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HTH-type transcriptional regulator SarV

Part of the pathway by which MgrA and SarA control autolysis. Involved in regulation of virulence and autolysis genes such as hla, splA, aur, scp, lrgB, scdA and atl. May also act as an activator for the expression of regulatory genes agr, lytSR and ArlRS.

AlphaFold DB , UniProt , Accession Q2FVY9, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene sarV, Length 116 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
1M46.2Very low83.9Confident234 Ų234117.1 Ų117.1100%1.15359%0.591SS**  01190-85.9169.1179.400107.8N3M1-N3 PolarHBondContact O-N 3.01Å
2S55.5Low84.8Confident111 Ų111115.2 Ų115.278%0.77658%0.579SS**  trans-54.5112.8176133.60000108K4S2-K4 PolarHBondContact O-N 3.4Å
3N78.9Confident85.5Confident76 Ų76114.2 Ų114.241%0.40656%0.564SS.*  trans-8260.5-160-162.4-11.6000111M1 V5 Q6 R7M1-N3 PolarHBondContact O-N 3.01Å; N3-V5 PolarHBondContact O-N 3.04Å; N3-V5 VanDerWaalsContact O-N 3.16Å; N3-Q6 HydrophobicContact CB-CB 4.04Å; N3-Q6 WeakPolarHBondContact ND2-CB 3.26Å; N3-Q6 VanDerWaalsContact ND2-CD 3.3Å; N3-Q6 PolarHBondContact ND2-OE1 3.31Å; N3-Q6 PolarHBondContact O-N 3.16Å; N3-Q6 WeakPolarHBondContact OD1-CB 3.4Å; N3-Q6 PolarHBondContact OD1-N 3.11Å; N3-R7 PolarHBondContact O-N 2.88Å
4K91.2Very high86.1Confident137 Ų137113.4 Ų113.460%0.59656%0.558SS**Hα-helixtrans-55.3-36.2-175.7-164.1175.5-177178.80110.9S2 F8S2-K4 PolarHBondContact O-N 3.4Å; K4-F8 HydrophobicContact CD-CE2 4.15Å; K4-F8 HydrophobicContact CG-CD2 4.21Å; K4-F8 HydrophobicContact CG-CE2 3.68Å; K4-F8 HydrophobicContact CG-CZ 4.16Å; K4-F8 WeakPolarHBondContact O-CD2 2.79Å; K4-F8 WeakPolarHBondContact O-CG 3.26Å; K4-F8 PolarHBondContact O-N 3.31Å
5V92.1Very high86.7Confident100 Ų100109.9 Ų109.961%0.60654%0.542SS*.Hα-helixtrans-61.2-53173.4176.10000111.1N3 R7 F8 I9N3-V5 PolarHBondContact O-N 3.04Å; N3-V5 VanDerWaalsContact O-N 3.16Å; V5-R7 VanDerWaalsContact C-N 3.32Å; V5-R7 PolarHBondContact O-N 3.35Å; V5-F8 PolarHBondContact O-N 2.95Å; V5-F8 VanDerWaalsContact O-N 3.1Å; V5-I9 HydrophobicContact CG1-CD1 3.85Å; V5-I9 WeakPolarHBondContact O-CG1 3.39Å; V5-I9 PolarHBondContact O-N 3.37Å
6Q92.7Very high87.2Confident93 Ų93106.5 Ų106.544%0.43553%0.532SS..Hα-helixtrans-65.7-34.6-179.9-168.4157.1-24.200112.7N3 F8 I9 E10N3-Q6 HydrophobicContact CB-CB 4.04Å; N3-Q6 WeakPolarHBondContact ND2-CB 3.26Å; N3-Q6 VanDerWaalsContact ND2-CD 3.3Å; N3-Q6 PolarHBondContact ND2-OE1 3.31Å; N3-Q6 PolarHBondContact O-N 3.16Å; N3-Q6 WeakPolarHBondContact OD1-CB 3.4Å; N3-Q6 PolarHBondContact OD1-N 3.11Å; Q6-F8 VanDerWaalsContact C-N 3.31Å; Q6-F8 PolarHBondContact O-N 3.18Å; Q6-I9 PolarHBondContact O-N 3.06Å; Q6-I9 VanDerWaalsContact O-N 3.16Å; Q6-E10 HydrophobicContact CG-CG 4.47Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.46Å; Q6-E10 WeakPolarHBondContact O-CB 3.43Å; Q6-E10 WeakPolarHBondContact O-CG 3.18Å; Q6-E10 PolarHBondContact O-N 3.26Å
7R92.8Very high87.6Confident175 Ų175103.6 Ų103.666%0.6652%0.517SS*.Hα-helixtrans-60.1-40.1171.2-72.4-177.963.8-172-0.9112.4N3 V5 A11N3-R7 PolarHBondContact O-N 2.88Å; V5-R7 VanDerWaalsContact C-N 3.32Å; V5-R7 PolarHBondContact O-N 3.35Å; R7-A11 VanDerWaalsContact O-CB 3.3Å; R7-A11 WeakPolarHBondContact O-CB 3.38Å; R7-A11 PolarHBondContact O-N 2.94Å
8F94.4Very high88.1Confident136 Ų13699.7 Ų99.760%0.59650%0.498SS*.Hα-helixtrans-69.9-35.4174.8-70.6-44.4000112.4K4 V5 Q6 E12K4-F8 HydrophobicContact CD-CE2 4.15Å; K4-F8 HydrophobicContact CG-CD2 4.21Å; K4-F8 HydrophobicContact CG-CE2 3.68Å; K4-F8 HydrophobicContact CG-CZ 4.16Å; K4-F8 WeakPolarHBondContact O-CD2 2.79Å; K4-F8 WeakPolarHBondContact O-CG 3.26Å; K4-F8 PolarHBondContact O-N 3.31Å; V5-F8 PolarHBondContact O-N 2.95Å; V5-F8 VanDerWaalsContact O-N 3.1Å; Q6-F8 VanDerWaalsContact C-N 3.31Å; Q6-F8 PolarHBondContact O-N 3.18Å; F8-E12 WeakPolarHBondContact O-CB 3.22Å; F8-E12 PolarHBondContact O-N 3.2Å
9I93.4Very high88.5Confident93 Ų9398.4 Ų98.448%0.47749%0.489SS..Hα-helixtrans-66.4-43175.1-67.3168.3000110.9V5 Q6 E12 R13V5-I9 HydrophobicContact CG1-CD1 3.85Å; V5-I9 WeakPolarHBondContact O-CG1 3.39Å; V5-I9 PolarHBondContact O-N 3.37Å; Q6-I9 PolarHBondContact O-N 3.06Å; Q6-I9 VanDerWaalsContact O-N 3.16Å; I9-E12 PolarHBondContact O-N 2.88Å; I9-R13 WeakPolarHBondContact O-CB 3.49Å; I9-R13 PolarHBondContact O-N 2.82Å
10E92.5Very high88.9Confident84 Ų8499.9 Ų99.939%0.39349%0.494SS..Hα-helixtrans-61.9-51.2174.9-74.1164.6-175.800110.2Q6 E12 R13 E14Q6-E10 HydrophobicContact CG-CG 4.47Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.46Å; Q6-E10 WeakPolarHBondContact O-CB 3.43Å; Q6-E10 WeakPolarHBondContact O-CG 3.18Å; Q6-E10 PolarHBondContact O-N 3.26Å; E10-E12 VanDerWaalsContact C-N 3.35Å; E10-E12 PolarHBondContact O-N 3.35Å; E10-R13 WeakPolarHBondContact O-CB 3.4Å; E10-R13 PolarHBondContact O-N 2.98Å; E10-R13 VanDerWaalsContact O-N 3.09Å; E10-E14 WeakPolarHBondContact O-CG 3.31Å; E10-E14 PolarHBondContact O-N 3.48Å
11A92.9Very high89.2Confident49 Ų4997.1 Ų97.141%0.40548%0.478SS..Hα-helixtrans-59.7-40.3177.700000113.2R7 R13 E14 L15R7-A11 VanDerWaalsContact O-CB 3.3Å; R7-A11 WeakPolarHBondContact O-CB 3.38Å; R7-A11 PolarHBondContact O-N 2.94Å; A11-R13 VanDerWaalsContact C-N 3.34Å; A11-E14 PolarHBondContact O-N 2.92Å; A11-L15 VanDerWaalsContact O-CB 3.24Å; A11-L15 WeakPolarHBondContact O-CB 3.47Å; A11-L15 PolarHBondContact O-N 3.27Å
12E94.9Very high91.6Very high94 Ų9486 Ų8644%0.43942%0.423SS..Hα-helixtrans-67.5-35.3176.4-178.954.8-14600111.9F8 I9 E10 S16 K19F8-E12 WeakPolarHBondContact O-CB 3.22Å; F8-E12 PolarHBondContact O-N 3.2Å; I9-E12 PolarHBondContact O-N 2.88Å; E10-E12 VanDerWaalsContact C-N 3.35Å; E10-E12 PolarHBondContact O-N 3.35Å; E12-S16 VanDerWaalsContact O-CB 3.23Å; E12-S16 WeakPolarHBondContact O-CB 3.39Å; E12-S16 PolarHBondContact O-N 3.44Å; E12-S16 PolarHBondContact O-OG 3.46Å; E12-S16 PolarHBondContact OE1-OG 3.17Å; E12-K19 IonicContact OE1-NZ 2.74Å
13R94.2Very high93.5Very high102 Ų10288 Ų8839%0.38542%0.418SS..Hα-helixtrans-64.1-48.9174.5-173.2-173.7-56.6167.44.5110.8I9 E10 A11 L15 S16 Q17I9-R13 WeakPolarHBondContact O-CB 3.49Å; I9-R13 PolarHBondContact O-N 2.82Å; E10-R13 WeakPolarHBondContact O-CB 3.4Å; E10-R13 PolarHBondContact O-N 2.98Å; E10-R13 VanDerWaalsContact O-N 3.09Å; A11-R13 VanDerWaalsContact C-N 3.34Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.2Å; R13-S16 WeakPolarHBondContact O-CB 3.48Å; R13-S16 PolarHBondContact O-N 3.23Å; R13-Q17 WeakPolarHBondContact O-CG 3.45Å; R13-Q17 PolarHBondContact O-N 3.12Å
14E93.3Very high94.3Very high103 Ų10388.2 Ų88.248%0.48142%0.422SS..Hα-helixtrans-58.5-48176.8-67-177.1173.400111E10 A11 S16 Q17 L18 V114E10-E14 WeakPolarHBondContact O-CG 3.31Å; E10-E14 PolarHBondContact O-N 3.48Å; A11-E14 PolarHBondContact O-N 2.92Å; E14-S16 VanDerWaalsContact C-N 3.3Å; E14-S16 PolarHBondContact O-N 3.4Å; E14-Q17 PolarHBondContact O-N 3.16Å; E14-L18 PolarHBondContact O-N 3.2Å; E14-V114 HydrophobicContact CB-CG2 4.45Å; E14-V114 HydrophobicContact CG-CB 4.41Å; E14-V114 HydrophobicContact CG-CG1 3.89Å; E14-V114 HydrophobicContact CG-CG2 3.65Å
15L94.8Very high94.5Very high62 Ų6285.3 Ų85.333%0.32542%0.416SS..Hα-helixtrans-62.2-38.2178.3-175.662.3000112.1A11 R13 L18 K19 I30A11-L15 VanDerWaalsContact O-CB 3.24Å; A11-L15 WeakPolarHBondContact O-CB 3.47Å; A11-L15 PolarHBondContact O-N 3.27Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.2Å; L15-L18 PolarHBondContact O-N 3Å; L15-K19 HydrophobicContact CG-CD 4.24Å; L15-K19 WeakPolarHBondContact O-CB 3.39Å; L15-K19 WeakPolarHBondContact O-CD 3.45Å; L15-K19 WeakPolarHBondContact O-CG 3.38Å; L15-K19 PolarHBondContact O-N 3.38Å; L15-I30 HydrophobicContact CD1-CD1 4.13Å; L15-I30 HydrophobicContact CD1-CG1 4.08Å
16S95.5Very high94.6Very high55 Ų5582.3 Ų82.339%0.38540%0.395SS..Hα-helixtrans-64.9-41.9175.8-72.70000112.3E12 R13 E14 K19 H20E12-S16 VanDerWaalsContact O-CB 3.23Å; E12-S16 WeakPolarHBondContact O-CB 3.39Å; E12-S16 PolarHBondContact O-N 3.44Å; E12-S16 PolarHBondContact O-OG 3.46Å; E12-S16 PolarHBondContact OE1-OG 3.17Å; R13-S16 WeakPolarHBondContact O-CB 3.48Å; R13-S16 PolarHBondContact O-N 3.23Å; E14-S16 VanDerWaalsContact C-N 3.3Å; E14-S16 PolarHBondContact O-N 3.4Å; S16-K19 PolarHBondContact O-N 3.37Å; S16-H20 PolarHBondContact O-N 2.68Å
17Q94.2Very high94.8Very high57 Ų5785.8 Ų85.827%0.26641%0.409SS..Hα-helixtrans-65.3-43.6175.4-69.1-1807.600111.2R13 E14 H20 W21 V114 T115R13-Q17 WeakPolarHBondContact O-CG 3.45Å; R13-Q17 PolarHBondContact O-N 3.12Å; E14-Q17 PolarHBondContact O-N 3.16Å; Q17-H20 PolarHBondContact O-N 3.14Å; Q17-W21 WeakPolarHBondContact O-CB 3.32Å; Q17-W21 PolarHBondContact O-N 3.36Å; Q17-V114 VanDerWaalsContact OE1-CA 3.28Å; Q17-T115 PolarHBondContact NE2-O 3.22Å
