A0A077ZFM6_TRITR Loading...

Glycogen [starch] synthase

Transfers the glycosyl residue from UDP-Glc to the non-reducing end of alpha-1,4-glucan.

AlphaFold DB , UniProt , Accession A0A077ZFM6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 616 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
1M86.2Confident92.5Very high122 Ų12254.9 Ų54.960%0.60127%0.267SS*.  0-60.20-69.5-170.3-71.700111.8T3 K4 A5 M18 H134M1-T3 PolarHBondContact O-N 3.38Å; M1-K4 PolarHBondContact O-N 3.16Å; M1-A5 PolarHBondContact O-N 3.02Å; M1-M18 HydrophobicContact CB-CE 4.13Å; M1-H134 HydrophobicContact SD-CB 4.1Å
2R90.6Very high92.6Very high143 Ų14354.3 Ų54.354%0.5427%0.266SS..Hα-helixtrans-44.1-53.6177.3-173.8175.6179168.61.2114.1K4 A5 W60 I62R2-K4 VanDerWaalsContact C-N 3.28Å; R2-K4 PolarHBondContact O-N 2.88Å; R2-A5 WeakPolarHBondContact O-CB 3.25Å; R2-A5 PolarHBondContact O-N 3.15Å; R2-A5 VanDerWaalsContact O-N 3.15Å; R2-W60 HydrophobicContact CB-CH2 3.71Å; R2-W60 HydrophobicContact CB-CZ2 4.38Å; R2-W60 HydrophobicContact CB-CZ3 4.23Å; R2-W60 HydrophobicContact CG-CH2 3.98Å; R2-W60 HydrophobicContact CG-CZ2 4.21Å; R2-I62 HydrophobicContact CG-CD1 3.91Å; R2-I62 HydrophobicContact CG-CG2 4.2Å
3T90.6Very high92.8Very high54 Ų5452.4 Ų52.433%0.33127%0.269SS..Hα-helixtrans-64.7-26.5-177.453.30000114.3M1 N237 W556M1-T3 PolarHBondContact O-N 3.38Å; T3-N237 PolarHBondContact O-OD1 3.12Å; T3-W556 PolarHBondContact O-NE1 3.05Å; T3-W556 PolarHBondContact OG1-NE1 3.26Å
4K93.5Very high92.8Very high9 Ų955.9 Ų55.94%0.03928%0.284CS..Hα-helixtrans-85.9-15.9177.9-170.3-162.171.2-178.10112.8M1 R2 A6 I7 S8 H134 W556 Y563M1-K4 PolarHBondContact O-N 3.16Å; R2-K4 VanDerWaalsContact C-N 3.28Å; R2-K4 PolarHBondContact O-N 2.88Å; K4-A6 VanDerWaalsContact C-N 3.3Å; K4-A6 PolarHBondContact O-N 3.31Å; K4-I7 HydrophobicContact CG-CG2 4.09Å; K4-I7 VanDerWaalsContact O-CG2 3.25Å; K4-I7 WeakPolarHBondContact O-CG2 3.42Å; K4-I7 PolarHBondContact O-N 3.2Å; K4-S8 PolarHBondContact O-N 2.81Å; K4-S8 VanDerWaalsContact O-N 3.16Å; K4-S8 PolarHBondContact O-OG 3.45Å; K4-S8 VanDerWaalsContact O-OG 3.05Å; K4-H134 PolarHBondContact NZ-NE2 3.25Å; K4-W556 HydrophobicContact CB-CD2 4.23Å; K4-W556 HydrophobicContact CB-CE3 4.28Å; K4-W556 HydrophobicContact CB-CH2 3.96Å; K4-W556 HydrophobicContact CB-CZ2 3.89Å; K4-W556 HydrophobicContact CB-CZ3 4.17Å; K4-W556 HydrophobicContact CD-CH2 4.41Å; K4-W556 HydrophobicContact CD-CZ3 4.28Å; K4-W556 HydrophobicContact CG-CD2 4.35Å; K4-W556 HydrophobicContact CG-CE3 3.95Å; K4-W556 HydrophobicContact CG-CH2 4.04Å; K4-W556 HydrophobicContact CG-CZ2 4.44Å; K4-W556 HydrophobicContact CG-CZ3 3.8Å; K4-Y563 HydrophobicContact CD-CD1 3.74Å; K4-Y563 HydrophobicContact CD-CD2 3.81Å; K4-Y563 HydrophobicContact CD-CE1 3.55Å; K4-Y563 HydrophobicContact CD-CE2 3.62Å; K4-Y563 HydrophobicContact CD-CG 3.86Å; K4-Y563 VanDerWaalsContact CD-CZ 3.48Å
5A94.4Very high92.9Very high0 Ų063.5 Ų63.50%032%0.318CS..Hα-helixtrans-61.6-40.3-17000000111.9M1 R2 S8 T9 M18 I62 P66M1-A5 PolarHBondContact O-N 3.02Å; R2-A5 WeakPolarHBondContact O-CB 3.25Å; R2-A5 PolarHBondContact O-N 3.15Å; R2-A5 VanDerWaalsContact O-N 3.15Å; A5-S8 PolarHBondContact O-N 3.5Å; A5-T9 WeakPolarHBondContact O-CB 3.27Å; A5-T9 PolarHBondContact O-N 3.34Å; A5-T9 PolarHBondContact O-OG1 3.46Å; A5-M18 HydrophobicContact CB-SD 4.05Å; A5-I62 HydrophobicContact CB-CD1 3.68Å; A5-P66 HydrophobicContact CB-CG 4.16Å
