A0A077ZH51_TRITR Loading...

Transcription elongation factor SPT4

Component of the DRB sensitivity-inducing factor complex (DSIF complex), which regulates transcription elongation by RNA polymerase II.

AlphaFold DB , UniProt , Accession A0A077ZH51, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 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
1M48.2Very low85.5Confident242 Ų242109.7 Ų109.7100%1.19254%0.542SS*.  0120.50-153.2177.6-115.700105.3E3M1-E3 PolarHBondContact O-N 3.33Å
2V60.3Low86.6Confident91 Ų91102.3 Ų102.355%0.55251%0.506SS*.  trans-67.1130.2179.7178.20000108.1I4 D30V2-I4 PolarHBondContact O-N 2.97Å; V2-D30 HydrophobicContact CG1-CB 3.92Å
3E83Confident87.5Confident96 Ų9696.6 Ų96.645%0.44948%0.475SS..  trans-89.890.9-173.4-158.6171.9175.100108.9M1 V5 K7 Q26M1-E3 PolarHBondContact O-N 3.33Å; E3-V5 VanDerWaalsContact C-N 3.32Å; E3-K7 WeakPolarHBondContact OE1-CE 3.33Å; E3-K7 WeakPolarHBondContact OE2-CE 3.23Å; E3-K7 IonicContact OE2-NZ 3.59Å; E3-K7 PolarHBondContact OE2-NZ 3.38Å; E3-K7 VanDerWaalsContact OE2-NZ 3.07Å; E3-Q26 PolarHBondContact O-NE2 3.06Å
4I92.8Very high88.3Confident32 Ų3289.7 Ų89.716%0.16444%0.441CS..  trans-70.8-26.4179.2-177.8163.6000112.9V2 L20 E33 A80 P81V2-I4 PolarHBondContact O-N 2.97Å; I4-L20 HydrophobicContact CD1-CD1 3.91Å; I4-L20 HydrophobicContact CD1-CD2 4.13Å; I4-L20 HydrophobicContact CG1-CD1 4.12Å; I4-L20 HydrophobicContact CG1-CD2 4.37Å; I4-E33 HydrophobicContact CD1-CB 3.92Å; I4-E33 HydrophobicContact CD1-CG 3.67Å; I4-E33 HydrophobicContact CG1-CG 4.29Å; I4-A80 HydrophobicContact CD1-CB 4.07Å; I4-P81 WeakPolarHBondContact CD1-O 3.32Å
5V95.2Very high89Confident68 Ų6883.7 Ų83.741%0.41241%0.412SS..SBendtrans-86130.7-179.3-179.90000108.9E3 Q26 I83E3-V5 VanDerWaalsContact C-N 3.32Å; V5-Q26 PolarHBondContact O-NE2 2.88Å; V5-Q26 VanDerWaalsContact O-NE2 3.12Å; V5-I83 HydrophobicContact CG1-CD1 4.39Å; V5-I83 HydrophobicContact CG1-CG1 3.98Å
6P94.8Very high89.6Confident22 Ų2279 Ų7914%0.14339%0.389CS..  trans-60.1140.5174.4-19.728.3000112.9D8 L12P6-D8 VanDerWaalsContact C-N 3.35Å; P6-D8 WeakPolarHBondContact CB-O 3.41Å; P6-L12 HydrophobicContact CB-CD2 3.51Å; P6-L12 HydrophobicContact CG-CD2 3.58Å
7K90.5Very high90.2Very high160 Ų16075.4 Ų75.470%0.69637%0.372SS*.SBendtrans-72.7-29.8176.2-67.2-177.3178.2178.30113.2E3E3-K7 WeakPolarHBondContact OE1-CE 3.33Å; E3-K7 WeakPolarHBondContact OE2-CE 3.23Å; E3-K7 IonicContact OE2-NZ 3.59Å; E3-K7 PolarHBondContact OE2-NZ 3.38Å; E3-K7 VanDerWaalsContact OE2-NZ 3.07Å
8D92.9Very high90.6Very high60 Ų6071.3 Ų71.332%0.32135%0.351SS..SBendtrans-148.5179.8178.366.253.1000110.2P6 R10P6-D8 VanDerWaalsContact C-N 3.35Å; P6-D8 WeakPolarHBondContact CB-O 3.41Å; D8-R10 WeakPolarHBondContact OD1-CA 3.42Å; D8-R10 WeakPolarHBondContact OD1-CB 3.5Å; D8-R10 PolarHBondContact OD1-N 2.92Å; D8-R10 IonicContact OD1-NE 3.33Å; D8-R10 PolarHBondContact OD1-NE 3.01Å; D8-R10 IonicContact OD2-CZ 2.72Å; D8-R10 IonicContact OD2-NE 3.71Å; D8-R10 PolarHBondContact OD2-NE 2.85Å; D8-R10 VanDerWaalsContact OD2-NE 3.11Å; D8-R10 IonicContact OD2-NH2 3.07Å; D8-R10 PolarHBondContact OD2-NH2 3.07Å
9L93.1Very high91.1Very high140 Ų14067.5 Ų67.573%0.73333%0.333SS*.SBendtrans-94.412.2-176.1-58.4179.4000113.6L12 L59L9-L12 HydrophobicContact CB-CD1 4.35Å; L9-L12 HydrophobicContact CD2-CD1 3.86Å; L9-L59 HydrophobicContact CD2-CD1 4.46Å
10R93.7Very high91.4Very high176 Ų17664.2 Ų64.266%0.66432%0.316SS*.THydrogen-bonded Turntrans-89.4144.3-177.9-59.5177.9-72.2-166.1-2.7110.8D8 L12D8-R10 WeakPolarHBondContact OD1-CA 3.42Å; D8-R10 WeakPolarHBondContact OD1-CB 3.5Å; D8-R10 PolarHBondContact OD1-N 2.92Å; D8-R10 IonicContact OD1-NE 3.33Å; D8-R10 PolarHBondContact OD1-NE 3.01Å; D8-R10 IonicContact OD2-CZ 2.72Å; D8-R10 IonicContact OD2-NE 3.71Å; D8-R10 PolarHBondContact OD2-NE 2.85Å; D8-R10 VanDerWaalsContact OD2-NE 3.11Å; D8-R10 IonicContact OD2-NH2 3.07Å; D8-R10 PolarHBondContact OD2-NH2 3.07Å; R10-L12 PolarHBondContact O-N 3.16Å
11N95.6Very high91.8Very high120 Ų12061.1 Ų61.164%0.64230%0.301SS*.THydrogen-bonded Turntrans50.532.5176.3-58.2-32.3000113.6S23 L24N11-S23 WeakPolarHBondContact O-CA 3.44Å; N11-L24 HydrophobicContact CB-CB 4.45Å; N11-L24 PolarHBondContact O-N 3.38Å
12L98.6Very high94.2Very high20 Ų2049.6 Ų49.611%0.10524%0.244CC..EExtended strand (participates in β ladder)trans-69.6141.8176.1-65.6-173.1000110.5P6 L9 R10 V21 K22 F56P6-L12 HydrophobicContact CB-CD2 3.51Å; P6-L12 HydrophobicContact CG-CD2 3.58Å; L9-L12 HydrophobicContact CB-CD1 4.35Å; L9-L12 HydrophobicContact CD2-CD1 3.86Å; R10-L12 PolarHBondContact O-N 3.16Å; L12-V21 HydrophobicContact CB-CG1 4.11Å; L12-V21 HydrophobicContact CD1-CG1 3.99Å; L12-V21 HydrophobicContact CD2-CG1 4.32Å; L12-V21 HydrophobicContact CG-CG1 4.38Å; L12-K22 WeakPolarHBondContact CA-O 3.42Å; L12-F56 HydrophobicContact CB-CE1 4.02Å; L12-F56 HydrophobicContact CB-CZ 3.96Å; L12-F56 HydrophobicContact CD1-CZ 4.37Å
13R98.8Very high96Very high29 Ų2946.2 Ų46.211%0.10923%0.225CC..EExtended strand (participates in β ladder)trans-134.6151.4173.8-52.3-17467.183.30.5108.6V21 K22 F27 Y49 T52 S53R13-V21 VanDerWaalsContact O-CA 3.3Å; R13-V21 WeakPolarHBondContact O-CA 3.29Å; R13-K22 PolarHBondContact N-O 2.79Å; R13-K22 PolarHBondContact O-N 3.18Å; R13-K22 VanDerWaalsContact O-N 3.12Å; R13-K22 VanDerWaalsContact O-O 3.13Å; R13-F27 HydrophobicContact CB-CD2 4.38Å; R13-F27 HydrophobicContact CB-CE2 4.2Å; R13-F27 WeakPolarHBondContact O-CE2 3.49Å; R13-Y49 PolarHBondContact NH2-O 2.99Å; R13-T52 WeakPolarHBondContact CD-OG1 3.31Å; R13-T52 PolarHBondContact NE-OG1 2.95Å; R13-T52 PolarHBondContact NH2-O 3.35Å; R13-S53 CarbonylContact C-O 3.5Å; R13-S53 VanDerWaalsContact CA-O 3.31Å; R13-S53 WeakPolarHBondContact CA-O 3.46Å
14A98.9Very high96.7Very high0 Ų042 Ų420%021%0.205CC..EExtended strand (participates in β ladder)trans-113.1132.8175.300000110.2L16 L20 V21 T52 S53 F56 A85 V88A14-L16 PolarHBondContact O-N 3.07Å; A14-L20 CarbonylContact C-O 3.51Å; A14-L20 WeakPolarHBondContact CA-O 3.5Å; A14-V21 HydrophobicContact CB-CG2 3.91Å; A14-T52 CarbonylContact O-C 3.55Å; A14-T52 WeakPolarHBondContact O-CA 3.39Å; A14-T52 WeakPolarHBondContact O-CB 3.33Å; A14-S53 PolarHBondContact N-O 3.37Å; A14-S53 PolarHBondContact O-N 3.29Å; A14-F56 HydrophobicContact CB-CB 3.86Å; A14-F56 HydrophobicContact CB-CD1 3.81Å; A14-F56 HydrophobicContact CB-CG 3.87Å; A14-A85 HydrophobicContact CB-CB 3.93Å; A14-V88 HydrophobicContact CB-CB 4.38Å; A14-V88 HydrophobicContact CB-CG1 3.87Å; A14-V88 HydrophobicContact CB-CG2 3.54Å
15C98.9Very high96.8Very high0 Ų044 Ų440%022%0.217CC..EExtended strand (participates in β ladder)trans-64.5126.2178175.60000111.5L17 C18 S19 L20 F27C15-L17 PolarHBondContact O-N 3.31Å; C15-L17 VanDerWaalsContact O-N 3.12Å; C15-L17 PolarHBondContact SG-N 3.04Å; C15-C18 PolarHBondContact O-N 3.16Å; C15-C18 VanDerWaalsContact SG-SG 3.67Å; C15-S19 WeakPolarHBondContact O-CA 3.44Å; C15-S19 PolarHBondContact O-N 3.35Å; C15-L20 PolarHBondContact N-O 3.41Å; C15-F27 HydrophobicContact CB-CE1 4.4Å; C15-F27 HydrophobicContact CB-CZ 4.18Å
16L98.8Very high96.9Very high8 Ų841.9 Ų41.94%0.04220%0.202CC..THydrogen-bonded Turntrans-68.2-10.1-179-72.5168.7000113.8A14 C51 V88 L92 R112A14-L16 PolarHBondContact O-N 3.07Å; L16-C51 WeakPolarHBondContact CB-O 3.47Å; L16-C51 PolarHBondContact N-O 2.94Å; L16-V88 HydrophobicContact CD2-CG1 3.77Å; L16-L92 HydrophobicContact CB-CD2 3.75Å; L16-L92 HydrophobicContact CB-CG 4.07Å; L16-L92 HydrophobicContact CD1-CD2 4.09Å; L16-R112 VanDerWaalsContact O-CG 3.3Å; L16-R112 WeakPolarHBondContact O-CG 3.47Å
17L98.7Very high97.1Very high18 Ų1840.9 Ų40.99%0.09420%0.195CC..THydrogen-bonded Turntrans-101.3-33.5177.9-173.656.9000113.5C15 C35 L39 L100 V105 Y107 M111C15-L17 PolarHBondContact O-N 3.31Å; C15-L17 VanDerWaalsContact O-N 3.12Å; C15-L17 PolarHBondContact SG-N 3.04Å; L17-C35 HydrophobicContact CD2-CB 4.07Å; L17-L39 HydrophobicContact CB-CD1 4.2Å; L17-L39 HydrophobicContact CD2-CD1 4.29Å; L17-L39 HydrophobicContact CD2-CD2 4.26Å; L17-L39 HydrophobicContact CD2-CG 4.29Å; L17-L100 HydrophobicContact CD2-CD1 4.36Å; L17-L100 HydrophobicContact CD2-CD2 4.2Å; L17-V105 HydrophobicContact CD2-CG1 4.4Å; L17-Y107 HydrophobicContact CD1-CD2 3.8Å; L17-Y107 HydrophobicContact CD1-CE2 4.38Å; L17-M111 HydrophobicContact CD1-SD 4.14Å