18L95.5Very high94.9Very high33 Ų3377.7 Ų77.717%0.17338%0.379CS..Hα-helixtrans-61.9-46.3175.8178.861.1000112.2E14 L15 H20 W21 L22 I30 I109 L112E14-L18 PolarHBondContact O-N 3.2Å; L15-L18 PolarHBondContact O-N 3Å; L18-H20 VanDerWaalsContact C-N 3.26Å; L18-H20 PolarHBondContact O-N 3.29Å; L18-W21 HydrophobicContact CD1-CE3 4.04Å; L18-W21 HydrophobicContact CD1-CZ3 4.43Å; L18-W21 PolarHBondContact O-N 3.02Å; L18-L22 HydrophobicContact CD1-CD1 4.05Å; L18-L22 HydrophobicContact CD1-CG 3.97Å; L18-L22 HydrophobicContact CG-CD1 3.93Å; L18-L22 HydrophobicContact CG-CG 4.32Å; L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 WeakPolarHBondContact O-CG 3.37Å; L18-L22 PolarHBondContact O-N 2.88Å; L18-I30 HydrophobicContact CD2-CD1 3.96Å; L18-I30 HydrophobicContact CG-CD1 4.3Å; L18-I109 HydrophobicContact CD1-CD1 3.85Å; L18-I109 HydrophobicContact CD1-CG1 3.77Å; L18-I109 HydrophobicContact CD1-CG2 4.39Å; L18-L112 HydrophobicContact CD1-CD1 4.44Å
19K96.6Very high95.1Very high75 Ų7573.3 Ų73.333%0.32637%0.365SS..Hα-helixtrans-54.3-44.7174.8-80.2164.8-179.2163.40111.2E12 L15 S16 K23 I30E12-K19 IonicContact OE1-NZ 2.74Å; L15-K19 HydrophobicContact CG-CD 4.24Å; L15-K19 WeakPolarHBondContact O-CB 3.39Å; L15-K19 WeakPolarHBondContact O-CD 3.45Å; L15-K19 WeakPolarHBondContact O-CG 3.38Å; L15-K19 PolarHBondContact O-N 3.38Å; S16-K19 PolarHBondContact O-N 3.37Å; K19-K23 WeakPolarHBondContact O-CB 3.38Å; K19-K23 PolarHBondContact O-N 3.34Å; K19-I30 HydrophobicContact CD-CG2 4.34Å; K19-I30 HydrophobicContact CG-CB 3.73Å; K19-I30 HydrophobicContact CG-CG1 4.22Å; K19-I30 HydrophobicContact CG-CG2 3.78Å
20H95.7Very high95.2Very high129 Ų12970.1 Ų70.160%0.59735%0.349SS*.Hα-helixtrans-64.6-50.7178.7-176.776.7000111.2S16 Q17 L18 K23 T24S16-H20 PolarHBondContact O-N 2.68Å; Q17-H20 PolarHBondContact O-N 3.14Å; L18-H20 VanDerWaalsContact C-N 3.26Å; L18-H20 PolarHBondContact O-N 3.29Å; H20-K23 PolarHBondContact O-N 2.89Å; H20-T24 PolarHBondContact O-N 3.25Å; H20-T24 PolarHBondContact O-OG1 3.49Å; H20-T24 VanDerWaalsContact O-OG1 3.06Å
21W95.7Very high95.5Very high41 Ų4169.1 Ų69.116%0.15534%0.344CS..Hα-helixtrans-61.7-44.6-178.9176.486.7000113.2Q17 L18 K23 T24 T25 H26 I105 E108 I109 L112Q17-W21 WeakPolarHBondContact O-CB 3.32Å; Q17-W21 PolarHBondContact O-N 3.36Å; L18-W21 HydrophobicContact CD1-CE3 4.04Å; L18-W21 HydrophobicContact CD1-CZ3 4.43Å; L18-W21 PolarHBondContact O-N 3.02Å; W21-K23 PolarHBondContact O-N 3.34Å; W21-T24 PolarHBondContact O-N 3.07Å; W21-T24 PolarHBondContact O-OG1 3.27Å; W21-T25 HydrophobicContact CZ2-CG2 4.36Å; W21-T25 PolarHBondContact NE1-OG1 3.25Å; W21-T25 VanDerWaalsContact O-CB 3.26Å; W21-T25 WeakPolarHBondContact O-CB 3.45Å; W21-T25 PolarHBondContact O-N 3.08Å; W21-T25 PolarHBondContact O-OG1 3.1Å; W21-H26 AromaticContact CH2-CD2 3.4Å; W21-H26 WeakPolarHBondContact CH2-CD2 3.44Å; W21-H26 AromaticContact CH2-NE2 3.22Å; W21-H26 WeakPolarHBondContact CH2-NE2 3.21Å; W21-H26 AromaticContact CZ2-CD2 3.73Å; W21-H26 AromaticContact CZ2-NE2 3.38Å; W21-H26 WeakPolarHBondContact CZ2-NE2 3.35Å; W21-H26 AromaticContact CZ3-CD2 3.7Å; W21-I105 HydrophobicContact CH2-CG2 4.13Å; W21-I105 HydrophobicContact CZ3-CG2 4.06Å; W21-E108 HydrophobicContact CH2-CB 3.7Å; W21-E108 WeakPolarHBondContact CH2-OE2 3.43Å; W21-E108 HydrophobicContact CZ2-CB 3.61Å; W21-E108 HydrophobicContact CZ2-CG 4.37Å; W21-E108 WeakPolarHBondContact CZ2-OE2 3.28Å; W21-I109 HydrophobicContact CE3-CG1 4.38Å; W21-I109 HydrophobicContact CH2-CG1 4.11Å; W21-I109 HydrophobicContact CZ3-CD1 4.11Å; W21-I109 HydrophobicContact CZ3-CG1 3.64Å; W21-L112 HydrophobicContact CD2-CD1 3.6Å; W21-L112 HydrophobicContact CD2-CD2 4.47Å; W21-L112 HydrophobicContact CE3-CD1 3.75Å; W21-L112 HydrophobicContact CG-CD1 3.98Å; W21-L112 HydrophobicContact CG-CD2 4.14Å; W21-L112 HydrophobicContact CH2-CD1 4.36Å; W21-L112 HydrophobicContact CZ2-CD1 4.25Å; W21-L112 HydrophobicContact CZ3-CD1 4.13Å
22L96.6Very high95.7Very high0 Ų067.3 Ų67.30%033%0.327CS..Iπ-helixtrans-58.1-40.7175.7-76.6170.3000111.4L18 H26 K27 I28 I30 F33 I105L18-L22 HydrophobicContact CD1-CD1 4.05Å; L18-L22 HydrophobicContact CD1-CG 3.97Å; L18-L22 HydrophobicContact CG-CD1 3.93Å; L18-L22 HydrophobicContact CG-CG 4.32Å; L18-L22 WeakPolarHBondContact O-CB 3.47Å; L18-L22 WeakPolarHBondContact O-CG 3.37Å; L18-L22 PolarHBondContact O-N 2.88Å; L22-H26 CarbonylContact O-C 3.59Å; L22-H26 WeakPolarHBondContact O-CA 3.45Å; L22-H26 PolarHBondContact O-N 3.01Å; L22-H26 VanDerWaalsContact O-N 3.11Å; L22-K27 PolarHBondContact O-N 3.2Å; L22-I28 CarbonylContact C-O 3.43Å; L22-I28 WeakPolarHBondContact CB-O 3.45Å; L22-I28 PolarHBondContact O-N 3.07Å; L22-I28 VanDerWaalsContact O-N 3.14Å; L22-I30 HydrophobicContact CD1-CD1 3.68Å; L22-F33 HydrophobicContact CD1-CB 3.77Å; L22-F33 HydrophobicContact CD1-CD1 4.15Å; L22-F33 HydrophobicContact CD1-CG 3.93Å; L22-F33 HydrophobicContact CD2-CB 4.3Å; L22-F33 HydrophobicContact CD2-CD2 4Å; L22-F33 HydrophobicContact CD2-CG 4.12Å; L22-I105 HydrophobicContact CD2-CG2 4.16Å
23K96.3Very high95.9Very high153 Ų15363.9 Ų63.967%0.66531%0.311SS*.Iπ-helixtrans-71.1-43.2-179-173.4177179.4-178.20112.3K19 H20 W21 K27 I28K19-K23 WeakPolarHBondContact O-CB 3.38Å; K19-K23 PolarHBondContact O-N 3.34Å; H20-K23 PolarHBondContact O-N 2.89Å; W21-K23 PolarHBondContact O-N 3.34Å; K23-K27 WeakPolarHBondContact O-CA 3.37Å; K23-K27 PolarHBondContact O-N 3.35Å; K23-I28 PolarHBondContact N-O 2.87Å
24T95.4Very high96Very high82 Ų8260.4 Ų60.450%0.50330%0.301SS..Iπ-helixtrans-79.5-42.9-175.953.10000112.6H20 W21H20-T24 PolarHBondContact O-N 3.25Å; H20-T24 PolarHBondContact O-OG1 3.49Å; H20-T24 VanDerWaalsContact O-OG1 3.06Å; W21-T24 PolarHBondContact O-N 3.07Å; W21-T24 PolarHBondContact O-OG1 3.27Å
25T95Very high96.3Very high75 Ų7555.5 Ų55.546%0.4628%0.278SS..Iπ-helixtrans-83.6-45.7-175.5-51.40000111.9W21W21-T25 HydrophobicContact CZ2-CG2 4.36Å; W21-T25 PolarHBondContact NE1-OG1 3.25Å; W21-T25 VanDerWaalsContact O-CB 3.26Å; W21-T25 WeakPolarHBondContact O-CB 3.45Å; W21-T25 PolarHBondContact O-N 3.08Å; W21-T25 PolarHBondContact O-OG1 3.1Å
26H94.2Very high96.4Very high37 Ų3752.7 Ų52.717%0.17126%0.263CS..Iπ-helixtrans-111.1-7.4-169.6-66-69000114.1W21 L22 I28 E108W21-H26 AromaticContact CH2-CD2 3.4Å; W21-H26 WeakPolarHBondContact CH2-CD2 3.44Å; W21-H26 AromaticContact CH2-NE2 3.22Å; W21-H26 WeakPolarHBondContact CH2-NE2 3.21Å; W21-H26 AromaticContact CZ2-CD2 3.73Å; W21-H26 AromaticContact CZ2-NE2 3.38Å; W21-H26 WeakPolarHBondContact CZ2-NE2 3.35Å; W21-H26 AromaticContact CZ3-CD2 3.7Å; L22-H26 CarbonylContact O-C 3.59Å; L22-H26 WeakPolarHBondContact O-CA 3.45Å; L22-H26 PolarHBondContact O-N 3.01Å; L22-H26 VanDerWaalsContact O-N 3.11Å; H26-I28 HydrophobicContact CB-CB 4.42Å; H26-I28 HydrophobicContact CB-CD1 4.06Å; H26-I28 HydrophobicContact CB-CG1 4.28Å; H26-I28 WeakPolarHBondContact O-CG1 3.39Å; H26-I28 PolarHBondContact O-N 3.2Å; H26-E108 IonicContact CE1-OE2 2.67Å; H26-E108 PolarHBondContact CE1-OE2 3.44Å; H26-E108 IonicContact NE2-OE2 3.61Å; H26-E108 PolarHBondContact NE2-OE2 3.42Å
27K95.9Very high96.5Very high166 Ų16653.3 Ų53.372%0.72226%0.259SS*.  trans55.934.2-175.3-55.8178.7-179.4175.50112.7L22 K23 K75L22-K27 PolarHBondContact O-N 3.2Å; K23-K27 WeakPolarHBondContact O-CA 3.37Å; K23-K27 PolarHBondContact O-N 3.35Å; K27-K75 PolarHBondContact O-NZ 3.12Å
28I96.7Very high96.7Very high6 Ų652.6 Ų52.63%0.03126%0.255CS..  trans-116.1136.1-179.5-67.8170.7000108.3L22 K23 H26 E32 F33 L36 L77 I105L22-I28 CarbonylContact C-O 3.43Å; L22-I28 WeakPolarHBondContact CB-O 3.45Å; L22-I28 PolarHBondContact O-N 3.07Å; L22-I28 VanDerWaalsContact O-N 3.14Å; K23-I28 PolarHBondContact N-O 2.87Å; H26-I28 HydrophobicContact CB-CB 4.42Å; H26-I28 HydrophobicContact CB-CD1 4.06Å; H26-I28 HydrophobicContact CB-CG1 4.28Å; H26-I28 WeakPolarHBondContact O-CG1 3.39Å; H26-I28 PolarHBondContact O-N 3.2Å; I28-E32 WeakPolarHBondContact CA-OE2 3.5Å; I28-E32 HydrophobicContact CG2-CB 3.66Å; I28-F33 HydrophobicContact CG2-CB 4.03Å; I28-L36 HydrophobicContact CD1-CD1 4.11Å; I28-L36 HydrophobicContact CG2-CD1 4.23Å; I28-L77 HydrophobicContact CD1-CD1 3.82Å; I28-L77 HydrophobicContact CD1-CD2 4.36Å; I28-L77 HydrophobicContact CG1-CD1 3.94Å; I28-I105 HydrophobicContact CD1-CD1 4.15Å
29S97.3Very high96.8Very high43 Ų4351 Ų5130%0.30125%0.247SC..  trans-79.3160.7170.990.90000111.1E31 E32 F33S29-E31 WeakPolarHBondContact CB-OE2 3.4Å; S29-E31 PolarHBondContact O-N 3.46Å; S29-E31 PolarHBondContact OG-N 2.9Å; S29-E31 PolarHBondContact OG-OE2 3.09Å; S29-E32 PolarHBondContact N-OE2 2.82Å; S29-E32 WeakPolarHBondContact O-CB 3.37Å; S29-E32 PolarHBondContact O-N 2.91Å; S29-E32 PolarHBondContact OG-N 3.36Å; S29-F33 PolarHBondContact O-N 3.16Å
30I97.1Very high96.8Very high27 Ų2750.6 Ų50.614%0.13824%0.244CC..Hα-helixtrans-59.8-36.5176.1-171.161.9000111.7L15 L18 K19 L22 F33 V34L15-I30 HydrophobicContact CD1-CD1 4.13Å; L15-I30 HydrophobicContact CD1-CG1 4.08Å; L18-I30 HydrophobicContact CD2-CD1 3.96Å; L18-I30 HydrophobicContact CG-CD1 4.3Å; K19-I30 HydrophobicContact CD-CG2 4.34Å; K19-I30 HydrophobicContact CG-CB 3.73Å; K19-I30 HydrophobicContact CG-CG1 4.22Å; K19-I30 HydrophobicContact CG-CG2 3.78Å; L22-I30 HydrophobicContact CD1-CD1 3.68Å; I30-F33 HydrophobicContact CD1-CD1 4.24Å; I30-F33 PolarHBondContact O-N 3.06Å; I30-V34 WeakPolarHBondContact O-CG2 3.24Å; I30-V34 PolarHBondContact O-N 2.86Å