6A93.2Very high93.1Very high28 Ų2861.7 Ų61.723%0.23131%0.306CS..Hα-helixtrans-55.3-55177.100000112.4K4 S8 T9 E10 D63K4-A6 VanDerWaalsContact C-N 3.3Å; K4-A6 PolarHBondContact O-N 3.31Å; A6-S8 VanDerWaalsContact C-N 3.28Å; A6-S8 PolarHBondContact O-N 3.35Å; A6-T9 PolarHBondContact O-N 3Å; A6-T9 VanDerWaalsContact O-N 3.17Å; A6-E10 WeakPolarHBondContact O-CB 3.33Å; A6-E10 PolarHBondContact O-N 3.47Å; A6-D63 HydrophobicContact CB-CB 4.05Å; A6-D63 PolarHBondContact N-O 3.25Å
7I93Very high93.3Very high20 Ų2060.4 Ų60.410%0.10330%0.304CS..Hα-helixtrans-66.3-31.6-178.5-165.265.2000112.6K4 E10 E11 W556 R557K4-I7 HydrophobicContact CG-CG2 4.09Å; K4-I7 VanDerWaalsContact O-CG2 3.25Å; K4-I7 WeakPolarHBondContact O-CG2 3.42Å; K4-I7 PolarHBondContact O-N 3.2Å; I7-E10 WeakPolarHBondContact CD1-OE2 3.46Å; I7-E11 PolarHBondContact O-N 3.49Å; I7-E11 VanDerWaalsContact O-N 3.15Å; I7-W556 HydrophobicContact CB-CB 4.28Å; I7-W556 HydrophobicContact CG2-CB 4.02Å; I7-W556 HydrophobicContact CG2-CG 4.49Å; I7-R557 HydrophobicContact CD1-CG 4.38Å
8S94.4Very high93.6Very high3 Ų358.5 Ų58.52%0.02129%0.294CS..Hα-helixtrans-70.9-36.8176.8-55.30000111.3K4 A5 A6 L12K4-S8 PolarHBondContact O-N 2.81Å; K4-S8 VanDerWaalsContact O-N 3.16Å; K4-S8 PolarHBondContact O-OG 3.45Å; K4-S8 VanDerWaalsContact O-OG 3.05Å; A5-S8 PolarHBondContact O-N 3.5Å; A6-S8 VanDerWaalsContact C-N 3.28Å; A6-S8 PolarHBondContact O-N 3.35Å; S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 PolarHBondContact O-N 2.91Å
9T95.3Very high93.8Very high16 Ų1658.5 Ų58.510%0.09830%0.295CS..Hα-helixtrans-75.4-35.3177.2-46.60000111.5A5 A6 E11 G13 Y16 G64A5-T9 WeakPolarHBondContact O-CB 3.27Å; A5-T9 PolarHBondContact O-N 3.34Å; A5-T9 PolarHBondContact O-OG1 3.46Å; A6-T9 PolarHBondContact O-N 3Å; A6-T9 VanDerWaalsContact O-N 3.17Å; T9-E11 VanDerWaalsContact C-N 3.32Å; T9-E11 PolarHBondContact O-N 3.02Å; T9-G13 WeakPolarHBondContact O-CA 3.31Å; T9-G13 PolarHBondContact O-N 3.47Å; T9-Y16 WeakPolarHBondContact OG1-CD1 3.5Å; T9-G64 VanDerWaalsContact CG2-O 3.23Å; T9-G64 WeakPolarHBondContact CG2-O 3.29Å
10E93.5Very high94Very high149 Ų14956.2 Ų56.270%0.69629%0.286SS*.Hα-helixtrans-60.8-41.5172.1-174.7-179.7175.900111.6A6 I7A6-E10 WeakPolarHBondContact O-CB 3.33Å; A6-E10 PolarHBondContact O-N 3.47Å; I7-E10 WeakPolarHBondContact CD1-OE2 3.46Å
11E92.8Very high94.1Very high60 Ų6057.5 Ų57.528%0.2830%0.298SS..Hα-helixtrans-72.5-46.5179.4177.6-177.8145.600113.6I7 T9 R564 R567I7-E11 PolarHBondContact O-N 3.49Å; I7-E11 VanDerWaalsContact O-N 3.15Å; T9-E11 VanDerWaalsContact C-N 3.32Å; T9-E11 PolarHBondContact O-N 3.02Å; E11-R564 WeakPolarHBondContact OE1-CG 3.36Å; E11-R564 IonicContact OE1-NE 2.73Å; E11-R564 PolarHBondContact OE1-NE 3.03Å; E11-R564 IonicContact OE2-CZ 3.45Å; E11-R564 VanDerWaalsContact OE2-CZ 3.29Å; E11-R564 IonicContact OE2-NE 3.01Å; E11-R564 PolarHBondContact OE2-NE 2.91Å; E11-R564 IonicContact OE2-NH2 3.89Å; E11-R564 PolarHBondContact OE2-NH2 2.78Å; E11-R567 IonicContact OE1-CZ 2.89Å; E11-R567 IonicContact OE1-NE 3.68Å; E11-R567 IonicContact OE1-NH2 3.23Å; E11-R567 PolarHBondContact OE1-NH2 3.43Å; E11-R567 IonicContact OE2-NH2 2.65Å; E11-R567 PolarHBondContact OE2-NH2 3.1Å
12L94.3Very high94.6Very high47 Ų4753.7 Ų53.725%0.24628%0.278CS..Hα-helixtrans-103.9-9.7-168.5-63.6172.2000112.9S8 E14 Q15 Y16S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 PolarHBondContact O-N 2.91Å; L12-E14 PolarHBondContact O-N 3.18Å; L12-Q15 VanDerWaalsContact O-CB 3.28Å; L12-Q15 WeakPolarHBondContact O-CB 3.39Å; L12-Q15 PolarHBondContact O-N 3.01Å; L12-Q15 VanDerWaalsContact O-N 3.07Å; L12-Y16 HydrophobicContact CD1-CD2 3.98Å
