12Å
399L92.6Very high94Very high3 Ų339.2 Ų39.22%0.01622%0.217CC..  trans-68.5146.2-179.1-77.6163.6000111.3F72 L163 V387 N389 L396F72-L399 HydrophobicContact CD1-CD2 3.74Å; F72-L399 HydrophobicContact CD2-CD2 3.77Å; F72-L399 HydrophobicContact CE1-CD2 3.65Å; F72-L399 HydrophobicContact CE2-CD2 3.68Å; F72-L399 HydrophobicContact CG-CD2 3.8Å; F72-L399 HydrophobicContact CZ-CD2 3.63Å; F72-L399 VanDerWaalsContact O-CD2 3.26Å; F72-L399 WeakPolarHBondContact O-CD2 3.44Å; L163-L399 HydrophobicContact CD2-CD1 3.54Å; V387-L399 HydrophobicContact CG1-CD1 3.7Å; N389-L399 VanDerWaalsContact CB-O 3.31Å; N389-L399 WeakPolarHBondContact CB-O 3.18Å; N389-L399 PolarHBondContact ND2-O 3.09Å; L396-L399 HydrophobicContact CB-CD1 4.38Å; L396-L399 HydrophobicContact CD2-CD1 3.45Å; L396-L399 VanDerWaalsContact CD2-CD1 3.45Å; L396-L399 PolarHBondContact O-N 2.92Å; L396-L399 VanDerWaalsContact O-N 3.15Å
400S90.7Very high94.2Very high45 Ų4536.7 Ų36.732%0.31520%0.203SC..  trans-79.7136.9164.656.50000110.1T402S400-T402 PolarHBondContact O-N 3.02Å; S400-T402 VanDerWaalsContact O-N 3.09Å; S400-T402 PolarHBondContact O-OG1 3.16Å; S400-T402 PolarHBondContact OG-OG1 2.95Å
401T92.6Very high94.5Very high95 Ų9537.7 Ų37.758%0.58321%0.207SC*.  trans-63.4114.3176.3-64.40000110V387 K388 N389V387-T401 CarbonylContact O-C 3.57Å; V387-T401 VanDerWaalsContact O-CA 3.25Å; V387-T401 WeakPolarHBondContact O-CA 3.46Å; K388-T401 HydrophobicContact CG-CG2 4.19Å; N389-T401 PolarHBondContact N-OG1 2.98Å
402T95.8Very high94.9Very high7 Ų734 Ų344%0.04318%0.184CC..EExtended strand (participates in β ladder)trans-139.9141.7-168.5-56.10000110.9P78 A351 V352 V387 S400 L404P78-T402 HydrophobicContact CG-CG2 4.09Å; A351-T402 HydrophobicContact CB-CG2 4.27Å; V352-T402 HydrophobicContact CG2-CG2 3.76Å; V387-T402 PolarHBondContact N-O 2.87Å; V387-T402 PolarHBondContact O-N 3.26Å; S400-T402 PolarHBondContact O-N 3.02Å; S400-T402 VanDerWaalsContact O-N 3.09Å; S400-T402 PolarHBondContact O-OG1 3.16Å; S400-T402 PolarHBondContact OG-OG1 2.95Å; T402-L404 PolarHBondContact O-N 2.92Å
403L97.2Very high95.3Very high13 Ų1330.8 Ų30.87%0.06817%0.168CC..EExtended strand (participates in β ladder)trans-83.993.8164.3-60.2-171.5000107.7Y318 I322 V335 F341 Y348 V386 P405Y318-L403 HydrophobicContact CE1-CD2 4.06Å; I322-L403 HydrophobicContact CD1-CD1 3.63Å; I322-L403 HydrophobicContact CG1-CD1 3.79Å; I322-L403 HydrophobicContact CG2-CD1 4.11Å; V335-L403 HydrophobicContact CG2-CD1 4.09Å; V335-L403 HydrophobicContact CG2-CD2 3.96Å; V335-L403 HydrophobicContact CG2-CG 4.49Å; F341-L403 HydrophobicContact CE1-CB 4.28Å; F341-L403 HydrophobicContact CZ-CB 4.18Å; F341-L403 WeakPolarHBondContact CZ-O 3.49Å; Y348-L403 HydrophobicContact CD1-CD1 3.51Å; Y348-L403 HydrophobicContact CD1-CG 3.99Å; Y348-L403 HydrophobicContact CE1-CD1 3.47Å; Y348-L403 VanDerWaalsContact CE1-CD1 3.47Å; Y348-L403 HydrophobicContact CE1-CG 4.05Å; Y348-L403 HydrophobicContact CG-CD1 4.12Å; V386-L403 HydrophobicContact CB-CD2 4.31Å; V386-L403 HydrophobicContact CG1-CD2 4.19Å; V386-L403 HydrophobicContact CG2-CD2 3.81Å; L403-P405 WeakPolarHBondContact O-CD 3.4Å
404L97.9Very high95.6Very high2 Ų234.5 Ų34.51%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-81.8119-176.1-174.373.4000109.3F72 P78 V80 V130 N384 I385 V387 T402F72-L404 HydrophobicContact CE1-CD1 4.42Å; F72-L404 HydrophobicContact CE1-CD2 4.33Å; P78-L404 HydrophobicContact CB-CD1 3.78Å; P78-L404 HydrophobicContact CG-CD1 3.95Å; V80-L404 HydrophobicContact CG1-CD1 4.45Å; V130-L404 HydrophobicContact CB-CD2 4.27Å; V130-L404 HydrophobicContact CG1-CD2 3.52Å; V130-L404 HydrophobicContact CG2-CD2 3.83Å; N384-L404 CarbonylContact C-O 3.47Å; N384-L404 VanDerWaalsContact CA-O 3.28Å; N384-L404 WeakPolarHBondContact CA-O 3.2Å; I385-L404 HydrophobicContact CG2-CB 4Å; I385-L404 HydrophobicContact CG2-CD2 4.47Å; I385-L404 PolarHBondContact N-O 3.2Å; I385-L404 PolarHBondContact O-N 3.01Å; V387-L404 HydrophobicContact CG2-CB 4.04Å; V387-L404 HydrophobicContact CG2-CD2 4.39Å; T402-L404 PolarHBondContact O-N 2.92Å
405P98.4Very high95.7Very high0 Ų027.6 Ų27.60%016%0.156CC..EExtended strand (participates in β ladder)trans-70.9135.9177.632.3-37.8000110.1F64 V80 F341 V352 M355 N384 L403F64-P405 HydrophobicContact CB-CG 4.39Å; F64-P405 WeakPolarHBondContact CB-O 3.35Å; F64-P405 HydrophobicContact CD2-CB 3.57Å; F64-P405 HydrophobicContact CD2-CG 4.17Å; F64-P405 HydrophobicContact CE2-CB 3.85Å; F64-P405 HydrophobicContact CG-CB 4.06Å; F64-P405 HydrophobicContact CG-CG 4.16Å; V80-P405 HydrophobicContact CG2-CG 4.28Å; F341-P405 HydrophobicContact CE2-CB 4.32Å; F341-P405 HydrophobicContact CE2-CG 4.35Å; F341-P405 HydrophobicContact CZ-CB 4.39Å; V352-P405 HydrophobicContact CG1-CG 4.01Å; M355-P405 HydrophobicContact CE-CB 4.45Å; M355-P405 HydrophobicContact CE-CG 3.74Å; M355-P405 HydrophobicContact SD-CB 4.41Å; M355-P405 HydrophobicContact SD-CG 3.99Å; N384-P405 WeakPolarHBondContact OD1-CA 3.35Å; L403-P405 WeakPolarHBondContact O-CD 3.4Å
406I98Very high95.8Very high8 Ų830.9 Ų30.94%0.04117%0.174CC..EExtended strand (participates in β ladder)trans-104.6-53.5-178.9-59.9-58.6000110.2F64 S129 V130 L132 L197 I383 I385F64-I406 PolarHBondContact N-O 3.39Å; S129-I406 VanDerWaalsContact OG-CD1 3.29Å; S129-I406 WeakPolarHBondContact OG-CD1 3.46Å; V130-I406 HydrophobicContact CG2-CD1 4.25Å; L132-I406 HydrophobicContact CD2-CD1 4.16Å; L132-I406 HydrophobicContact CD2-CG1 4.34Å; L197-I406 HydrophobicContact CD1-CG2 3.85Å; L197-I406 HydrophobicContact CD2-CG2 4.32Å; I383-I406 PolarHBondContact O-N 3.48Å; I385-I406 HydrophobicContact CB-CD1 4.38Å; I385-I406 HydrophobicContact CB-CG1 4.23Å; I385-I406 HydrophobicContact CG2-CD1 3.73Å; I385-I406 HydrophobicContact CG2-CG1 4.07Å
407M98.2Very high95.8Very high0 Ų035.1 Ų35.10%020%0.197CC..EExtended strand (participates in β ladder)trans-158.7158.6173.867.8175.2-174.500110.9F61 Y62 F63 L173 L197 F198 Q382 I383 I409F61-M407 HydrophobicContact CD1-CE 4.01Å; F61-M407 HydrophobicContact CD1-SD 3.85Å; F61-M407 HydrophobicContact CE1-CE 4.2Å; Y62-M407 CarbonylContact O-C 3.33Å; Y62-M407 WeakPolarHBondContact O-CA 3.38Å; Y62-M407 VanDerWaalsContact O-CB 3.23Å; Y62-M407 WeakPolarHBondContact O-CB 3.35Å; F63-M407 HydrophobicContact CD1-CB 3.8Å; F63-M407 HydrophobicContact CD1-SD 4.33Å; F63-M407 HydrophobicContact CE1-CB 4.09Å; F63-M407 HydrophobicContact CE1-CG 4.38Å; F63-M407 HydrophobicContact CE1-SD 3.67Å; F63-M407 HydrophobicContact CE2-SD 4.35Å; F63-M407 HydrophobicContact CG-CB 4.17Å; F63-M407 HydrophobicContact CZ-SD 3.68Å; L173-M407 HydrophobicContact CD2-CE 4.1Å; L173-M407 HydrophobicContact CD2-SD 3.99Å; L197-M407 HydrophobicContact CB-CE 3.7Å; L197-M407 HydrophobicContact CD1-CE 3.66Å; L197-M407 HydrophobicContact CD1-CG 4.12Å; L197-M407 HydrophobicContact CD1-SD 3.61Å; L197-M407 HydrophobicContact CG-CE 4.2Å; F198-M407 HydrophobicContact CD2-CE 3.8Å; F198-M407 HydrophobicContact CE2-CE 3.52Å; Q382-M407 WeakPolarHBondContact CA-O 3.11Å; Q382-M407 WeakPolarHBondContact CG-O 3.49Å; I383-M407 HydrophobicContact CD1-CE 3.67Å; I383-M407 PolarHBondContact N-O 2.87Å; I383-M407 PolarHBondContact O-N 3.23Å; M407-I409 HydrophobicContact CE-CD1 4.06Å; M407-I409 HydrophobicContact CE-CG1 4.09Å