31E97.6Very high96.8Very high62 Ų6249.9 Ų49.929%0.2924%0.241SC..Hα-helixtrans-68-40.7177.5-54.293.514900111.7S29 F33 V34 V35 W60 I68S29-E31 WeakPolarHBondContact CB-OE2 3.4Å; S29-E31 PolarHBondContact O-N 3.46Å; S29-E31 PolarHBondContact OG-N 2.9Å; S29-E31 PolarHBondContact OG-OE2 3.09Å; E31-F33 VanDerWaalsContact C-N 3.32Å; E31-F33 PolarHBondContact O-N 3.07Å; E31-V34 PolarHBondContact O-N 2.91Å; E31-V35 WeakPolarHBondContact O-CG2 3.23Å; E31-V35 PolarHBondContact O-N 3.18Å; E31-V35 VanDerWaalsContact O-N 3.15Å; E31-W60 HydrophobicContact CB-CH2 3.56Å; E31-W60 HydrophobicContact CB-CZ2 3.97Å; E31-W60 HydrophobicContact CB-CZ3 4.09Å; E31-W60 HydrophobicContact CG-CH2 3.83Å; E31-W60 HydrophobicContact CG-CZ2 3.67Å; E31-I68 HydrophobicContact CB-CD1 3.75Å
32E98.1Very high96.8Very high12 Ų1250 Ų506%0.05625%0.251CS..Hα-helixtrans-59.4-44.3172-70.1177151.100110.9I28 S29 V35 L36 I68 I72 K75I28-E32 WeakPolarHBondContact CA-OE2 3.5Å; I28-E32 HydrophobicContact CG2-CB 3.66Å; S29-E32 PolarHBondContact N-OE2 2.82Å; S29-E32 WeakPolarHBondContact O-CB 3.37Å; S29-E32 PolarHBondContact O-N 2.91Å; S29-E32 PolarHBondContact OG-N 3.36Å; E32-V35 PolarHBondContact O-N 3.01Å; E32-L36 WeakPolarHBondContact O-CG 3.38Å; E32-L36 PolarHBondContact O-N 3.34Å; E32-I68 HydrophobicContact CB-CG2 4.5Å; E32-I68 HydrophobicContact CG-CG2 4.05Å; E32-I72 HydrophobicContact CB-CG2 3.62Å; E32-I72 HydrophobicContact CG-CG2 3.6Å; E32-K75 WeakPolarHBondContact OE1-CE 3.32Å; E32-K75 IonicContact OE1-NZ 3.35Å; E32-K75 PolarHBondContact OE1-NZ 3.48Å; E32-K75 IonicContact OE2-NZ 2.88Å; E32-K75 PolarHBondContact OE2-NZ 2.9Å
33F97.8Very high96.7Very high21 Ų2156.4 Ų56.49%0.09228%0.28CS..Hα-helixtrans-62.2-42.6177.2178.2-104.9000112.7L22 I28 S29 I30 E31 V35 L36 F37 L102 I105 I109L22-F33 HydrophobicContact CD1-CB 3.77Å; L22-F33 HydrophobicContact CD1-CD1 4.15Å; L22-F33 HydrophobicContact CD1-CG 3.93Å; L22-F33 HydrophobicContact CD2-CB 4.3Å; L22-F33 HydrophobicContact CD2-CD2 4Å; L22-F33 HydrophobicContact CD2-CG 4.12Å; I28-F33 HydrophobicContact CG2-CB 4.03Å; S29-F33 PolarHBondContact O-N 3.16Å; I30-F33 HydrophobicContact CD1-CD1 4.24Å; I30-F33 PolarHBondContact O-N 3.06Å; E31-F33 VanDerWaalsContact C-N 3.32Å; E31-F33 PolarHBondContact O-N 3.07Å; F33-V35 PolarHBondContact O-N 3.45Å; F33-L36 WeakPolarHBondContact O-CB 3.23Å; F33-L36 PolarHBondContact O-N 3.5Å; F33-F37 HydrophobicContact CZ-CD2 4.18Å; F33-F37 WeakPolarHBondContact O-CB 3.45Å; F33-F37 PolarHBondContact O-N 3.16Å; F33-L102 HydrophobicContact CD2-CD1 4.33Å; F33-L102 HydrophobicContact CE2-CD1 3.92Å; F33-I105 HydrophobicContact CD2-CG2 4.13Å; F33-I105 HydrophobicContact CE2-CG2 3.65Å; F33-I109 HydrophobicContact CE1-CD1 4Å; F33-I109 HydrophobicContact CE2-CD1 3.88Å; F33-I109 HydrophobicContact CZ-CD1 3.45Å; F33-I109 VanDerWaalsContact CZ-CD1 3.45Å
34V97.7Very high96.7Very high29 Ų2954.4 Ų54.418%0.17627%0.272CS..Hα-helixtrans-59.7-45.6176.4167.70000111.2I30 E31 L36 F37 K38 L54 M58 W60I30-V34 WeakPolarHBondContact O-CG2 3.24Å; I30-V34 PolarHBondContact O-N 2.86Å; E31-V34 PolarHBondContact O-N 2.91Å; V34-L36 VanDerWaalsContact C-N 3.33Å; V34-L36 PolarHBondContact O-N 2.91Å; V34-F37 PolarHBondContact O-N 3.1Å; V34-K38 PolarHBondContact O-N 2.89Å; V34-L54 HydrophobicContact CG1-CD2 3.76Å; V34-M58 HydrophobicContact CG1-CE 4.42Å; V34-M58 HydrophobicContact CG1-CG 4.28Å; V34-M58 HydrophobicContact CG1-SD 4.32Å; V34-W60 HydrophobicContact CB-CH2 3.95Å; V34-W60 HydrophobicContact CG1-CH2 3.88Å; V34-W60 HydrophobicContact CG1-CZ3 4.38Å; V34-W60 HydrophobicContact CG2-CH2 4.5Å
35V98.1Very high96.8Very high0 Ų050.9 Ų50.90%025%0.25CC..Hα-helixtrans-61.9-43.8176.4-178.30000110.9E31 E32 F33 F37 K38 V39 L50 L54 W60 I68 I69 I72E31-V35 WeakPolarHBondContact O-CG2 3.23Å; E31-V35 PolarHBondContact O-N 3.18Å; E31-V35 VanDerWaalsContact O-N 3.15Å; E32-V35 PolarHBondContact O-N 3.01Å; F33-V35 PolarHBondContact O-N 3.45Å; V35-F37 VanDerWaalsContact C-N 3.34Å; V35-F37 PolarHBondContact O-N 3.39Å; V35-K38 PolarHBondContact O-N 2.95Å; V35-V39 WeakPolarHBondContact O-CG2 3.29Å; V35-V39 PolarHBondContact O-N 3.34Å; V35-L50 HydrophobicContact CG1-CD1 4.43Å; V35-L50 HydrophobicContact CG1-CD2 4.06Å; V35-L54 HydrophobicContact CB-CD1 4.4Å; V35-L54 HydrophobicContact CG1-CD1 4.31Å; V35-L54 HydrophobicContact CG2-CD1 3.68Å; V35-W60 HydrophobicContact CG2-CZ3 4.12Å; V35-I68 HydrophobicContact CB-CG2 4.21Å; V35-I68 HydrophobicContact CG2-CB 4.39Å; V35-I68 HydrophobicContact CG2-CG2 3.57Å; V35-I69 HydrophobicContact CG1-CG1 3.9Å; V35-I72 HydrophobicContact CB-CD1 3.97Å; V35-I72 HydrophobicContact CG1-CD1 3.51Å
36L98Very high96.9Very high4 Ų448.1 Ų48.12%0.02123%0.233CC..Hα-helixtrans-59.8-45.7177-70.5167.8000111.4I28 E32 F33 V34 K38 V39 Y40 I72 L77 I78 Y94 L102I28-L36 HydrophobicContact CD1-CD1 4.11Å; I28-L36 HydrophobicContact CG2-CD1 4.23Å; E32-L36 WeakPolarHBondContact O-CG 3.38Å; E32-L36 PolarHBondContact O-N 3.34Å; F33-L36 WeakPolarHBondContact O-CB 3.23Å; F33-L36 PolarHBondContact O-N 3.5Å; V34-L36 VanDerWaalsContact C-N 3.33Å; V34-L36 PolarHBondContact O-N 2.91Å; L36-K38 PolarHBondContact O-N 2.94Å; L36-V39 PolarHBondContact O-N 2.81Å; L36-Y40 PolarHBondContact O-N 2.95Å; L36-I72 HydrophobicContact CD2-CB 4.39Å; L36-I72 HydrophobicContact CD2-CD1 4.01Å; L36-I72 HydrophobicContact CG-CD1 4.23Å; L36-L77 HydrophobicContact CD1-CB 4.41Å; L36-L77 HydrophobicContact CD1-CD1 3.94Å; L36-L77 HydrophobicContact CD2-CB 3.72Å; L36-I78 HydrophobicContact CD2-CG2 3.41Å; L36-I78 VanDerWaalsContact CD2-CG2 3.41Å; L36-Y94 WeakPolarHBondContact CA-OH 3.45Å; L36-Y94 VanDerWaalsContact CB-OH 3.3Å; L36-Y94 WeakPolarHBondContact CB-OH 3.49Å; L36-Y94 HydrophobicContact CD2-CE1 4.14Å; L36-Y94 VanDerWaalsContact CD2-OH 3.28Å; L36-Y94 WeakPolarHBondContact CD2-OH 3.38Å; L36-Y94 PolarHBondContact O-OH 3.01Å; L36-L102 HydrophobicContact CB-CD2 3.9Å
37F97.4Very high97Very high67 Ų6746.5 Ų46.529%0.29423%0.227SC..Hα-helixtrans-65.5-38.2-178.1-164.5-100.7000112.1F33 V34 V35 V39 Y40 E41 T106F33-F37 HydrophobicContact CZ-CD2 4.18Å; F33-F37 WeakPolarHBondContact O-CB 3.45Å; F33-F37 PolarHBondContact O-N 3.16Å; V34-F37 PolarHBondContact O-N 3.1Å; V35-F37 VanDerWaalsContact C-N 3.34Å; V35-F37 PolarHBondContact O-N 3.39Å; F37-V39 VanDerWaalsContact C-N 3.33Å; F37-V39 PolarHBondContact O-N 3.16Å; F37-Y40 HydrophobicContact CD2-CD1 4.29Å; F37-Y40 HydrophobicContact CE2-CD1 4.07Å; F37-Y40 HydrophobicContact CE2-CE1 4.49Å; F37-Y40 WeakPolarHBondContact O-CA 3Å; F37-Y40 VanDerWaalsContact O-CB 3.28Å; F37-Y40 WeakPolarHBondContact O-CB 3.13Å; F37-Y40 PolarHBondContact O-N 3Å; F37-E41 HydrophobicContact CD1-CG 3.92Å; F37-E41 VanDerWaalsContact CE1-CD 3.41Å; F37-E41 HydrophobicContact CE1-CG 3.62Å; F37-E41 WeakPolarHBondContact CE1-OE1 3.39Å; F37-E41 HydrophobicContact CZ-CG 4.18Å; F37-E41 PolarHBondContact O-N 3.36Å; F37-T106 HydrophobicContact CD2-CG2 4.05Å; F37-T106 HydrophobicContact CE2-CG2 3.79Å
38K97.6Very high96.9Very high42 Ų4245.4 Ų45.418%0.18322%0.222CC..Hα-helixtrans-61.6-38.3173.6-71.7-59.6-173176.90113.4V34 V35 L36 Y40 E41 A42 L50 T53 L54 E57V34-K38 PolarHBondContact O-N 2.89Å; V35-K38 PolarHBondContact O-N 2.95Å; L36-K38 PolarHBondContact O-N 2.94Å; K38-Y40 VanDerWaalsContact C-N 3.26Å; K38-Y40 PolarHBondContact O-N 3.02Å; K38-E41 IonicContact NZ-OE2 3.39Å; K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 3.18Å; K38-L50 HydrophobicContact CB-CD1 3.78Å; K38-T53 HydrophobicContact CD-CG2 4.39Å; K38-L54 HydrophobicContact CG-CD2 4.12Å; K38-E57 WeakPolarHBondContact CE-OE2 3.42Å; K38-E57 IonicContact NZ-OE1 3.81Å; K38-E57 PolarHBondContact NZ-OE1 2.89Å; K38-E57 IonicContact NZ-OE2 3.66Å; K38-E57 PolarHBondContact NZ-OE2 3.41Å
39V97.7Very high96.9Very high0 Ų050 Ų500%024%0.244CC..Hα-helixtrans-67.6-31.7172.5-178.90000110.8V35 L36 F37 E43 I45 L50 Y94V35-V39 WeakPolarHBondContact O-CG2 3.29Å; V35-V39 PolarHBondContact O-N 3.34Å; L36-V39 PolarHBondContact O-N 2.81Å; F37-V39 VanDerWaalsContact C-N 3.33Å; F37-V39 PolarHBondContact O-N 3.16Å; V39-E43 PolarHBondContact O-N 2.74Å; V39-E43 VanDerWaalsContact O-N 3.12Å; V39-I45 HydrophobicContact CB-CG2 4.39Å; V39-I45 HydrophobicContact CG1-CG2 4.43Å; V39-I45 HydrophobicContact CG2-CG2 3.86Å; V39-L50 HydrophobicContact CG2-CD1 4.37Å; V39-L50 HydrophobicContact CG2-CD2 3.94Å; V39-Y94 HydrophobicContact CB-CE2 3.93Å; V39-Y94 HydrophobicContact CG1-CD2 4.18Å; V39-Y94 HydrophobicContact CG1-CE2 3.75Å
40Y96.5Very high96.9Very high66 Ų6648 Ų4826%0.25923%0.229SC..Hα-helixtrans-70.6-45.5-178.6176.4-93.2000111.2L36 F37 K38 A42 E43 Y94 K99 L102 D103L36-Y40 PolarHBondContact O-N 2.95Å; F37-Y40 HydrophobicContact CD2-CD1 4.29Å; F37-Y40 HydrophobicContact CE2-CD1 4.07Å; F37-Y40 HydrophobicContact CE2-CE1 4.49Å; F37-Y40 WeakPolarHBondContact O-CA 3Å; F37-Y40 VanDerWaalsContact O-CB 3.28Å; F37-Y40 WeakPolarHBondContact O-CB 3.13Å; F37-Y40 PolarHBondContact O-N 3Å; K38-Y40 VanDerWaalsContact C-N 3.26Å; K38-Y40 PolarHBondContact O-N 3.02Å; Y40-A42 VanDerWaalsContact C-N 3.34Å; Y40-A42 PolarHBondContact O-N 2.98Å; Y40-E43 PolarHBondContact O-N 2.98Å; Y40-Y94 HydrophobicContact CD2-CE2 4.44Å; Y40-K99 HydrophobicContact CE2-CG 4.39Å; Y40-L102 HydrophobicContact CD2-CB 4.35Å; Y40-L102 HydrophobicContact CD2-CD2 4.19Å; Y40-L102 HydrophobicContact CD2-CG 4.14Å; Y40-L102 HydrophobicContact CG-CD2 4.3Å; Y40-L102 HydrophobicContact CG-CG 4.43Å; Y40-D103 VanDerWaalsContact CE2-OD1 3.24Å; Y40-D103 WeakPolarHBondContact CE2-OD1 3.35Å; Y40-D103 PolarHBondContact OH-OD1 3.41Å