18C98.7Very high97.4Very high1 Ų135.1 Ų35.11%0.00717%0.171CC..THydrogen-bonded Turntrans-130.1-5.3-174.372.90000116.6C15 L20 N34 K79 Y84C15-C18 PolarHBondContact O-N 3.16Å; C15-C18 VanDerWaalsContact SG-SG 3.67Å; C18-L20 PolarHBondContact O-N 3.11Å; C18-L20 VanDerWaalsContact SG-CB 3.56Å; C18-L20 PolarHBondContact SG-N 2.65Å; C18-N34 HydrophobicContact CB-CB 4.06Å; C18-K79 HydrophobicContact CB-CD 4.43Å; C18-Y84 WeakPolarHBondContact O-CD1 3.28Å
19S98.7Very high97.6Very high0 Ų036.9 Ų36.90%018%0.181CC..  trans667.6-173.3-58.20000116.7C15 V21 Y84 A85 V88 R112C15-S19 WeakPolarHBondContact O-CA 3.44Å; C15-S19 PolarHBondContact O-N 3.35Å; S19-V21 PolarHBondContact O-N 3.42Å; S19-Y84 CarbonylContact O-C 3.55Å; S19-Y84 WeakPolarHBondContact O-CA 3.49Å; S19-A85 PolarHBondContact O-N 3.05Å; S19-V88 WeakPolarHBondContact OG-CG2 3.42Å; S19-R112 PolarHBondContact OG-NE 3.14Å; S19-R112 PolarHBondContact OG-NH2 3.42Å; S19-R112 VanDerWaalsContact OG-NH2 3.08Å
20L98.8Very high97.8Very high0 Ų033 Ų330%016%0.16CC..BIsolated β-bridgetrans-59.5134173.4-177.171.8000109.7I4 A14 C15 C18 K22 F27 E33 I83 Y84I4-L20 HydrophobicContact CD1-CD1 3.91Å; I4-L20 HydrophobicContact CD1-CD2 4.13Å; I4-L20 HydrophobicContact CG1-CD1 4.12Å; I4-L20 HydrophobicContact CG1-CD2 4.37Å; A14-L20 CarbonylContact C-O 3.51Å; A14-L20 WeakPolarHBondContact CA-O 3.5Å; C15-L20 PolarHBondContact N-O 3.41Å; C18-L20 PolarHBondContact O-N 3.11Å; C18-L20 VanDerWaalsContact SG-CB 3.56Å; C18-L20 PolarHBondContact SG-N 2.65Å; L20-K22 HydrophobicContact CD2-CD 3.83Å; L20-K22 HydrophobicContact CD2-CG 4.3Å; L20-K22 HydrophobicContact CG-CD 4.39Å; L20-K22 HydrophobicContact CG-CG 4.32Å; L20-F27 WeakPolarHBondContact O-CZ 3.34Å; L20-E33 HydrophobicContact CD2-CB 4.37Å; L20-E33 WeakPolarHBondContact CD2-OE2 3.43Å; L20-I83 WeakPolarHBondContact CD1-O 3.49Å; L20-Y84 HydrophobicContact CB-CD1 4.25Å; L20-Y84 HydrophobicContact CB-CE1 3.86Å; L20-Y84 HydrophobicContact CD1-CD2 4.34Å; L20-Y84 HydrophobicContact CD1-CE1 4.08Å; L20-Y84 HydrophobicContact CD1-CE2 3.8Å
21V98.8Very high98Very high0 Ų024.6 Ų24.60%013%0.129CC..EExtended strand (participates in β ladder)trans-107121180176.80000109.6L12 R13 A14 S19 F56 L59 I83 A85L12-V21 HydrophobicContact CB-CG1 4.11Å; L12-V21 HydrophobicContact CD1-CG1 3.99Å; L12-V21 HydrophobicContact CD2-CG1 4.32Å; L12-V21 HydrophobicContact CG-CG1 4.38Å; R13-V21 VanDerWaalsContact O-CA 3.3Å; R13-V21 WeakPolarHBondContact O-CA 3.29Å; A14-V21 HydrophobicContact CB-CG2 3.91Å; S19-V21 PolarHBondContact O-N 3.42Å; V21-F56 HydrophobicContact CG1-CE2 4.5Å; V21-F56 HydrophobicContact CG1-CZ 4.03Å; V21-F56 HydrophobicContact CG2-CD2 4.44Å; V21-F56 HydrophobicContact CG2-CE2 4.26Å; V21-F56 HydrophobicContact CG2-CZ 4.42Å; V21-L59 HydrophobicContact CB-CD2 4.37Å; V21-L59 HydrophobicContact CG1-CD2 4.16Å; V21-L59 HydrophobicContact CG2-CD2 4.03Å; V21-I83 HydrophobicContact CB-CB 4.42Å; V21-I83 HydrophobicContact CB-CG2 4.15Å; V21-I83 PolarHBondContact N-O 2.85Å; V21-A85 HydrophobicContact CG2-CB 3.85Å
22K98.5Very high98.1Very high0 Ų019 Ų190%010%0.099CC..EExtended strand (participates in β ladder)trans-137.9163.8175.1-69.9177.760.7176.50109L12 R13 L20 Q26 F27 G31 E33L12-K22 WeakPolarHBondContact CA-O 3.42Å; R13-K22 PolarHBondContact N-O 2.79Å; R13-K22 PolarHBondContact O-N 3.18Å; R13-K22 VanDerWaalsContact O-N 3.12Å; R13-K22 VanDerWaalsContact O-O 3.13Å; L20-K22 HydrophobicContact CD2-CD 3.83Å; L20-K22 HydrophobicContact CD2-CG 4.3Å; L20-K22 HydrophobicContact CG-CD 4.39Å; L20-K22 HydrophobicContact CG-CG 4.32Å; K22-Q26 HydrophobicContact CB-CB 3.94Å; K22-Q26 VanDerWaalsContact CE-CB 3.43Å; K22-Q26 WeakPolarHBondContact CE-O 3.34Å; K22-Q26 PolarHBondContact NZ-O 3.29Å; K22-Q26 VanDerWaalsContact NZ-O 3.13Å; K22-F27 HydrophobicContact CB-CD1 4.47Å; K22-F27 HydrophobicContact CB-CD2 3.8Å; K22-F27 HydrophobicContact CB-CE1 4.29Å; K22-F27 HydrophobicContact CB-CE2 3.6Å; K22-F27 HydrophobicContact CB-CG 4.24Å; K22-F27 HydrophobicContact CB-CZ 3.85Å; K22-F27 HydrophobicContact CD-CD1 4.37Å; K22-F27 HydrophobicContact CD-CE1 4.14Å; K22-F27 HydrophobicContact CD-CZ 4.42Å; K22-F27 HydrophobicContact CG-CE1 4.48Å; K22-F27 HydrophobicContact CG-CZ 4.28Å; K22-G31 PolarHBondContact NZ-O 3.27Å; K22-E33 VanDerWaalsContact CD-OE2 3.25Å; K22-E33 WeakPolarHBondContact CD-OE2 3.48Å; K22-E33 IonicContact NZ-OE1 3.11Å; K22-E33 PolarHBondContact NZ-OE1 2.86Å; K22-E33 IonicContact NZ-OE2 3.42Å; K22-E33 PolarHBondContact NZ-OE2 2.81Å
23S97.5Very high98.1Very high20 Ų2021.2 Ų21.214%0.1411%0.108CC..EExtended strand (participates in β ladder)trans-66157.2165.577.90000110.3N11 D25 Q26 F27N11-S23 WeakPolarHBondContact O-CA 3.44Å; S23-D25 VanDerWaalsContact C-N 3.26Å; S23-D25 PolarHBondContact O-N 2.92Å; S23-Q26 PolarHBondContact O-N 3.32Å; S23-Q26 VanDerWaalsContact O-N 3.16Å; S23-Q26 WeakPolarHBondContact OG-CB 3.41Å; S23-Q26 VanDerWaalsContact OG-CG 3.29Å; S23-Q26 WeakPolarHBondContact OG-CG 3.47Å; S23-Q26 PolarHBondContact OG-N 3.06Å; S23-Q26 VanDerWaalsContact OG-N 3.12Å; S23-Q26 PolarHBondContact OG-OE1 3.26Å; S23-F27 PolarHBondContact O-N 3.3Å; S23-F27 VanDerWaalsContact O-N 3.11Å
24L97.6Very high98.1Very high8 Ų820.9 Ų20.94%0.04211%0.109CC..Hα-helixtrans-49.2-49.2172.6176.363.1000111.5N11 Q26 F27 E28 R45 V48 Y49N11-L24 HydrophobicContact CB-CB 4.45Å; N11-L24 PolarHBondContact O-N 3.38Å; L24-Q26 VanDerWaalsContact C-N 3.35Å; L24-Q26 PolarHBondContact O-N 3.21Å; L24-F27 PolarHBondContact O-N 3.49Å; L24-E28 PolarHBondContact O-N 3.33Å; L24-R45 HydrophobicContact CD1-CG 4.48Å; L24-V48 HydrophobicContact CD1-CB 4.26Å; L24-V48 HydrophobicContact CD1-CG1 3.58Å; L24-Y49 HydrophobicContact CD1-CE1 4.28Å; L24-Y49 HydrophobicContact CD1-CE2 4.44Å; L24-Y49 HydrophobicContact CD2-CE1 4.25Å; L24-Y49 HydrophobicContact CD2-CE2 4.47Å; L24-Y49 WeakPolarHBondContact CD2-OH 3.49Å
25D96.3Very high98.1Very high75 Ų7520.9 Ų20.940%0.40111%0.109SC..Hα-helixtrans-67.6-33.9-178.1-53.9-35.4000112.2S23 F27 E28 N29 R45S23-D25 VanDerWaalsContact C-N 3.26Å; S23-D25 PolarHBondContact O-N 2.92Å; D25-F27 VanDerWaalsContact C-N 3.32Å; D25-F27 PolarHBondContact O-N 3.33Å; D25-E28 PolarHBondContact O-N 2.7Å; D25-N29 VanDerWaalsContact O-CB 3.3Å; D25-N29 WeakPolarHBondContact O-CB 3.16Å; D25-N29 PolarHBondContact O-N 3.06Å; D25-N29 PolarHBondContact O-ND2 3.37Å; D25-R45 IonicContact OD1-NH1 3.59Å; D25-R45 PolarHBondContact OD1-NH1 3.41Å
26Q97.6Very high98Very high23 Ų2322.6 Ų22.611%0.10712%0.117CC..Hα-helixtrans-67.4-32.3175-75.6175.5-62.500112.2E3 V5 K22 S23 L24 D30E3-Q26 PolarHBondContact O-NE2 3.06Å; V5-Q26 PolarHBondContact O-NE2 2.88Å; V5-Q26 VanDerWaalsContact O-NE2 3.12Å; K22-Q26 HydrophobicContact CB-CB 3.94Å; K22-Q26 VanDerWaalsContact CE-CB 3.43Å; K22-Q26 WeakPolarHBondContact CE-O 3.34Å; K22-Q26 PolarHBondContact NZ-O 3.29Å; K22-Q26 VanDerWaalsContact NZ-O 3.13Å; S23-Q26 PolarHBondContact O-N 3.32Å; S23-Q26 VanDerWaalsContact O-N 3.16Å; S23-Q26 WeakPolarHBondContact OG-CB 3.41Å; S23-Q26 VanDerWaalsContact OG-CG 3.29Å; S23-Q26 WeakPolarHBondContact OG-CG 3.47Å; S23-Q26 PolarHBondContact OG-N 3.06Å; S23-Q26 VanDerWaalsContact OG-N 3.12Å; S23-Q26 PolarHBondContact OG-OE1 3.26Å; L24-Q26 VanDerWaalsContact C-N 3.35Å; L24-Q26 PolarHBondContact O-N 3.21Å; Q26-D30 WeakPolarHBondContact O-CB 3.37Å; Q26-D30 PolarHBondContact O-N 3.48Å; Q26-D30 VanDerWaalsContact O-N 3.12Å
27F98.1Very high98Very high0 Ų030.7 Ų30.70%015%0.147CC..Hα-helixtrans-72.3-42.3171.4-82.7-61000112.1R13 C15 L20 K22 S23 L24 D25 G31 C32 L41 V48 T52R13-F27 HydrophobicContact CB-CD2 4.38Å; R13-F27 HydrophobicContact CB-CE2 4.2Å; R13-F27 WeakPolarHBondContact O-CE2 3.49Å; C15-F27 HydrophobicContact CB-CE1 4.4Å; C15-F27 HydrophobicContact CB-CZ 4.18Å; L20-F27 WeakPolarHBondContact O-CZ 3.34Å; K22-F27 HydrophobicContact CB-CD1 4.47Å; K22-F27 HydrophobicContact CB-CD2 3.8Å; K22-F27 HydrophobicContact CB-CE1 4.29Å; K22-F27 HydrophobicContact CB-CE2 3.6Å; K22-F27 HydrophobicContact CB-CG 4.24Å; K22-F27 HydrophobicContact CB-CZ 3.85Å; K22-F27 HydrophobicContact CD-CD1 4.37Å; K22-F27 HydrophobicContact CD-CE1 4.14Å; K22-F27 HydrophobicContact CD-CZ 4.42Å; K22-F27 HydrophobicContact CG-CE1 4.48Å; K22-F27 HydrophobicContact CG-CZ 4.28Å; S23-F27 PolarHBondContact O-N 3.3Å; S23-F27 VanDerWaalsContact O-N 3.11Å; L24-F27 PolarHBondContact O-N 3.49Å; D25-F27 VanDerWaalsContact C-N 3.32Å; D25-F27 PolarHBondContact O-N 3.33Å; F27-G31 WeakPolarHBondContact O-CA 3.3Å; F27-G31 PolarHBondContact O-N 3.47Å; F27-C32 HydrophobicContact CD1-CB 4.16Å; F27-C32 HydrophobicContact CE1-CB 3.82Å; F27-L41 HydrophobicContact CD1-CD1 3.96Å; F27-L41 HydrophobicContact CE1-CD1 4.5Å; F27-V48 HydrophobicContact CB-CB 4.49Å; F27-V48 HydrophobicContact CB-CG1 3.62Å; F27-V48 HydrophobicContact CB-CG2 3.94Å; F27-V48 HydrophobicContact CD2-CG1 4.43Å; F27-V48 HydrophobicContact CG-CG1 4.28Å; F27-T52 HydrophobicContact CD1-CG2 4.46Å; F27-T52 HydrophobicContact CD2-CG2 4.04Å; F27-T52 HydrophobicContact CE1-CG2 4.4Å; F27-T52 HydrophobicContact CE2-CG2 3.94Å; F27-T52 HydrophobicContact CG-CG2 4.29Å; F27-T52 HydrophobicContact CZ-CG2 4.15Å