408F98.4Very high95.8Very high5 Ų538 Ų382%0.02221%0.213CC..EExtended strand (participates in β ladder)trans-115.8156.3158.978.2-95.3000111.3Y62 F64 Q82 P339 H340 F361 L381 Q382Y62-F408 HydrophobicContact CD1-CE1 4.22Å; Y62-F408 HydrophobicContact CD1-CE2 4.28Å; Y62-F408 AromaticContact CD1-CZ 3.67Å; Y62-F408 HydrophobicContact CD1-CZ 3.67Å; Y62-F408 AromaticContact CD2-CD2 3.73Å; Y62-F408 HydrophobicContact CD2-CD2 3.73Å; Y62-F408 HydrophobicContact CD2-CE1 4.16Å; Y62-F408 AromaticContact CD2-CE2 3.12Å; Y62-F408 HydrophobicContact CD2-CE2 3.12Å; Y62-F408 HydrophobicContact CD2-CG 4.44Å; Y62-F408 AromaticContact CD2-CZ 3.38Å; Y62-F408 HydrophobicContact CD2-CZ 3.38Å; Y62-F408 HydrophobicContact CE1-CZ 4.19Å; Y62-F408 HydrophobicContact CE2-CD2 4.43Å; Y62-F408 AromaticContact CE2-CE2 3.58Å; Y62-F408 HydrophobicContact CE2-CE2 3.58Å; Y62-F408 AromaticContact CE2-CZ 3.95Å; Y62-F408 HydrophobicContact CE2-CZ 3.95Å; Y62-F408 HydrophobicContact CG-CD1 4.31Å; Y62-F408 HydrophobicContact CG-CD2 4.2Å; Y62-F408 AromaticContact CG-CE1 3.66Å; Y62-F408 HydrophobicContact CG-CE1 3.66Å; Y62-F408 AromaticContact CG-CE2 3.52Å; Y62-F408 HydrophobicContact CG-CE2 3.52Å; Y62-F408 AromaticContact CG-CZ 3.2Å; Y62-F408 HydrophobicContact CG-CZ 3.2Å; Y62-F408 PolarHBondContact N-O 3.44Å; Y62-F408 PolarHBondContact O-N 2.89Å; F64-F408 AromaticContact CE2-CD1 3.93Å; F64-F408 HydrophobicContact CE2-CD1 3.93Å; F64-F408 AromaticContact CZ-CD1 3.71Å; F64-F408 HydrophobicContact CZ-CD1 3.71Å; F64-F408 HydrophobicContact CZ-CE1 4.24Å; Q82-F408 HydrophobicContact CG-CE1 4.29Å; P339-F408 HydrophobicContact CB-CB 3.86Å; P339-F408 HydrophobicContact CB-CD1 4.16Å; P339-F408 HydrophobicContact CB-CD2 3.9Å; P339-F408 HydrophobicContact CB-CE2 4.47Å; P339-F408 HydrophobicContact CB-CG 3.72Å; P339-F408 HydrophobicContact CG-CB 4.05Å; P339-F408 HydrophobicContact CG-CD2 3.94Å; P339-F408 HydrophobicContact CG-CG 4.12Å; H340-F408 AromaticContact NE2-CE1 3.52Å; F361-F408 HydrophobicContact CD1-CE2 4.45Å; F361-F408 HydrophobicContact CD1-CZ 4.44Å; F361-F408 HydrophobicContact CE1-CE1 4.32Å; F361-F408 HydrophobicContact CE1-CE2 4.23Å; F361-F408 AromaticContact CE1-CZ 3.81Å; F361-F408 HydrophobicContact CE1-CZ 3.81Å; L381-F408 CarbonylContact O-C 3.54Å; L381-F408 VanDerWaalsContact O-CA 3.28Å; L381-F408 WeakPolarHBondContact O-CA 3.35Å; L381-F408 WeakPolarHBondContact O-CB 3.38Å; Q382-F408 HydrophobicContact CB-CB 3.85Å; Q382-F408 HydrophobicContact CG-CB 4.18Å
409I98.3Very high95.8Very high22 Ų2234.7 Ų34.711%0.11320%0.195CC..EExtended strand (participates in β ladder)trans-119.4137.3-174.9-56.1151.2000107.5I59 Q60 F61 F198 K380 L381 I383 M407I59-I409 HydrophobicContact CD1-CG2 3.75Å; I59-I409 HydrophobicContact CG1-CG2 3.55Å; Q60-I409 CarbonylContact O-C 3.56Å; Q60-I409 WeakPolarHBondContact O-CA 3.15Å; F61-I409 HydrophobicContact CD1-CG1 3.83Å; F61-I409 HydrophobicContact CD1-CG2 4.44Å; F61-I409 HydrophobicContact CE1-CG1 3.96Å; F61-I409 HydrophobicContact CE1-CG2 4.25Å; F198-I409 HydrophobicContact CE2-CD1 3.76Å; F198-I409 HydrophobicContact CE2-CG1 4.46Å; F198-I409 HydrophobicContact CZ-CD1 3.76Å; F198-I409 HydrophobicContact CZ-CG1 4.49Å; K380-I409 VanDerWaalsContact CA-O 3.26Å; K380-I409 WeakPolarHBondContact CA-O 3.18Å; L381-I409 PolarHBondContact N-O 3.11Å; L381-I409 PolarHBondContact O-N 2.85Å; I383-I409 HydrophobicContact CD1-CD1 4.18Å; M407-I409 HydrophobicContact CE-CD1 4.06Å; M407-I409 HydrophobicContact CE-CG1 4.09Å
410N98.2Very high95.9Very high13 Ų1334.6 Ų34.67%0.0719%0.194CC..EExtended strand (participates in β ladder)trans-119105.4165.1178.134.3000109Q60 Y62 K379 K380Q60-N410 HydrophobicContact CB-CB 4.31Å; Q60-N410 PolarHBondContact N-O 2.95Å; Q60-N410 PolarHBondContact O-N 3.31Å; Q60-N410 PolarHBondContact OE1-ND2 3.35Å; Y62-N410 HydrophobicContact CE2-CB 4.18Å; K379-N410 WeakPolarHBondContact O-CA 3.42Å; K380-N410 WeakPolarHBondContact CE-OD1 3.26Å; K380-N410 HydrophobicContact CG-CB 4.29Å
411E97.6Very high96.1Very high39 Ų3936.3 Ų36.318%0.18220%0.197CC..EExtended strand (participates in β ladder)trans-94.8117.6172-176.4-162141.500108.3I57 F58 R92 E378 K379I57-E411 HydrophobicContact CG2-CG 4.31Å; F58-E411 CarbonylContact O-C 3.57Å; F58-E411 WeakPolarHBondContact O-CA 3.41Å; R92-E411 IonicContact CZ-OE1 2.88Å; R92-E411 IonicContact NH1-OE1 3.88Å; R92-E411 PolarHBondContact NH1-OE1 3.48Å; R92-E411 IonicContact NH2-OE1 3.13Å; R92-E411 PolarHBondContact NH2-OE1 2.86Å; R92-E411 IonicContact NH2-OE2 3.99Å; E378-E411 CarbonylContact C-O 3.44Å; E378-E411 WeakPolarHBondContact CA-O 3.45Å; K379-E411 HydrophobicContact CB-CB 4.28Å; K379-E411 PolarHBondContact N-O 3.1Å; K379-E411 PolarHBondContact O-N 3.49Å
412S97.4Very high96.2Very high24 Ų2436.5 Ų36.517%0.16819%0.192CC..EExtended strand (participates in β ladder)trans-131.4146.4-169.765.10000112.9I57 F58 A377I57-S412 WeakPolarHBondContact CA-O 3.44Å; F58-S412 PolarHBondContact N-O 3.3Å; F58-S412 PolarHBondContact O-N 2.94Å; F58-S412 PolarHBondContact O-OG 2.96Å; A377-S412 VanDerWaalsContact O-CA 3.24Å; A377-S412 WeakPolarHBondContact O-CA 3.26Å
413V95.9Very high96.1Very high41 Ų4138.2 Ų38.225%0.24820%0.199CC..EExtended strand (participates in β ladder)trans-142.1141.2173.962.20000108.8V55 I57 I374 R376 A377V55-V413 HydrophobicContact CB-CG2 4.42Å; V55-V413 HydrophobicContact CG1-CG2 3.7Å; I57-V413 HydrophobicContact CG1-CB 4.28Å; I57-V413 HydrophobicContact CG1-CG2 4.1Å; I374-V413 HydrophobicContact CG2-CG1 4.44Å; R376-V413 CarbonylContact C-O 3.57Å; R376-V413 VanDerWaalsContact CA-O 3.24Å; R376-V413 WeakPolarHBondContact CA-O 3.32Å; A377-V413 HydrophobicContact CB-CG1 4Å; A377-V413 PolarHBondContact N-O 2.89Å; A377-V413 PolarHBondContact O-N 2.85Å
414Q95.5Very high96Very high78 Ų7838.1 Ų38.136%0.36420%0.198SC..EExtended strand (participates in β ladder)trans-143.7130172.2-178175.9-56.300109.3V55 I375 R376V55-Q414 WeakPolarHBondContact CG1-O 3.46Å; I375-Q414 WeakPolarHBondContact O-CA 3.35Å; R376-Q414 HydrophobicContact CB-CG 4.38Å; R376-Q414 HydrophobicContact CG-CB 4.42Å