41E95.7Very high96.9Very high115 Ų11550.3 Ų50.354%0.53724%0.236SC..Hα-helixtrans-61.9-40.7175.9-69.4-175.7124.400112.4F37 K38F37-E41 HydrophobicContact CD1-CG 3.92Å; F37-E41 VanDerWaalsContact CE1-CD 3.41Å; F37-E41 HydrophobicContact CE1-CG 3.62Å; F37-E41 WeakPolarHBondContact CE1-OE1 3.39Å; F37-E41 HydrophobicContact CZ-CG 4.18Å; F37-E41 PolarHBondContact O-N 3.36Å; K38-E41 IonicContact NZ-OE2 3.39Å
42A96.2Very high96.9Very high44 Ų4450.3 Ų50.336%0.36424%0.238SC..Hα-helixtrans-81.4-12.3-177.600000114.2K38 Y40 K44 I45K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 3.18Å; Y40-A42 VanDerWaalsContact C-N 3.34Å; Y40-A42 PolarHBondContact O-N 2.98Å; A42-K44 PolarHBondContact O-N 2.9Å; A42-I45 HydrophobicContact CB-CB 3.87Å; A42-I45 HydrophobicContact CB-CD1 4.23Å; A42-I45 HydrophobicContact CB-CG1 4.4Å
43E94.4Very high96.9Very high134 Ų13451.5 Ų51.563%0.62625%0.246SC*.SBendtrans59.4-44.7-166.9-53.5-163.4131.200115.4V39 Y40 K99V39-E43 PolarHBondContact O-N 2.74Å; V39-E43 VanDerWaalsContact O-N 3.12Å; Y40-E43 PolarHBondContact O-N 2.98Å; E43-K99 IonicContact OE1-NZ 2.9Å
44K96.3Very high96.9Very high110 Ų11050.5 Ų50.548%0.47824%0.242SC..EExtended strand (participates in β ladder)trans-146.6123.8172.7-179.9179.4179.5-177.80108.9A42 F91 Y92 F93A42-K44 PolarHBondContact O-N 2.9Å; K44-F91 HydrophobicContact CG-CB 4.25Å; K44-F91 HydrophobicContact CG-CD1 4.36Å; K44-Y92 WeakPolarHBondContact CA-O 3.45Å; K44-F93 HydrophobicContact CB-CB 4.23Å; K44-F93 HydrophobicContact CG-CB 4.3Å
45I97.3Very high96.9Very high9 Ų952.5 Ų52.55%0.04625%0.249CC..EExtended strand (participates in β ladder)trans-128.8144.5-177.4-167.7166.5000111.2V39 A42 E49 L50 F91 Y92V39-I45 HydrophobicContact CB-CG2 4.39Å; V39-I45 HydrophobicContact CG1-CG2 4.43Å; V39-I45 HydrophobicContact CG2-CG2 3.86Å; A42-I45 HydrophobicContact CB-CB 3.87Å; A42-I45 HydrophobicContact CB-CD1 4.23Å; A42-I45 HydrophobicContact CB-CG1 4.4Å; I45-E49 HydrophobicContact CD1-CB 4.37Å; I45-E49 HydrophobicContact CD1-CG 4.01Å; I45-E49 HydrophobicContact CG1-CB 3.97Å; I45-E49 HydrophobicContact CG1-CG 3.94Å; I45-L50 HydrophobicContact CD1-CB 3.94Å; I45-L50 HydrophobicContact CD1-CD1 4.24Å; I45-L50 HydrophobicContact CG1-CB 4.16Å; I45-L50 HydrophobicContact CG2-CB 4.08Å; I45-L50 HydrophobicContact CG2-CD1 4.45Å; I45-L50 HydrophobicContact CG2-CD2 4.27Å; I45-F91 CarbonylContact O-C 3.54Å; I45-F91 WeakPolarHBondContact O-CA 3.23Å; I45-Y92 PolarHBondContact N-O 3.12Å; I45-Y92 PolarHBondContact O-N 3.39Å
46S96.8Very high96.8Very high17 Ų1759.5 Ų59.512%0.11928%0.28CS..EExtended strand (participates in β ladder)trans-73.2148172.578.20000110.9K48 E49 L50 V90S46-K48 PolarHBondContact O-N 2.89Å; S46-E49 PolarHBondContact O-N 3.23Å; S46-E49 WeakPolarHBondContact OG-CB 3.48Å; S46-E49 PolarHBondContact OG-N 3.49Å; S46-E49 VanDerWaalsContact OG-N 3.13Å; S46-L50 WeakPolarHBondContact O-CB 3.45Å; S46-L50 PolarHBondContact O-N 3.17Å; S46-V90 CarbonylContact C-O 3.58Å; S46-V90 WeakPolarHBondContact CA-O 3.27Å
47G96Very high96.7Very high3 Ų364.7 Ų64.73%0.03130%0.304CS..Hα-helixtrans-64.5-25178.500000113.5R51 V90G47-R51 WeakPolarHBondContact O-CB 3.42Å; G47-R51 WeakPolarHBondContact O-CG 3.33Å; G47-R51 PolarHBondContact O-N 2.79Å; G47-R51 PolarHBondContact O-NE 2.9Å; G47-V90 PolarHBondContact N-O 2.97Å
48K95.1Very high96.7Very high143 Ų14365 Ų6562%0.62231%0.307SS*.Hα-helixtrans-69.4-54.7171.7-178.2-175175-1710110.3S46 L50 R51 D52S46-K48 PolarHBondContact O-N 2.89Å; K48-L50 PolarHBondContact O-N 3.29Å; K48-R51 WeakPolarHBondContact O-CB 3.48Å; K48-R51 PolarHBondContact O-N 3.32Å; K48-R51 VanDerWaalsContact O-N 3.14Å; K48-D52 WeakPolarHBondContact CE-OD2 3.39Å; K48-D52 WeakPolarHBondContact CG-OD2 3.41Å; K48-D52 VanDerWaalsContact O-CG 3.3Å; K48-D52 PolarHBondContact O-N 3.44Å
49E96.7Very high96.6Very high103 Ų10370.1 Ų70.148%0.48134%0.336SS..Hα-helixtrans-57.7-46.9-179.8-174-178.8-177.500111.7I45 S46 R51 D52 T53I45-E49 HydrophobicContact CD1-CB 4.37Å; I45-E49 HydrophobicContact CD1-CG 4.01Å; I45-E49 HydrophobicContact CG1-CB 3.97Å; I45-E49 HydrophobicContact CG1-CG 3.94Å; S46-E49 PolarHBondContact O-N 3.23Å; S46-E49 WeakPolarHBondContact OG-CB 3.48Å; S46-E49 PolarHBondContact OG-N 3.49Å; S46-E49 VanDerWaalsContact OG-N 3.13Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 3.18Å; E49-D52 PolarHBondContact O-N 3.13Å; E49-T53 WeakPolarHBondContact O-CB 3.3Å; E49-T53 PolarHBondContact O-N 3.46Å; E49-T53 PolarHBondContact O-OG1 3.27Å
50L97.7Very high96.6Very high0 Ų071.5 Ų71.50%034%0.341CS..Hα-helixtrans-57.4-43.2176.4-179.760.2000112.5V35 K38 V39 I45 S46 K48 L54 I69 Y92V35-L50 HydrophobicContact CG1-CD1 4.43Å; V35-L50 HydrophobicContact CG1-CD2 4.06Å; K38-L50 HydrophobicContact CB-CD1 3.78Å; V39-L50 HydrophobicContact CG2-CD1 4.37Å; V39-L50 HydrophobicContact CG2-CD2 3.94Å; I45-L50 HydrophobicContact CD1-CB 3.94Å; I45-L50 HydrophobicContact CD1-CD1 4.24Å; I45-L50 HydrophobicContact CG1-CB 4.16Å; I45-L50 HydrophobicContact CG2-CB 4.08Å; I45-L50 HydrophobicContact CG2-CD1 4.45Å; I45-L50 HydrophobicContact CG2-CD2 4.27Å; S46-L50 WeakPolarHBondContact O-CB 3.45Å; S46-L50 PolarHBondContact O-N 3.17Å; K48-L50 PolarHBondContact O-N 3.29Å; L50-L54 HydrophobicContact CD1-CD1 3.8Å; L50-L54 HydrophobicContact CD1-CG 4.32Å; L50-L54 HydrophobicContact CG-CD1 4.04Å; L50-L54 WeakPolarHBondContact O-CB 3.5Å; L50-L54 WeakPolarHBondContact O-CD1 3.32Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.02Å; L50-L54 PolarHBondContact O-N 2.78Å; L50-L54 VanDerWaalsContact O-N 3.15Å; L50-I69 HydrophobicContact CD2-CD1 3.77Å; L50-I69 HydrophobicContact CD2-CG1 4.21Å; L50-I69 HydrophobicContact CG-CD1 4.31Å; L50-Y92 HydrophobicContact CD2-CD2 3.8Å; L50-Y92 HydrophobicContact CD2-CE2 4.33Å
51R97.1Very high96.6Very high75 Ų7573.6 Ų73.628%0.28336%0.357SS..Hα-helixtrans-65.6-47.9177.1-84.9-172.9-67.1-117.41.1111.9G47 K48 E49 L54 H55 I65 D66G47-R51 WeakPolarHBondContact O-CB 3.42Å; G47-R51 WeakPolarHBondContact O-CG 3.33Å; G47-R51 PolarHBondContact O-N 2.79Å; G47-R51 PolarHBondContact O-NE 2.9Å; K48-R51 WeakPolarHBondContact O-CB 3.48Å; K48-R51 PolarHBondContact O-N 3.32Å; K48-R51 VanDerWaalsContact O-N 3.14Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 3.18Å; R51-L54 PolarHBondContact O-N 2.88Å; R51-H55 VanDerWaalsContact O-CB 3.29Å; R51-H55 WeakPolarHBondContact O-CB 3.24Å; R51-H55 PolarHBondContact O-N 3.3Å; R51-I65 HydrophobicContact CG-CB 4.46Å; R51-I65 HydrophobicContact CG-CG2 3.87Å; R51-I65 WeakPolarHBondContact O-CD1 3.5Å; R51-D66 WeakPolarHBondContact CD-OD1 3.38Å; R51-D66 IonicContact CZ-OD1 3.87Å; R51-D66 IonicContact NH1-OD1 2.91Å; R51-D66 PolarHBondContact NH1-OD1 3.01Å; R51-D66 IonicContact NH1-OD2 3.81Å
52D97.2Very high96.6Very high62 Ų6271.4 Ų71.433%0.33235%0.351SS..Hα-helixtrans-63.1-46.5-176.9-67-11.4000109.5K48 E49 L54 H55 F56K48-D52 WeakPolarHBondContact CE-OD2 3.39Å; K48-D52 WeakPolarHBondContact CG-OD2 3.41Å; K48-D52 VanDerWaalsContact O-CG 3.3Å; K48-D52 PolarHBondContact O-N 3.44Å; E49-D52 PolarHBondContact O-N 3.13Å; D52-L54 PolarHBondContact O-N 3.22Å; D52-H55 PolarHBondContact O-N 2.9Å; D52-F56 HydrophobicContact CB-CD2 4.47Å; D52-F56 HydrophobicContact CB-CE2 4.28Å; D52-F56 WeakPolarHBondContact O-CD2 3.49Å; D52-F56 PolarHBondContact O-N 3.05Å
53T97.1Very high96.6Very high38 Ų3872.9 Ų72.923%0.23336%0.359CS..Hα-helixtrans-55.1-51.7175.3-610000111.9K38 E49 H55 F56 E57K38-T53 HydrophobicContact CD-CG2 4.39Å; E49-T53 WeakPolarHBondContact O-CB 3.3Å; E49-T53 PolarHBondContact O-N 3.46Å; E49-T53 PolarHBondContact O-OG1 3.27Å; T53-H55 VanDerWaalsContact C-N 3.33Å; T53-H55 PolarHBondContact O-N 3Å; T53-F56 PolarHBondContact O-N 2.81Å; T53-E57 HydrophobicContact CG2-CG 4.27Å; T53-E57 WeakPolarHBondContact CG2-OE1 3.42Å; T53-E57 VanDerWaalsContact O-CB 3.3Å; T53-E57 WeakPolarHBondContact O-CB 3.3Å; T53-E57 WeakPolarHBondContact O-CG 3.18Å; T53-E57 PolarHBondContact O-N 3.42Å
54L97.9Very high96.8Very high0 Ų070.4 Ų70.40%035%0.346CS..Hα-helixtrans-68.1-33-179-69.8167.7000112.5V34 V35 K38 L50 R51 D52 M58 W60 I65V34-L54 HydrophobicContact CG1-CD2 3.76Å; V35-L54 HydrophobicContact CB-CD1 4.4Å; V35-L54 HydrophobicContact CG1-CD1 4.31Å; V35-L54 HydrophobicContact CG2-CD1 3.68Å; K38-L54 HydrophobicContact CG-CD2 4.12Å; L50-L54 HydrophobicContact CD1-CD1 3.8Å; L50-L54 HydrophobicContact CD1-CG 4.32Å; L50-L54 HydrophobicContact CG-CD1 4.04Å; L50-L54 WeakPolarHBondContact O-CB 3.5Å; L50-L54 WeakPolarHBondContact O-CD1 3.32Å; L50-L54 VanDerWaalsContact O-CG 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.02Å; L50-L54 PolarHBondContact O-N 2.78Å; L50-L54 VanDerWaalsContact O-N 3.15Å; R51-L54 PolarHBondContact O-N 2.88Å; D52-L54 PolarHBondContact O-N 3.22Å; L54-M58 HydrophobicContact CD2-CG 4.05Å; L54-M58 WeakPolarHBondContact O-CA 3.33Å; L54-M58 VanDerWaalsContact O-CB 3.23Å; L54-M58 WeakPolarHBondContact O-CB 3.45Å; L54-M58 PolarHBondContact O-N 3.36Å; L54-W60 HydrophobicContact CD2-CZ3 4.17Å; L54-I65 HydrophobicContact CB-CD1 3.65Å; L54-I65 HydrophobicContact CB-CG1 4.09Å; L54-I65 HydrophobicContact CB-CG2 4.5Å; L54-I65 HydrophobicContact CD1-CG2 3.73Å