13G94.2Very high94.9Very high30 Ų3050.8 Ų50.831%0.30927%0.273SS..G310 helixtrans50.4-130-175.200000112.1T9 Q15 Y16T9-G13 WeakPolarHBondContact O-CA 3.31Å; T9-G13 PolarHBondContact O-N 3.47Å; G13-Q15 PolarHBondContact O-N 2.99Å; G13-Q15 VanDerWaalsContact O-N 3.1Å; G13-Y16 PolarHBondContact O-N 3.34Å; G13-Y16 VanDerWaalsContact O-N 3.13Å
14E93.5Very high95Very high102 Ų10252.9 Ų52.948%0.47728%0.279SS..G310 helixtrans-68.5-5.9-178-66.3-64.1125.200114.7L12 R59 K67L12-E14 PolarHBondContact O-N 3.18Å; E14-R59 IonicContact OE1-CZ 3.55Å; E14-R59 IonicContact OE1-NH1 3.43Å; E14-R59 PolarHBondContact OE1-NH1 3.04Å; E14-R59 IonicContact OE1-NH2 2.65Å; E14-R59 PolarHBondContact OE1-NH2 3.43Å; E14-R59 IonicContact OE2-CZ 2.58Å; E14-R59 IonicContact OE2-NH1 2.71Å; E14-R59 IonicContact OE2-NH2 3.85Å; E14-R59 PolarHBondContact OE2-NH2 3.39Å; E14-K67 PolarHBondContact O-NZ 3Å; E14-K67 VanDerWaalsContact O-NZ 3.14Å; E14-K67 WeakPolarHBondContact OE2-CE 3.27Å; E14-K67 IonicContact OE2-NZ 2.65Å; E14-K67 PolarHBondContact OE2-NZ 3.43Å
15Q93.3Very high95Very high170 Ų17056 Ų5679%0.79430%0.302SS*.G310 helixtrans-85.1-12.7174.2-55-177.4-36.800112.6L12 G13L12-Q15 VanDerWaalsContact O-CB 3.28Å; L12-Q15 WeakPolarHBondContact O-CB 3.39Å; L12-Q15 PolarHBondContact O-N 3.01Å; L12-Q15 VanDerWaalsContact O-N 3.07Å; G13-Q15 PolarHBondContact O-N 2.99Å; G13-Q15 VanDerWaalsContact O-N 3.1Å
16Y96.6Very high95Very high34 Ų3460.3 Ų60.313%0.13332%0.323CS..  trans-86.2125176.4-173.7-119.1000111.4T9 L12 G13 M18 P66T9-Y16 WeakPolarHBondContact OG1-CD1 3.5Å; L12-Y16 HydrophobicContact CD1-CD2 3.98Å; G13-Y16 PolarHBondContact O-N 3.34Å; G13-Y16 VanDerWaalsContact O-N 3.13Å; Y16-M18 HydrophobicContact CD1-CG 4.49Å; Y16-M18 HydrophobicContact CE1-CG 3.63Å; Y16-M18 HydrophobicContact CE1-SD 3.98Å; Y16-M18 WeakPolarHBondContact OH-CG 3.43Å; Y16-P66 HydrophobicContact CD1-CB 3.93Å; Y16-P66 HydrophobicContact CE1-CB 4.01Å
17C97.4Very high95.1Very high40 Ų4059.2 Ų59.227%0.2731%0.313SS..EExtended strand (participates in β ladder)trans-135.9133.7173.9-172.50000109.8K67C17-K67 WeakPolarHBondContact CA-O 3.47Å; C17-K67 HydrophobicContact CB-CB 4.1Å
18M97.8Very high95.1Very high26 Ų2665.1 Ų65.113%0.12834%0.338CS..EExtended strand (participates in β ladder)trans-96.5146.3173.4-55.5-176.36800109.6M1 A5 Y16 W60 P66 K67 V68 V69M1-M18 HydrophobicContact CB-CE 4.13Å; A5-M18 HydrophobicContact CB-SD 4.05Å; Y16-M18 HydrophobicContact CD1-CG 4.49Å; Y16-M18 HydrophobicContact CE1-CG 3.63Å; Y16-M18 HydrophobicContact CE1-SD 3.98Å; Y16-M18 WeakPolarHBondContact OH-CG 3.43Å; M18-W60 HydrophobicContact CE-CE3 4.34Å; M18-W60 HydrophobicContact CE-CZ3 3.91Å; M18-W60 HydrophobicContact SD-CE3 4Å; M18-W60 HydrophobicContact SD-CZ3 4.15Å; M18-P66 HydrophobicContact SD-CB 4.29Å; M18-P66 HydrophobicContact SD-CG 4Å; M18-K67 PolarHBondContact N-O 2.83Å; M18-V68 HydrophobicContact CB-CG1 4.24Å; M18-V68 CarbonylContact O-C 3.6Å; M18-V68 VanDerWaalsContact O-CA 3.3Å; M18-V68 WeakPolarHBondContact O-CA 3.32Å; M18-V69 PolarHBondContact O-N 3.01Å
19I98Very high95.1Very high58 Ų5871.7 Ų71.730%0.29737%0.372SS..EExtended strand (participates in β ladder)trans-127.4134.5-179.2-52.9178.3000108.7V69 F71 F108 V112 F115I19-V69 WeakPolarHBondContact CA-O 3.19Å; I19-V69 HydrophobicContact CG1-CB 4.38Å; I19-F71 HydrophobicContact CG2-CD2 3.88Å; I19-F71 HydrophobicContact CG2-CE2 3.57Å; I19-F108 HydrophobicContact CG2-CE2 4.31Å; I19-F108 HydrophobicContact CG2-CZ 4.28Å; I19-V112 HydrophobicContact CG2-CG2 3.89Å; I19-F115 HydrophobicContact CD1-CD1 3.81Å; I19-F115 HydrophobicContact CD1-CE1 3.64Å