415L94.4Very high95.9Very high22 Ų2240.9 Ų40.912%0.11522%0.215CC..  trans-61.3139.7172.4-60.9-170.9000110.1V55 I375 L419 I420 F423V55-L415 HydrophobicContact CB-CD2 4.43Å; V55-L415 HydrophobicContact CG1-CD2 4.26Å; V55-L415 HydrophobicContact CG2-CD2 3.6Å; I375-L415 HydrophobicContact CD1-CD1 3.59Å; I375-L415 PolarHBondContact O-N 2.7Å; L415-L419 HydrophobicContact CB-CB 4.32Å; L415-L419 HydrophobicContact CD2-CD1 4.32Å; L415-I420 HydrophobicContact CB-CD1 4.3Å; L415-I420 HydrophobicContact CB-CG1 3.85Å; L415-I420 VanDerWaalsContact O-CD1 3.29Å; L415-I420 WeakPolarHBondContact O-CD1 3.44Å; L415-F423 HydrophobicContact CD1-CD2 4.45Å; L415-F423 HydrophobicContact CD1-CE2 4.03Å
416N93.6Very high95.6Very high80 Ų8045.8 Ų45.843%0.42824%0.24SC..  trans-67160.7175.267.335.9000111.3T418 L419 I420N416-T418 PolarHBondContact O-N 3.44Å; N416-T418 PolarHBondContact OD1-N 3.37Å; N416-L419 PolarHBondContact O-N 2.91Å; N416-L419 VanDerWaalsContact O-N 3.16Å; N416-L419 WeakPolarHBondContact OD1-CB 3.5Å; N416-L419 VanDerWaalsContact OD1-CG 3.26Å; N416-L419 WeakPolarHBondContact OD1-CG 3.25Å; N416-L419 PolarHBondContact OD1-N 3.33Å; N416-I420 WeakPolarHBondContact O-CG1 3.23Å; N416-I420 PolarHBondContact O-N 2.97Å
417D93.9Very high95.4Very high95 Ų9546.3 Ų46.351%0.50824%0.243SC..Hα-helixtrans-57.8-36.3-176.4-65.7-6.2000112.4N284 I420 Q421N284-D417 VanDerWaalsContact ND2-CG 3.3Å; N284-D417 PolarHBondContact ND2-OD1 3.27Å; D417-I420 PolarHBondContact O-N 3.37Å; D417-Q421 VanDerWaalsContact O-CG 3.31Å; D417-Q421 WeakPolarHBondContact O-CG 3.3Å; D417-Q421 PolarHBondContact O-N 2.88Å
418T94Very high95.2Very high97 Ų9749.6 Ų49.660%0.59526%0.26SS*.Hα-helixtrans-61.5-47.7178.1-55.10000111.9N416 Q421 Q422N416-T418 PolarHBondContact O-N 3.44Å; N416-T418 PolarHBondContact OD1-N 3.37Å; T418-Q421 PolarHBondContact O-N 2.86Å; T418-Q422 WeakPolarHBondContact O-CG 3.31Å; T418-Q422 PolarHBondContact O-N 3.2Å
419L92.8Very high95Very high40 Ų4053.4 Ų53.421%0.20928%0.278CS..Hα-helixtrans-64.1-44.3176.3-70.9173000110.2V55 L415 N416 Q421 Q422 F423V55-L419 HydrophobicContact CG2-CD1 3.69Å; L415-L419 HydrophobicContact CB-CB 4.32Å; L415-L419 HydrophobicContact CD2-CD1 4.32Å; N416-L419 PolarHBondContact O-N 2.91Å; N416-L419 VanDerWaalsContact O-N 3.16Å; N416-L419 WeakPolarHBondContact OD1-CB 3.5Å; N416-L419 VanDerWaalsContact OD1-CG 3.26Å; N416-L419 WeakPolarHBondContact OD1-CG 3.25Å; N416-L419 PolarHBondContact OD1-N 3.33Å; L419-Q421 VanDerWaalsContact C-N 3.29Å; L419-Q421 PolarHBondContact O-N 3.5Å; L419-Q422 WeakPolarHBondContact O-CA 3.26Å; L419-Q422 WeakPolarHBondContact O-CB 3.25Å; L419-Q422 PolarHBondContact O-N 2.92Å; L419-F423 WeakPolarHBondContact O-CD2 3.32Å; L419-F423 PolarHBondContact O-N 2.79Å
420I94.9Very high94.8Very high0 Ų055.7 Ų55.70%029%0.293CS..Hα-helixtrans-60.3-40.7176.5-63167.5000111.1I283 N284 L286 I375 L415 N416 D417 Q422 F423 I424I283-I420 HydrophobicContact CG2-CD1 3.94Å; N284-I420 HydrophobicContact CB-CG2 3.87Å; L286-I420 HydrophobicContact CB-CG2 3.89Å; L286-I420 HydrophobicContact CD2-CG2 4.13Å; I375-I420 HydrophobicContact CG2-CD1 4.18Å; I375-I420 HydrophobicContact CG2-CG1 4.18Å; L415-I420 HydrophobicContact CB-CD1 4.3Å; L415-I420 HydrophobicContact CB-CG1 3.85Å; L415-I420 VanDerWaalsContact O-CD1 3.29Å; L415-I420 WeakPolarHBondContact O-CD1 3.44Å; N416-I420 WeakPolarHBondContact O-CG1 3.23Å; N416-I420 PolarHBondContact O-N 2.97Å; D417-I420 PolarHBondContact O-N 3.37Å; I420-Q422 VanDerWaalsContact C-N 3.33Å; I420-Q422 PolarHBondContact O-N 3.45Å; I420-F423 WeakPolarHBondContact O-CB 3.45Å; I420-F423 PolarHBondContact O-N 3.2Å; I420-I424 HydrophobicContact CG2-CD1 4.14Å; I420-I424 WeakPolarHBondContact O-CG1 3.47Å; I420-I424 PolarHBondContact O-N 3.37Å
421Q96Very high94.6Very high81 Ų8156.1 Ų56.138%0.37930%0.296SS..Hα-helixtrans-62.8-38.2173.9-70.9-49.1-43.900112.2D417 T418 L419 F423 I424 V425D417-Q421 VanDerWaalsContact O-CG 3.31Å; D417-Q421 WeakPolarHBondContact O-CG 3.3Å; D417-Q421 PolarHBondContact O-N 2.88Å; T418-Q421 PolarHBondContact O-N 2.86Å; L419-Q421 VanDerWaalsContact C-N 3.29Å; L419-Q421 PolarHBondContact O-N 3.5Å; Q421-F423 VanDerWaalsContact C-N 3.34Å; Q421-F423 PolarHBondContact O-N 3.47Å; Q421-I424 PolarHBondContact O-N 3.48Å; Q421-V425 VanDerWaalsContact O-CG2 3.28Å; Q421-V425 WeakPolarHBondContact O-CG2 3.45Å; Q421-V425 PolarHBondContact O-N 2.88Å
422Q93.3Very high94.5Very high100 Ų10061 Ų6147%0.46731%0.314SS..Hα-helixtrans-60.6-43.3173.7-69.6174.3-000111.6T418 L419 I420 I424 V425 I426T418-Q422 WeakPolarHBondContact O-CG 3.31Å; T418-Q422 PolarHBondContact O-N 3.2Å; L419-Q422 WeakPolarHBondContact O-CA 3.26Å; L419-Q422 WeakPolarHBondContact O-CB 3.25Å; L419-Q422 PolarHBondContact O-N 2.92Å; I420-Q422 VanDerWaalsContact C-N 3.33Å; I420-Q422 PolarHBondContact O-N 3.45Å; Q422-I424 PolarHBondContact O-N 2.84Å; Q422-V425 PolarHBondContact O-N 2.94Å; Q422-I426 WeakPolarHBondContact O-CB 3.33Å; Q422-I426 VanDerWaalsContact O-CG1 3.25Å; Q422-I426 WeakPolarHBondContact O-CG1 3.22Å; Q422-I426 PolarHBondContact O-N 3.32Å
423F93.7Very high94.5Very high43 Ų4364.2 Ų64.219%0.18933%0.328CS..Hα-helixtrans-58.5-46.8173.3-87.8-101.3000111.7L286 E368 T371 I375 L415 L419 I420 Q421 V425 I426 L427L286-F423 HydrophobicContact CD1-CB 4.1Å; L286-F423 HydrophobicContact CD2-CB 3.95Å; L286-F423 HydrophobicContact CD2-CG 4.44Å; E368-F423 HydrophobicContact CG-CD1 4.25Å; T371-F423 HydrophobicContact CG2-CE1 4.13Å; I375-F423 HydrophobicContact CD1-CD1 4.35Å; I375-F423 HydrophobicContact CD1-CE1 4.36Å; L415-F423 HydrophobicContact CD1-CD2 4.45Å; L415-F423 HydrophobicContact CD1-CE2 4.03Å; L419-F423 WeakPolarHBondContact O-CD2 3.32Å; L419-F423 PolarHBondContact O-N 2.79Å; I420-F423 WeakPolarHBondContact O-CB 3.45Å; I420-F423 PolarHBondContact O-N 3.2Å; Q421-F423 VanDerWaalsContact C-N 3.34Å; Q421-F423 PolarHBondContact O-N 3.47Å; F423-V425 PolarHBondContact O-N 3.35Å; F423-I426 PolarHBondContact O-N 2.87Å; F423-L427 HydrophobicContact CD1-CD1 3.61Å; F423-L427 HydrophobicContact CE1-CD1 4.33Å; F423-L427 HydrophobicContact CG-CD1 4.48Å; F423-L427 VanDerWaalsContact O-CB 3.26Å; F423-L427 WeakPolarHBondContact O-CB 3.47Å; F423-L427 WeakPolarHBondContact O-CG 3.35Å; F423-L427 PolarHBondContact O-N 3.29Å