55H97.9Very high96.8Very high70 Ų7065.1 Ų65.132%0.32432%0.323SS..Hα-helixtrans-64.5-45.7176.1-178.361.2000111.3R51 D52 T53 L59 W60 I65R51-H55 VanDerWaalsContact O-CB 3.29Å; R51-H55 WeakPolarHBondContact O-CB 3.24Å; R51-H55 PolarHBondContact O-N 3.3Å; D52-H55 PolarHBondContact O-N 2.9Å; T53-H55 VanDerWaalsContact C-N 3.33Å; T53-H55 PolarHBondContact O-N 3Å; H55-L59 WeakPolarHBondContact O-CA 3.41Å; H55-L59 PolarHBondContact O-N 3.3Å; H55-L59 VanDerWaalsContact O-N 3.12Å; H55-W60 PolarHBondContact ND1-O 3.18Å; H55-I65 HydrophobicContact CB-CD1 4.19Å
56F96.5Very high96.8Very high148 Ų14867.3 Ų67.365%0.64934%0.335SS*.Hα-helixtrans-78.5-42.2-178.1-67.6-61.7000113.3D52 T53D52-F56 HydrophobicContact CB-CD2 4.47Å; D52-F56 HydrophobicContact CB-CE2 4.28Å; D52-F56 WeakPolarHBondContact O-CD2 3.49Å; D52-F56 PolarHBondContact O-N 3.05Å; T53-F56 PolarHBondContact O-N 2.81Å
57E96.1Very high96.9Very high112 Ų11269.9 Ų69.952%0.52335%0.35SS..Hα-helixtrans-77.2-42.1-177.5-68-176.4-170.900112.5K38 T53K38-E57 WeakPolarHBondContact CE-OE2 3.42Å; K38-E57 IonicContact NZ-OE1 3.81Å; K38-E57 PolarHBondContact NZ-OE1 2.89Å; K38-E57 IonicContact NZ-OE2 3.66Å; K38-E57 PolarHBondContact NZ-OE2 3.41Å; T53-E57 HydrophobicContact CG2-CG 4.27Å; T53-E57 WeakPolarHBondContact CG2-OE1 3.42Å; T53-E57 VanDerWaalsContact O-CB 3.3Å; T53-E57 WeakPolarHBondContact O-CB 3.3Å; T53-E57 WeakPolarHBondContact O-CG 3.18Å; T53-E57 PolarHBondContact O-N 3.42Å
58M96.2Very high97Very high74 Ų7470.3 Ų70.337%0.36535%0.351SS..Hα-helixtrans-100.8-5.3-173.5-54.8-59.9-63.300113.3V34 L54 W60V34-M58 HydrophobicContact CG1-CE 4.42Å; V34-M58 HydrophobicContact CG1-CG 4.28Å; V34-M58 HydrophobicContact CG1-SD 4.32Å; L54-M58 HydrophobicContact CD2-CG 4.05Å; L54-M58 WeakPolarHBondContact O-CA 3.33Å; L54-M58 VanDerWaalsContact O-CB 3.23Å; L54-M58 WeakPolarHBondContact O-CB 3.45Å; L54-M58 PolarHBondContact O-N 3.36Å; M58-W60 HydrophobicContact CB-CD2 3.68Å; M58-W60 HydrophobicContact CB-CE3 4.29Å; M58-W60 HydrophobicContact CB-CG 3.82Å; M58-W60 HydrophobicContact CB-CZ2 4.04Å; M58-W60 HydrophobicContact CE-CH2 4.33Å; M58-W60 HydrophobicContact CE-CZ2 3.66Å; M58-W60 HydrophobicContact CG-CD2 4.41Å; M58-W60 HydrophobicContact CG-CH2 4.38Å; M58-W60 HydrophobicContact CG-CZ2 4.18Å; M58-W60 PolarHBondContact O-N 2.98Å; M58-W60 PolarHBondContact O-NE1 3.05Å
59L96.5Very high97.1Very high150 Ų15063.7 Ų63.779%0.78532%0.323SS*.  trans55.336-175.2-56.4178.1000112.3H55H55-L59 WeakPolarHBondContact O-CA 3.41Å; H55-L59 PolarHBondContact O-N 3.3Å; H55-L59 VanDerWaalsContact O-N 3.12Å
60W97.5Very high97.1Very high29 Ų2966.4 Ų66.411%0.1133%0.329CS..  trans-93.2142.8179.5-67.6-4.6000111.9E31 V34 V35 L54 H55 M58 K64 I65 I68E31-W60 HydrophobicContact CB-CH2 3.56Å; E31-W60 HydrophobicContact CB-CZ2 3.97Å; E31-W60 HydrophobicContact CB-CZ3 4.09Å; E31-W60 HydrophobicContact CG-CH2 3.83Å; E31-W60 HydrophobicContact CG-CZ2 3.67Å; V34-W60 HydrophobicContact CB-CH2 3.95Å; V34-W60 HydrophobicContact CG1-CH2 3.88Å; V34-W60 HydrophobicContact CG1-CZ3 4.38Å; V34-W60 HydrophobicContact CG2-CH2 4.5Å; V35-W60 HydrophobicContact CG2-CZ3 4.12Å; L54-W60 HydrophobicContact CD2-CZ3 4.17Å; H55-W60 PolarHBondContact ND1-O 3.18Å; M58-W60 HydrophobicContact CB-CD2 3.68Å; M58-W60 HydrophobicContact CB-CE3 4.29Å; M58-W60 HydrophobicContact CB-CG 3.82Å; M58-W60 HydrophobicContact CB-CZ2 4.04Å; M58-W60 HydrophobicContact CE-CH2 4.33Å; M58-W60 HydrophobicContact CE-CZ2 3.66Å; M58-W60 HydrophobicContact CG-CD2 4.41Å; M58-W60 HydrophobicContact CG-CH2 4.38Å; M58-W60 HydrophobicContact CG-CZ2 4.18Å; M58-W60 PolarHBondContact O-N 2.98Å; M58-W60 PolarHBondContact O-NE1 3.05Å; W60-K64 HydrophobicContact CG-CD 4.39Å; W60-I65 HydrophobicContact CB-CD1 4.13Å; W60-I65 HydrophobicContact CB-CG1 3.94Å; W60-I65 HydrophobicContact CE3-CG1 4.16Å; W60-I68 HydrophobicContact CE3-CD1 4.22Å; W60-I68 HydrophobicContact CZ3-CD1 4.12Å
61D97.3Very high97.2Very high109 Ų10972 Ų7258%0.58335%0.353SS*.  trans-62.1139.5171.1-62.6-42.8000111.4S63 K64 I65D61-S63 PolarHBondContact O-N 3.44Å; D61-K64 HydrophobicContact CB-CB 4.32Å; D61-K64 WeakPolarHBondContact O-CB 3.5Å; D61-K64 PolarHBondContact O-N 2.94Å; D61-I65 WeakPolarHBondContact O-CG1 3.35Å; D61-I65 PolarHBondContact O-N 3.04Å
62T95.6Very high97.2Very high69 Ų6968.4 Ų68.442%0.42334%0.339SS..Hα-helixtrans-56.6-36.417853.60000112.3I65 D66T62-I65 PolarHBondContact O-N 3.48Å; T62-D66 PolarHBondContact O-N 2.94Å
63S96.3Very high97.2Very high76 Ų7670.2 Ų70.253%0.53134%0.342SS..Hα-helixtrans-63.9-40.6175.262.10000112.7D61 D66 V67D61-S63 PolarHBondContact O-N 3.44Å; S63-D66 PolarHBondContact O-N 3.44Å; S63-V67 VanDerWaalsContact O-CG2 3.32Å; S63-V67 WeakPolarHBondContact O-CG2 3.13Å; S63-V67 PolarHBondContact O-N 3Å; S63-V67 VanDerWaalsContact O-N 3.07Å
64K97Very high97.2Very high81 Ų8176.1 Ų76.135%0.35237%0.365SS..Hα-helixtrans-63.2-44.7174.2-179.6-175.8176.2-174.30110.2W60 D61 V67 I68W60-K64 HydrophobicContact CG-CD 4.39Å; D61-K64 HydrophobicContact CB-CB 4.32Å; D61-K64 WeakPolarHBondContact O-CB 3.5Å; D61-K64 PolarHBondContact O-N 2.94Å; K64-V67 PolarHBondContact O-N 3.28Å; K64-I68 HydrophobicContact CG-CD1 3.98Å; K64-I68 WeakPolarHBondContact O-CG1 3.28Å; K64-I68 PolarHBondContact O-N 3.03Å
65I98Very high97.1Very high0 Ų080.6 Ų80.60%038%0.384CS..Hα-helixtrans-59.7-48.3178.5-61163.2000110.4R51 L54 H55 W60 D61 T62 V67 I68 I69R51-I65 HydrophobicContact CG-CB 4.46Å; R51-I65 HydrophobicContact CG-CG2 3.87Å; R51-I65 WeakPolarHBondContact O-CD1 3.5Å; L54-I65 HydrophobicContact CB-CD1 3.65Å; L54-I65 HydrophobicContact CB-CG1 4.09Å; L54-I65 HydrophobicContact CB-CG2 4.5Å; L54-I65 HydrophobicContact CD1-CG2 3.73Å; H55-I65 HydrophobicContact CB-CD1 4.19Å; W60-I65 HydrophobicContact CB-CD1 4.13Å; W60-I65 HydrophobicContact CB-CG1 3.94Å; W60-I65 HydrophobicContact CE3-CG1 4.16Å; D61-I65 WeakPolarHBondContact O-CG1 3.35Å; D61-I65 PolarHBondContact O-N 3.04Å; T62-I65 PolarHBondContact O-N 3.48Å; I65-V67 VanDerWaalsContact C-N 3.29Å; I65-V67 PolarHBondContact O-N 2.76Å; I65-I68 PolarHBondContact O-N 3.33Å; I65-I68 VanDerWaalsContact O-N 3.12Å; I65-I69 HydrophobicContact CG2-CD1 3.75Å; I65-I69 HydrophobicContact CG2-CG1 4.29Å; I65-I69 WeakPolarHBondContact O-CG1 3.43Å; I65-I69 PolarHBondContact O-N 2.99Å
66D97.1Very high97.1Very high55 Ų5584.8 Ų84.829%0.29440%0.404SS..Hα-helixtrans-60.6-37.3178-79.8-30.6000112.6R51 T62 S63 R70R51-D66 WeakPolarHBondContact CD-OD1 3.38Å; R51-D66 IonicContact CZ-OD1 3.87Å; R51-D66 IonicContact NH1-OD1 2.91Å; R51-D66 PolarHBondContact NH1-OD1 3.01Å; R51-D66 IonicContact NH1-OD2 3.81Å; T62-D66 PolarHBondContact O-N 2.94Å; S63-D66 PolarHBondContact O-N 3.44Å; D66-R70 WeakPolarHBondContact O-CB 3.3Å; D66-R70 PolarHBondContact O-N 3.35Å
67V98.1Very high97.1Very high71 Ų7178.8 Ų78.843%0.4338%0.378SS..Hα-helixtrans-65.4-42.7174.7169.30000111.3S63 K64 I65 R70 K71S63-V67 VanDerWaalsContact O-CG2 3.32Å; S63-V67 WeakPolarHBondContact O-CG2 3.13Å; S63-V67 PolarHBondContact O-N 3Å; S63-V67 VanDerWaalsContact O-N 3.07Å; K64-V67 PolarHBondContact O-N 3.28Å; I65-V67 VanDerWaalsContact C-N 3.29Å; I65-V67 PolarHBondContact O-N 2.76Å; V67-R70 PolarHBondContact O-N 3.15Å; V67-K71 HydrophobicContact CG1-CD 4.41Å; V67-K71 WeakPolarHBondContact O-CG 3.47Å; V67-K71 PolarHBondContact O-N 3.37Å
68I98.2Very high97.2Very high11 Ų1173.5 Ų73.56%0.05635%0.354CS..Hα-helixtrans-64.6-49.5178.1-66.9163.3000110.3E31 E32 V35 W60 K64 I65 R70 K71 I72E31-I68 HydrophobicContact CB-CD1 3.75Å; E32-I68 HydrophobicContact CB-CG2 4.5Å; E32-I68 HydrophobicContact CG-CG2 4.05Å; V35-I68 HydrophobicContact CB-CG2 4.21Å; V35-I68 HydrophobicContact CG2-CB 4.39Å; V35-I68 HydrophobicContact CG2-CG2 3.57Å; W60-I68 HydrophobicContact CE3-CD1 4.22Å; W60-I68 HydrophobicContact CZ3-CD1 4.12Å; K64-I68 HydrophobicContact CG-CD1 3.98Å; K64-I68 WeakPolarHBondContact O-CG1 3.28Å; K64-I68 PolarHBondContact O-N 3.03Å; I65-I68 PolarHBondContact O-N 3.33Å; I65-I68 VanDerWaalsContact O-N 3.12Å; I68-R70 VanDerWaalsContact C-N 3.25Å; I68-R70 PolarHBondContact O-N 2.83Å; I68-K71 WeakPolarHBondContact O-CA 3.09Å; I68-K71 WeakPolarHBondContact O-CB 3.44Å; I68-K71 PolarHBondContact O-N 2.59Å; I68-I72 HydrophobicContact CG2-CG2 4.46Å; I68-I72 WeakPolarHBondContact O-CG1 3.4Å; I68-I72 PolarHBondContact O-N 3.3Å