28E97.5Very high97.9Very high40 Ų4032.4 Ų32.419%0.18715%0.153CC..Hα-helixtrans-64.5-40.7179.3-174.4176.4-178.900111.6L24 D25 K42 M43 R45 V48L24-E28 PolarHBondContact O-N 3.33Å; D25-E28 PolarHBondContact O-N 2.7Å; E28-K42 CarbonylContact O-C 3.48Å; E28-K42 WeakPolarHBondContact O-CA 3.45Å; E28-M43 PolarHBondContact O-N 2.76Å; E28-R45 HydrophobicContact CG-CB 4.33Å; E28-R45 WeakPolarHBondContact OE2-CD 3.23Å; E28-R45 WeakPolarHBondContact OE2-CG 3.34Å; E28-R45 IonicContact OE2-CZ 3.56Å; E28-R45 IonicContact OE2-NE 2.65Å; E28-R45 IonicContact OE2-NH1 2.75Å; E28-R45 PolarHBondContact OE2-NH1 3.35Å; E28-V48 HydrophobicContact CB-CG2 4.42Å
29N96.6Very high97.9Very high97 Ų9732.4 Ų32.452%0.51915%0.152SC..Hα-helixtrans-78.5-46.3-178.2-66.6-34.1000112.7D25D25-N29 VanDerWaalsContact O-CB 3.3Å; D25-N29 WeakPolarHBondContact O-CB 3.16Å; D25-N29 PolarHBondContact O-N 3.06Å; D25-N29 PolarHBondContact O-ND2 3.37Å
30D96.7Very high97.9Very high58 Ų5836.4 Ų36.431%0.3117%0.174SC..Hα-helixtrans-114.2-5.9-167.9-61.7-53.9000113.8V2 Q26 K42V2-D30 HydrophobicContact CG1-CB 3.92Å; Q26-D30 WeakPolarHBondContact O-CB 3.37Å; Q26-D30 PolarHBondContact O-N 3.48Å; Q26-D30 VanDerWaalsContact O-N 3.12Å; D30-K42 WeakPolarHBondContact O-CE 3.42Å
31G98.1Very high97.9Very high0 Ų036.4 Ų36.40%017%0.174CC..  trans69.5-164.5-175.400000113.1K22 F27 E36K22-G31 PolarHBondContact NZ-O 3.27Å; F27-G31 WeakPolarHBondContact O-CA 3.3Å; F27-G31 PolarHBondContact O-N 3.47Å; G31-E36 WeakPolarHBondContact CA-OE2 3.46Å
32C98.4Very high97.8Very high1 Ų141.5 Ų41.51%0.00720%0.196CC..  trans-99.1122.1173.7178.90000111F27 N34 C35 E36 L41F27-C32 HydrophobicContact CD1-CB 4.16Å; F27-C32 HydrophobicContact CE1-CB 3.82Å; C32-N34 PolarHBondContact O-N 2.96Å; C32-C35 HydrophobicContact CB-CB 4.02Å; C32-C35 PolarHBondContact O-N 3.23Å; C32-E36 PolarHBondContact N-OE2 2.64Å; C32-E36 WeakPolarHBondContact O-CB 3.24Å; C32-E36 PolarHBondContact O-N 3.04Å; C32-L41 HydrophobicContact CB-CD1 3.89Å
33E97.9Very high97.8Very high67 Ų6749 Ų4931%0.31323%0.233SC..THydrogen-bonded Turntrans-59.7-20.2-177.2-72.975.9-173.100113.3I4 L20 K22 A80I4-E33 HydrophobicContact CD1-CB 3.92Å; I4-E33 HydrophobicContact CD1-CG 3.67Å; I4-E33 HydrophobicContact CG1-CG 4.29Å; L20-E33 HydrophobicContact CD2-CB 4.37Å; L20-E33 WeakPolarHBondContact CD2-OE2 3.43Å; K22-E33 VanDerWaalsContact CD-OE2 3.25Å; K22-E33 WeakPolarHBondContact CD-OE2 3.48Å; K22-E33 IonicContact NZ-OE1 3.11Å; K22-E33 PolarHBondContact NZ-OE1 2.86Å; K22-E33 IonicContact NZ-OE2 3.42Å; K22-E33 PolarHBondContact NZ-OE2 2.81Å; E33-A80 HydrophobicContact CB-CB 4.01Å
34N98.4Very high97.9Very high22 Ų2251 Ų5112%0.11824%0.242CC..THydrogen-bonded Turntrans-100.6-26.8178.1-62.5-61.6000114.4C18 C32 K79 A80 Y84C18-N34 HydrophobicContact CB-CB 4.06Å; C32-N34 PolarHBondContact O-N 2.96Å; N34-K79 HydrophobicContact CB-CD 4.05Å; N34-K79 VanDerWaalsContact OD1-CA 3.28Å; N34-K79 WeakPolarHBondContact OD1-CA 3.46Å; N34-K79 VanDerWaalsContact OD1-CB 3.28Å; N34-K79 WeakPolarHBondContact OD1-CB 3.19Å; N34-K79 WeakPolarHBondContact OD1-CD 3.37Å; N34-A80 PolarHBondContact OD1-N 2.96Å; N34-Y84 PolarHBondContact ND2-OH 3.39Å
35C98.7Very high97.9Very high1 Ų155.1 Ų55.11%0.00726%0.257CS..THydrogen-bonded Turntrans-130.2-2.4-161-630000113.5L17 C32 R37 Y38 L39L17-C35 HydrophobicContact CD2-CB 4.07Å; C32-C35 HydrophobicContact CB-CB 4.02Å; C32-C35 PolarHBondContact O-N 3.23Å; C35-R37 VanDerWaalsContact C-N 3.31Å; C35-R37 PolarHBondContact O-N 3.49Å; C35-Y38 WeakPolarHBondContact O-CB 3.22Å; C35-Y38 PolarHBondContact O-N 2.78Å; C35-L39 HydrophobicContact CB-CD1 3.54Å; C35-L39 HydrophobicContact CB-CG 3.96Å; C35-L39 PolarHBondContact O-N 3.43Å
36E98Very high98Very high35 Ų3557.3 Ų57.316%0.16427%0.269CS..Hα-helixtrans-55.8-45-175.5-177.755.9-159.700112.6G31 C32 Y38 L39 N40 L41 K42G31-E36 WeakPolarHBondContact CA-OE2 3.46Å; C32-E36 PolarHBondContact N-OE2 2.64Å; C32-E36 WeakPolarHBondContact O-CB 3.24Å; C32-E36 PolarHBondContact O-N 3.04Å; E36-Y38 PolarHBondContact O-N 2.88Å; E36-L39 PolarHBondContact O-N 3.21Å; E36-N40 WeakPolarHBondContact O-CA 3.37Å; E36-N40 PolarHBondContact O-N 3.01Å; E36-N40 PolarHBondContact O-OD1 3.28Å; E36-N40 WeakPolarHBondContact OE1-CA 3.47Å; E36-L41 PolarHBondContact OE1-N 2.87Å; E36-L41 WeakPolarHBondContact OE2-CB 3.4Å; E36-L41 PolarHBondContact OE2-N 2.86Å; E36-K42 HydrophobicContact CG-CD 4.2Å; E36-K42 HydrophobicContact CG-CG 4.39Å; E36-K42 WeakPolarHBondContact OE1-CB 3.37Å; E36-K42 WeakPolarHBondContact OE1-CG 3.35Å; E36-K42 PolarHBondContact OE1-N 2.58Å
37R97.7Very high98Very high179 Ų17958 Ų5868%0.67527%0.271SS*.Hα-helixtrans-58.8-13.1177.668.2179178.6-170.22.9115.4C35C35-R37 VanDerWaalsContact C-N 3.31Å; C35-R37 PolarHBondContact O-N 3.49Å
38Y98.2Very high98.1Very high54 Ų5458 Ų5821%0.21227%0.271CS..Hα-helixtrans-113.2-36.8-178.8-52.3-55.9000111.9C35 E36 L100 V105C35-Y38 WeakPolarHBondContact O-CB 3.22Å; C35-Y38 PolarHBondContact O-N 2.78Å; E36-Y38 PolarHBondContact O-N 2.88Å; Y38-L100 HydrophobicContact CG-CD2 4.44Å; Y38-V105 HydrophobicContact CD1-CG2 3.48Å; Y38-V105 VanDerWaalsContact CD1-CG2 3.48Å; Y38-V105 HydrophobicContact CD2-CG2 4.28Å; Y38-V105 HydrophobicContact CE1-CG2 3.35Å; Y38-V105 HydrophobicContact CE2-CG2 4.18Å; Y38-V105 HydrophobicContact CG-CG2 3.92Å
39L98.6Very high98.1Very high0 Ų061 Ų610%028%0.281CS..Hα-helixtrans-100.1-16.2-172.5-59.8180000113.1L17 C35 E36 L41 R47 C51 L92 I96 L100L17-L39 HydrophobicContact CB-CD1 4.2Å; L17-L39 HydrophobicContact CD2-CD1 4.29Å; L17-L39 HydrophobicContact CD2-CD2 4.26Å; L17-L39 HydrophobicContact CD2-CG 4.29Å; C35-L39 HydrophobicContact CB-CD1 3.54Å; C35-L39 HydrophobicContact CB-CG 3.96Å; C35-L39 PolarHBondContact O-N 3.43Å; E36-L39 PolarHBondContact O-N 3.21Å; L39-L41 HydrophobicContact CB-CD1 4.43Å; L39-L41 HydrophobicContact CB-CD2 3.69Å; L39-L41 HydrophobicContact CB-CG 3.83Å; L39-L41 PolarHBondContact O-N 3.06Å; L39-R47 WeakPolarHBondContact O-CD 3.4Å; L39-R47 PolarHBondContact O-NE 3.27Å; L39-R47 PolarHBondContact O-NH2 3.49Å; L39-C51 HydrophobicContact CD1-CB 4.18Å; L39-L92 HydrophobicContact CD2-CD1 4.36Å; L39-I96 HydrophobicContact CD2-CG2 3.86Å; L39-L100 HydrophobicContact CD2-CD1 4.39Å; L39-L100 HydrophobicContact CD2-CD2 4.15Å
40N97.8Very high98.2Very high85 Ų8560.4 Ų60.446%0.45528%0.278SS..  trans44.858.5178.5-60.7-31.5000112.7E36 R47E36-N40 WeakPolarHBondContact O-CA 3.37Å; E36-N40 PolarHBondContact O-N 3.01Å; E36-N40 PolarHBondContact O-OD1 3.28Å; E36-N40 WeakPolarHBondContact OE1-CA 3.47Å; N40-R47 WeakPolarHBondContact O-CD 3.48Å
41L98.6Very high98.3Very high0 Ų057.7 Ų57.70%026%0.263CS..  trans-84.7-22.7-172.8-56.7-176.2000113.1F27 C32 E36 L39 M43 D44 R47 V48 C51 T52F27-L41 HydrophobicContact CD1-CD1 3.96Å; F27-L41 HydrophobicContact CE1-CD1 4.5Å; C32-L41 HydrophobicContact CB-CD1 3.89Å; E36-L41 PolarHBondContact OE1-N 2.87Å; E36-L41 WeakPolarHBondContact OE2-CB 3.4Å; E36-L41 PolarHBondContact OE2-N 2.86Å; L39-L41 HydrophobicContact CB-CD1 4.43Å; L39-L41 HydrophobicContact CB-CD2 3.69Å; L39-L41 HydrophobicContact CB-CG 3.83Å; L39-L41 PolarHBondContact O-N 3.06Å; L41-M43 PolarHBondContact O-N 3.38Å; L41-D44 PolarHBondContact O-N 2.95Å; L41-R47 HydrophobicContact CD2-CG 4.17Å; L41-V48 HydrophobicContact CB-CG2 3.99Å; L41-C51 HydrophobicContact CD2-CB 3.6Å; L41-T52 HydrophobicContact CD1-CG2 4.49Å
42K98.2Very high98.4Very high106 Ų10657.8 Ų57.846%0.46126%0.264SS..THydrogen-bonded Turntrans-60132.8-176.1-76.1175177.4-175.30111.3E28 D30 E36 D44E28-K42 CarbonylContact O-C 3.48Å; E28-K42 WeakPolarHBondContact O-CA 3.45Å; D30-K42 WeakPolarHBondContact O-CE 3.42Å; E36-K42 HydrophobicContact CG-CD 4.2Å; E36-K42 HydrophobicContact CG-CG 4.39Å; E36-K42 WeakPolarHBondContact OE1-CB 3.37Å; E36-K42 WeakPolarHBondContact OE1-CG 3.35Å; E36-K42 PolarHBondContact OE1-N 2.58Å; K42-D44 PolarHBondContact O-N 3.45Å; K42-D44 VanDerWaalsContact O-N 3.16Å
43M97.8Very high98.4Very high157 Ų15758.6 Ų58.677%0.77327%0.269SS*.THydrogen-bonded Turntrans59.616.2179.2-53.4-62.3-61.500114.1E28 L41E28-M43 PolarHBondContact O-N 2.76Å; L41-M43 PolarHBondContact O-N 3.38Å