424I95.6Very high94.5Very high11 Ų1164.8 Ų64.86%0.05633%0.332CS..Hα-helixtrans-61.4-44.6178.5-66.4171.2000111.2N284 K285 L286 I420 Q421 Q422 I428 Q429N284-I424 WeakPolarHBondContact O-CD1 3.31Å; K285-I424 HydrophobicContact CB-CD1 4.39Å; L286-I424 HydrophobicContact CB-CD1 4.15Å; L286-I424 HydrophobicContact CB-CG1 3.86Å; L286-I424 HydrophobicContact CD1-CG1 3.86Å; L286-I424 HydrophobicContact CG-CG1 4.44Å; I420-I424 HydrophobicContact CG2-CD1 4.14Å; I420-I424 WeakPolarHBondContact O-CG1 3.47Å; I420-I424 PolarHBondContact O-N 3.37Å; Q421-I424 PolarHBondContact O-N 3.48Å; Q422-I424 PolarHBondContact O-N 2.84Å; I424-I428 WeakPolarHBondContact O-CA 3.47Å; I424-I428 WeakPolarHBondContact O-CB 3.38Å; I424-I428 PolarHBondContact O-N 3.18Å; I424-I428 VanDerWaalsContact O-N 3.07Å; I424-Q429 HydrophobicContact CG2-CG 3.92Å; I424-Q429 PolarHBondContact O-N 3.15Å
425V95.3Very high94.5Very high59 Ų5965.3 Ų65.336%0.35833%0.334SS..Iπ-helixtrans-62.3-53.4179.1171.10000110.1Q421 Q422 F423 Q429 T430Q421-V425 VanDerWaalsContact O-CG2 3.28Å; Q421-V425 WeakPolarHBondContact O-CG2 3.45Å; Q421-V425 PolarHBondContact O-N 2.88Å; Q422-V425 PolarHBondContact O-N 2.94Å; F423-V425 PolarHBondContact O-N 3.35Å; V425-Q429 PolarHBondContact O-N 3.36Å; V425-T430 WeakPolarHBondContact O-CB 3.32Å; V425-T430 PolarHBondContact O-N 3.47Å; V425-T430 PolarHBondContact O-OG1 2.99Å; V425-T430 VanDerWaalsContact O-OG1 3.11Å
426I92.6Very high94.6Very high103 Ų10367.7 Ų67.753%0.52835%0.346SS..Iπ-helixtrans-70.4-43.9-171.9-66.5168.1000111.9Q422 F423 P431Q422-I426 WeakPolarHBondContact O-CB 3.33Å; Q422-I426 VanDerWaalsContact O-CG1 3.25Å; Q422-I426 WeakPolarHBondContact O-CG1 3.22Å; Q422-I426 PolarHBondContact O-N 3.32Å; F423-I426 PolarHBondContact O-N 2.87Å; I426-P431 VanDerWaalsContact O-CD 3.31Å; I426-P431 WeakPolarHBondContact O-CD 3.2Å
427L93.1Very high94.7Very high20 Ų2068.3 Ų68.311%0.10535%0.348CS..Iπ-helixtrans-91.5-26.3-171.4-58.3177.8000113.6I34 E368 T371 F423I34-L427 HydrophobicContact CD1-CD2 4.2Å; I34-L427 HydrophobicContact CG1-CD2 4.33Å; E368-L427 VanDerWaalsContact CD-CD1 3.49Å; E368-L427 HydrophobicContact CG-CD1 3.93Å; E368-L427 WeakPolarHBondContact OE2-CD1 3.3Å; T371-L427 HydrophobicContact CG2-CD1 3.81Å; T371-L427 HydrophobicContact CG2-CD2 4.01Å; F423-L427 HydrophobicContact CD1-CD1 3.61Å; F423-L427 HydrophobicContact CE1-CD1 4.33Å; F423-L427 HydrophobicContact CG-CD1 4.48Å; F423-L427 VanDerWaalsContact O-CB 3.26Å; F423-L427 WeakPolarHBondContact O-CB 3.47Å; F423-L427 WeakPolarHBondContact O-CG 3.35Å; F423-L427 PolarHBondContact O-N 3.29Å
428I93.9Very high94.8Very high68 Ų6864.7 Ų64.735%0.34933%0.329SS..Iπ-helixtrans-119.4-61.5-172.3-56.1176.1000111.2L286 P287 I424 Y432L286-I428 HydrophobicContact CD1-CD1 4.16Å; P287-I428 HydrophobicContact CG-CD1 4.03Å; I424-I428 WeakPolarHBondContact O-CA 3.47Å; I424-I428 WeakPolarHBondContact O-CB 3.38Å; I424-I428 PolarHBondContact O-N 3.18Å; I424-I428 VanDerWaalsContact O-N 3.07Å; I428-Y432 WeakPolarHBondContact O-CB 3.42Å; I428-Y432 PolarHBondContact O-N 2.95Å; I428-Y432 VanDerWaalsContact O-N 3.1Å
429Q94.8Very high94.9Very high85 Ų8563.9 Ų63.940%0.39732%0.32SS..Iπ-helixtrans-67.7-48.5-170-62.8178.5-9.600112.3I424 V425 Y432 I433I424-Q429 HydrophobicContact CG2-CG 3.92Å; I424-Q429 PolarHBondContact O-N 3.15Å; V425-Q429 PolarHBondContact O-N 3.36Å; Q429-Y432 PolarHBondContact O-N 2.91Å; Q429-I433 HydrophobicContact CB-CD1 4.42Å; Q429-I433 WeakPolarHBondContact O-CB 3.26Å; Q429-I433 WeakPolarHBondContact O-CD1 3.35Å; Q429-I433 WeakPolarHBondContact O-CG1 3.42Å; Q429-I433 PolarHBondContact O-N 3.17Å
430T94.9Very high95Very high71 Ų7165 Ų6544%0.43633%0.331SS..Hα-helixtrans-62.6-51.6-178.1-64.50000111.9V425 Y432 I433 V434V425-T430 WeakPolarHBondContact O-CB 3.32Å; V425-T430 PolarHBondContact O-N 3.47Å; V425-T430 PolarHBondContact O-OG1 2.99Å; V425-T430 VanDerWaalsContact O-OG1 3.11Å; T430-Y432 VanDerWaalsContact C-N 3.3Å; T430-Y432 PolarHBondContact O-N 3.34Å; T430-I433 PolarHBondContact O-N 3.42Å; T430-V434 HydrophobicContact CG2-CG2 4.41Å; T430-V434 WeakPolarHBondContact O-CB 3.45Å; T430-V434 VanDerWaalsContact O-CG2 3.26Å; T430-V434 WeakPolarHBondContact O-CG2 3.43Å; T430-V434 PolarHBondContact O-N 3.49Å
431P94.6Very high95.1Very high21 Ų2167.5 Ų67.514%0.13634%0.344CS..Hα-helixtrans-58.2-41.1175.6-26.136.2000112.9L30 I426 V434 Q435L30-P431 HydrophobicContact CD1-CG 4.3Å; L30-P431 HydrophobicContact CD2-CB 4.23Å; L30-P431 HydrophobicContact CD2-CG 3.88Å; I426-P431 VanDerWaalsContact O-CD 3.31Å; I426-P431 WeakPolarHBondContact O-CD 3.2Å; P431-V434 PolarHBondContact O-N 2.86Å; P431-Q435 VanDerWaalsContact O-CB 3.3Å; P431-Q435 WeakPolarHBondContact O-CB 3.44Å; P431-Q435 PolarHBondContact O-N 2.92Å
432Y95.1Very high95Very high142 Ų14265 Ų6556%0.55733%0.334SS*.Hα-helixtrans-66.7-44.6179.6-175.9-106.4000112.9I428 Q429 T430 Q435 I436I428-Y432 WeakPolarHBondContact O-CB 3.42Å; I428-Y432 PolarHBondContact O-N 2.95Å; I428-Y432 VanDerWaalsContact O-N 3.1Å; Q429-Y432 PolarHBondContact O-N 2.91Å; T430-Y432 VanDerWaalsContact C-N 3.3Å; T430-Y432 PolarHBondContact O-N 3.34Å; Y432-Q435 WeakPolarHBondContact O-CB 3.32Å; Y432-Q435 PolarHBondContact O-N 2.93Å; Y432-I436 HydrophobicContact CD1-CD1 3.77Å; Y432-I436 HydrophobicContact CE1-CD1 3.25Å; Y432-I436 HydrophobicContact CE1-CG1 4.29Å; Y432-I436 HydrophobicContact CE2-CD1 4.33Å; Y432-I436 HydrophobicContact CG-CD1 4.5Å; Y432-I436 WeakPolarHBondContact O-CG1 3.49Å; Y432-I436 PolarHBondContact O-N 3.48Å
433I96.4Very high95.1Very high91 Ų9163.1 Ų63.147%0.46733%0.329SS..Hα-helixtrans-62.3-45.8176-70.7165.4000110.3Q429 T430 Q435 I436 I437Q429-I433 HydrophobicContact CB-CD1 4.42Å; Q429-I433 WeakPolarHBondContact O-CB 3.26Å; Q429-I433 WeakPolarHBondContact O-CD1 3.35Å; Q429-I433 WeakPolarHBondContact O-CG1 3.42Å; Q429-I433 PolarHBondContact O-N 3.17Å; T430-I433 PolarHBondContact O-N 3.42Å; I433-Q435 VanDerWaalsContact C-N 3.32Å; I433-Q435 PolarHBondContact O-N 2.66Å; I433-I436 PolarHBondContact O-N 2.91Å; I433-I437 HydrophobicContact CG2-CD1 3.72Å; I433-I437 HydrophobicContact CG2-CG1 4.37Å; I433-I437 VanDerWaalsContact O-CG1 3.31Å; I433-I437 WeakPolarHBondContact O-CG1 3.24Å; I433-I437 PolarHBondContact O-N 3.27Å
434V95.3Very high95.2Very high53 Ų5367.2 Ų67.232%0.32135%0.35SS..Hα-helixtrans-60.1-44.3176.8171.30000110.4L26 T430 P431 I436 I437 L438L26-V434 HydrophobicContact CD1-CG1 3.87Å; L26-V434 HydrophobicContact CD2-CG1 4.14Å; T430-V434 HydrophobicContact CG2-CG2 4.41Å; T430-V434 WeakPolarHBondContact O-CB 3.45Å; T430-V434 VanDerWaalsContact O-CG2 3.26Å; T430-V434 WeakPolarHBondContact O-CG2 3.43Å; T430-V434 PolarHBondContact O-N 3.49Å; P431-V434 PolarHBondContact O-N 2.86Å; V434-I436 PolarHBondContact O-N 2.89Å; V434-I437 PolarHBondContact O-N 2.89Å; V434-L438 HydrophobicContact CG1-CD1 3.79Å; V434-L438 HydrophobicContact CG1-CG 4.32Å; V434-L438 WeakPolarHBondContact O-CB 3.2Å; V434-L438 VanDerWaalsContact O-CG 3.23Å; V434-L438 WeakPolarHBondContact O-CG 3.42Å; V434-L438 PolarHBondContact O-N 3.47Å