69I98Very high97.3Very high4 Ų471.1 Ų71.12%0.02135%0.345CS..Hα-helixtrans-54.9-44.5177.2-69.3170.6000110.5V35 L50 I65 K71 I72 Y73 I78 Y92V35-I69 HydrophobicContact CG1-CG1 3.9Å; L50-I69 HydrophobicContact CD2-CD1 3.77Å; L50-I69 HydrophobicContact CD2-CG1 4.21Å; L50-I69 HydrophobicContact CG-CD1 4.31Å; I65-I69 HydrophobicContact CG2-CD1 3.75Å; I65-I69 HydrophobicContact CG2-CG1 4.29Å; I65-I69 WeakPolarHBondContact O-CG1 3.43Å; I65-I69 PolarHBondContact O-N 2.99Å; I69-K71 VanDerWaalsContact C-N 3.34Å; I69-K71 PolarHBondContact O-N 3.48Å; I69-I72 VanDerWaalsContact O-CG1 3.29Å; I69-I72 WeakPolarHBondContact O-CG1 3.22Å; I69-I72 PolarHBondContact O-N 2.81Å; I69-Y73 VanDerWaalsContact O-CB 3.26Å; I69-Y73 WeakPolarHBondContact O-CB 3.41Å; I69-Y73 PolarHBondContact O-N 2.98Å; I69-I78 HydrophobicContact CG2-CD1 4.32Å; I69-Y92 HydrophobicContact CD1-CE2 4.3Å; I69-Y92 HydrophobicContact CG2-CE1 3.74Å; I69-Y92 HydrophobicContact CG2-CE2 3.97Å; I69-Y92 VanDerWaalsContact CG2-CZ 3.43Å; I69-Y92 WeakPolarHBondContact CG2-OH 3.39Å
70R97.3Very high97.2Very high161 Ų16167.9 Ų67.961%0.60832%0.324SS*.Hα-helixtrans-63-38.8177.2-169.4-178.2-59.4173.92.4112.4D66 V67 I68 K74D66-R70 WeakPolarHBondContact O-CB 3.3Å; D66-R70 PolarHBondContact O-N 3.35Å; V67-R70 PolarHBondContact O-N 3.15Å; I68-R70 VanDerWaalsContact C-N 3.25Å; I68-R70 PolarHBondContact O-N 2.83Å; R70-K74 WeakPolarHBondContact O-CB 3.28Å; R70-K74 WeakPolarHBondContact O-CG 3.41Å; R70-K74 PolarHBondContact O-N 3.26Å
71K97.8Very high97.1Very high117 Ų11770.5 Ų70.551%0.50934%0.34SS..Hα-helixtrans-66.1-50.2177.2-77.2177.6177.6-179.50111.6V67 I68 I69 Y73 K74 K75V67-K71 HydrophobicContact CG1-CD 4.41Å; V67-K71 WeakPolarHBondContact O-CG 3.47Å; V67-K71 PolarHBondContact O-N 3.37Å; I68-K71 WeakPolarHBondContact O-CA 3.09Å; I68-K71 WeakPolarHBondContact O-CB 3.44Å; I68-K71 PolarHBondContact O-N 2.59Å; I69-K71 VanDerWaalsContact C-N 3.34Å; I69-K71 PolarHBondContact O-N 3.48Å; K71-Y73 VanDerWaalsContact C-N 3.32Å; K71-Y73 PolarHBondContact O-N 3.45Å; K71-K74 PolarHBondContact O-N 3.41Å; K71-K75 WeakPolarHBondContact O-CG 3.41Å; K71-K75 PolarHBondContact O-N 3.2Å
72I97.7Very high96.9Very high0 Ų072.3 Ų72.30%034%0.338CS..Hα-helixtrans-67.7-33-17964.5-180000112.2E32 V35 L36 I68 I69 K75 E76 L77 I78E32-I72 HydrophobicContact CB-CG2 3.62Å; E32-I72 HydrophobicContact CG-CG2 3.6Å; V35-I72 HydrophobicContact CB-CD1 3.97Å; V35-I72 HydrophobicContact CG1-CD1 3.51Å; L36-I72 HydrophobicContact CD2-CB 4.39Å; L36-I72 HydrophobicContact CD2-CD1 4.01Å; L36-I72 HydrophobicContact CG-CD1 4.23Å; I68-I72 HydrophobicContact CG2-CG2 4.46Å; I68-I72 WeakPolarHBondContact O-CG1 3.4Å; I68-I72 PolarHBondContact O-N 3.3Å; I69-I72 VanDerWaalsContact O-CG1 3.29Å; I69-I72 WeakPolarHBondContact O-CG1 3.22Å; I69-I72 PolarHBondContact O-N 2.81Å; I72-K75 PolarHBondContact O-N 3.45Å; I72-E76 PolarHBondContact O-N 2.96Å; I72-L77 HydrophobicContact CB-CB 4.38Å; I72-L77 HydrophobicContact CB-CD1 4.3Å; I72-L77 HydrophobicContact CG2-CD1 4.37Å; I72-L77 PolarHBondContact O-N 3.22Å; I72-I78 HydrophobicContact CD1-CD1 3.78Å; I72-I78 HydrophobicContact CD1-CG1 4.37Å; I72-I78 HydrophobicContact CD1-CG2 4.28Å; I72-I78 HydrophobicContact CG1-CD1 3.75Å; I72-I78 HydrophobicContact CG1-CG1 4.07Å
73Y97.3Very high96.7Very high100 Ų10070.1 Ų70.139%0.39233%0.326SS..Hα-helixtrans-64.6-43.6171.4-179.4-102.8000111.7I69 K71 K75 E76 I78 K80I69-Y73 VanDerWaalsContact O-CB 3.26Å; I69-Y73 WeakPolarHBondContact O-CB 3.41Å; I69-Y73 PolarHBondContact O-N 2.98Å; K71-Y73 VanDerWaalsContact C-N 3.32Å; K71-Y73 PolarHBondContact O-N 3.45Å; Y73-K75 VanDerWaalsContact C-N 3.25Å; Y73-K75 PolarHBondContact O-N 3.03Å; Y73-E76 WeakPolarHBondContact O-CA 3.26Å; Y73-E76 PolarHBondContact O-N 3.49Å; Y73-I78 HydrophobicContact CD2-CG1 4.3Å; Y73-K80 HydrophobicContact CD2-CB 3.98Å; Y73-K80 HydrophobicContact CE2-CB 3.48Å; Y73-K80 VanDerWaalsContact CE2-CB 3.48Å
74K97Very high96.4Very high162 Ų16276.1 Ų76.170%0.70435%0.345SS*.Hα-helixtrans-64.4-28.3174.6-79.1-176.7176.8-167.70113.5R70 K71 E76R70-K74 WeakPolarHBondContact O-CB 3.28Å; R70-K74 WeakPolarHBondContact O-CG 3.41Å; R70-K74 PolarHBondContact O-N 3.26Å; K71-K74 PolarHBondContact O-N 3.41Å; K74-E76 PolarHBondContact O-N 3.46Å
75K96.5Very high96.1Very high94 Ų9478.5 Ų78.541%0.40937%0.367SS..THydrogen-bonded Turntrans-793.3172.6-69178.7178-177.30112.8K27 E32 K71 I72 Y73 L77K27-K75 PolarHBondContact O-NZ 3.12Å; E32-K75 WeakPolarHBondContact OE1-CE 3.32Å; E32-K75 IonicContact OE1-NZ 3.35Å; E32-K75 PolarHBondContact OE1-NZ 3.48Å; E32-K75 IonicContact OE2-NZ 2.88Å; E32-K75 PolarHBondContact OE2-NZ 2.9Å; K71-K75 WeakPolarHBondContact O-CG 3.41Å; K71-K75 PolarHBondContact O-N 3.2Å; I72-K75 PolarHBondContact O-N 3.45Å; Y73-K75 VanDerWaalsContact C-N 3.25Å; Y73-K75 PolarHBondContact O-N 3.03Å; K75-L77 HydrophobicContact CB-CD1 3.87Å; K75-L77 HydrophobicContact CB-CG 3.76Å; K75-L77 HydrophobicContact CD-CD1 3.97Å; K75-L77 PolarHBondContact O-N 3.38Å
76E96.6Very high95.7Very high157 Ų15782 Ų8273%0.73439%0.386SS*.THydrogen-bonded Turntrans57.826.9-177-54-174154.200113.6I72 Y73 K74 Q98I72-E76 PolarHBondContact O-N 2.96Å; Y73-E76 WeakPolarHBondContact O-CA 3.26Å; Y73-E76 PolarHBondContact O-N 3.49Å; K74-E76 PolarHBondContact O-N 3.46Å; E76-Q98 WeakPolarHBondContact O-CG 3.39Å; E76-Q98 PolarHBondContact O-NE2 3.42Å
77L97.4Very high95.1Very high22 Ų2286.2 Ų86.212%0.11540%0.404CS..SBendtrans-81.1-27.3179.8-61.1174.4000111.8I28 L36 I72 K75 Y94 L101I28-L77 HydrophobicContact CD1-CD1 3.82Å; I28-L77 HydrophobicContact CD1-CD2 4.36Å; I28-L77 HydrophobicContact CG1-CD1 3.94Å; L36-L77 HydrophobicContact CD1-CB 4.41Å; L36-L77 HydrophobicContact CD1-CD1 3.94Å; L36-L77 HydrophobicContact CD2-CB 3.72Å; I72-L77 HydrophobicContact CB-CB 4.38Å; I72-L77 HydrophobicContact CB-CD1 4.3Å; I72-L77 HydrophobicContact CG2-CD1 4.37Å; I72-L77 PolarHBondContact O-N 3.22Å; K75-L77 HydrophobicContact CB-CD1 3.87Å; K75-L77 HydrophobicContact CB-CG 3.76Å; K75-L77 HydrophobicContact CD-CD1 3.97Å; K75-L77 PolarHBondContact O-N 3.38Å; L77-Y94 WeakPolarHBondContact O-CD1 3.34Å; L77-Y94 WeakPolarHBondContact O-CE1 3.29Å; L77-L101 HydrophobicContact CD2-CD2 3.71Å
78I97.7Very high94.5Very high2 Ų292.9 Ų92.91%0.0142%0.421CS..SBendtrans-128.1156.617759.8173.1000111.4L36 I69 I72 Y73 Y92 Y94 Q98L36-I78 HydrophobicContact CD2-CG2 3.41Å; L36-I78 VanDerWaalsContact CD2-CG2 3.41Å; I69-I78 HydrophobicContact CG2-CD1 4.32Å; I72-I78 HydrophobicContact CD1-CD1 3.78Å; I72-I78 HydrophobicContact CD1-CG1 4.37Å; I72-I78 HydrophobicContact CD1-CG2 4.28Å; I72-I78 HydrophobicContact CG1-CD1 3.75Å; I72-I78 HydrophobicContact CG1-CG1 4.07Å; Y73-I78 HydrophobicContact CD2-CG1 4.3Å; I78-Y92 HydrophobicContact CD1-CD1 3.68Å; I78-Y92 HydrophobicContact CD1-CE1 4.19Å; I78-Y92 HydrophobicContact CD1-CG 4.22Å; I78-Y94 HydrophobicContact CG2-CD1 4.38Å; I78-Y94 HydrophobicContact CG2-CE1 3.63Å; I78-Q98 VanDerWaalsContact C-NE2 3.3Å; I78-Q98 PolarHBondContact O-NE2 2.67Å
79S97.8Very high94.3Very high24 Ų2495.9 Ų95.917%0.16844%0.435CS..EExtended strand (participates in β ladder)trans-100.9155.7170.7-63.20000110.8Y92 F93 Q98S79-Y92 WeakPolarHBondContact O-CA 3.36Å; S79-F93 WeakPolarHBondContact CA-O 3.39Å; S79-F93 WeakPolarHBondContact CB-O 3.37Å; S79-F93 PolarHBondContact N-O 3.02Å; S79-F93 PolarHBondContact O-N 2.9Å; S79-Q98 PolarHBondContact OG-OE1 3.39Å
80K96Very high94.2Very high81 Ų8196.9 Ų96.935%0.35244%0.441SS..EExtended strand (participates in β ladder)trans-132.8132.1-177.9-174.1-17473.3179.50110.5Y73 V90 F91 Y92Y73-K80 HydrophobicContact CD2-CB 3.98Å; Y73-K80 HydrophobicContact CE2-CB 3.48Å; Y73-K80 VanDerWaalsContact CE2-CB 3.48Å; K80-V90 HydrophobicContact CD-CG1 3.62Å; K80-V90 HydrophobicContact CG-CG1 3.34Å; K80-F91 WeakPolarHBondContact CA-O 3.47Å; K80-Y92 HydrophobicContact CB-CD1 4.22Å; K80-Y92 HydrophobicContact CB-CE1 4.16Å; K80-Y92 HydrophobicContact CD-CE1 4.05Å; K80-Y92 HydrophobicContact CG-CD1 4.19Å; K80-Y92 HydrophobicContact CG-CE1 3.8Å
81L94.7Very high94.2Very high84 Ų8491.1 Ų91.144%0.4442%0.42SS..EExtended strand (participates in β ladder)trans-123.8135.5172.3-173.877.3000109.3V90 F91 F93L81-V90 CarbonylContact O-C 3.21Å; L81-V90 WeakPolarHBondContact O-CA 3.39Å; L81-F91 PolarHBondContact N-O 3.12Å; L81-F91 PolarHBondContact O-N 2.99Å; L81-F93 HydrophobicContact CB-CE1 3.79Å
82R93.2Very high94.2Very high147 Ų14786.6 Ų86.656%0.55540%0.401SS*.EExtended strand (participates in β ladder)trans-87.9142.2166.3-75.8-174.2-177.1-104.57.6109E87 V90R82-E87 PolarHBondContact NH1-O 3.28Å; R82-V90 HydrophobicContact CG-CG2 4.3Å
83S91.8Very high94.2Very high23 Ų2389.6 Ų89.616%0.16141%0.414CS..  trans-63144.8173-1660000110.3T85 D86 Q89S83-T85 PolarHBondContact OG-N 3.07Å; S83-T85 PolarHBondContact OG-OG1 3.25Å; S83-D86 VanDerWaalsContact CB-O 3.28Å; S83-D86 WeakPolarHBondContact CB-O 3.38Å; S83-Q89 PolarHBondContact N-O 3.33Å
84E89.3Confident94.2Very high202 Ų20286 Ų8694%0.94440%0.4SS*.SBendtrans-76.5-27.7174.2-64.6178.6-177.300111.8
85T90.6Very high94.2Very high132 Ų13280.2 Ų80.281%0.8138%0.379SS*.SBendtrans-92.2-29.1-177.153.20000113.6S83S83-T85 PolarHBondContact OG-N 3.07Å; S83-T85 PolarHBondContact OG-OG1 3.25Å
86D89.6Confident94.2Very high73 Ų7380.9 Ų80.939%0.3939%0.392SS..  trans-136.7101.4176.2-178.5-2.8000109.9S83 R88 Q89S83-D86 VanDerWaalsContact CB-O 3.28Å; S83-D86 WeakPolarHBondContact CB-O 3.38Å; D86-R88 PolarHBondContact O-N 3.03Å; D86-R88 VanDerWaalsContact OD1-CB 3.26Å; D86-R88 WeakPolarHBondContact OD1-CB 3.4Å; D86-R88 PolarHBondContact OD1-N 3.21Å; D86-Q89 HydrophobicContact CB-CB 4.17Å; D86-Q89 WeakPolarHBondContact O-CB 3.36Å; D86-Q89 PolarHBondContact O-N 3.38Å