44D98.3Very high98.4Very high63 Ų6359.3 Ų59.334%0.33728%0.282SS..  trans-130.483.3-178.8-170.3-19.5000110L41 K42 D46 R47 V48L41-D44 PolarHBondContact O-N 2.95Å; K42-D44 PolarHBondContact O-N 3.45Å; K42-D44 VanDerWaalsContact O-N 3.16Å; D44-D46 VanDerWaalsContact C-N 3.3Å; D44-D46 PolarHBondContact O-N 3.03Å; D44-D46 PolarHBondContact OD1-N 3.04Å; D44-R47 HydrophobicContact CB-CB 3.87Å; D44-R47 PolarHBondContact O-N 3.24Å; D44-R47 VanDerWaalsContact OD1-CB 3.24Å; D44-R47 WeakPolarHBondContact OD1-CB 3.32Å; D44-R47 PolarHBondContact OD1-N 3.39Å; D44-R47 WeakPolarHBondContact OD2-CB 3.24Å; D44-R47 WeakPolarHBondContact OD2-CD 3.47Å; D44-V48 WeakPolarHBondContact O-CG2 3.3Å; D44-V48 PolarHBondContact O-N 3.38Å
45R98.3Very high98.4Very high95 Ų9562.9 Ų62.936%0.35830%0.301SS..Hα-helixtrans-62.1-36.3-176-163174.2178.8107.5-6.9112.7L24 D25 E28 R47 V48 Y49L24-R45 HydrophobicContact CD1-CG 4.48Å; D25-R45 IonicContact OD1-NH1 3.59Å; D25-R45 PolarHBondContact OD1-NH1 3.41Å; E28-R45 HydrophobicContact CG-CB 4.33Å; E28-R45 WeakPolarHBondContact OE2-CD 3.23Å; E28-R45 WeakPolarHBondContact OE2-CG 3.34Å; E28-R45 IonicContact OE2-CZ 3.56Å; E28-R45 IonicContact OE2-NE 2.65Å; E28-R45 IonicContact OE2-NH1 2.75Å; E28-R45 PolarHBondContact OE2-NH1 3.35Å; R45-R47 VanDerWaalsContact C-N 3.35Å; R45-V48 WeakPolarHBondContact O-CB 3.43Å; R45-V48 PolarHBondContact O-N 2.97Å; R45-Y49 HydrophobicContact CG-CD2 4.35Å; R45-Y49 HydrophobicContact CG-CE2 3.95Å; R45-Y49 WeakPolarHBondContact O-CD2 3.42Å; R45-Y49 PolarHBondContact O-N 3.12Å
46D98.5Very high98.4Very high120 Ų12064.8 Ų64.864%0.64231%0.309SS*.Hα-helixtrans-65.5-43.4178-69.3-23.4000110.1D44 V48 Y49 D50D44-D46 VanDerWaalsContact C-N 3.3Å; D44-D46 PolarHBondContact O-N 3.03Å; D44-D46 PolarHBondContact OD1-N 3.04Å; D46-V48 VanDerWaalsContact C-N 3.3Å; D46-V48 PolarHBondContact O-N 2.98Å; D46-Y49 WeakPolarHBondContact O-CA 3.34Å; D46-Y49 WeakPolarHBondContact O-CB 3.23Å; D46-Y49 PolarHBondContact O-N 2.97Å; D46-D50 PolarHBondContact O-N 3.39Å
47R98.5Very high98.4Very high39 Ų3967.1 Ų67.115%0.14732%0.323CS..Hα-helixtrans-67-30.9175.3-162.9161.6177.2107.75.6113.1L39 N40 L41 D44 R45 D50 C51 I96 E99L39-R47 WeakPolarHBondContact O-CD 3.4Å; L39-R47 PolarHBondContact O-NE 3.27Å; L39-R47 PolarHBondContact O-NH2 3.49Å; N40-R47 WeakPolarHBondContact O-CD 3.48Å; L41-R47 HydrophobicContact CD2-CG 4.17Å; D44-R47 HydrophobicContact CB-CB 3.87Å; D44-R47 PolarHBondContact O-N 3.24Å; D44-R47 VanDerWaalsContact OD1-CB 3.24Å; D44-R47 WeakPolarHBondContact OD1-CB 3.32Å; D44-R47 PolarHBondContact OD1-N 3.39Å; D44-R47 WeakPolarHBondContact OD2-CB 3.24Å; D44-R47 WeakPolarHBondContact OD2-CD 3.47Å; R45-R47 VanDerWaalsContact C-N 3.35Å; R47-D50 PolarHBondContact O-N 2.84Å; R47-C51 VanDerWaalsContact O-CB 3.23Å; R47-C51 WeakPolarHBondContact O-CB 3.24Å; R47-C51 PolarHBondContact O-N 2.96Å; R47-C51 PolarHBondContact O-SG 2.85Å; R47-C51 VanDerWaalsContact O-SG 3.33Å; R47-I96 VanDerWaalsContact CZ-CD1 3.4Å; R47-E99 IonicContact CZ-OE2 3.83Å; R47-E99 IonicContact NH1-OE1 3.24Å; R47-E99 IonicContact NH1-OE2 3.22Å; R47-E99 IonicContact NH2-OE2 2.68Å; R47-E99 PolarHBondContact NH2-OE2 3.48Å
48V98.9Very high98.3Very high0 Ų060.7 Ų60.70%031%0.312CS..Hα-helixtrans-60.7-45.9167.5177.80000110.7L24 F27 E28 L41 D44 R45 D46 D50 C51 T52L24-V48 HydrophobicContact CD1-CB 4.26Å; L24-V48 HydrophobicContact CD1-CG1 3.58Å; F27-V48 HydrophobicContact CB-CB 4.49Å; F27-V48 HydrophobicContact CB-CG1 3.62Å; F27-V48 HydrophobicContact CB-CG2 3.94Å; F27-V48 HydrophobicContact CD2-CG1 4.43Å; F27-V48 HydrophobicContact CG-CG1 4.28Å; E28-V48 HydrophobicContact CB-CG2 4.42Å; L41-V48 HydrophobicContact CB-CG2 3.99Å; D44-V48 WeakPolarHBondContact O-CG2 3.3Å; D44-V48 PolarHBondContact O-N 3.38Å; R45-V48 WeakPolarHBondContact O-CB 3.43Å; R45-V48 PolarHBondContact O-N 2.97Å; D46-V48 VanDerWaalsContact C-N 3.3Å; D46-V48 PolarHBondContact O-N 2.98Å; V48-D50 VanDerWaalsContact C-N 3.33Å; V48-D50 PolarHBondContact O-N 2.76Å; V48-C51 PolarHBondContact O-N 3.2Å; V48-T52 HydrophobicContact CG1-CG2 4.2Å; V48-T52 WeakPolarHBondContact O-CB 3.47Å; V48-T52 WeakPolarHBondContact O-CG2 3.24Å; V48-T52 PolarHBondContact O-N 3.26Å; V48-T52 PolarHBondContact O-OG1 3.48Å
49Y98.8Very high98.3Very high103 Ų10362.4 Ų62.440%0.40433%0.325SS..Hα-helixtrans-60.7-41.4176.8-77.8-67.3000112.6R13 L24 R45 D46R13-Y49 PolarHBondContact NH2-O 2.99Å; L24-Y49 HydrophobicContact CD1-CE1 4.28Å; L24-Y49 HydrophobicContact CD1-CE2 4.44Å; L24-Y49 HydrophobicContact CD2-CE1 4.25Å; L24-Y49 HydrophobicContact CD2-CE2 4.47Å; L24-Y49 WeakPolarHBondContact CD2-OH 3.49Å; R45-Y49 HydrophobicContact CG-CD2 4.35Å; R45-Y49 HydrophobicContact CG-CE2 3.95Å; R45-Y49 WeakPolarHBondContact O-CD2 3.42Å; R45-Y49 PolarHBondContact O-N 3.12Å; D46-Y49 WeakPolarHBondContact O-CA 3.34Å; D46-Y49 WeakPolarHBondContact O-CB 3.23Å; D46-Y49 PolarHBondContact O-N 2.97Å
50D98.6Very high98.3Very high84 Ų8463.4 Ų63.445%0.44933%0.33SS..Hα-helixtrans-68.6-35.1179.1-79-14.2000113.5D46 R47 V48 P93D46-D50 PolarHBondContact O-N 3.39Å; R47-D50 PolarHBondContact O-N 2.84Å; V48-D50 VanDerWaalsContact C-N 3.33Å; V48-D50 PolarHBondContact O-N 2.76Å; D50-P93 HydrophobicContact CB-CG 3.92Å; D50-P93 WeakPolarHBondContact O-CD 3.48Å
51C98.9Very high98.3Very high0 Ų063.3 Ų63.30%034%0.341CS..Hα-helixtrans-99.9-2-171.6-65.10000114.6L16 L39 L41 R47 V48 L92L16-C51 WeakPolarHBondContact CB-O 3.47Å; L16-C51 PolarHBondContact N-O 2.94Å; L39-C51 HydrophobicContact CD1-CB 4.18Å; L41-C51 HydrophobicContact CD2-CB 3.6Å; R47-C51 VanDerWaalsContact O-CB 3.23Å; R47-C51 WeakPolarHBondContact O-CB 3.24Å; R47-C51 PolarHBondContact O-N 2.96Å; R47-C51 PolarHBondContact O-SG 2.85Å; R47-C51 VanDerWaalsContact O-SG 3.33Å; V48-C51 PolarHBondContact O-N 3.2Å; C51-L92 HydrophobicContact CB-CD2 4.01Å
52T98.9Very high98.2Very high3 Ų363.4 Ų63.42%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-136.3156.6-17970.60000111R13 A14 F27 L41 V48R13-T52 WeakPolarHBondContact CD-OG1 3.31Å; R13-T52 PolarHBondContact NE-OG1 2.95Å; R13-T52 PolarHBondContact NH2-O 3.35Å; A14-T52 CarbonylContact O-C 3.55Å; A14-T52 WeakPolarHBondContact O-CA 3.39Å; A14-T52 WeakPolarHBondContact O-CB 3.33Å; F27-T52 HydrophobicContact CD1-CG2 4.46Å; F27-T52 HydrophobicContact CD2-CG2 4.04Å; F27-T52 HydrophobicContact CE1-CG2 4.4Å; F27-T52 HydrophobicContact CE2-CG2 3.94Å; F27-T52 HydrophobicContact CG-CG2 4.29Å; F27-T52 HydrophobicContact CZ-CG2 4.15Å; L41-T52 HydrophobicContact CD1-CG2 4.49Å; V48-T52 HydrophobicContact CG1-CG2 4.2Å; V48-T52 WeakPolarHBondContact O-CB 3.47Å; V48-T52 WeakPolarHBondContact O-CG2 3.24Å; V48-T52 PolarHBondContact O-N 3.26Å; V48-T52 PolarHBondContact O-OG1 3.48Å
53S98.8Very high98.1Very high18 Ų1862.4 Ų62.413%0.12635%0.353CS..EExtended strand (participates in β ladder)trans-125.5137.3-179.2-177.30000111.2R13 A14 N55 A89R13-S53 CarbonylContact C-O 3.5Å; R13-S53 VanDerWaalsContact CA-O 3.31Å; R13-S53 WeakPolarHBondContact CA-O 3.46Å; A14-S53 PolarHBondContact N-O 3.37Å; A14-S53 PolarHBondContact O-N 3.29Å; S53-N55 PolarHBondContact OG-N 3.05Å; S53-N55 PolarHBondContact OG-O 2.81Å; S53-A89 VanDerWaalsContact CB-O 3.24Å; S53-A89 WeakPolarHBondContact CB-O 3.25Å; S53-A89 PolarHBondContact OG-O 3.03Å
54S98.4Very high98Very high82 Ų8258.9 Ų58.957%0.57334%0.337SS*.SBendtrans-80.2-8.8166.554.30000112.5
55N98.2Very high98Very high97 Ų9756.4 Ų56.452%0.51933%0.325SS..  trans-97.893.8176.8-171.95.9000109.6S53 A89S53-N55 PolarHBondContact OG-N 3.05Å; S53-N55 PolarHBondContact OG-O 2.81Å; N55-A89 HydrophobicContact CB-CB 4.19Å; N55-A89 PolarHBondContact O-N 2.92Å
56F98.1Very high97.9Very high40 Ų4056.2 Ų56.218%0.17534%0.338CS..EExtended strand (participates in β ladder)trans-143.3153178.568.3-96.9000110.2L12 A14 V21 L59 A85 S87 V88L12-F56 HydrophobicContact CB-CE1 4.02Å; L12-F56 HydrophobicContact CB-CZ 3.96Å; L12-F56 HydrophobicContact CD1-CZ 4.37Å; A14-F56 HydrophobicContact CB-CB 3.86Å; A14-F56 HydrophobicContact CB-CD1 3.81Å; A14-F56 HydrophobicContact CB-CG 3.87Å; V21-F56 HydrophobicContact CG1-CE2 4.5Å; V21-F56 HydrophobicContact CG1-CZ 4.03Å; V21-F56 HydrophobicContact CG2-CD2 4.44Å; V21-F56 HydrophobicContact CG2-CE2 4.26Å; V21-F56 HydrophobicContact CG2-CZ 4.42Å; F56-L59 HydrophobicContact CD2-CD2 4.45Å; F56-L59 HydrophobicContact CE2-CD2 3.63Å; F56-L59 HydrophobicContact CE2-CG 4.46Å; F56-L59 HydrophobicContact CZ-CD2 4.35Å; F56-A85 HydrophobicContact CB-CB 3.8Å; F56-A85 HydrophobicContact CD2-CB 3.73Å; F56-A85 HydrophobicContact CG-CB 3.98Å; F56-S87 CarbonylContact C-O 3.5Å; F56-S87 VanDerWaalsContact CA-O 3.24Å; F56-S87 WeakPolarHBondContact CA-O 3.32Å; F56-S87 VanDerWaalsContact CB-O 3.24Å; F56-S87 WeakPolarHBondContact CB-O 3.4Å; F56-V88 HydrophobicContact CB-CG1 4.43Å; F56-V88 HydrophobicContact CB-CG2 4.26Å