435Q95.5Very high95.2Very high90 Ų9066.8 Ų66.842%0.42135%0.349SS..Hα-helixtrans-59.9-46.5176.4-174179.86.200111.9L23 L26 P431 Y432 I433 L438 I439L23-Q435 HydrophobicContact CD2-CG 3.97Å; L26-Q435 HydrophobicContact CD2-CB 4.1Å; P431-Q435 VanDerWaalsContact O-CB 3.3Å; P431-Q435 WeakPolarHBondContact O-CB 3.44Å; P431-Q435 PolarHBondContact O-N 2.92Å; Y432-Q435 WeakPolarHBondContact O-CB 3.32Å; Y432-Q435 PolarHBondContact O-N 2.93Å; I433-Q435 VanDerWaalsContact C-N 3.32Å; I433-Q435 PolarHBondContact O-N 2.66Å; Q435-L438 PolarHBondContact O-N 3.5Å; Q435-I439 HydrophobicContact CG-CD1 3.9Å; Q435-I439 VanDerWaalsContact O-CG1 3.25Å; Q435-I439 WeakPolarHBondContact O-CG1 3.29Å; Q435-I439 PolarHBondContact O-N 3.5Å
436I96.6Very high95.1Very high72 Ų7266.8 Ų66.837%0.36935%0.349SS..Hα-helixtrans-59.9-49.5176.1-72.8173.7000111Y432 I433 V434 L438 I439 C440Y432-I436 HydrophobicContact CD1-CD1 3.77Å; Y432-I436 HydrophobicContact CE1-CD1 3.25Å; Y432-I436 HydrophobicContact CE1-CG1 4.29Å; Y432-I436 HydrophobicContact CE2-CD1 4.33Å; Y432-I436 HydrophobicContact CG-CD1 4.5Å; Y432-I436 WeakPolarHBondContact O-CG1 3.49Å; Y432-I436 PolarHBondContact O-N 3.48Å; I433-I436 PolarHBondContact O-N 2.91Å; V434-I436 PolarHBondContact O-N 2.89Å; I436-L438 VanDerWaalsContact C-N 3.29Å; I436-L438 PolarHBondContact O-N 2.88Å; I436-I439 PolarHBondContact O-N 2.97Å; I436-C440 WeakPolarHBondContact O-CB 3.2Å; I436-C440 PolarHBondContact O-N 2.85Å; I436-C440 PolarHBondContact O-SG 3.42Å; I436-C440 VanDerWaalsContact O-SG 3.33Å
437I96.3Very high95.2Very high92 Ų9266.8 Ų66.847%0.47235%0.349SS..Hα-helixtrans-57.4-46.3-179.5-71169.1000110.1I433 V434 C440 I441I433-I437 HydrophobicContact CG2-CD1 3.72Å; I433-I437 HydrophobicContact CG2-CG1 4.37Å; I433-I437 VanDerWaalsContact O-CG1 3.31Å; I433-I437 WeakPolarHBondContact O-CG1 3.24Å; I433-I437 PolarHBondContact O-N 3.27Å; V434-I437 PolarHBondContact O-N 2.89Å; I437-C440 WeakPolarHBondContact O-CB 3.25Å; I437-C440 PolarHBondContact O-N 2.86Å; I437-I441 HydrophobicContact CG2-CD1 3.84Å; I437-I441 VanDerWaalsContact O-CG1 3.29Å; I437-I441 WeakPolarHBondContact O-CG1 3.31Å; I437-I441 PolarHBondContact O-N 3.42Å
438L95.7Very high95.3Very high20 Ų2066.6 Ų66.611%0.10535%0.351CS..Hα-helixtrans-64.7-40.8179.2-68.9170.8000112.3L23 V434 Q435 I436 I441 V442L23-L438 HydrophobicContact CD1-CB 4.02Å; L23-L438 HydrophobicContact CD2-CB 3.59Å; L23-L438 HydrophobicContact CD2-CD1 3.84Å; L23-L438 HydrophobicContact CD2-CG 4.38Å; L23-L438 HydrophobicContact CG-CB 3.59Å; L23-L438 HydrophobicContact CG-CD1 3.93Å; L23-L438 HydrophobicContact CG-CG 4.37Å; V434-L438 HydrophobicContact CG1-CD1 3.79Å; V434-L438 HydrophobicContact CG1-CG 4.32Å; V434-L438 WeakPolarHBondContact O-CB 3.2Å; V434-L438 VanDerWaalsContact O-CG 3.23Å; V434-L438 WeakPolarHBondContact O-CG 3.42Å; V434-L438 PolarHBondContact O-N 3.47Å; Q435-L438 PolarHBondContact O-N 3.5Å; I436-L438 VanDerWaalsContact C-N 3.29Å; I436-L438 PolarHBondContact O-N 2.88Å; L438-I441 PolarHBondContact O-N 3.44Å; L438-V442 WeakPolarHBondContact O-CG2 3.49Å; L438-V442 PolarHBondContact O-N 2.93Å
439I95.8Very high95.2Very high79 Ų7965 Ų6541%0.40534%0.343SS..Hα-helixtrans-63.1-43.2174.6-69.4167000110.8L23 Q435 I436 I441 V442 T443L23-I439 HydrophobicContact CD1-CG1 4.1Å; L23-I439 HydrophobicContact CD2-CG1 4.29Å; Q435-I439 HydrophobicContact CG-CD1 3.9Å; Q435-I439 VanDerWaalsContact O-CG1 3.25Å; Q435-I439 WeakPolarHBondContact O-CG1 3.29Å; Q435-I439 PolarHBondContact O-N 3.5Å; I436-I439 PolarHBondContact O-N 2.97Å; I439-I441 VanDerWaalsContact C-N 3.33Å; I439-I441 PolarHBondContact O-N 2.7Å; I439-V442 PolarHBondContact O-N 2.88Å; I439-T443 HydrophobicContact CG2-CG2 4.26Å; I439-T443 WeakPolarHBondContact O-CB 3.26Å; I439-T443 VanDerWaalsContact O-CG2 3.31Å; I439-T443 WeakPolarHBondContact O-CG2 3.24Å; I439-T443 PolarHBondContact O-N 3.41Å; I439-T443 PolarHBondContact O-OG1 3.36Å
440C96.4Very high95.2Very high64 Ų6464.6 Ų64.643%0.43235%0.349SS..Hα-helixtrans-60-41.8174.9-72.10000111.6I436 I437 T443 M444I436-C440 WeakPolarHBondContact O-CB 3.2Å; I436-C440 PolarHBondContact O-N 2.85Å; I436-C440 PolarHBondContact O-SG 3.42Å; I436-C440 VanDerWaalsContact O-SG 3.33Å; I437-C440 WeakPolarHBondContact O-CB 3.25Å; I437-C440 PolarHBondContact O-N 2.86Å; C440-T443 VanDerWaalsContact CA-OG1 3.32Å; C440-T443 WeakPolarHBondContact CA-OG1 3.23Å; C440-T443 PolarHBondContact O-OG1 2.93Å; C440-M444 WeakPolarHBondContact O-CB 3.3Å; C440-M444 WeakPolarHBondContact O-CG 3.24Å; C440-M444 PolarHBondContact O-N 3.37Å
441I95.6Very high95.1Very high53 Ų5363.9 Ų63.927%0.27235%0.347SS..Hα-helixtrans-64.9-45.5177.3-67164.4000111L15 S19 I437 L438 I439 M444 A445L15-I441 HydrophobicContact CD1-CG2 3.96Å; L15-I441 HydrophobicContact CD2-CG2 3.89Å; L15-I441 HydrophobicContact CG-CG2 3.64Å; S19-I441 WeakPolarHBondContact OG-CG2 3.26Å; I437-I441 HydrophobicContact CG2-CD1 3.84Å; I437-I441 VanDerWaalsContact O-CG1 3.29Å; I437-I441 WeakPolarHBondContact O-CG1 3.31Å; I437-I441 PolarHBondContact O-N 3.42Å; L438-I441 PolarHBondContact O-N 3.44Å; I439-I441 VanDerWaalsContact C-N 3.33Å; I439-I441 PolarHBondContact O-N 2.7Å; I441-M444 PolarHBondContact O-N 2.88Å; I441-A445 VanDerWaalsContact O-CB 3.23Å; I441-A445 WeakPolarHBondContact O-CB 3.47Å; I441-A445 PolarHBondContact O-N 3.35Å
442V95.2Very high94.9Very high28 Ų2864.3 Ų64.317%0.1735%0.348CS..Hα-helixtrans-63.2-44.2178.71730000111.2L20 L23 L438 I439 A445 T446L20-V442 HydrophobicContact CB-CG2 4.49Å; L23-V442 HydrophobicContact CD1-CG2 4.3Å; L438-V442 WeakPolarHBondContact O-CG2 3.49Å; L438-V442 PolarHBondContact O-N 2.93Å; I439-V442 PolarHBondContact O-N 2.88Å; V442-A445 PolarHBondContact O-N 3.45Å; V442-T446 HydrophobicContact CG1-CG2 4.44Å; V442-T446 WeakPolarHBondContact O-CB 3.47Å; V442-T446 VanDerWaalsContact O-CG2 3.26Å; V442-T446 WeakPolarHBondContact O-CG2 3.33Å; V442-T446 PolarHBondContact O-N 3.35Å; V442-T446 PolarHBondContact O-OG1 3.44Å
443T95.2Very high94.7Very high60 Ų6060 Ų6037%0.36834%0.338SS..Hα-helixtrans-65.7-44.6178.450.90000111.9I439 C440 A445 T446 I447I439-T443 HydrophobicContact CG2-CG2 4.26Å; I439-T443 WeakPolarHBondContact O-CB 3.26Å; I439-T443 VanDerWaalsContact O-CG2 3.31Å; I439-T443 WeakPolarHBondContact O-CG2 3.24Å; I439-T443 PolarHBondContact O-N 3.41Å; I439-T443 PolarHBondContact O-OG1 3.36Å; C440-T443 VanDerWaalsContact CA-OG1 3.32Å; C440-T443 WeakPolarHBondContact CA-OG1 3.23Å; C440-T443 PolarHBondContact O-OG1 2.93Å; T443-A445 PolarHBondContact O-N 2.88Å; T443-T446 WeakPolarHBondContact CA-OG1 3.33Å; T443-T446 PolarHBondContact O-N 3.48Å; T443-T446 PolarHBondContact O-OG1 2.88Å; T443-I447 WeakPolarHBondContact O-CB 3.39Å; T443-I447 WeakPolarHBondContact O-CD1 3.5Å; T443-I447 WeakPolarHBondContact O-CG1 3.26Å; T443-I447 PolarHBondContact O-N 2.97Å