20G97.3Very high95Very high12 Ų1273.5 Ų73.512%0.12438%0.38CS..EExtended strand (participates in β ladder)trans-160.2174.8-176.800000113.9V69 L70 F71G20-V69 PolarHBondContact N-O 3.41Å; G20-V69 VanDerWaalsContact N-O 3.12Å; G20-L70 VanDerWaalsContact O-CA 3.27Å; G20-L70 WeakPolarHBondContact O-CA 3.22Å; G20-F71 PolarHBondContact O-N 3.49Å
21P96.8Very high95.2Very high84 Ų8467.2 Ų67.255%0.54535%0.352SS..EExtended strand (participates in β ladder)trans-71.5145.5171.829.9-33.9000111.1F71P21-F71 CarbonylContact C-O 3.54Å; P21-F71 WeakPolarHBondContact CA-O 3.5Å
22Y96.9Very high95.4Very high42 Ų4268.4 Ų68.417%0.16536%0.357CS..  trans-79.7129.9173.9173.1-94.8000110.4E24 V27 I56 L70 F71 D72Y22-E24 HydrophobicContact CE1-CB 3.78Å; Y22-E24 WeakPolarHBondContact OH-CG 3.35Å; Y22-V27 HydrophobicContact CD2-CB 4.48Å; Y22-V27 HydrophobicContact CD2-CG2 3.78Å; Y22-V27 HydrophobicContact CE2-CB 4.03Å; Y22-V27 HydrophobicContact CE2-CG1 3.96Å; Y22-V27 HydrophobicContact CE2-CG2 3.83Å; Y22-I56 HydrophobicContact CD2-CD1 3.64Å; Y22-I56 HydrophobicContact CD2-CG1 3.86Å; Y22-I56 HydrophobicContact CD2-CG2 4.49Å; Y22-I56 HydrophobicContact CE2-CD1 3.73Å; Y22-I56 HydrophobicContact CE2-CG1 4.28Å; Y22-I56 HydrophobicContact CE2-CG2 4.37Å; Y22-L70 HydrophobicContact CD2-CB 4.46Å; Y22-F71 VanDerWaalsContact CB-C 3.49Å; Y22-F71 WeakPolarHBondContact CB-O 3.28Å; Y22-F71 PolarHBondContact N-O 2.92Å; Y22-D72 HydrophobicContact CD1-CB 3.98Å; Y22-D72 HydrophobicContact CG-CB 4.3Å
23N95.2Very high95.5Very high83 Ų8372 Ų7244%0.44437%0.374SS..  trans-127.9115168.7179.5-42.8000108.5S25 M26 V27N23-S25 VanDerWaalsContact C-N 3.35Å; N23-S25 PolarHBondContact O-N 2.86Å; N23-S25 PolarHBondContact OD1-N 2.67Å; N23-S25 VanDerWaalsContact OD1-N 3.12Å; N23-S25 PolarHBondContact OD1-OG 2.62Å; N23-M26 HydrophobicContact CB-CB 4.27Å; N23-M26 HydrophobicContact CB-CG 4.19Å; N23-M26 PolarHBondContact O-N 3.16Å; N23-M26 PolarHBondContact OD1-N 2.73Å; N23-V27 WeakPolarHBondContact O-CB 3.26Å; N23-V27 VanDerWaalsContact O-CG2 3.28Å; N23-V27 WeakPolarHBondContact O-CG2 3.36Å; N23-V27 PolarHBondContact O-N 2.83Å
24E93.8Very high95.6Very high98 Ų9873 Ų7346%0.45837%0.372SS..Hα-helixtrans-58.8-41.6-172.3-175.7172.7170.600113.5Y22 M26 K28Y22-E24 HydrophobicContact CE1-CB 3.78Å; Y22-E24 WeakPolarHBondContact OH-CG 3.35Å; E24-M26 VanDerWaalsContact C-N 3.35Å; E24-K28 HydrophobicContact CG-CD 4.3Å; E24-K28 WeakPolarHBondContact O-CG 3.31Å; E24-K28 PolarHBondContact O-N 2.89Å; E24-K28 WeakPolarHBondContact OE1-CE 3.28Å; E24-K28 IonicContact OE1-NZ 3.32Å; E24-K28 PolarHBondContact OE1-NZ 3.41Å
25S94.2Very high95.6Very high74 Ų7473.3 Ų73.352%0.51737%0.374SS..Hα-helixtrans-69.2-35.7-177.859.80000112N23N23-S25 VanDerWaalsContact C-N 3.35Å; N23-S25 PolarHBondContact O-N 2.86Å; N23-S25 PolarHBondContact OD1-N 2.67Å; N23-S25 VanDerWaalsContact OD1-N 3.12Å; N23-S25 PolarHBondContact OD1-OG 2.62Å
26M93.8Very high95.6Very high90 Ų9065.2 Ų65.244%0.44334%0.336SS..Hα-helixtrans-77.3-42.1179.5-58.5-62-81.500111.5N23 E24 K28 L29 E30N23-M26 HydrophobicContact CB-CB 4.27Å; N23-M26 HydrophobicContact CB-CG 4.19Å; N23-M26 PolarHBondContact O-N 3.16Å; N23-M26 PolarHBondContact OD1-N 2.73Å; E24-M26 VanDerWaalsContact C-N 3.35Å; M26-K28 VanDerWaalsContact C-N 3.31Å; M26-K28 PolarHBondContact O-N 2.82Å; M26-L29 PolarHBondContact O-N 3.15Å; M26-L29 VanDerWaalsContact O-N 3.09Å; M26-E30 WeakPolarHBondContact CE-OE1 3.41Å; M26-E30 WeakPolarHBondContact O-CB 3.44Å; M26-E30 PolarHBondContact O-N 2.7Å
