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HTH-type transcriptional regulator SarV

Part of the pathway by which MgrA and SarA control autolysis.

AlphaFold DB (Q2FVY9), UniProt , Accession Q99S05, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), 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 242 ms (Link to these results)

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