87E84.3Confident94.2Very high143 Ų14377.6 Ų77.667%0.66839%0.386SS*.THydrogen-bonded Turntrans-57.7-20.2-179.663.5179.9-167.300114.3R82 Q89R82-E87 PolarHBondContact NH1-O 3.28Å; E87-Q89 VanDerWaalsContact C-N 3.35Å
88R86.4Confident94.2Very high212 Ų21277.6 Ų77.680%0.839%0.385SS*.THydrogen-bonded Turntrans-80.1-21176.6-58-177.6173.7-175.6-1.2111.9D86D86-R88 PolarHBondContact O-N 3.03Å; D86-R88 VanDerWaalsContact OD1-CB 3.26Å; D86-R88 WeakPolarHBondContact OD1-CB 3.4Å; D86-R88 PolarHBondContact OD1-N 3.21Å
89Q92.5Very high94.1Very high73 Ų7381.2 Ų81.234%0.34140%0.401SS..  trans-83.8127.3177.8-164.1176.726.100110.6S83 D86 E87 F91S83-Q89 PolarHBondContact N-O 3.33Å; D86-Q89 HydrophobicContact CB-CB 4.17Å; D86-Q89 WeakPolarHBondContact O-CB 3.36Å; D86-Q89 PolarHBondContact O-N 3.38Å; E87-Q89 VanDerWaalsContact C-N 3.35Å; Q89-F91 VanDerWaalsContact CD-CZ 3.4Å; Q89-F91 HydrophobicContact CG-CE2 3.88Å; Q89-F91 HydrophobicContact CG-CZ 3.87Å
90V95.8Very high94.1Very high26 Ų2686.8 Ų86.816%0.15842%0.422CS..EExtended strand (participates in β ladder)trans-122139.2179.3179.50000108.1S46 G47 K80 L81 R82 Y92S46-V90 CarbonylContact C-O 3.58Å; S46-V90 WeakPolarHBondContact CA-O 3.27Å; G47-V90 PolarHBondContact N-O 2.97Å; K80-V90 HydrophobicContact CD-CG1 3.62Å; K80-V90 HydrophobicContact CG-CG1 3.34Å; L81-V90 CarbonylContact O-C 3.21Å; L81-V90 WeakPolarHBondContact O-CA 3.39Å; R82-V90 HydrophobicContact CG-CG2 4.3Å; V90-Y92 HydrophobicContact CG1-CE1 4.06Å; V90-Y92 HydrophobicContact CG1-CE2 4.32Å
91F97.4Very high94Very high39 Ų3986.2 Ų86.217%0.17142%0.422CS..EExtended strand (participates in β ladder)trans-116.8141.2174.2-62.1-85.9000110.7K44 I45 K80 L81 Q89K44-F91 HydrophobicContact CG-CB 4.25Å; K44-F91 HydrophobicContact CG-CD1 4.36Å; I45-F91 CarbonylContact O-C 3.54Å; I45-F91 WeakPolarHBondContact O-CA 3.23Å; K80-F91 WeakPolarHBondContact CA-O 3.47Å; L81-F91 PolarHBondContact N-O 3.12Å; L81-F91 PolarHBondContact O-N 2.99Å; Q89-F91 VanDerWaalsContact CD-CZ 3.4Å; Q89-F91 HydrophobicContact CG-CE2 3.88Å; Q89-F91 HydrophobicContact CG-CZ 3.87Å
92Y98.1Very high94.1Very high23 Ų2382.4 Ų82.49%0.0940%0.403CS..EExtended strand (participates in β ladder)trans-113139.2173.6-59.2-68.3000110K44 I45 L50 I69 I78 S79 K80 V90K44-Y92 WeakPolarHBondContact CA-O 3.45Å; I45-Y92 PolarHBondContact N-O 3.12Å; I45-Y92 PolarHBondContact O-N 3.39Å; L50-Y92 HydrophobicContact CD2-CD2 3.8Å; L50-Y92 HydrophobicContact CD2-CE2 4.33Å; I69-Y92 HydrophobicContact CD1-CE2 4.3Å; I69-Y92 HydrophobicContact CG2-CE1 3.74Å; I69-Y92 HydrophobicContact CG2-CE2 3.97Å; I69-Y92 VanDerWaalsContact CG2-CZ 3.43Å; I69-Y92 WeakPolarHBondContact CG2-OH 3.39Å; I78-Y92 HydrophobicContact CD1-CD1 3.68Å; I78-Y92 HydrophobicContact CD1-CE1 4.19Å; I78-Y92 HydrophobicContact CD1-CG 4.22Å; S79-Y92 WeakPolarHBondContact O-CA 3.36Å; K80-Y92 HydrophobicContact CB-CD1 4.22Å; K80-Y92 HydrophobicContact CB-CE1 4.16Å; K80-Y92 HydrophobicContact CD-CE1 4.05Å; K80-Y92 HydrophobicContact CG-CD1 4.19Å; K80-Y92 HydrophobicContact CG-CE1 3.8Å; V90-Y92 HydrophobicContact CG1-CE1 4.06Å; V90-Y92 HydrophobicContact CG1-CE2 4.32Å
93F98.1Very high94.2Very high62 Ų6277.5 Ų77.527%0.27239%0.387SS..EExtended strand (participates in β ladder)trans-160.1173.5-176.864.6-77.1000109.9K44 S79 L81K44-F93 HydrophobicContact CB-CB 4.23Å; K44-F93 HydrophobicContact CG-CB 4.3Å; S79-F93 WeakPolarHBondContact CA-O 3.39Å; S79-F93 WeakPolarHBondContact CB-O 3.37Å; S79-F93 PolarHBondContact N-O 3.02Å; S79-F93 PolarHBondContact O-N 2.9Å; L81-F93 HydrophobicContact CB-CE1 3.79Å
94Y97.9Very high94.4Very high26 Ų2681.9 Ų81.910%0.10240%0.404CS..  trans-104.3135.3175-67.8-64.8000112.4L36 V39 Y40 L77 I78 Q98 L102L36-Y94 WeakPolarHBondContact CA-OH 3.45Å; L36-Y94 VanDerWaalsContact CB-OH 3.3Å; L36-Y94 WeakPolarHBondContact CB-OH 3.49Å; L36-Y94 HydrophobicContact CD2-CE1 4.14Å; L36-Y94 VanDerWaalsContact CD2-OH 3.28Å; L36-Y94 WeakPolarHBondContact CD2-OH 3.38Å; L36-Y94 PolarHBondContact O-OH 3.01Å; V39-Y94 HydrophobicContact CB-CE2 3.93Å; V39-Y94 HydrophobicContact CG1-CD2 4.18Å; V39-Y94 HydrophobicContact CG1-CE2 3.75Å; Y40-Y94 HydrophobicContact CD2-CE2 4.44Å; L77-Y94 WeakPolarHBondContact O-CD1 3.34Å; L77-Y94 WeakPolarHBondContact O-CE1 3.29Å; I78-Y94 HydrophobicContact CG2-CD1 4.38Å; I78-Y94 HydrophobicContact CG2-CE1 3.63Å; Y94-Q98 HydrophobicContact CD1-CB 3.58Å; Y94-Q98 HydrophobicContact CE1-CB 4.42Å; Y94-Q98 HydrophobicContact CG-CB 4.36Å; Y94-L102 HydrophobicContact CE1-CD2 3.94Å; Y94-L102 HydrophobicContact CE2-CD2 3.71Å; Y94-L102 WeakPolarHBondContact OH-CD2 3.45Å
95S97Very high94.7Very high39 Ų3972.4 Ų72.427%0.27336%0.359SS..  trans-70.2167.7156.8660000110.4S97 Q98 K99S95-S97 VanDerWaalsContact C-N 3.3Å; S95-S97 PolarHBondContact O-N 2.72Å; S95-S97 PolarHBondContact OG-OG 3.12Å; S95-Q98 PolarHBondContact O-N 3.28Å; S95-Q98 VanDerWaalsContact OG-CD 3.24Å; S95-Q98 VanDerWaalsContact OG-CG 3.3Å; S95-Q98 WeakPolarHBondContact OG-CG 3.3Å; S95-Q98 PolarHBondContact OG-OE1 2.91Å; S95-K99 WeakPolarHBondContact O-CB 3.03Å; S95-K99 PolarHBondContact O-N 2.95Å
96T96.3Very high94.9Very high109 Ų10967.2 Ų67.267%0.66933%0.327SS*.Hα-helixtrans-58.1-39.8-179.5-48.20000113K100T96-K100 WeakPolarHBondContact O-CG 3.37Å; T96-K100 PolarHBondContact O-N 3.47Å; T96-K100 VanDerWaalsContact O-N 3.13Å
97S95.7Very high95.1Very high87 Ų8770.9 Ų70.961%0.60834%0.34SS*.Hα-helixtrans-68.6-41.7178.851.10000111.8S95 K100 L101S95-S97 VanDerWaalsContact C-N 3.3Å; S95-S97 PolarHBondContact O-N 2.72Å; S95-S97 PolarHBondContact OG-OG 3.12Å; S97-K100 PolarHBondContact O-N 3Å; S97-L101 PolarHBondContact O-N 2.92Å; S97-L101 VanDerWaalsContact O-N 3.12Å
98Q97.3Very high95.5Very high22 Ų2266.6 Ų66.610%0.10332%0.32CS..Hα-helixtrans-68.1-40.9178.2-64.2164.3-29.200111.7E76 I78 S79 Y94 S95 K100 L101 L102E76-Q98 WeakPolarHBondContact O-CG 3.39Å; E76-Q98 PolarHBondContact O-NE2 3.42Å; I78-Q98 VanDerWaalsContact C-NE2 3.3Å; I78-Q98 PolarHBondContact O-NE2 2.67Å; S79-Q98 PolarHBondContact OG-OE1 3.39Å; Y94-Q98 HydrophobicContact CD1-CB 3.58Å; Y94-Q98 HydrophobicContact CE1-CB 4.42Å; Y94-Q98 HydrophobicContact CG-CB 4.36Å; S95-Q98 PolarHBondContact O-N 3.28Å; S95-Q98 VanDerWaalsContact OG-CD 3.24Å; S95-Q98 VanDerWaalsContact OG-CG 3.3Å; S95-Q98 WeakPolarHBondContact OG-CG 3.3Å; S95-Q98 PolarHBondContact OG-OE1 2.91Å; Q98-K100 VanDerWaalsContact C-N 3.35Å; Q98-K100 PolarHBondContact O-N 3.21Å; Q98-L101 WeakPolarHBondContact O-CB 3.36Å; Q98-L101 PolarHBondContact O-N 3.23Å; Q98-L102 PolarHBondContact O-N 2.86Å; Q98-L102 VanDerWaalsContact O-N 3.08Å
99K97.2Very high95.8Very high79 Ų7958.5 Ų58.534%0.34329%0.292SS..Hα-helixtrans-60.2-45.2175.6-169.3168.4-176.51690110.8Y40 E43 S95 L101 L102 D103Y40-K99 HydrophobicContact CE2-CG 4.39Å; E43-K99 IonicContact OE1-NZ 2.9Å; S95-K99 WeakPolarHBondContact O-CB 3.03Å; S95-K99 PolarHBondContact O-N 2.95Å; K99-L101 VanDerWaalsContact C-N 3.32Å; K99-L101 PolarHBondContact O-N 3.29Å; K99-L102 PolarHBondContact O-N 2.77Å; K99-L102 VanDerWaalsContact O-N 3.1Å; K99-D103 WeakPolarHBondContact O-CB 3.48Å; K99-D103 VanDerWaalsContact O-CG 3.22Å; K99-D103 PolarHBondContact O-N 2.91Å
100K96.5Very high95.6Very high140 Ų14063 Ų6361%0.60931%0.313SS*.Hα-helixtrans-58.8-39.2175-77.7-180179.7-177.90113.5T96 S97 Q98 L102 K104T96-K100 WeakPolarHBondContact O-CG 3.37Å; T96-K100 PolarHBondContact O-N 3.47Å; T96-K100 VanDerWaalsContact O-N 3.13Å; S97-K100 PolarHBondContact O-N 3Å; Q98-K100 VanDerWaalsContact C-N 3.35Å; Q98-K100 PolarHBondContact O-N 3.21Å; K100-L102 VanDerWaalsContact C-N 3.33Å; K100-K104 WeakPolarHBondContact O-CB 3.44Å; K100-K104 PolarHBondContact O-N 2.79Å
101L95Very high95.3Very high69 Ų6967.3 Ų67.336%0.36134%0.339SS..Hα-helixtrans-62.2-45175.7174.663.4000110.4L77 S97 Q98 K99 K104 I105L77-L101 HydrophobicContact CD2-CD2 3.71Å; S97-L101 PolarHBondContact O-N 2.92Å; S97-L101 VanDerWaalsContact O-N 3.12Å; Q98-L101 WeakPolarHBondContact O-CB 3.36Å; Q98-L101 PolarHBondContact O-N 3.23Å; K99-L101 VanDerWaalsContact C-N 3.32Å; K99-L101 PolarHBondContact O-N 3.29Å; L101-K104 WeakPolarHBondContact O-CB 3.44Å; L101-K104 PolarHBondContact O-N 2.79Å; L101-I105 HydrophobicContact CD1-CD1 4.22Å; L101-I105 HydrophobicContact CG-CD1 4.07Å; L101-I105 WeakPolarHBondContact O-CG1 3.46Å; L101-I105 PolarHBondContact O-N 3.28Å