27V94.4Very high95.3Very high5 Ų567.9 Ų67.93%0.0335%0.35CS..Hα-helixtrans-59.5-41.7-179.4165.10000111.6Y22 N23 L29 E30 V31 M33 I56 L70Y22-V27 HydrophobicContact CD2-CB 4.48Å; Y22-V27 HydrophobicContact CD2-CG2 3.78Å; Y22-V27 HydrophobicContact CE2-CB 4.03Å; Y22-V27 HydrophobicContact CE2-CG1 3.96Å; Y22-V27 HydrophobicContact CE2-CG2 3.83Å; N23-V27 WeakPolarHBondContact O-CB 3.26Å; N23-V27 VanDerWaalsContact O-CG2 3.28Å; N23-V27 WeakPolarHBondContact O-CG2 3.36Å; N23-V27 PolarHBondContact O-N 2.83Å; V27-L29 PolarHBondContact O-N 2.85Å; V27-E30 PolarHBondContact O-N 2.95Å; V27-V31 HydrophobicContact CB-CB 4.49Å; V27-V31 HydrophobicContact CG1-CB 4.09Å; V27-V31 HydrophobicContact CG2-CG2 4.34Å; V27-V31 PolarHBondContact O-N 3.26Å; V27-M33 HydrophobicContact CG1-CG 4.39Å; V27-M33 HydrophobicContact CG1-SD 4.37Å; V27-I56 HydrophobicContact CG1-CD1 3.63Å; V27-I56 HydrophobicContact CG2-CD1 4.06Å; V27-L70 HydrophobicContact CG2-CD1 3.6Å
28K93.2Very high95Very high144 Ų14469 Ų6963%0.62636%0.355SS*.Hα-helixtrans-59.6-26.5178.3-76.9172.6172.9169.10113.7E24 M26E24-K28 HydrophobicContact CG-CD 4.3Å; E24-K28 WeakPolarHBondContact O-CG 3.31Å; E24-K28 PolarHBondContact O-N 2.89Å; E24-K28 WeakPolarHBondContact OE1-CE 3.28Å; E24-K28 IonicContact OE1-NZ 3.32Å; E24-K28 PolarHBondContact OE1-NZ 3.41Å; M26-K28 VanDerWaalsContact C-N 3.31Å; M26-K28 PolarHBondContact O-N 2.82Å
29L93.8Very high94.7Very high141 Ų14171.4 Ų71.474%0.73838%0.375SS*.Hα-helixtrans-101.2-32.6-177-65.6173.6000112.7M26 V27M26-L29 PolarHBondContact O-N 3.15Å; M26-L29 VanDerWaalsContact O-N 3.09Å; V27-L29 PolarHBondContact O-N 2.85Å
30E95Very high94.5Very high55 Ų5569.4 Ų69.426%0.25737%0.366SS..Hα-helixtrans-114.4-12.1-167.2-59.6-169.9-173.100114.1M26 V27 W60 L61M26-E30 WeakPolarHBondContact CE-OE1 3.41Å; M26-E30 WeakPolarHBondContact O-CB 3.44Å; M26-E30 PolarHBondContact O-N 2.7Å; V27-E30 PolarHBondContact O-N 2.95Å; E30-W60 VanDerWaalsContact O-CD1 3.29Å; E30-W60 PolarHBondContact OE2-NE1 2.96Å; E30-L61 VanDerWaalsContact O-CB 3.24Å; E30-L61 WeakPolarHBondContact O-CB 3.45Å; E30-L61 WeakPolarHBondContact O-CG 3.49Å; E30-L61 PolarHBondContact O-N 3.42Å
31V97Very high94.5Very high17 Ų1769.7 Ų69.710%0.10336%0.364CS..EExtended strand (participates in β ladder)trans-126.1126.4-172.5178.30000111.1V27 M33 R59 V68 L70V27-V31 HydrophobicContact CB-CB 4.49Å; V27-V31 HydrophobicContact CG1-CB 4.09Å; V27-V31 HydrophobicContact CG2-CG2 4.34Å; V27-V31 PolarHBondContact O-N 3.26Å; V31-M33 PolarHBondContact O-N 3.45Å; V31-R59 WeakPolarHBondContact CA-O 3.34Å; V31-V68 HydrophobicContact CG1-CG2 3.76Å; V31-V68 HydrophobicContact CG2-CG2 4.43Å; V31-L70 HydrophobicContact CG2-CD1 4.15Å
32E96.8Very high94.5Very high85 Ų8569.9 Ų69.940%0.39735%0.354SS..EExtended strand (participates in β ladder)trans-81.4112.7166.1-174.2177.5174.200109.1L34 G58 R59 L61 Y65E32-L34 HydrophobicContact CG-CD2 4.04Å; E32-L34 HydrophobicContact CG-CG 4.18Å; E32-G58 CarbonylContact O-C 3.52Å; E32-G58 WeakPolarHBondContact O-CA 3.32Å; E32-R59 PolarHBondContact N-O 3.26Å; E32-R59 PolarHBondContact O-N 3.34Å; E32-L61 HydrophobicContact CB-CD2 4.24Å; E32-Y65 VanDerWaalsContact CD-OH 3.22Å; E32-Y65 PolarHBondContact OE2-OH 3.02Å