57D97.6Very high97.9Very high85 Ų8557.2 Ų57.246%0.45534%0.342SS..EExtended strand (participates in β ladder)trans-113.3138.7-179.4-64.1-66.8000111V86 S87D57-V86 WeakPolarHBondContact O-CA 3.5Å; D57-V86 VanDerWaalsContact O-CB 3.23Å; D57-V86 WeakPolarHBondContact O-CB 3.41Å; D57-V86 PolarHBondContact O-N 3.35Å; D57-S87 PolarHBondContact N-O 3.36Å; D57-S87 PolarHBondContact O-N 3.03Å; D57-S87 VanDerWaalsContact O-N 3.12Å
58G97Very high97.8Very high44 Ų4457.1 Ų57.145%0.45435%0.348SS..EExtended strand (participates in β ladder)trans65.3161.5173.800000114.5A85 V86G58-A85 WeakPolarHBondContact O-CA 3.49Å; G58-V86 PolarHBondContact O-N 3.06Å
59L98Very high97.8Very high90 Ų9065.7 Ų65.747%0.47138%0.38SS..EExtended strand (participates in β ladder)trans-130.5139.9176-66174.8000110L9 V21 F56 I83 Y84L9-L59 HydrophobicContact CD2-CD1 4.46Å; V21-L59 HydrophobicContact CB-CD2 4.37Å; V21-L59 HydrophobicContact CG1-CD2 4.16Å; V21-L59 HydrophobicContact CG2-CD2 4.03Å; F56-L59 HydrophobicContact CD2-CD2 4.45Å; F56-L59 HydrophobicContact CE2-CD2 3.63Å; F56-L59 HydrophobicContact CE2-CG 4.46Å; F56-L59 HydrophobicContact CZ-CD2 4.35Å; L59-I83 HydrophobicContact CB-CG2 4.24Å; L59-I83 HydrophobicContact CD2-CG2 3.72Å; L59-I83 HydrophobicContact CG-CG2 4.4Å; L59-Y84 CarbonylContact C-O 3.6Å; L59-Y84 WeakPolarHBondContact CA-O 3.3Å
60I98.3Very high97.8Very high20 Ų2063.7 Ų63.710%0.10338%0.378CS..EExtended strand (participates in β ladder)trans-121.9114177-58.1163.5000107N62 V70 Q74 I76 I83 Y84 V86I60-N62 HydrophobicContact CG2-CB 4.39Å; I60-N62 PolarHBondContact O-N 3.12Å; I60-V70 HydrophobicContact CD1-CG1 4.18Å; I60-V70 HydrophobicContact CG1-CG1 4.41Å; I60-V70 HydrophobicContact CG2-CG1 3.98Å; I60-Q74 HydrophobicContact CD1-CB 4.46Å; I60-Q74 HydrophobicContact CD1-CG 3.77Å; I60-I76 HydrophobicContact CD1-CD1 4.37Å; I60-I76 HydrophobicContact CG2-CD1 4.45Å; I60-I83 CarbonylContact O-C 3.49Å; I60-I83 WeakPolarHBondContact O-CA 3.37Å; I60-Y84 PolarHBondContact N-O 2.9Å; I60-Y84 PolarHBondContact O-N 3.04Å; I60-V86 HydrophobicContact CD1-CG2 3.93Å; I60-V86 HydrophobicContact CG1-CG2 3.8Å
61A97.4Very high97.7Very high83 Ų8359.7 Ų59.769%0.68636%0.357SS*.EExtended strand (participates in β ladder)trans-79.194.9168.800000109.5A63 I83A61-A63 PolarHBondContact O-N 3.44Å; A61-I83 HydrophobicContact CB-CD1 3.96Å
62N96.7Very high97.7Very high3 Ų366 Ų662%0.01638%0.384CS..EExtended strand (participates in β ladder)trans-93.380.1-175.5-17022.5000111I60 P65 A71 I76 P81 G82 Y84I60-N62 HydrophobicContact CG2-CB 4.39Å; I60-N62 PolarHBondContact O-N 3.12Å; N62-P65 WeakPolarHBondContact OD1-CA 3.46Å; N62-A71 WeakPolarHBondContact OD1-CB 3.44Å; N62-I76 HydrophobicContact CB-CD1 4.41Å; N62-I76 PolarHBondContact ND2-O 2.89Å; N62-P81 WeakPolarHBondContact O-CA 3.36Å; N62-G82 WeakPolarHBondContact CB-O 3.45Å; N62-G82 PolarHBondContact N-O 3.12Å; N62-G82 PolarHBondContact O-N 3.07Å; N62-G82 VanDerWaalsContact O-N 3.08Å; N62-Y84 HydrophobicContact CB-CD2 3.8Å; N62-Y84 HydrophobicContact CB-CE2 4.08Å
63A95.5Very high97.6Very high85 Ų8573.9 Ų73.970%0.70241%0.414SS*.SBendtrans-76.7-38.4-175.800000113.9A61A61-A63 PolarHBondContact O-N 3.44Å
64N96.5Very high97.5Very high82 Ų8273.9 Ų73.944%0.43941%0.412SS..  trans-130.685.6177.2-166.1-23.8000110.4S66 L67 S68N64-S66 VanDerWaalsContact C-N 3.3Å; N64-S66 PolarHBondContact O-N 2.79Å; N64-S66 PolarHBondContact OD1-OG 2.76Å; N64-L67 VanDerWaalsContact ND2-CD1 3.33Å; N64-L67 WeakPolarHBondContact ND2-CD1 3.2Å; N64-L67 PolarHBondContact O-N 3.37Å; N64-S68 WeakPolarHBondContact O-CB 3.5Å; N64-S68 PolarHBondContact O-N 2.68Å; N64-S68 VanDerWaalsContact O-N 3.15Å
65P97.4Very high97.4Very high12 Ų1278 Ų788%0.07842%0.415CS..THydrogen-bonded Turntrans-57.5-37.1-171.6-2633.1000114.5N62 L67 A71 N77 K79 P81N62-P65 WeakPolarHBondContact OD1-CA 3.46Å; P65-L67 VanDerWaalsContact C-N 3.33Å; P65-L67 PolarHBondContact O-N 3.12Å; P65-A71 WeakPolarHBondContact O-CB 3.34Å; P65-N77 CarbonylContact C-O 3.56Å; P65-N77 VanDerWaalsContact O-CA 3.25Å; P65-N77 WeakPolarHBondContact O-CA 3.38Å; P65-N77 WeakPolarHBondContact O-CB 3.11Å; P65-K79 VanDerWaalsContact CG-O 3.23Å; P65-K79 WeakPolarHBondContact CG-O 3.25Å; P65-P81 HydrophobicContact CG-CG 4.23Å
66S97.5Very high97.4Very high91 Ų9173.4 Ų73.464%0.63639%0.39SS*.THydrogen-bonded Turntrans-73.4-25.3-175.358.70000113.2N64N64-S66 VanDerWaalsContact C-N 3.3Å; N64-S66 PolarHBondContact O-N 2.79Å; N64-S66 PolarHBondContact OD1-OG 2.76Å
67L97.4Very high97.4Very high141 Ų14173.8 Ų73.874%0.73839%0.394SS*.THydrogen-bonded Turntrans-100.5-11.7-179-57.1-173.6000113.4N64 P65N64-L67 VanDerWaalsContact ND2-CD1 3.33Å; N64-L67 WeakPolarHBondContact ND2-CD1 3.2Å; N64-L67 PolarHBondContact O-N 3.37Å; P65-L67 VanDerWaalsContact C-N 3.33Å; P65-L67 PolarHBondContact O-N 3.12Å
68S97.9Very high97.4Very high37 Ų3780.7 Ų80.726%0.25941%0.414SS..  trans-83.2119.5-175.9172.70000112.4N64 V70 A71 K72N64-S68 WeakPolarHBondContact O-CB 3.5Å; N64-S68 PolarHBondContact O-N 2.68Å; N64-S68 VanDerWaalsContact O-N 3.15Å; S68-V70 VanDerWaalsContact C-N 3.32Å; S68-V70 PolarHBondContact O-N 3.08Å; S68-V70 PolarHBondContact OG-N 2.84Å; S68-A71 WeakPolarHBondContact O-CB 3.08Å; S68-A71 PolarHBondContact O-N 2.87Å; S68-A71 PolarHBondContact OG-N 3.49Å; S68-K72 PolarHBondContact O-N 3.2Å
69W98Very high97.5Very high179 Ų17981.9 Ų81.968%0.67841%0.407SS*.Hα-helixtrans-59.6-42.8171.3177.689.1000111.7A71 K72 W73W69-A71 VanDerWaalsContact C-N 3.29Å; W69-A71 PolarHBondContact O-N 3.35Å; W69-K72 WeakPolarHBondContact O-CB 3.37Å; W69-K72 PolarHBondContact O-N 3.21Å; W69-K72 VanDerWaalsContact O-N 3.14Å; W69-W73 HydrophobicContact CH2-CD2 4.37Å; W69-W73 HydrophobicContact CH2-CE3 4.38Å; W69-W73 HydrophobicContact CH2-CG 4.48Å; W69-W73 HydrophobicContact CZ2-CD2 4.43Å; W69-W73 HydrophobicContact CZ2-CE3 4.01Å; W69-W73 PolarHBondContact O-N 3.36Å
70V97.8Very high97.5Very high61 Ų6178.9 Ų78.937%0.3740%0.395SS..Hα-helixtrans-59.4-42.6176177.10000110.3I60 S68 K72 W73 Q74I60-V70 HydrophobicContact CD1-CG1 4.18Å; I60-V70 HydrophobicContact CG1-CG1 4.41Å; I60-V70 HydrophobicContact CG2-CG1 3.98Å; S68-V70 VanDerWaalsContact C-N 3.32Å; S68-V70 PolarHBondContact O-N 3.08Å; S68-V70 PolarHBondContact OG-N 2.84Å; V70-K72 VanDerWaalsContact C-N 3.33Å; V70-K72 PolarHBondContact O-N 3.38Å; V70-W73 PolarHBondContact O-N 2.82Å; V70-Q74 HydrophobicContact CG1-CG 4.37Å; V70-Q74 WeakPolarHBondContact O-CB 3.35Å; V70-Q74 WeakPolarHBondContact O-CG 3.2Å; V70-Q74 PolarHBondContact O-N 2.79Å
71A98.4Very high97.4Very high0 Ų081.3 Ų81.30%041%0.412CS..Hα-helixtrans-64-39.2177.800000112N62 P65 S68 W69 Q74 R75 I76 N77N62-A71 WeakPolarHBondContact OD1-CB 3.44Å; P65-A71 WeakPolarHBondContact O-CB 3.34Å; S68-A71 WeakPolarHBondContact O-CB 3.08Å; S68-A71 PolarHBondContact O-N 2.87Å; S68-A71 PolarHBondContact OG-N 3.49Å; W69-A71 VanDerWaalsContact C-N 3.29Å; W69-A71 PolarHBondContact O-N 3.35Å; A71-Q74 PolarHBondContact O-N 2.88Å; A71-R75 PolarHBondContact O-N 3.47Å; A71-R75 VanDerWaalsContact O-N 3.07Å; A71-I76 HydrophobicContact CB-CG1 3.9Å; A71-I76 PolarHBondContact O-N 3.32Å; A71-N77 HydrophobicContact CB-CB 3.99Å; A71-N77 PolarHBondContact O-N 3.39Å; A71-N77 VanDerWaalsContact O-N 3.12Å
72K98Very high97.4Very high133 Ų13377.7 Ų77.758%0.57838%0.383SS*.Hα-helixtrans-65.8-44.1175.7-175.9-179.4179-179.20111.6S68 W69 V70 Q74 R75 N77S68-K72 PolarHBondContact O-N 3.2Å; W69-K72 WeakPolarHBondContact O-CB 3.37Å; W69-K72 PolarHBondContact O-N 3.21Å; W69-K72 VanDerWaalsContact O-N 3.14Å; V70-K72 VanDerWaalsContact C-N 3.33Å; V70-K72 PolarHBondContact O-N 3.38Å; K72-Q74 VanDerWaalsContact C-N 3.34Å; K72-R75 PolarHBondContact O-N 3.34Å; K72-N77 HydrophobicContact CB-CB 4.34Å
73W96.6Very high97.5Very high169 Ų16979.1 Ų79.164%0.6439%0.39SS*.Hα-helixtrans-60-44.4175.8-178.2-95.2000111.4W69 V70 R75W69-W73 HydrophobicContact CH2-CD2 4.37Å; W69-W73 HydrophobicContact CH2-CE3 4.38Å; W69-W73 HydrophobicContact CH2-CG 4.48Å; W69-W73 HydrophobicContact CZ2-CD2 4.43Å; W69-W73 HydrophobicContact CZ2-CE3 4.01Å; W69-W73 PolarHBondContact O-N 3.36Å; V70-W73 PolarHBondContact O-N 2.82Å; W73-R75 VanDerWaalsContact C-N 3.27Å; W73-R75 PolarHBondContact O-N 3.16Å