444M95.7Very high94.5Very high129 Ų12961.5 Ų61.564%0.63535%0.347SS*.Hα-helixtrans-65.9-39.4176.8-69.1-58.3-65.700112.4C440 I441 G448C440-M444 WeakPolarHBondContact O-CB 3.3Å; C440-M444 WeakPolarHBondContact O-CG 3.24Å; C440-M444 PolarHBondContact O-N 3.37Å; I441-M444 PolarHBondContact O-N 2.88Å; M444-G448 PolarHBondContact O-N 3.47Å
445A94.5Very high94.2Very high2 Ų262 Ų622%0.01735%0.35CS..Hα-helixtrans-66.7-41.817700000112L12 A16 I441 V442 T443 G448 I449L12-A445 HydrophobicContact CD2-CB 4.4Å; A16-A445 HydrophobicContact CB-CB 3.85Å; I441-A445 VanDerWaalsContact O-CB 3.23Å; I441-A445 WeakPolarHBondContact O-CB 3.47Å; I441-A445 PolarHBondContact O-N 3.35Å; V442-A445 PolarHBondContact O-N 3.45Å; T443-A445 PolarHBondContact O-N 2.88Å; A445-G448 PolarHBondContact O-N 3.29Å; A445-I449 WeakPolarHBondContact O-CD1 3.28Å; A445-I449 VanDerWaalsContact O-CG1 3.24Å; A445-I449 WeakPolarHBondContact O-CG1 3.3Å; A445-I449 PolarHBondContact O-N 2.94Å
446T93.6Very high93.9Very high60 Ų6061.9 Ų61.937%0.36835%0.346SS..Hα-helixtrans-66.8-42.3176.849.70000112.3V442 T443 G448 I449 C450V442-T446 HydrophobicContact CG1-CG2 4.44Å; V442-T446 WeakPolarHBondContact O-CB 3.47Å; V442-T446 VanDerWaalsContact O-CG2 3.26Å; V442-T446 WeakPolarHBondContact O-CG2 3.33Å; V442-T446 PolarHBondContact O-N 3.35Å; V442-T446 PolarHBondContact O-OG1 3.44Å; T443-T446 WeakPolarHBondContact CA-OG1 3.33Å; T443-T446 PolarHBondContact O-N 3.48Å; T443-T446 PolarHBondContact O-OG1 2.88Å; T446-G448 VanDerWaalsContact C-N 3.32Å; T446-G448 PolarHBondContact O-N 3.37Å; T446-I449 PolarHBondContact O-N 2.91Å; T446-C450 WeakPolarHBondContact O-CB 3.48Å; T446-C450 PolarHBondContact O-N 2.99Å; T446-C450 PolarHBondContact O-SG 3.45Å
447I95.6Very high93.5Very high103 Ų10364.7 Ų64.753%0.52836%0.356SS..Hα-helixtrans-61.6-41.8172.5-67.3165.6000110.7T443 C450 S451T443-I447 WeakPolarHBondContact O-CB 3.39Å; T443-I447 WeakPolarHBondContact O-CD1 3.5Å; T443-I447 WeakPolarHBondContact O-CG1 3.26Å; T443-I447 PolarHBondContact O-N 2.97Å; I447-C450 PolarHBondContact O-N 3.31Å; I447-S451 WeakPolarHBondContact O-CB 3.32Å; I447-S451 PolarHBondContact O-N 2.93Å; I447-S451 PolarHBondContact O-OG 3.31Å
448G94.2Very high93.1Very high15 Ų1568 Ų6816%0.15536%0.364CS..Hα-helixtrans-61.2-44.7175.600000112.8M444 A445 T446 S451 I452M444-G448 PolarHBondContact O-N 3.47Å; A445-G448 PolarHBondContact O-N 3.29Å; T446-G448 VanDerWaalsContact C-N 3.32Å; T446-G448 PolarHBondContact O-N 3.37Å; G448-S451 PolarHBondContact O-N 2.91Å; G448-S451 PolarHBondContact O-OG 3.47Å; G448-I452 WeakPolarHBondContact O-CB 3.47Å; G448-I452 VanDerWaalsContact O-CG1 3.26Å; G448-I452 WeakPolarHBondContact O-CG1 3.28Å; G448-I452 PolarHBondContact O-N 3.38Å
449I93.3Very high92.7Very high35 Ų3570.1 Ų70.118%0.17937%0.373CS..Hα-helixtrans-64.2-44175.9-67161.9000110.6L12 A445 T446 S453L12-I449 HydrophobicContact CB-CD1 4.01Å; L12-I449 HydrophobicContact CB-CG1 3.68Å; L12-I449 HydrophobicContact CD1-CG1 4.2Å; A445-I449 WeakPolarHBondContact O-CD1 3.28Å; A445-I449 VanDerWaalsContact O-CG1 3.24Å; A445-I449 WeakPolarHBondContact O-CG1 3.3Å; A445-I449 PolarHBondContact O-N 2.94Å; T446-I449 PolarHBondContact O-N 2.91Å; I449-S453 VanDerWaalsContact O-CB 3.26Å; I449-S453 WeakPolarHBondContact O-CB 3.33Å; I449-S453 PolarHBondContact O-N 3.31Å; I449-S453 PolarHBondContact O-OG 3.39Å
450C93.3Very high92Very high76 Ų7671.7 Ų71.751%0.51438%0.378SS..Hα-helixtrans-62.2-45.2177.9-68.20000111.5T446 I447 S453 L454T446-C450 WeakPolarHBondContact O-CB 3.48Å; T446-C450 PolarHBondContact O-N 2.99Å; T446-C450 PolarHBondContact O-SG 3.45Å; I447-C450 PolarHBondContact O-N 3.31Å; C450-S453 PolarHBondContact O-N 3.46Å; C450-L454 WeakPolarHBondContact O-CB 3.5Å; C450-L454 VanDerWaalsContact O-CG 3.24Å; C450-L454 WeakPolarHBondContact O-CG 3.31Å; C450-L454 PolarHBondContact O-N 3Å
451S92.9Very high91.3Very high57 Ų5776.4 Ų76.440%0.39939%0.387SS..Hα-helixtrans-66.4-43.2179.864.70000112.3I447 G448 S453 L454 V455I447-S451 WeakPolarHBondContact O-CB 3.32Å; I447-S451 PolarHBondContact O-N 2.93Å; I447-S451 PolarHBondContact O-OG 3.31Å; G448-S451 PolarHBondContact O-N 2.91Å; G448-S451 PolarHBondContact O-OG 3.47Å; S451-S453 VanDerWaalsContact C-N 3.34Å; S451-S453 PolarHBondContact O-N 3.43Å; S451-L454 PolarHBondContact O-N 3.49Å; S451-V455 VanDerWaalsContact O-CG2 3.32Å; S451-V455 WeakPolarHBondContact O-CG2 3.35Å; S451-V455 PolarHBondContact O-N 3.35Å
452I91.6Very high90.5Very high29 Ų2980.6 Ų80.615%0.14940%0.399CS..Hα-helixtrans-62.9-42.5174.9-67166.1000110.9Y5 I9 L12 G448 V455 Y456Y5-I452 HydrophobicContact CD1-CG2 3.65Å; Y5-I452 HydrophobicContact CG-CG2 4.3Å; I9-I452 HydrophobicContact CD1-CG2 3.84Å; I9-I452 HydrophobicContact CG1-CB 4.32Å; I9-I452 HydrophobicContact CG1-CG2 3.73Å; L12-I452 HydrophobicContact CD1-CD1 3.83Å; G448-I452 WeakPolarHBondContact O-CB 3.47Å; G448-I452 VanDerWaalsContact O-CG1 3.26Å; G448-I452 WeakPolarHBondContact O-CG1 3.28Å; G448-I452 PolarHBondContact O-N 3.38Å; I452-V455 PolarHBondContact O-N 3.46Å; I452-Y456 VanDerWaalsContact O-CB 3.31Å; I452-Y456 WeakPolarHBondContact O-CB 3.43Å; I452-Y456 PolarHBondContact O-N 3.45Å
453S89.6Confident89.3Confident52 Ų5282.6 Ų82.636%0.36442%0.415SS..Hα-helixtrans-65-39.6178.7-57.60000111.8I449 C450 S451 Y456 F457I449-S453 VanDerWaalsContact O-CB 3.26Å; I449-S453 WeakPolarHBondContact O-CB 3.33Å; I449-S453 PolarHBondContact O-N 3.31Å; I449-S453 PolarHBondContact O-OG 3.39Å; C450-S453 PolarHBondContact O-N 3.46Å; S451-S453 VanDerWaalsContact C-N 3.34Å; S451-S453 PolarHBondContact O-N 3.43Å; S453-Y456 PolarHBondContact O-N 2.95Å; S453-F457 WeakPolarHBondContact O-CB 3.47Å; S453-F457 PolarHBondContact O-N 3.47Å
454L91.8Very high87.8Confident122 Ų12282 Ų8264%0.63941%0.413SS*.Hα-helixtrans-64.5-45.2174.1-75.9168.3000112C450 S451 Y456 F457 Y458C450-L454 WeakPolarHBondContact O-CB 3.5Å; C450-L454 VanDerWaalsContact O-CG 3.24Å; C450-L454 WeakPolarHBondContact O-CG 3.31Å; C450-L454 PolarHBondContact O-N 3Å; S451-L454 PolarHBondContact O-N 3.49Å; L454-Y456 VanDerWaalsContact C-N 3.34Å; L454-F457 PolarHBondContact O-N 3.05Å; L454-Y458 WeakPolarHBondContact O-CB 3.42Å; L454-Y458 PolarHBondContact O-N 3.36Å
455V90.5Very high86.2Confident64 Ų6480.7 Ų80.739%0.38841%0.409SS..Hα-helixtrans-62.7-43.5176.4170.60000110.6Y5 S451 I452 Y458 Q459Y5-V455 HydrophobicContact CE1-CG1 4.31Å; S451-V455 VanDerWaalsContact O-CG2 3.32Å; S451-V455 WeakPolarHBondContact O-CG2 3.35Å; S451-V455 PolarHBondContact O-N 3.35Å; I452-V455 PolarHBondContact O-N 3.46Å; V455-Y458 PolarHBondContact O-N 2.99Å; V455-Q459 HydrophobicContact CG1-CG 4.39Å; V455-Q459 WeakPolarHBondContact O-CB 3.49Å; V455-Q459 WeakPolarHBondContact O-CG 3.34Å; V455-Q459 PolarHBondContact O-N 2.9Å