33M96Very high94.4Very high122 Ų12269.7 Ų69.760%0.60136%0.359SS*.EExtended strand (participates in β ladder)trans-74.9126.9178-68.5-176.1-74.700110.1V27 V31 I56V27-M33 HydrophobicContact CG1-CG 4.39Å; V27-M33 HydrophobicContact CG1-SD 4.37Å; V31-M33 PolarHBondContact O-N 3.45Å; M33-I56 HydrophobicContact CG-CD1 4.36Å
34L96.1Very high94.5Very high52 Ų5265.8 Ų65.827%0.27234%0.338SS..  trans-135.2163.7-177.2-61.4173000109.2E32 F57 R59E32-L34 HydrophobicContact CG-CD2 4.04Å; E32-L34 HydrophobicContact CG-CG 4.18Å; L34-F57 HydrophobicContact CB-CD1 4.15Å; L34-F57 HydrophobicContact CB-CE1 4.3Å; L34-F57 PolarHBondContact N-O 3.44Å; L34-F57 CarbonylContact O-C 3.55Å; L34-F57 WeakPolarHBondContact O-CD1 3.26Å; L34-R59 HydrophobicContact CD1-CB 4.41Å; L34-R59 HydrophobicContact CD1-CG 3.92Å
35E94.5Very high94.7Very high107 Ų10761.1 Ų61.150%0.532%0.316SS..  trans-93145163.7-74.4-59.9138.500110.1R49E35-R49 IonicContact OE1-CZ 3.61Å; E35-R49 IonicContact OE1-NH1 3.95Å; E35-R49 PolarHBondContact OE1-NH1 3.16Å; E35-R49 IonicContact OE1-NH2 2.98Å; E35-R49 IonicContact OE2-NH1 3.04Å; E35-R49 PolarHBondContact OE2-NH1 2.93Å; E35-R49 VanDerWaalsContact OE2-NH1 3.13Å; E35-R49 IonicContact OE2-NH2 2.84Å
36P93.3Very high94.9Very high1 Ų162.4 Ų62.41%0.00631%0.314CS..  trans-58.5142.7-177.8-23.232.4000112.7M41 R42 L45 F57P36-M41 HydrophobicContact CB-CB 3.64Å; P36-M41 HydrophobicContact CB-CG 3.43Å; P36-M41 VanDerWaalsContact CB-CG 3.43Å; P36-M41 HydrophobicContact CG-CB 4.28Å; P36-M41 HydrophobicContact CG-CG 3.66Å; P36-R42 HydrophobicContact CB-CB 4.3Å; P36-R42 HydrophobicContact CG-CB 4.46Å; P36-R42 PolarHBondContact O-NH2 3.23Å; P36-L45 HydrophobicContact CG-CD1 3.5Å; P36-L45 VanDerWaalsContact CG-CD1 3.5Å; P36-L45 HydrophobicContact CG-CG 4.39Å; P36-F57 HydrophobicContact CB-CD1 4.28Å; P36-F57 HydrophobicContact CB-CD2 4.49Å; P36-F57 HydrophobicContact CB-CE1 4.31Å; P36-F57 HydrophobicContact CB-CG 4.38Å; P36-F57 HydrophobicContact CB-CZ 4.41Å; P36-F57 HydrophobicContact CG-CB 4.01Å; P36-F57 HydrophobicContact CG-CD1 3.97Å; P36-F57 HydrophobicContact CG-CD2 4.11Å; P36-F57 HydrophobicContact CG-CE1 4.48Å; P36-F57 HydrophobicContact CG-CG 3.76Å
37E89.1Confident95Very high89 Ų8959.6 Ų59.642%0.41630%0.303SS..SBendtrans-75.5-38.6178.4-49.995.7166.900111.4R42 R59 K67E37-R42 PolarHBondContact O-NH2 2.97Å; E37-R59 IonicContact OE1-CZ 2.63Å; E37-R59 IonicContact OE1-NE 3.03Å; E37-R59 IonicContact OE1-NH2 2.6Å; E37-R59 PolarHBondContact OE1-NH2 3.01Å; E37-K67 IonicContact OE1-NZ 3.52Å; E37-K67 WeakPolarHBondContact OE2-CE 3.43Å; E37-K67 IonicContact OE2-NZ 3.9Å; E37-K67 PolarHBondContact OE2-NZ 3.39Å
38T91Very high95.2Very high64 Ų6459.3 Ų59.339%0.39330%0.302SS..SBendtrans-84143-175.864.90000112.7S40 M41 R42T38-S40 VanDerWaalsContact C-N 3.32Å; T38-S40 PolarHBondContact O-N 3.49Å; T38-M41 PolarHBondContact O-N 3.22Å; T38-M41 WeakPolarHBondContact OG1-CB 3.39Å; T38-M41 PolarHBondContact OG1-N 3.01Å; T38-R42 WeakPolarHBondContact O-CB 3.33Å; T38-R42 PolarHBondContact O-N 2.96Å
39S92.9Very high95.4Very high76 Ų7656.2 Ų56.253%0.53129%0.286SS..Hα-helixtrans-60.4-40177.551.80000112.6R42 S43S39-R42 PolarHBondContact O-N 3.35Å; S39-S43 WeakPolarHBondContact O-CB 3.32Å; S39-S43 PolarHBondContact O-N 2.9Å; S39-S43 PolarHBondContact O-OG 3.38Å
40S94.1Very high95.5Very high16 Ų1653.6 Ų53.611%0.11229%0.285CS..Hα-helixtrans-64.3-43179.156.50000112.2T38 S43 T44 R122T38-S40 VanDerWaalsContact C-N 3.32Å; T38-S40 PolarHBondContact O-N 3.49Å; S40-S43 PolarHBondContact O-OG 2.82Å; S40-T44 WeakPolarHBondContact O-CB 3.47Å; S40-T44 PolarHBondContact O-N 2.99Å; S40-T44 VanDerWaalsContact O-N 3.11Å; S40-T44 PolarHBondContact O-OG1 3.43Å; S40-R122 WeakPolarHBondContact CB-O 3.37Å