74Q97Very high97.6Very high18 Ų1875.1 Ų75.18%0.08436%0.357CS..THydrogen-bonded Turntrans-82.21.7-178.9-70.5-71.219.200115.1I60 V70 A71 K72 I76 R112I60-Q74 HydrophobicContact CD1-CB 4.46Å; I60-Q74 HydrophobicContact CD1-CG 3.77Å; V70-Q74 HydrophobicContact CG1-CG 4.37Å; V70-Q74 WeakPolarHBondContact O-CB 3.35Å; V70-Q74 WeakPolarHBondContact O-CG 3.2Å; V70-Q74 PolarHBondContact O-N 2.79Å; A71-Q74 PolarHBondContact O-N 2.88Å; K72-Q74 VanDerWaalsContact C-N 3.34Å; Q74-I76 HydrophobicContact CB-CD1 4.17Å; Q74-I76 HydrophobicContact CB-CG1 3.97Å; Q74-I76 PolarHBondContact O-N 2.88Å; Q74-R112 PolarHBondContact O-NH1 2.83Å; Q74-R112 PolarHBondContact O-NH2 3.12Å
75R97.1Very high97.8Very high168 Ų16871.2 Ų71.263%0.63434%0.336SS*.THydrogen-bonded Turntrans5832.1-177.2-47-57.8-172.7-168.84.2113.3A71 K72 W73A71-R75 PolarHBondContact O-N 3.47Å; A71-R75 VanDerWaalsContact O-N 3.07Å; K72-R75 PolarHBondContact O-N 3.34Å; W73-R75 VanDerWaalsContact C-N 3.27Å; W73-R75 PolarHBondContact O-N 3.16Å
76I97.9Very high97.8Very high0 Ų073 Ų730%035%0.347CS..  trans-113.49.3176.362.6175.6000112.7I60 N62 A71 Q74 R78 K79 Y84I60-I76 HydrophobicContact CD1-CD1 4.37Å; I60-I76 HydrophobicContact CG2-CD1 4.45Å; N62-I76 HydrophobicContact CB-CD1 4.41Å; N62-I76 PolarHBondContact ND2-O 2.89Å; A71-I76 HydrophobicContact CB-CG1 3.9Å; A71-I76 PolarHBondContact O-N 3.32Å; Q74-I76 HydrophobicContact CB-CD1 4.17Å; Q74-I76 HydrophobicContact CB-CG1 3.97Å; Q74-I76 PolarHBondContact O-N 2.88Å; I76-R78 PolarHBondContact O-N 2.84Å; I76-R78 VanDerWaalsContact O-N 3.16Å; I76-K79 HydrophobicContact CB-CB 4.35Å; I76-K79 HydrophobicContact CB-CG 4.07Å; I76-K79 HydrophobicContact CG2-CG 4.36Å; I76-K79 WeakPolarHBondContact O-CB 3.32Å; I76-K79 PolarHBondContact O-N 3.32Å; I76-K79 VanDerWaalsContact O-N 3.13Å; I76-Y84 HydrophobicContact CB-CD1 4.25Å; I76-Y84 HydrophobicContact CB-CE1 4.34Å; I76-Y84 HydrophobicContact CD1-CD1 4.08Å; I76-Y84 HydrophobicContact CD1-CD2 4.02Å; I76-Y84 HydrophobicContact CD1-CG 3.67Å; I76-Y84 HydrophobicContact CG2-CD1 3.86Å; I76-Y84 HydrophobicContact CG2-CE1 4.17Å
77N98Very high97.8Very high49 Ų4968.8 Ų68.826%0.26232%0.317SS..THydrogen-bonded Turntrans-69.1-8.2-179.963.9-60.5000115.3P65 A71 K72P65-N77 CarbonylContact C-O 3.56Å; P65-N77 VanDerWaalsContact O-CA 3.25Å; P65-N77 WeakPolarHBondContact O-CA 3.38Å; P65-N77 WeakPolarHBondContact O-CB 3.11Å; A71-N77 HydrophobicContact CB-CB 3.99Å; A71-N77 PolarHBondContact O-N 3.39Å; A71-N77 VanDerWaalsContact O-N 3.12Å; K72-N77 HydrophobicContact CB-CB 4.34Å
78R97.9Very high97.9Very high230 Ų23062.1 Ų62.187%0.86828%0.282SS*.THydrogen-bonded Turntrans-113.714.9174.2-61.2-176.4179.5171.3-0.8112.5I76I76-R78 PolarHBondContact O-N 2.84Å; I76-R78 VanDerWaalsContact O-N 3.16Å
79K97.7Very high97.9Very high68 Ų6861.6 Ų61.630%0.29628%0.28SS..SBendtrans-103162.9-177.9-57.2-62.6-175.6177.60109.7C18 N34 P65 I76 Y84C18-K79 HydrophobicContact CB-CD 4.43Å; N34-K79 HydrophobicContact CB-CD 4.05Å; N34-K79 VanDerWaalsContact OD1-CA 3.28Å; N34-K79 WeakPolarHBondContact OD1-CA 3.46Å; N34-K79 VanDerWaalsContact OD1-CB 3.28Å; N34-K79 WeakPolarHBondContact OD1-CB 3.19Å; N34-K79 WeakPolarHBondContact OD1-CD 3.37Å; P65-K79 VanDerWaalsContact CG-O 3.23Å; P65-K79 WeakPolarHBondContact CG-O 3.25Å; I76-K79 HydrophobicContact CB-CB 4.35Å; I76-K79 HydrophobicContact CB-CG 4.07Å; I76-K79 HydrophobicContact CG2-CG 4.36Å; I76-K79 WeakPolarHBondContact O-CB 3.32Å; I76-K79 PolarHBondContact O-N 3.32Å; I76-K79 VanDerWaalsContact O-N 3.13Å; K79-Y84 HydrophobicContact CB-CE1 4.03Å; K79-Y84 WeakPolarHBondContact CB-OH 3.44Å; K79-Y84 HydrophobicContact CG-CE1 4.47Å
80A97.7Very high97.9Very high27 Ų2754.5 Ų54.522%0.22326%0.263CS..PPolyproline II helixtrans-58.7147.3178.600000111.6I4 E33 N34 G82 Y84I4-A80 HydrophobicContact CD1-CB 4.07Å; E33-A80 HydrophobicContact CB-CB 4.01Å; N34-A80 PolarHBondContact OD1-N 2.96Å; A80-G82 PolarHBondContact O-N 3.31Å; A80-Y84 PolarHBondContact N-OH 2.84Å; A80-Y84 VanDerWaalsContact O-CE2 3.29Å; A80-Y84 WeakPolarHBondContact O-CE2 3.28Å; A80-Y84 PolarHBondContact O-OH 2.94Å
81P97.3Very high97.9Very high72 Ų7254 Ų5447%0.46826%0.262SS..SBendtrans-56.4138.7169.1-22.733.5000111.1I4 N62 P65I4-P81 WeakPolarHBondContact CD1-O 3.32Å; N62-P81 WeakPolarHBondContact O-CA 3.36Å; P65-P81 HydrophobicContact CG-CG 4.23Å
82G97.6Very high97.9Very high7 Ų754.4 Ų54.47%0.07226%0.264CS..EExtended strand (participates in β ladder)trans163.9-169.3-176.400000113.2N62 A80N62-G82 WeakPolarHBondContact CB-O 3.45Å; N62-G82 PolarHBondContact N-O 3.12Å; N62-G82 PolarHBondContact O-N 3.07Å; N62-G82 VanDerWaalsContact O-N 3.08Å; A80-G82 PolarHBondContact O-N 3.31Å
83I98.4Very high97.9Very high33 Ų3350.2 Ų50.217%0.16925%0.251CS..EExtended strand (participates in β ladder)trans-94.5130.6177-52.9-53.7000109.4V5 L20 V21 L59 I60 A61V5-I83 HydrophobicContact CG1-CD1 4.39Å; V5-I83 HydrophobicContact CG1-CG1 3.98Å; L20-I83 WeakPolarHBondContact CD1-O 3.49Å; V21-I83 HydrophobicContact CB-CB 4.42Å; V21-I83 HydrophobicContact CB-CG2 4.15Å; V21-I83 PolarHBondContact N-O 2.85Å; L59-I83 HydrophobicContact CB-CG2 4.24Å; L59-I83 HydrophobicContact CD2-CG2 3.72Å; L59-I83 HydrophobicContact CG-CG2 4.4Å; I60-I83 CarbonylContact O-C 3.49Å; I60-I83 WeakPolarHBondContact O-CA 3.37Å; A61-I83 HydrophobicContact CB-CD1 3.96Å
84Y98.6Very high98Very high0 Ų046.3 Ų46.30%025%0.254CS..EExtended strand (participates in β ladder)trans-125.9145.4179.5-69.7-101.7000111.2C18 S19 L20 N34 L59 I60 N62 I76 K79 A80C18-Y84 WeakPolarHBondContact O-CD1 3.28Å; S19-Y84 CarbonylContact O-C 3.55Å; S19-Y84 WeakPolarHBondContact O-CA 3.49Å; L20-Y84 HydrophobicContact CB-CD1 4.25Å; L20-Y84 HydrophobicContact CB-CE1 3.86Å; L20-Y84 HydrophobicContact CD1-CD2 4.34Å; L20-Y84 HydrophobicContact CD1-CE1 4.08Å; L20-Y84 HydrophobicContact CD1-CE2 3.8Å; N34-Y84 PolarHBondContact ND2-OH 3.39Å; L59-Y84 CarbonylContact C-O 3.6Å; L59-Y84 WeakPolarHBondContact CA-O 3.3Å; I60-Y84 PolarHBondContact N-O 2.9Å; I60-Y84 PolarHBondContact O-N 3.04Å; N62-Y84 HydrophobicContact CB-CD2 3.8Å; N62-Y84 HydrophobicContact CB-CE2 4.08Å; I76-Y84 HydrophobicContact CB-CD1 4.25Å; I76-Y84 HydrophobicContact CB-CE1 4.34Å; I76-Y84 HydrophobicContact CD1-CD1 4.08Å; I76-Y84 HydrophobicContact CD1-CD2 4.02Å; I76-Y84 HydrophobicContact CD1-CG 3.67Å; I76-Y84 HydrophobicContact CG2-CD1 3.86Å; I76-Y84 HydrophobicContact CG2-CE1 4.17Å; K79-Y84 HydrophobicContact CB-CE1 4.03Å; K79-Y84 WeakPolarHBondContact CB-OH 3.44Å; K79-Y84 HydrophobicContact CG-CE1 4.47Å; A80-Y84 PolarHBondContact N-OH 2.84Å; A80-Y84 VanDerWaalsContact O-CE2 3.29Å; A80-Y84 WeakPolarHBondContact O-CE2 3.28Å; A80-Y84 PolarHBondContact O-OH 2.94Å
85A98.7Very high98.1Very high0 Ų048.4 Ų48.40%028%0.275CS..EExtended strand (participates in β ladder)trans-74.1147.2170.400000111.4A14 S19 V21 F56 G58 V88A14-A85 HydrophobicContact CB-CB 3.93Å; S19-A85 PolarHBondContact O-N 3.05Å; V21-A85 HydrophobicContact CG2-CB 3.85Å; F56-A85 HydrophobicContact CB-CB 3.8Å; F56-A85 HydrophobicContact CD2-CB 3.73Å; F56-A85 HydrophobicContact CG-CB 3.98Å; G58-A85 WeakPolarHBondContact O-CA 3.49Å; A85-V88 HydrophobicContact CB-CG2 3.67Å
86V98.3Very high98.1Very high51 Ų5140.7 Ų40.731%0.30925%0.246SC..EExtended strand (participates in β ladder)trans-71.7-42172.5174.70000110.1D57 G58 I60 T114D57-V86 WeakPolarHBondContact O-CA 3.5Å; D57-V86 VanDerWaalsContact O-CB 3.23Å; D57-V86 WeakPolarHBondContact O-CB 3.41Å; D57-V86 PolarHBondContact O-N 3.35Å; G58-V86 PolarHBondContact O-N 3.06Å; I60-V86 HydrophobicContact CD1-CG2 3.93Å; I60-V86 HydrophobicContact CG1-CG2 3.8Å; V86-T114 WeakPolarHBondContact O-CG2 3.2Å; V86-T114 PolarHBondContact O-OG1 3.08Å
87S98.3Very high98.2Very high2 Ų242.1 Ų42.11%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-137.7145.2175.1-168.90000109.9F56 D57 D113 T114 T115F56-S87 CarbonylContact C-O 3.5Å; F56-S87 VanDerWaalsContact CA-O 3.24Å; F56-S87 WeakPolarHBondContact CA-O 3.32Å; F56-S87 VanDerWaalsContact CB-O 3.24Å; F56-S87 WeakPolarHBondContact CB-O 3.4Å; D57-S87 PolarHBondContact N-O 3.36Å; D57-S87 PolarHBondContact O-N 3.03Å; D57-S87 VanDerWaalsContact O-N 3.12Å; S87-D113 WeakPolarHBondContact OG-CA 3.38Å; S87-D113 PolarHBondContact OG-OD1 2.72Å; S87-T114 VanDerWaalsContact CB-OG1 3.3Å; S87-T114 WeakPolarHBondContact CB-OG1 3.33Å; S87-T114 PolarHBondContact OG-N 3.3Å; S87-T115 PolarHBondContact OG-N 3.49Å