102L96Very high94.6Very high5 Ų568.7 Ų68.73%0.02635%0.348CS..Hα-helixtrans-74.4-35.6-177.2-160.842.7000112.6F33 L36 Y40 Y94 Q98 K99 K100 K104 I105 T106F33-L102 HydrophobicContact CD2-CD1 4.33Å; F33-L102 HydrophobicContact CE2-CD1 3.92Å; L36-L102 HydrophobicContact CB-CD2 3.9Å; Y40-L102 HydrophobicContact CD2-CB 4.35Å; Y40-L102 HydrophobicContact CD2-CD2 4.19Å; Y40-L102 HydrophobicContact CD2-CG 4.14Å; Y40-L102 HydrophobicContact CG-CD2 4.3Å; Y40-L102 HydrophobicContact CG-CG 4.43Å; Y94-L102 HydrophobicContact CE1-CD2 3.94Å; Y94-L102 HydrophobicContact CE2-CD2 3.71Å; Y94-L102 WeakPolarHBondContact OH-CD2 3.45Å; Q98-L102 PolarHBondContact O-N 2.86Å; Q98-L102 VanDerWaalsContact O-N 3.08Å; K99-L102 PolarHBondContact O-N 2.77Å; K99-L102 VanDerWaalsContact O-N 3.1Å; K100-L102 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 3.24Å; L102-I105 HydrophobicContact CD1-CB 4.21Å; L102-I105 HydrophobicContact CD1-CD1 4.26Å; L102-I105 HydrophobicContact CD1-CG2 4.47Å; L102-I105 PolarHBondContact O-N 3.23Å; L102-T106 WeakPolarHBondContact O-CG2 3.38Å; L102-T106 PolarHBondContact O-N 2.89Å; L102-T106 PolarHBondContact O-OG1 3.32Å; L102-T106 VanDerWaalsContact O-OG1 3.07Å
103D96.2Very high93Very high44 Ų4472.2 Ų72.224%0.23538%0.376CS..Hα-helixtrans-56.1-38.5167.9-69.9-29.4000111.8Y40 K99 T106 K107Y40-D103 VanDerWaalsContact CE2-OD1 3.24Å; Y40-D103 WeakPolarHBondContact CE2-OD1 3.35Å; Y40-D103 PolarHBondContact OH-OD1 3.41Å; K99-D103 WeakPolarHBondContact O-CB 3.48Å; K99-D103 VanDerWaalsContact O-CG 3.22Å; K99-D103 PolarHBondContact O-N 2.91Å; D103-T106 WeakPolarHBondContact CA-OG1 3.49Å; D103-T106 PolarHBondContact O-OG1 3.14Å; D103-T106 VanDerWaalsContact O-OG1 3.06Å; D103-K107 WeakPolarHBondContact O-CB 3.02Å; D103-K107 VanDerWaalsContact O-CG 3.23Å; D103-K107 WeakPolarHBondContact O-CG 3.45Å; D103-K107 PolarHBondContact O-N 3.15Å; D103-K107 VanDerWaalsContact O-N 3.16Å
104K95.2Very high91.3Very high115 Ų11571.8 Ų71.850%0.538%0.378SS..Hα-helixtrans-68.4-48.3176.5177.3-178.6170.8-178.60110.7K100 L101 L102 T106 K107 E108K100-K104 WeakPolarHBondContact O-CB 3.44Å; K100-K104 PolarHBondContact O-N 2.79Å; L101-K104 WeakPolarHBondContact O-CB 3.44Å; L101-K104 PolarHBondContact O-N 2.79Å; L102-K104 PolarHBondContact O-N 3.24Å; K104-T106 PolarHBondContact O-N 3.25Å; K104-K107 PolarHBondContact O-N 2.88Å; K104-E108 WeakPolarHBondContact CE-OE1 3.4Å; K104-E108 HydrophobicContact CG-CG 4.44Å; K104-E108 IonicContact NZ-OE1 3.79Å; K104-E108 WeakPolarHBondContact O-CB 3.17Å; K104-E108 VanDerWaalsContact O-CG 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.13Å; K104-E108 PolarHBondContact O-N 3.01Å
105I95.3Very high89.3Confident2 Ų275.7 Ų75.71%0.0141%0.405CS..Hα-helixtrans-60-45.8179.7-67167.3000110.6W21 L22 I28 F33 L101 L102 E108 I109W21-I105 HydrophobicContact CH2-CG2 4.13Å; W21-I105 HydrophobicContact CZ3-CG2 4.06Å; L22-I105 HydrophobicContact CD2-CG2 4.16Å; I28-I105 HydrophobicContact CD1-CD1 4.15Å; F33-I105 HydrophobicContact CD2-CG2 4.13Å; F33-I105 HydrophobicContact CE2-CG2 3.65Å; L101-I105 HydrophobicContact CD1-CD1 4.22Å; L101-I105 HydrophobicContact CG-CD1 4.07Å; L101-I105 WeakPolarHBondContact O-CG1 3.46Å; L101-I105 PolarHBondContact O-N 3.28Å; L102-I105 HydrophobicContact CD1-CB 4.21Å; L102-I105 HydrophobicContact CD1-CD1 4.26Å; L102-I105 HydrophobicContact CD1-CG2 4.47Å; L102-I105 PolarHBondContact O-N 3.23Å; I105-E108 PolarHBondContact O-N 3.39Å; I105-I109 HydrophobicContact CG2-CD1 3.89Å; I105-I109 VanDerWaalsContact O-CG1 3.29Å; I105-I109 WeakPolarHBondContact O-CG1 3.29Å; I105-I109 PolarHBondContact O-N 3.37Å
106T94.3Very high86.9Confident24 Ų2483 Ų8315%0.14744%0.441CS..Hα-helixtrans-63.7-43.8179.852.60000111.7F37 L102 D103 K104 E108 I109 E110F37-T106 HydrophobicContact CD2-CG2 4.05Å; F37-T106 HydrophobicContact CE2-CG2 3.79Å; L102-T106 WeakPolarHBondContact O-CG2 3.38Å; L102-T106 PolarHBondContact O-N 2.89Å; L102-T106 PolarHBondContact O-OG1 3.32Å; L102-T106 VanDerWaalsContact O-OG1 3.07Å; D103-T106 WeakPolarHBondContact CA-OG1 3.49Å; D103-T106 PolarHBondContact O-OG1 3.14Å; D103-T106 VanDerWaalsContact O-OG1 3.06Å; K104-T106 PolarHBondContact O-N 3.25Å; T106-E108 VanDerWaalsContact C-N 3.34Å; T106-E108 PolarHBondContact O-N 3.23Å; T106-I109 PolarHBondContact O-N 2.88Å; T106-E110 PolarHBondContact O-N 2.92Å; T106-E110 VanDerWaalsContact O-N 3.16Å
107K94Very high86.5Confident150 Ų15081.7 Ų81.765%0.65243%0.43SS*.Hα-helixtrans-61.8-39.5174-75.3175.1-176.7179.30113.2D103 K104 I109 E110D103-K107 WeakPolarHBondContact O-CB 3.02Å; D103-K107 VanDerWaalsContact O-CG 3.23Å; D103-K107 WeakPolarHBondContact O-CG 3.45Å; D103-K107 PolarHBondContact O-N 3.15Å; D103-K107 VanDerWaalsContact O-N 3.16Å; K104-K107 PolarHBondContact O-N 2.88Å; K107-I109 VanDerWaalsContact C-N 3.3Å; K107-E110 PolarHBondContact O-N 2.99Å
108E94Very high86Confident53 Ų5381.4 Ų81.425%0.24842%0.42CS..Hα-helixtrans-64.9-35.8176.5-75.317417400111.6W21 H26 K104 I105 T106 V111 L112W21-E108 HydrophobicContact CH2-CB 3.7Å; W21-E108 WeakPolarHBondContact CH2-OE2 3.43Å; W21-E108 HydrophobicContact CZ2-CB 3.61Å; W21-E108 HydrophobicContact CZ2-CG 4.37Å; W21-E108 WeakPolarHBondContact CZ2-OE2 3.28Å; H26-E108 IonicContact CE1-OE2 2.67Å; H26-E108 PolarHBondContact CE1-OE2 3.44Å; H26-E108 IonicContact NE2-OE2 3.61Å; H26-E108 PolarHBondContact NE2-OE2 3.42Å; K104-E108 WeakPolarHBondContact CE-OE1 3.4Å; K104-E108 HydrophobicContact CG-CG 4.44Å; K104-E108 IonicContact NZ-OE1 3.79Å; K104-E108 WeakPolarHBondContact O-CB 3.17Å; K104-E108 VanDerWaalsContact O-CG 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.13Å; K104-E108 PolarHBondContact O-N 3.01Å; I105-E108 PolarHBondContact O-N 3.39Å; T106-E108 VanDerWaalsContact C-N 3.34Å; T106-E108 PolarHBondContact O-N 3.23Å; E108-V111 VanDerWaalsContact O-CG2 3.26Å; E108-V111 WeakPolarHBondContact O-CG2 3.26Å; E108-V111 PolarHBondContact O-N 2.87Å; E108-L112 WeakPolarHBondContact O-CG 3.48Å; E108-L112 PolarHBondContact O-N 3.15Å; E108-L112 VanDerWaalsContact O-N 3.12Å
109I92.8Very high85.3Confident42 Ų4284.7 Ų84.722%0.21544%0.438CS..Hα-helixtrans-66.3-39.9176-67.9166.1000111.8L18 W21 F33 I105 T106 K107 V111 L112L18-I109 HydrophobicContact CD1-CD1 3.85Å; L18-I109 HydrophobicContact CD1-CG1 3.77Å; L18-I109 HydrophobicContact CD1-CG2 4.39Å; W21-I109 HydrophobicContact CE3-CG1 4.38Å; W21-I109 HydrophobicContact CH2-CG1 4.11Å; W21-I109 HydrophobicContact CZ3-CD1 4.11Å; W21-I109 HydrophobicContact CZ3-CG1 3.64Å; F33-I109 HydrophobicContact CE1-CD1 4Å; F33-I109 HydrophobicContact CE2-CD1 3.88Å; F33-I109 HydrophobicContact CZ-CD1 3.45Å; F33-I109 VanDerWaalsContact CZ-CD1 3.45Å; I105-I109 HydrophobicContact CG2-CD1 3.89Å; I105-I109 VanDerWaalsContact O-CG1 3.29Å; I105-I109 WeakPolarHBondContact O-CG1 3.29Å; I105-I109 PolarHBondContact O-N 3.37Å; T106-I109 PolarHBondContact O-N 2.88Å; K107-I109 VanDerWaalsContact C-N 3.3Å; I109-V111 PolarHBondContact O-N 2.81Å; I109-L112 HydrophobicContact CB-CD1 4.39Å; I109-L112 HydrophobicContact CG1-CD1 4.07Å; I109-L112 WeakPolarHBondContact O-CB 3.43Å; I109-L112 PolarHBondContact O-N 3.48Å
110E88.7Confident84.7Confident167 Ų16785.1 Ų85.178%0.7844%0.443SS*.Hα-helixtrans-62.4-26.2178.1-68-64.1153.500113.4T106 K107T106-E110 PolarHBondContact O-N 2.92Å; T106-E110 VanDerWaalsContact O-N 3.16Å; K107-E110 PolarHBondContact O-N 2.99Å
111V87.6Confident83.9Confident116 Ų11681.6 Ų81.670%0.70343%0.433SS*.THydrogen-bonded Turntrans-101.6-2.1178.8-59.10000113.4E108 I109 S113E108-V111 VanDerWaalsContact O-CG2 3.26Å; E108-V111 WeakPolarHBondContact O-CG2 3.26Å; E108-V111 PolarHBondContact O-N 2.87Å; I109-V111 PolarHBondContact O-N 2.81Å; V111-S113 PolarHBondContact O-N 2.87Å
112L82.8Confident83.2Confident69 Ų6982.5 Ų82.536%0.36144%0.438SS..  trans-65.8105174.8-89.3160.9000108.6L18 W21 E108 I109 V114L18-L112 HydrophobicContact CD1-CD1 4.44Å; W21-L112 HydrophobicContact CD2-CD1 3.6Å; W21-L112 HydrophobicContact CD2-CD2 4.47Å; W21-L112 HydrophobicContact CE3-CD1 3.75Å; W21-L112 HydrophobicContact CG-CD1 3.98Å; W21-L112 HydrophobicContact CG-CD2 4.14Å; W21-L112 HydrophobicContact CH2-CD1 4.36Å; W21-L112 HydrophobicContact CZ2-CD1 4.25Å; W21-L112 HydrophobicContact CZ3-CD1 4.13Å; E108-L112 WeakPolarHBondContact O-CG 3.48Å; E108-L112 PolarHBondContact O-N 3.15Å; E108-L112 VanDerWaalsContact O-N 3.12Å; I109-L112 HydrophobicContact CB-CD1 4.39Å; I109-L112 HydrophobicContact CG1-CD1 4.07Å; I109-L112 WeakPolarHBondContact O-CB 3.43Å; I109-L112 PolarHBondContact O-N 3.48Å; L112-V114 PolarHBondContact O-N 3.01Å
113S66Low82.3Confident97 Ų9788 Ų8868%0.67847%0.467SS*.  trans-72.1123.9169.849.50000109.4V111 T115V111-S113 PolarHBondContact O-N 2.87Å; S113-T115 PolarHBondContact O-N 3.13Å
114V62Low81.2Confident53 Ų5391.4 Ų91.432%0.32149%0.485SS..  trans-65.9107.3172.6-178.30000107E14 Q17 L112 N116E14-V114 HydrophobicContact CB-CG2 4.45Å; E14-V114 HydrophobicContact CG-CB 4.41Å; E14-V114 HydrophobicContact CG-CG1 3.89Å; E14-V114 HydrophobicContact CG-CG2 3.65Å; Q17-V114 VanDerWaalsContact OE1-CA 3.28Å; L112-V114 PolarHBondContact O-N 3.01Å; V114-N116 PolarHBondContact O-N 2.93Å; V114-N116 VanDerWaalsContact O-N 3.16Å
115T56Low80Confident108 Ų10889.4 Ų89.466%0.66348%0.484SS*.  trans-67115.6175.6-1.60000108.2Q17 S113Q17-T115 PolarHBondContact NE2-O 3.22Å; S113-T115 PolarHBondContact O-N 3.13Å
116N46.9Very low78.6Confident192 Ų19297.4 Ų97.4100%1.02753%0.527SS*.  trans-69.70177.6-82.5-34.8000112.7V114V114-N116 PolarHBondContact O-N 2.93Å; V114-N116 VanDerWaalsContact O-N 3.16Å

Retrieved 116 of 116 residues in 23.3 ms (Link to these results)

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