41M95.7Very high95.6Very high18 Ų1856.1 Ų56.19%0.08930%0.296CS..Hα-helixtrans-67.3-47.9176.3-172.966.27800110.9P36 T38 S43 T44 L45 F57 V69 F115 F119P36-M41 HydrophobicContact CB-CB 3.64Å; P36-M41 HydrophobicContact CB-CG 3.43Å; P36-M41 VanDerWaalsContact CB-CG 3.43Å; P36-M41 HydrophobicContact CG-CB 4.28Å; P36-M41 HydrophobicContact CG-CG 3.66Å; T38-M41 PolarHBondContact O-N 3.22Å; T38-M41 WeakPolarHBondContact OG1-CB 3.39Å; T38-M41 PolarHBondContact OG1-N 3.01Å; M41-S43 PolarHBondContact O-N 3.46Å; M41-T44 WeakPolarHBondContact O-CB 3.41Å; M41-T44 PolarHBondContact O-N 3.25Å; M41-L45 HydrophobicContact CG-CD1 4.43Å; M41-L45 WeakPolarHBondContact O-CG 3.3Å; M41-L45 PolarHBondContact O-N 2.98Å; M41-F57 HydrophobicContact CG-CD2 4.35Å; M41-F57 HydrophobicContact CG-CE2 4.31Å; M41-V69 HydrophobicContact SD-CG2 4.32Å; M41-F115 HydrophobicContact CE-CZ 3.91Å; M41-F115 HydrophobicContact SD-CE2 3.58Å; M41-F115 VanDerWaalsContact SD-CE2 3.58Å; M41-F115 HydrophobicContact SD-CZ 3.5Å; M41-F115 WeakPolarHBondContact SD-CZ 3.37Å; M41-F119 HydrophobicContact CB-CE2 4.2Å; M41-F119 HydrophobicContact CE-CD2 4.26Å; M41-F119 HydrophobicContact CE-CE2 3.9Å; M41-F119 HydrophobicContact CE-CZ 4.46Å; M41-F119 HydrophobicContact SD-CD2 4.24Å; M41-F119 HydrophobicContact SD-CE2 4.33Å
42R96.5Very high95.5Very high88 Ų8857.6 Ų57.633%0.33232%0.315SS..Hα-helixtrans-57-52.7179.9-171.4-179.7-56.7110.94.7112.1P36 E37 T38 S39 T44 L45 E46P36-R42 HydrophobicContact CB-CB 4.3Å; P36-R42 HydrophobicContact CG-CB 4.46Å; P36-R42 PolarHBondContact O-NH2 3.23Å; E37-R42 PolarHBondContact O-NH2 2.97Å; T38-R42 WeakPolarHBondContact O-CB 3.33Å; T38-R42 PolarHBondContact O-N 2.96Å; S39-R42 PolarHBondContact O-N 3.35Å; R42-T44 VanDerWaalsContact C-N 3.26Å; R42-T44 PolarHBondContact O-N 3.38Å; R42-L45 PolarHBondContact O-N 3.05Å; R42-E46 HydrophobicContact CG-CG 4.42Å; R42-E46 WeakPolarHBondContact CG-OE1 3.48Å; R42-E46 WeakPolarHBondContact O-CB 3.46Å; R42-E46 WeakPolarHBondContact O-CG 3.33Å; R42-E46 PolarHBondContact O-N 3.31Å
43S96.3Very high95.5Very high39 Ų3953.7 Ų53.727%0.27330%0.297SS..Hα-helixtrans-65.8-27179.755.70000113.3S39 S40 M41 S47 R122S39-S43 WeakPolarHBondContact O-CB 3.32Å; S39-S43 PolarHBondContact O-N 2.9Å; S39-S43 PolarHBondContact O-OG 3.38Å; S40-S43 PolarHBondContact O-OG 2.82Å; M41-S43 PolarHBondContact O-N 3.46Å; S43-S47 VanDerWaalsContact O-CB 3.31Å; S43-S47 WeakPolarHBondContact O-CB 3.46Å; S43-S47 PolarHBondContact O-N 3.05Å; S43-S47 VanDerWaalsContact O-N 3.15Å; S43-R122 PolarHBondContact O-NE 3.35Å; S43-R122 VanDerWaalsContact O-NE 3.14Å; S43-R122 VanDerWaalsContact OG-CD 3.3Å; S43-R122 WeakPolarHBondContact OG-CD 3.5Å
44T97.4Very high95.6Very high0 Ų051.7 Ų51.70%029%0.285CS..Hα-helixtrans-66.7-51.4171.7-60.90000110.6S40 M41 R42 S47 M48 F115 E118 F119 R122S40-T44 WeakPolarHBondContact O-CB 3.47Å; S40-T44 PolarHBondContact O-N 2.99Å; S40-T44 VanDerWaalsContact O-N 3.11Å; S40-T44 PolarHBondContact O-OG1 3.43Å; M41-T44 WeakPolarHBondContact O-CB 3.41Å; M41-T44 PolarHBondContact O-N 3.25Å; R42-T44 VanDerWaalsContact C-N 3.26Å; R42-T44 PolarHBondContact O-N 3.38Å; T44-S47 WeakPolarHBondContact O-CB 3.42Å; T44-S47 PolarHBondContact O-N 3.48Å; T44-M48 HydrophobicContact CG2-SD 4.48Å; T44-M48 WeakPolarHBondContact O-CG 3.42Å; T44-M48 PolarHBondContact O-N 3.46Å; T44-M48 VanDerWaalsContact O-N 3.09Å; T44-F115 HydrophobicContact CG2-CD2 3.63Å; T44-F115 HydrophobicContact CG2-CE2 3.85Å; T44-E118 HydrophobicContact CG2-CB 3.8Å; T44-F119 HydrophobicContact CG2-CB 4.17Å; T44-F119 VanDerWaalsContact OG1-CA 3.28Å; T44-F119 WeakPolarHBondContact OG1-CA 3.33Å; T44-R122 VanDerWaalsContact OG1-CD 3.25Å; T44-R122 WeakPolarHBondContact OG1-CD 3.25Å