88V98.7Very high98.2Very high0 Ų042.4 Ų42.40%026%0.26CS..EExtended strand (participates in β ladder)trans-128.2119.2173.5-170.60000108.8A14 L16 S19 F56 A85 R112 D113A14-V88 HydrophobicContact CB-CB 4.38Å; A14-V88 HydrophobicContact CB-CG1 3.87Å; A14-V88 HydrophobicContact CB-CG2 3.54Å; L16-V88 HydrophobicContact CD2-CG1 3.77Å; S19-V88 WeakPolarHBondContact OG-CG2 3.42Å; F56-V88 HydrophobicContact CB-CG1 4.43Å; F56-V88 HydrophobicContact CB-CG2 4.26Å; A85-V88 HydrophobicContact CB-CG2 3.67Å; V88-R112 HydrophobicContact CB-CB 3.99Å; V88-R112 HydrophobicContact CG2-CB 4.19Å; V88-R112 PolarHBondContact N-O 3.16Å; V88-R112 CarbonylContact O-C 3.45Å; V88-D113 WeakPolarHBondContact O-CA 3.29Å; V88-D113 PolarHBondContact O-N 3.34Å
89A97.8Very high98.2Very high26 Ų2634.7 Ų34.722%0.21523%0.234CC..  trans-80.2136176.300000110.6S53 N55S53-A89 VanDerWaalsContact CB-O 3.24Å; S53-A89 WeakPolarHBondContact CB-O 3.25Å; S53-A89 PolarHBondContact OG-O 3.03Å; N55-A89 HydrophobicContact CB-CB 4.19Å; N55-A89 PolarHBondContact O-N 2.92Å
90G97.6Very high98.2Very high31 Ų3131.4 Ų31.432%0.3222%0.22SC..  trans123170.517600000113.8N110G90-N110 PolarHBondContact O-OD1 3.46Å
91S98.4Very high98.3Very high49 Ų4938.6 Ų38.634%0.34324%0.241SC..  trans-132.9147.5177-69.20000109.9Y107 P109 N110S91-Y107 WeakPolarHBondContact CA-OH 3.45Å; S91-P109 WeakPolarHBondContact OG-CA 3.3Å; S91-N110 PolarHBondContact OG-N 3.13Å; S91-N110 PolarHBondContact OG-OD1 2.87Å
92L98.7Very high98.3Very high9 Ų941.3 Ų41.35%0.04725%0.252CS..  trans-63.4143.6172.7-68.4174.9000110.1L16 L39 C51 I96 V97 L100 Y107L16-L92 HydrophobicContact CB-CD2 3.75Å; L16-L92 HydrophobicContact CB-CG 4.07Å; L16-L92 HydrophobicContact CD1-CD2 4.09Å; L39-L92 HydrophobicContact CD2-CD1 4.36Å; C51-L92 HydrophobicContact CB-CD2 4.01Å; L92-I96 HydrophobicContact CB-CB 4.46Å; L92-I96 HydrophobicContact CB-CG2 4.39Å; L92-I96 HydrophobicContact CD1-CG2 4.14Å; L92-I96 HydrophobicContact CD2-CG2 4.33Å; L92-V97 HydrophobicContact CB-CG2 3.84Å; L92-L100 HydrophobicContact CD1-CD1 3.42Å; L92-L100 VanDerWaalsContact CD1-CD1 3.42Å; L92-Y107 HydrophobicContact CB-CE1 3.89Å; L92-Y107 HydrophobicContact CB-CE2 4.39Å; L92-Y107 HydrophobicContact CD1-CD1 4.49Å; L92-Y107 HydrophobicContact CD1-CD2 3.76Å; L92-Y107 HydrophobicContact CD1-CE1 4.28Å; L92-Y107 HydrophobicContact CD1-CE2 3.52Å; L92-Y107 HydrophobicContact CD1-CG 4.23Å; L92-Y107 HydrophobicContact CG-CE1 4.24Å; L92-Y107 HydrophobicContact CG-CE2 3.83Å; L92-Y107 PolarHBondContact N-OH 3.39Å
93P98.5Very high98.3Very high46 Ų4645.1 Ų45.130%0.29927%0.268SS..  trans-57.8150.8174.3-24.633.7000112.5D50 A95 I96 V97D50-P93 HydrophobicContact CB-CG 3.92Å; D50-P93 WeakPolarHBondContact O-CD 3.48Å; P93-A95 PolarHBondContact O-N 3.11Å; P93-A95 VanDerWaalsContact O-N 3.16Å; P93-I96 HydrophobicContact CB-CG1 4.36Å; P93-I96 HydrophobicContact CG-CG1 4.38Å; P93-I96 PolarHBondContact O-N 3.16Å; P93-I96 VanDerWaalsContact O-N 3.07Å; P93-V97 WeakPolarHBondContact O-CG2 3.19Å; P93-V97 PolarHBondContact O-N 3.33Å
94A98.2Very high98.3Very high86 Ų8646.6 Ų46.671%0.71129%0.291SS*.Hα-helixtrans-55.9-36.5-17600000113.6V97 S98A94-V97 PolarHBondContact O-N 3.03Å; A94-S98 PolarHBondContact O-N 2.92Å
95A98Very high98.3Very high63 Ų6347.4 Ų47.452%0.52130%0.296SS..Hα-helixtrans-60.3-51175.800000111.7P93 V97 S98 E99P93-A95 PolarHBondContact O-N 3.11Å; P93-A95 VanDerWaalsContact O-N 3.16Å; A95-V97 VanDerWaalsContact C-N 3.29Å; A95-V97 PolarHBondContact O-N 2.88Å; A95-S98 VanDerWaalsContact O-CB 3.32Å; A95-S98 WeakPolarHBondContact O-CB 3.29Å; A95-S98 PolarHBondContact O-N 3.43Å; A95-E99 WeakPolarHBondContact O-CG 3.48Å; A95-E99 PolarHBondContact O-N 2.78Å
96I98.5Very high98.1Very high6 Ų652.5 Ų52.53%0.03133%0.329CS..Hα-helixtrans-61.5-38.7176.9-54.3-61.7000111L39 R47 L92 P93 S98 E99 L100L39-I96 HydrophobicContact CD2-CG2 3.86Å; R47-I96 VanDerWaalsContact CZ-CD1 3.4Å; L92-I96 HydrophobicContact CB-CB 4.46Å; L92-I96 HydrophobicContact CB-CG2 4.39Å; L92-I96 HydrophobicContact CD1-CG2 4.14Å; L92-I96 HydrophobicContact CD2-CG2 4.33Å; P93-I96 HydrophobicContact CB-CG1 4.36Å; P93-I96 HydrophobicContact CG-CG1 4.38Å; P93-I96 PolarHBondContact O-N 3.16Å; P93-I96 VanDerWaalsContact O-N 3.07Å; I96-S98 VanDerWaalsContact C-N 3.29Å; I96-S98 PolarHBondContact O-N 2.99Å; I96-E99 PolarHBondContact O-N 3.19Å; I96-L100 HydrophobicContact CG2-CD1 4.38Å; I96-L100 HydrophobicContact CG2-CG 4.43Å; I96-L100 WeakPolarHBondContact O-CB 3.09Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.34Å; I96-L100 PolarHBondContact O-N 3.12Å
97V98.7Very high98.1Very high30 Ų3051.8 Ų51.818%0.18232%0.321CS..Hα-helixtrans-63.8-35.8175.9177.20000111.9L92 P93 A94 A95 R101 Y107L92-V97 HydrophobicContact CB-CG2 3.84Å; P93-V97 WeakPolarHBondContact O-CG2 3.19Å; P93-V97 PolarHBondContact O-N 3.33Å; A94-V97 PolarHBondContact O-N 3.03Å; A95-V97 VanDerWaalsContact C-N 3.29Å; A95-V97 PolarHBondContact O-N 2.88Å; V97-R101 PolarHBondContact O-N 3.18Å; V97-R101 VanDerWaalsContact O-N 3.11Å; V97-Y107 HydrophobicContact CB-CD1 4.35Å; V97-Y107 HydrophobicContact CG1-CD1 4.05Å; V97-Y107 HydrophobicContact CG2-CD1 3.44Å; V97-Y107 VanDerWaalsContact CG2-CD1 3.44Å; V97-Y107 HydrophobicContact CG2-CE1 3.66Å; V97-Y107 HydrophobicContact CG2-CG 4.4Å
98S98.3Very high98Very high54 Ų5457.8 Ų57.838%0.37835%0.347SS..Hα-helixtrans-65.2-47.9174-163.10000111.1A94 A95 I96 L100 R101 D102A94-S98 PolarHBondContact O-N 2.92Å; A95-S98 VanDerWaalsContact O-CB 3.32Å; A95-S98 WeakPolarHBondContact O-CB 3.29Å; A95-S98 PolarHBondContact O-N 3.43Å; I96-S98 VanDerWaalsContact C-N 3.29Å; I96-S98 PolarHBondContact O-N 2.99Å; S98-L100 VanDerWaalsContact C-N 3.33Å; S98-L100 PolarHBondContact O-N 3.22Å; S98-R101 WeakPolarHBondContact O-CB 3.46Å; S98-R101 PolarHBondContact O-N 2.72Å; S98-D102 PolarHBondContact O-N 2.89Å
99E98.3Very high97.9Very high68 Ų6862.4 Ų62.432%0.31838%0.377SS..Hα-helixtrans-58.9-44177.9-65.6170.5-153.900111.8R47 A95 I96 R101 D102 Q103R47-E99 IonicContact CZ-OE2 3.83Å; R47-E99 IonicContact NH1-OE1 3.24Å; R47-E99 IonicContact NH1-OE2 3.22Å; R47-E99 IonicContact NH2-OE2 2.68Å; R47-E99 PolarHBondContact NH2-OE2 3.48Å; A95-E99 WeakPolarHBondContact O-CG 3.48Å; A95-E99 PolarHBondContact O-N 2.78Å; I96-E99 PolarHBondContact O-N 3.19Å; E99-R101 VanDerWaalsContact C-N 3.29Å; E99-R101 PolarHBondContact O-N 3.01Å; E99-D102 PolarHBondContact O-N 3.06Å; E99-Q103 WeakPolarHBondContact O-CG 3.44Å; E99-Q103 PolarHBondContact O-N 3.21Å
100L98.6Very high97.9Very high0 Ų064.8 Ų64.80%039%0.386CS..Hα-helixtrans-60-40175.3-72.4179000112.1L17 Y38 L39 L92 I96 S98 Q103 G104 V105 Y107L17-L100 HydrophobicContact CD2-CD1 4.36Å; L17-L100 HydrophobicContact CD2-CD2 4.2Å; Y38-L100 HydrophobicContact CG-CD2 4.44Å; L39-L100 HydrophobicContact CD2-CD1 4.39Å; L39-L100 HydrophobicContact CD2-CD2 4.15Å; L92-L100 HydrophobicContact CD1-CD1 3.42Å; L92-L100 VanDerWaalsContact CD1-CD1 3.42Å; I96-L100 HydrophobicContact CG2-CD1 4.38Å; I96-L100 HydrophobicContact CG2-CG 4.43Å; I96-L100 WeakPolarHBondContact O-CB 3.09Å; I96-L100 VanDerWaalsContact O-CG 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.34Å; I96-L100 PolarHBondContact O-N 3.12Å; S98-L100 VanDerWaalsContact C-N 3.33Å; S98-L100 PolarHBondContact O-N 3.22Å; L100-Q103 CarbonylContact O-C 3.54Å; L100-Q103 PolarHBondContact O-N 3.43Å; L100-G104 PolarHBondContact O-N 3.13Å; L100-V105 HydrophobicContact CB-CB 4.14Å; L100-V105 HydrophobicContact CD2-CB 4.01Å; L100-V105 HydrophobicContact CD2-CG1 4.05Å; L100-V105 HydrophobicContact CD2-CG2 4.36Å; L100-V105 WeakPolarHBondContact O-CA 3.07Å; L100-V105 WeakPolarHBondContact O-CB 2.85Å; L100-V105 PolarHBondContact O-N 3.47Å; L100-Y107 HydrophobicContact CD1-CD2 4.41Å; L100-Y107 HydrophobicContact CD1-CG 4.29Å
101R98.1Very high97.8Very high177 Ų17765.4 Ų65.467%0.66838%0.381SS*.Hα-helixtrans-63.6-44.7177.4-175.8-171.1-59.4169.53111.3V97 S98 E99 Q103 G104V97-R101 PolarHBondContact O-N 3.18Å; V97-R101 VanDerWaalsContact O-N 3.11Å; S98-R101 WeakPolarHBondContact O-CB 3.46Å; S98-R101 PolarHBondContact O-N 2.72Å; E99-R101 VanDerWaalsContact C-N 3.29Å; E99-R101 PolarHBondContact O-N 3.01Å; R101-Q103 PolarHBondContact O-N 2.89Å; R101-G104 WeakPolarHBondContact O-CA 3.49Å; R101-G104 PolarHBondContact O-N 3.39Å
102D98.3Very high97.8Very high130 Ų13064 Ų6470%0.69537%0.368SS*.Hα-helixtrans-63.9-30.1179-63.3-21.9000111.5S98 E99 G104S98-D102 PolarHBondContact O-N 2.89Å; E99-D102 PolarHBondContact O-N 3.06Å; D102-G104 VanDerWaalsContact C-N 3.29Å; D102-G104 PolarHBondContact O-N 3.44Å