456Y88.2Confident84.4Confident87 Ų8787 Ų8734%0.34143%0.433SS..Hα-helixtrans-61.5-46.8176.3176.8-106000111.7F2 I452 S453 L454 Y458 Q459 H460F2-Y456 HydrophobicContact CD2-CD2 4.27Å; F2-Y456 AromaticContact CD2-CE2 3.45Å; F2-Y456 HydrophobicContact CD2-CE2 3.45Å; F2-Y456 VanDerWaalsContact CD2-CE2 3.45Å; F2-Y456 AromaticContact CD2-CZ 3.73Å; F2-Y456 HydrophobicContact CE2-CE1 4.29Å; F2-Y456 AromaticContact CE2-CE2 3.78Å; F2-Y456 HydrophobicContact CE2-CE2 3.78Å; F2-Y456 AromaticContact CE2-CZ 3.6Å; F2-Y456 WeakPolarHBondContact CE2-OH 3.22Å; I452-Y456 VanDerWaalsContact O-CB 3.31Å; I452-Y456 WeakPolarHBondContact O-CB 3.43Å; I452-Y456 PolarHBondContact O-N 3.45Å; S453-Y456 PolarHBondContact O-N 2.95Å; L454-Y456 VanDerWaalsContact C-N 3.34Å; Y456-Y458 VanDerWaalsContact C-N 3.34Å; Y456-Y458 PolarHBondContact O-N 2.94Å; Y456-Q459 PolarHBondContact O-N 3.24Å; Y456-H460 VanDerWaalsContact O-CB 3.3Å; Y456-H460 WeakPolarHBondContact O-CB 3.45Å; Y456-H460 PolarHBondContact O-N 3.37Å
457F88.6Confident82.7Confident131 Ų13187.6 Ų87.658%0.57544%0.436SS*.Hα-helixtrans-61-42.7176.4-176.7-99000111.9S453 L454 H460 R461S453-F457 WeakPolarHBondContact O-CB 3.47Å; S453-F457 PolarHBondContact O-N 3.47Å; L454-F457 PolarHBondContact O-N 3.05Å; F457-H460 PolarHBondContact O-N 2.89Å; F457-R461 WeakPolarHBondContact O-CB 3.46Å; F457-R461 PolarHBondContact O-N 3.07Å
458Y88.5Confident80.9Confident163 Ų16388.1 Ų88.164%0.63944%0.437SS*.Hα-helixtrans-64.5-44.9177.4-172.1-96.8000112.3L454 V455 Y456 R462L454-Y458 WeakPolarHBondContact O-CB 3.42Å; L454-Y458 PolarHBondContact O-N 3.36Å; V455-Y458 PolarHBondContact O-N 2.99Å; Y456-Y458 VanDerWaalsContact C-N 3.34Å; Y456-Y458 PolarHBondContact O-N 2.94Å; Y458-R462 WeakPolarHBondContact O-CB 3.43Å; Y458-R462 PolarHBondContact O-N 3.06Å
459Q86Confident79.1Confident64 Ų6493.4 Ų93.430%0.29946%0.457SS..Hα-helixtrans-66.3-40.2176.8-74.3178.7-2.400112.2Y5 V455 Y456 R462 S463Y5-Q459 PolarHBondContact OH-NE2 2.86Å; Y5-Q459 PolarHBondContact OH-OE1 2.89Å; V455-Q459 HydrophobicContact CG1-CG 4.39Å; V455-Q459 WeakPolarHBondContact O-CB 3.49Å; V455-Q459 WeakPolarHBondContact O-CG 3.34Å; V455-Q459 PolarHBondContact O-N 2.9Å; Y456-Q459 PolarHBondContact O-N 3.24Å; Q459-R462 PolarHBondContact O-N 3.19Å; Q459-S463 WeakPolarHBondContact O-CB 3.32Å; Q459-S463 PolarHBondContact O-N 3.47Å
460H81.7Confident77.4Confident112 Ų11296 Ų9652%0.51947%0.47SS..Hα-helixtrans-66.5-43.3178.1-170.258.3000111.5Y456 F457 R462 S463 S464Y456-H460 VanDerWaalsContact O-CB 3.3Å; Y456-H460 WeakPolarHBondContact O-CB 3.45Å; Y456-H460 PolarHBondContact O-N 3.37Å; F457-H460 PolarHBondContact O-N 2.89Å; H460-R462 VanDerWaalsContact C-N 3.33Å; H460-R462 PolarHBondContact O-N 3.28Å; H460-S463 PolarHBondContact O-N 2.86Å; H460-S464 PolarHBondContact O-N 3.29Å
461R82.1Confident75.7Confident162 Ų16296.7 Ų96.761%0.61147%0.469SS*.Hα-helixtrans-61.8-40.4174.1-168.2176.2-176.9175.31.2111.9F457 S464 N465F457-R461 WeakPolarHBondContact O-CB 3.46Å; F457-R461 PolarHBondContact O-N 3.07Å; R461-S464 PolarHBondContact O-N 3.48Å; R461-N465 VanDerWaalsContact O-CG 3.31Å; R461-N465 PolarHBondContact O-N 3.43Å; R461-N465 PolarHBondContact O-OD1 3.19Å
462R78.3Confident74Confident141 Ų14198.5 Ų98.553%0.53247%0.474SS..Hα-helixtrans-63.9-43.7174.6-172174179.2-177.7-5.9111.6Y458 Q459 H460 N465 Y466Y458-R462 WeakPolarHBondContact O-CB 3.43Å; Y458-R462 PolarHBondContact O-N 3.06Å; Q459-R462 PolarHBondContact O-N 3.19Å; H460-R462 VanDerWaalsContact C-N 3.33Å; H460-R462 PolarHBondContact O-N 3.28Å; R462-N465 PolarHBondContact O-N 3.39Å; R462-Y466 HydrophobicContact CG-CD2 4.02Å; R462-Y466 HydrophobicContact CG-CE2 3.79Å; R462-Y466 PolarHBondContact NH2-OH 3.17Å; R462-Y466 VanDerWaalsContact O-CD2 3.23Å; R462-Y466 WeakPolarHBondContact O-CD2 3.49Å; R462-Y466 PolarHBondContact O-N 3.44Å; R462-Y466 VanDerWaalsContact O-N 3.09Å
463S70.3Confident72.3Confident70 Ų70102 Ų10249%0.4949%0.492SS..Hα-helixtrans-63.4-41.4177.1-168.70000112.3Q459 H460 N465 Y466 T467Q459-S463 WeakPolarHBondContact O-CB 3.32Å; Q459-S463 PolarHBondContact O-N 3.47Å; H460-S463 PolarHBondContact O-N 2.86Å; S463-N465 VanDerWaalsContact C-N 3.34Å; S463-Y466 PolarHBondContact O-N 3.25Å; S463-T467 PolarHBondContact O-N 3.02Å; S463-T467 PolarHBondContact O-OG1 3Å; S463-T467 VanDerWaalsContact O-OG1 3.05Å
464S64.2Low70.7Confident48 Ų48106 Ų10634%0.33650%0.504SS..Hα-helixtrans-64.7-37.3176.7175.40000112.3H460 R461 Y466 T467 H468H460-S464 PolarHBondContact O-N 3.29Å; R461-S464 PolarHBondContact O-N 3.48Å; S464-Y466 VanDerWaalsContact C-N 3.33Å; S464-T467 WeakPolarHBondContact CA-OG1 3.24Å; S464-T467 PolarHBondContact O-N 3.06Å; S464-T467 PolarHBondContact O-OG1 3.45Å; S464-H468 PolarHBondContact O-CD2 3.2Å; S464-H468 PolarHBondContact O-N 3.07Å
465N60.9Low69.1Low101 Ų101108.2 Ų108.254%0.5451%0.512SS..Hα-helixtrans-66.6-32.9173-71.6-4.9000112.4R461 R462 S463 H469R461-N465 VanDerWaalsContact O-CG 3.31Å; R461-N465 PolarHBondContact O-N 3.43Å; R461-N465 PolarHBondContact O-OD1 3.19Å; R462-N465 PolarHBondContact O-N 3.39Å; S463-N465 VanDerWaalsContact C-N 3.34Å; N465-H469 WeakPolarHBondContact O-CB 3.36Å; N465-H469 PolarHBondContact O-N 3.05Å; N465-H469 VanDerWaalsContact O-N 3.17Å
466Y57.1Low67.4Low136 Ų136113.2 Ų113.253%0.53353%0.531SS..Hα-helixtrans-72.3-41.4174.5-86-74.5000112.5R462 S463 S464 H469 I470R462-Y466 HydrophobicContact CG-CD2 4.02Å; R462-Y466 HydrophobicContact CG-CE2 3.79Å; R462-Y466 PolarHBondContact NH2-OH 3.17Å; R462-Y466 VanDerWaalsContact O-CD2 3.23Å; R462-Y466 WeakPolarHBondContact O-CD2 3.49Å; R462-Y466 PolarHBondContact O-N 3.44Å; R462-Y466 VanDerWaalsContact O-N 3.09Å; S463-Y466 PolarHBondContact O-N 3.25Å; S464-Y466 VanDerWaalsContact C-N 3.33Å; Y466-H469 PolarHBondContact O-N 3.18Å; Y466-I470 WeakPolarHBondContact O-CG1 3.35Å; Y466-I470 PolarHBondContact O-N 3.2Å
467T58.9Low65.3Low71 Ų71116.8 Ų116.844%0.43655%0.551SS.*Hα-helixtrans-65.1-42.7175.527.40000111.7S463 S464 H469 I470 D471S463-T467 PolarHBondContact O-N 3.02Å; S463-T467 PolarHBondContact O-OG1 3Å; S463-T467 VanDerWaalsContact O-OG1 3.05Å; S464-T467 WeakPolarHBondContact CA-OG1 3.24Å; S464-T467 PolarHBondContact O-N 3.06Å; S464-T467 PolarHBondContact O-OG1 3.45Å; T467-H469 PolarHBondContact O-N 3.09Å; T467-I470 PolarHBondContact O-N 2.86Å; T467-D471 PolarHBondContact O-N 3.48Å