103Q97.7Very high97.7Very high87 Ų8764.8 Ų64.841%0.40737%0.372SS..THydrogen-bonded Turntrans-81.90.7172.3-65.8178.4-30.200114.3E99 L100 R101 V105E99-Q103 WeakPolarHBondContact O-CG 3.44Å; E99-Q103 PolarHBondContact O-N 3.21Å; L100-Q103 CarbonylContact O-C 3.54Å; L100-Q103 PolarHBondContact O-N 3.43Å; R101-Q103 PolarHBondContact O-N 2.89Å; Q103-V105 VanDerWaalsContact C-N 3.29Å; Q103-V105 HydrophobicContact CB-CG2 4.18Å; Q103-V105 PolarHBondContact O-N 3.14Å
104G97.9Very high97.4Very high63 Ų6363.4 Ų63.465%0.64936%0.363SS*.THydrogen-bonded Turntrans70.720.2-177.700000114.4L100 R101 D102 P106L100-G104 PolarHBondContact O-N 3.13Å; R101-G104 WeakPolarHBondContact O-CA 3.49Å; R101-G104 PolarHBondContact O-N 3.39Å; D102-G104 VanDerWaalsContact C-N 3.29Å; D102-G104 PolarHBondContact O-N 3.44Å; G104-P106 WeakPolarHBondContact O-CD 3.49Å
105V98Very high96.8Very high17 Ų1762.2 Ų62.210%0.10335%0.347CS..  trans-91.5112.2177.5-177.40000109.5L17 Y38 L100 Q103 Y107L17-V105 HydrophobicContact CD2-CG1 4.4Å; Y38-V105 HydrophobicContact CD1-CG2 3.48Å; Y38-V105 VanDerWaalsContact CD1-CG2 3.48Å; Y38-V105 HydrophobicContact CD2-CG2 4.28Å; Y38-V105 HydrophobicContact CE1-CG2 3.35Å; Y38-V105 HydrophobicContact CE2-CG2 4.18Å; Y38-V105 HydrophobicContact CG-CG2 3.92Å; L100-V105 HydrophobicContact CB-CB 4.14Å; L100-V105 HydrophobicContact CD2-CB 4.01Å; L100-V105 HydrophobicContact CD2-CG1 4.05Å; L100-V105 HydrophobicContact CD2-CG2 4.36Å; L100-V105 WeakPolarHBondContact O-CA 3.07Å; L100-V105 WeakPolarHBondContact O-CB 2.85Å; L100-V105 PolarHBondContact O-N 3.47Å; Q103-V105 VanDerWaalsContact C-N 3.29Å; Q103-V105 HydrophobicContact CB-CG2 4.18Å; Q103-V105 PolarHBondContact O-N 3.14Å; V105-Y107 PolarHBondContact O-N 2.6Å
106P95.6Very high95.4Very high108 Ų10862.8 Ų62.870%0.70135%0.347SS*.  trans-67.2129.9179.227.2-33.6000110.4G104 M111G104-P106 WeakPolarHBondContact O-CD 3.49Å; P106-M111 WeakPolarHBondContact O-CE 3.2Å
107Y97.9Very high93.8Very high36 Ų3668.3 Ų68.314%0.14137%0.368CS..  trans-135.3149.5173.8-173.3-98.8000111.1L17 S91 L92 V97 L100 V105 M111L17-Y107 HydrophobicContact CD1-CD2 3.8Å; L17-Y107 HydrophobicContact CD1-CE2 4.38Å; S91-Y107 WeakPolarHBondContact CA-OH 3.45Å; L92-Y107 HydrophobicContact CB-CE1 3.89Å; L92-Y107 HydrophobicContact CB-CE2 4.39Å; L92-Y107 HydrophobicContact CD1-CD1 4.49Å; L92-Y107 HydrophobicContact CD1-CD2 3.76Å; L92-Y107 HydrophobicContact CD1-CE1 4.28Å; L92-Y107 HydrophobicContact CD1-CE2 3.52Å; L92-Y107 HydrophobicContact CD1-CG 4.23Å; L92-Y107 HydrophobicContact CG-CE1 4.24Å; L92-Y107 HydrophobicContact CG-CE2 3.83Å; L92-Y107 PolarHBondContact N-OH 3.39Å; V97-Y107 HydrophobicContact CB-CD1 4.35Å; V97-Y107 HydrophobicContact CG1-CD1 4.05Å; V97-Y107 HydrophobicContact CG2-CD1 3.44Å; V97-Y107 VanDerWaalsContact CG2-CD1 3.44Å; V97-Y107 HydrophobicContact CG2-CE1 3.66Å; V97-Y107 HydrophobicContact CG2-CG 4.4Å; L100-Y107 HydrophobicContact CD1-CD2 4.41Å; L100-Y107 HydrophobicContact CD1-CG 4.29Å; V105-Y107 PolarHBondContact O-N 2.6Å; Y107-M111 HydrophobicContact CD2-CB 4.32Å; Y107-M111 HydrophobicContact CD2-CE 4.26Å; Y107-M111 HydrophobicContact CD2-SD 3.99Å; Y107-M111 HydrophobicContact CE2-CB 3.92Å; Y107-M111 HydrophobicContact CE2-SD 4.37Å
108K96.1Very high91.7Very high128 Ų12871.8 Ų71.856%0.55739%0.389SS*.  trans-141.2150.9171.667.5176.5-176.2172.10109.8N110 M111K108-N110 PolarHBondContact O-N 2.75Å; K108-M111 HydrophobicContact CG-CB 4.08Å; K108-M111 HydrophobicContact CG-CE 4.04Å; K108-M111 VanDerWaalsContact O-CB 3.23Å; K108-M111 WeakPolarHBondContact O-CB 3.23Å; K108-M111 PolarHBondContact O-N 3.44Å
109P97.3Very high89.5Confident97 Ų9775.7 Ų75.763%0.6340%0.404SS*.THydrogen-bonded Turntrans-52.3140.7175.2-27.235.6000112.1S91 M111S91-P109 WeakPolarHBondContact OG-CA 3.3Å; P109-M111 PolarHBondContact O-N 3.24Å; P109-M111 VanDerWaalsContact O-N 3.16Å
110N96.8Very high87.2Confident76 Ų7675.6 Ų75.641%0.40642%0.422SS..THydrogen-bonded Turntrans53.433.2-179.6-54.1-38.9000112.8G90 S91 K108 R112 D113G90-N110 PolarHBondContact O-OD1 3.46Å; S91-N110 PolarHBondContact OG-N 3.13Å; S91-N110 PolarHBondContact OG-OD1 2.87Å; K108-N110 PolarHBondContact O-N 2.75Å; N110-R112 PolarHBondContact O-N 2.88Å; N110-D113 HydrophobicContact CB-CB 3.89Å; N110-D113 WeakPolarHBondContact O-CB 3.48Å; N110-D113 PolarHBondContact O-N 3.12Å
111M96.7Very high84.6Confident43 Ų4382.9 Ų82.921%0.21246%0.461CS..THydrogen-bonded Turntrans-52.9-34.6-175170.6173.3-79.700113.6L17 P106 Y107 K108 P109L17-M111 HydrophobicContact CD1-SD 4.14Å; P106-M111 WeakPolarHBondContact O-CE 3.2Å; Y107-M111 HydrophobicContact CD2-CB 4.32Å; Y107-M111 HydrophobicContact CD2-CE 4.26Å; Y107-M111 HydrophobicContact CD2-SD 3.99Å; Y107-M111 HydrophobicContact CE2-CB 3.92Å; Y107-M111 HydrophobicContact CE2-SD 4.37Å; K108-M111 HydrophobicContact CG-CB 4.08Å; K108-M111 HydrophobicContact CG-CE 4.04Å; K108-M111 VanDerWaalsContact O-CB 3.23Å; K108-M111 WeakPolarHBondContact O-CB 3.23Å; K108-M111 PolarHBondContact O-N 3.44Å; P109-M111 PolarHBondContact O-N 3.24Å; P109-M111 VanDerWaalsContact O-N 3.16Å
112R97.3Very high81.9Confident19 Ų1986.7 Ų86.77%0.07248%0.482CS..THydrogen-bonded Turntrans-104.25.1-177.2-59.4-52.9-60.1168.56.4113.5L16 S19 Q74 V88 N110 T114L16-R112 VanDerWaalsContact O-CG 3.3Å; L16-R112 WeakPolarHBondContact O-CG 3.47Å; S19-R112 PolarHBondContact OG-NE 3.14Å; S19-R112 PolarHBondContact OG-NH2 3.42Å; S19-R112 VanDerWaalsContact OG-NH2 3.08Å; Q74-R112 PolarHBondContact O-NH1 2.83Å; Q74-R112 PolarHBondContact O-NH2 3.12Å; V88-R112 HydrophobicContact CB-CB 3.99Å; V88-R112 HydrophobicContact CG2-CB 4.19Å; V88-R112 PolarHBondContact N-O 3.16Å; V88-R112 CarbonylContact O-C 3.45Å; N110-R112 PolarHBondContact O-N 2.88Å; R112-T114 PolarHBondContact O-N 2.84Å
113D96.7Very high81.1Confident26 Ų2684.6 Ų84.614%0.13947%0.472CS..  trans-80.1113.3169.6-169.9-19.8000109.2S87 V88 N110 T115S87-D113 WeakPolarHBondContact OG-CA 3.38Å; S87-D113 PolarHBondContact OG-OD1 2.72Å; V88-D113 WeakPolarHBondContact O-CA 3.29Å; V88-D113 PolarHBondContact O-N 3.34Å; N110-D113 HydrophobicContact CB-CB 3.89Å; N110-D113 WeakPolarHBondContact O-CB 3.48Å; N110-D113 PolarHBondContact O-N 3.12Å; D113-T115 WeakPolarHBondContact OD1-CB 3.17Å; D113-T115 PolarHBondContact OD1-N 3.26Å; D113-T115 PolarHBondContact OD1-OG1 3.25Å
114T92.7Very high80.2Confident18 Ų1884.4 Ų84.411%0.1148%0.475CS..  trans-102.9-9.3178.865.60000112.8V86 S87 R112 S116 R117V86-T114 WeakPolarHBondContact O-CG2 3.2Å; V86-T114 PolarHBondContact O-OG1 3.08Å; S87-T114 VanDerWaalsContact CB-OG1 3.3Å; S87-T114 WeakPolarHBondContact CB-OG1 3.33Å; S87-T114 PolarHBondContact OG-N 3.3Å; R112-T114 PolarHBondContact O-N 2.84Å; T114-S116 VanDerWaalsContact C-N 3.26Å; T114-S116 PolarHBondContact O-N 3.25Å; T114-R117 WeakPolarHBondContact O-CB 2.7Å; T114-R117 PolarHBondContact O-N 3.11Å
115T85.8Confident79.3Confident61 Ų6185.6 Ų85.637%0.37447%0.466SS..Hα-helixtrans-64.9-33177.466.60000111.8S87 D113 R117 T118S87-T115 PolarHBondContact OG-N 3.49Å; D113-T115 WeakPolarHBondContact OD1-CB 3.17Å; D113-T115 PolarHBondContact OD1-N 3.26Å; D113-T115 PolarHBondContact OD1-OG1 3.25Å; T115-R117 PolarHBondContact O-N 3.42Å; T115-T118 PolarHBondContact O-N 3.15Å; T115-T118 PolarHBondContact O-OG1 2.72Å
116S69.3Low78.1Confident75 Ų7589.6 Ų89.652%0.52449%0.487SS..Hα-helixtrans-66.4-23.2175.4-65.80000112.8T114T114-S116 VanDerWaalsContact C-N 3.26Å; T114-S116 PolarHBondContact O-N 3.25Å
117R63.5Low77.1Confident121 Ų12188.5 Ų88.546%0.45747%0.474SS..Hα-helixtrans-75-28.3-179.6-59.2-176.6-173.4177.94.8112.5T114 T115 I119T114-R117 WeakPolarHBondContact O-CB 2.7Å; T114-R117 PolarHBondContact O-N 3.11Å; T115-R117 PolarHBondContact O-N 3.42Å; R117-I119 VanDerWaalsContact C-N 3.31Å
118T55.4Low75.7Confident103 Ų10392 Ų9263%0.63250%0.496SS*.Hα-helixtrans-75.8-20.1-18036.40000113.1T115T115-T118 PolarHBondContact O-N 3.15Å; T115-T118 PolarHBondContact O-OG1 2.72Å
119I52Low74.2Confident136 Ų13689.4 Ų89.470%0.69749%0.491SS*.Hα-helixtrans-74.6-34.5178.7-54.8176.5000111.1R117 N121R117-I119 VanDerWaalsContact C-N 3.31Å; I119-N121 VanDerWaalsContact C-N 3.32Å; I119-N121 PolarHBondContact O-N 3.07Å
120G48.9Very low72.4Confident67 Ų6788.8 Ų88.869%0.69148%0.481SS*.THydrogen-bonded Turntrans-82.45.8-176.100000116.5
121N45.2Very low70.4Confident152 Ų15289.9 Ų89.981%0.81349%0.487SS*.THydrogen-bonded Turntrans-120.715.8-174.7-107.4-12.8000113.8I119I119-N121 VanDerWaalsContact C-N 3.32Å; I119-N121 PolarHBondContact O-N 3.07Å
122K41.4Very low68Low258 Ų25894.2 Ų94.2100%1.12251%0.512SS*.  trans-108.30164.5-74.1-169177.1-172.70109

Retrieved 122 of 122 residues in 73.5 ms (Link to these results)

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