468H57.6Low63.3Low115 Ų115116.2 Ų116.253%0.53256%0.56SS.*Hα-helixtrans-59.9-32.6172.6-90.7-62.6000113.1S464 N472S464-H468 PolarHBondContact O-CD2 3.2Å; S464-H468 PolarHBondContact O-N 3.07Å; H468-N472 VanDerWaalsContact O-CB 3.32Å; H468-N472 WeakPolarHBondContact O-CB 3.41Å; H468-N472 PolarHBondContact O-N 3.3Å; H468-N472 PolarHBondContact O-ND2 2.99Å; H468-N472 PolarHBondContact O-OD1 3.44Å
469H55.4Low60.9Low125 Ų125116.2 Ų116.258%0.57957%0.571SS**Hα-helixtrans-72.9-30.1176-157.8-41.3000112.6N465 Y466 T467 I473N465-H469 WeakPolarHBondContact O-CB 3.36Å; N465-H469 PolarHBondContact O-N 3.05Å; N465-H469 VanDerWaalsContact O-N 3.17Å; Y466-H469 PolarHBondContact O-N 3.18Å; T467-H469 PolarHBondContact O-N 3.09Å; H469-I473 VanDerWaalsContact O-CD1 3.24Å; H469-I473 WeakPolarHBondContact O-CD1 3.23Å; H469-I473 WeakPolarHBondContact O-CG1 3.19Å
470I57.7Low58.8Low90 Ų90120.5 Ų120.546%0.46260%0.596SS.*Hα-helixtrans-81.1-41.8177.7-66.9172.8000111Y466 T467 N472 I473 H474Y466-I470 WeakPolarHBondContact O-CG1 3.35Å; Y466-I470 PolarHBondContact O-N 3.2Å; T467-I470 PolarHBondContact O-N 2.86Å; I470-N472 VanDerWaalsContact C-N 3.32Å; I470-N472 PolarHBondContact O-N 3.32Å; I470-I473 PolarHBondContact O-N 3.1Å; I470-I473 VanDerWaalsContact O-N 3.08Å; I470-H474 PolarHBondContact O-N 3.14Å; I470-H474 VanDerWaalsContact O-N 3.14Å
471D58Low56.7Low90 Ų90121.3 Ų121.348%0.48161%0.609SS.*Hα-helixtrans-64.3-38.5178.4-66.2-25.7000110.9T467 I473 H474 E475T467-D471 PolarHBondContact O-N 3.48Å; D471-I473 VanDerWaalsContact C-N 3.28Å; D471-I473 PolarHBondContact O-N 3.18Å; D471-H474 PolarHBondContact O-N 3.36Å; D471-E475 PolarHBondContact O-N 3.08Å; D471-E475 VanDerWaalsContact O-N 3.1Å
472N57Low54.7Low96 Ų96119.9 Ų119.951%0.51362%0.619SS.*Hα-helixtrans-66-27.1173.3-72.5-1.9000113.4H468 I470H468-N472 VanDerWaalsContact O-CB 3.32Å; H468-N472 WeakPolarHBondContact O-CB 3.41Å; H468-N472 PolarHBondContact O-N 3.3Å; H468-N472 PolarHBondContact O-ND2 2.99Å; H468-N472 PolarHBondContact O-OD1 3.44Å; I470-N472 VanDerWaalsContact C-N 3.32Å; I470-N472 PolarHBondContact O-N 3.32Å
473I56.7Low52.8Low101 Ų101123.4 Ų123.452%0.51863%0.633SS.*Hα-helixtrans-75.3-31.9175-69.7165.2000110.5H469 I470 D471H469-I473 VanDerWaalsContact O-CD1 3.24Å; H469-I473 WeakPolarHBondContact O-CD1 3.23Å; H469-I473 WeakPolarHBondContact O-CG1 3.19Å; I470-I473 PolarHBondContact O-N 3.1Å; I470-I473 VanDerWaalsContact O-N 3.08Å; D471-I473 VanDerWaalsContact C-N 3.28Å; D471-I473 PolarHBondContact O-N 3.18Å
474H55.7Low51.4Low136 Ų136131 Ų13163%0.6365%0.653SS**Hα-helixtrans-84.8-18.9-179.4-81.1-55.7000114.7I470 D471I470-H474 PolarHBondContact O-N 3.14Å; I470-H474 VanDerWaalsContact O-N 3.14Å; D471-H474 PolarHBondContact O-N 3.36Å
475E57.5Low50.1Low169 Ų169135.2 Ų135.279%0.7967%0.671SS**SBendtrans-83.7-11.6174.8-78.1-174.7160.900114.2D471D471-E475 PolarHBondContact O-N 3.08Å; D471-E475 VanDerWaalsContact O-N 3.1Å
476E54.7Low49.1Very low169 Ų169138.5 Ų138.579%0.7969%0.687SS**SBendtrans-93.32.4-178.9-79.5-173.3166.600115.3P478E476-P478 VanDerWaalsContact O-CD 3.28Å; E476-P478 WeakPolarHBondContact O-CD 3.28Å
477E44.6Very low48.3Very low163 Ų163140.2 Ų140.276%0.76270%0.7SS**  trans-101.3105.9174.9-83.1-173.6158.600112.6
478P46.2Very low47.4Very low118 Ų118142.5 Ų142.577%0.76671%0.71SS**  trans-80.5133.2170.931.1-30.1000111E476 D480E476-P478 VanDerWaalsContact O-CD 3.28Å; E476-P478 WeakPolarHBondContact O-CD 3.28Å; P478-D480 PolarHBondContact O-N 3.24Å
479N39.1Very low46.7Very low164 Ų164144.9 Ų144.988%0.87772%0.721SS**  trans-38.6117.9168.7-76.9-36.3000113
480D41.6Very low45.9Very low153 Ų153143.4 Ų143.482%0.81873%0.725SS**  trans-138.9117.3148.8-136.8-12000110.5P478P478-D480 PolarHBondContact O-N 3.24Å
481T37.6Very low45.2Very low129 Ų129147 Ų14779%0.79174%0.74SS**  trans-102.1118.4178.3-40000106.8
482T39.4Very low44.4Very low133 Ų133151.9 Ų151.982%0.81676%0.759SS**  trans-159.1119.4154.73.90000112.4
483Y38.1Very low43.6Very low214 Ų214154.7 Ų154.784%0.83977%0.769SS**  trans-47.5139161.5-112.7-107.8000112.5
484Y40.9Very low43Very low231 Ų231158.2 Ų158.291%0.90679%0.788SS**  trans-171.7127.4136.2-103.5-73.4000111.6
485N36.5Very low42.2Very low135 Ų135157 Ų15772%0.72279%0.79SS**  trans-76.2154.8169.9-72.8-32.1000111.4
486I41Very low41.6Very low170 Ų170156.1 Ų156.187%0.87279%0.79SS**  172136.5124.7-82.9153.2000110.5
487E39.5Very low41Very low173 Ų173154.4 Ų154.481%0.80879%0.786SS**  trans-75.1164.2-178.7-62.4163.7127.300115.1
488N40.6Very low41Very low118 Ų118152.4 Ų152.463%0.63178%0.78SS**  133.7122.5127.4-96.918.4000118.2
489E41.8Very low40.9Very low165 Ų165152.7 Ų152.777%0.77178%0.775SS**  trans65.6142.7132.2-72.5171.8156.800120
490S40.2Very low41.1Very low95 Ų95151.8 Ų151.866%0.66477%0.766SS**  cis-170.1155.68.938.80000112.3
491E41.7Very low41.2Very low165 Ų165151.8 Ų151.877%0.77176%0.761SS**  trans56.6124.9139.1-67.8178153.400125.3
492H42.1Very low41.6Very low193 Ų193152.1 Ų152.189%0.89475%0.754SS**  -161128.6109.5-117.2-57.5000113.4
493Q39.3Very low42Very low154 Ų154153.9 Ų153.972%0.7275%0.75SS**  trans-78.9164.4177.8-72.2166-51.600114.7
494I45.1Very low42.6Very low176 Ų176150.1 Ų150.190%0.90375%0.745SS**  -170.6154.3124.2-85.8149.1000110
495T39.3Very low43.1Very low110 Ų110144 Ų14468%0.67573%0.733SS**  trans-126.1173-140.1-22.10000113.6
496L44.6Very low43.9Very low151 Ų151145.3 Ų145.379%0.79174%0.738SS**  trans114.4108.8152.7-65151000116.1
497D42.7Very low44.5Very low133 Ų133145.6 Ų145.671%0.71177%0.766SS**  76.9140.981.9-107.617.9000112.9
498N43.5Very low44.7Very low120 Ų120144.3 Ų144.364%0.64276%0.764SS**  cis-169.9168.20.5-133.4-24.5000108.5
499D43.9Very low44.9Very low124 Ų124145.6 Ų145.666%0.66377%0.771SS**  trans97115.5148.2-73.5-35.4000126.2
500Q42.8Very low45.1Very low146 Ų146144.6 Ų144.668%0.68277%0.771SS**  trans83.5105.9131.4-70.3-175.9-8.500121.5
501Q44.1Very low45.4Very low153 Ų153147.5 Ų147.572%0.71578%0.777SS**  98.4144.291.2-88.6-174.9-32.100111.3
502Q45.4Very low45.6Very low136 Ų136146.4 Ų146.464%0.63678%0.778SS**  cis-179.4161-8.2170.9165.9-1.400107.1
503K48.7Very low45.8Very low170 Ų170143.3 Ų143.374%0.73977%0.77SS**  trans84.7135.8160.8-94161.7179.1-1700118.3
504D50Low46.3Very low135 Ų135142.5 Ų142.572%0.72277%0.774SS**  cis-174.8166.7-20.5-107.6-14.4000105.9
505P52.2Low46.4Very low102 Ų102139.9 Ų139.966%0.66276%0.764SS**  trans-121.1-172.5-155.834-14.4000114.9
506I52.6Low47Very low163 Ų163142.4 Ų142.484%0.83677%0.771SS**  trans90.799.3155.1-50.1155.4000117.3
507A53.4Low47.2Very low176 Ų176141.6 Ų141.6100%1.45577%0.769SS**  -175.80125.900000109.4

Retrieved 507 of 507 residues in 176.5 ms (Link to these results)

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