45L97.7Very high95.6Very high0 Ų049.4 Ų49.40%027%0.273CS..Hα-helixtrans-66.9-40.6-178.3-61.3-173.4000111.9P36 M41 R42 S47 M48 R49 V55 F57 V69 F115P36-L45 HydrophobicContact CG-CD1 3.5Å; P36-L45 VanDerWaalsContact CG-CD1 3.5Å; P36-L45 HydrophobicContact CG-CG 4.39Å; M41-L45 HydrophobicContact CG-CD1 4.43Å; M41-L45 WeakPolarHBondContact O-CG 3.3Å; M41-L45 PolarHBondContact O-N 2.98Å; R42-L45 PolarHBondContact O-N 3.05Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 3.23Å; L45-M48 PolarHBondContact O-N 3.5Å; L45-R49 WeakPolarHBondContact O-CB 3.41Å; L45-R49 WeakPolarHBondContact O-CD 3.32Å; L45-R49 WeakPolarHBondContact O-CG 3.41Å; L45-R49 PolarHBondContact O-N 3.35Å; L45-V55 HydrophobicContact CB-CG1 4.4Å; L45-V55 HydrophobicContact CD2-CG1 3.98Å; L45-V55 HydrophobicContact CD2-CG2 3.74Å; L45-F57 HydrophobicContact CD1-CB 3.6Å; L45-F57 HydrophobicContact CD1-CD2 4.43Å; L45-F57 HydrophobicContact CD1-CG 4.32Å; L45-V69 HydrophobicContact CD2-CG1 4.2Å; L45-F115 HydrophobicContact CD2-CD2 4.06Å; L45-F115 HydrophobicContact CD2-CE2 3.8Å
46E97.2Very high95.7Very high102 Ų10245.5 Ų45.548%0.47726%0.255SS..Hα-helixtrans-59.2-43174.1-74.7170.917600111.8R42 R49 A50R42-E46 HydrophobicContact CG-CG 4.42Å; R42-E46 WeakPolarHBondContact CG-OE1 3.48Å; R42-E46 WeakPolarHBondContact O-CB 3.46Å; R42-E46 WeakPolarHBondContact O-CG 3.33Å; R42-E46 PolarHBondContact O-N 3.31Å; E46-R49 PolarHBondContact O-N 2.83Å; E46-A50 WeakPolarHBondContact O-CB 3.14Å; E46-A50 PolarHBondContact O-N 3.33Å
47S97.2Very high96Very high30 Ų3045.6 Ų45.621%0.2126%0.256CS..Hα-helixtrans-59.8-48175.6-1750000112S43 T44 L45 A50 Q51 E118 R122S43-S47 VanDerWaalsContact O-CB 3.31Å; S43-S47 WeakPolarHBondContact O-CB 3.46Å; S43-S47 PolarHBondContact O-N 3.05Å; S43-S47 VanDerWaalsContact O-N 3.15Å; T44-S47 WeakPolarHBondContact O-CB 3.42Å; T44-S47 PolarHBondContact O-N 3.48Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 3.23Å; S47-A50 PolarHBondContact O-N 3.19Å; S47-Q51 WeakPolarHBondContact O-CG 3.34Å; S47-Q51 PolarHBondContact O-N 2.97Å; S47-E118 PolarHBondContact OG-OE2 3.37Å; S47-R122 PolarHBondContact OG-NH2 2.99Å
48M97.6Very high96.4Very high0 Ų041.3 Ų41.30%024%0.236CC..Hα-helixtrans-65.6-41.3178.6-65.4-175.182.100111.8T44 L45 A50 Q51 G52 V53 V55 F71 L111 W114 F115T44-M48 HydrophobicContact CG2-SD 4.48Å; T44-M48 WeakPolarHBondContact O-CG 3.42Å; T44-M48 PolarHBondContact O-N 3.46Å; T44-M48 VanDerWaalsContact O-N 3.09Å; L45-M48 PolarHBondContact O-N 3.5Å; M48-A50 VanDerWaalsContact C-N 3.35Å; M48-A50 PolarHBondContact O-N 3.37Å; M48-Q51 CarbonylContact O-C 3.43Å; M48-Q51 PolarHBondContact O-N 3.25Å; M48-Q51 VanDerWaalsContact O-N 3.09Å; M48-G52 PolarHBondContact O-N 3.36Å; M48-V53 HydrophobicContact CB-CB 4.21Å; M48-V53 HydrophobicContact CE-CG1 4.36Å; M48-V53 WeakPolarHBondContact O-CB 3.02Å; M48-V53 PolarHBondContact O-N 2.8Å; M48-V55 HydrophobicContact CB-CG1 4.28Å; M48-F71 HydrophobicContact CE-CD1 4.48Å; M48-F71 HydrophobicContact CE-CE1 3.55Å; M48-F71 HydrophobicContact CE-CZ 4.12Å; M48-F71 HydrophobicContact SD-CE1 4Å; M48-F71 HydrophobicContact SD-CZ 4.31Å; M48-L111 HydrophobicContact CE-CD2 4.16Å; M48-W114 HydrophobicContact CE-CB 4.35Å; M48-W114 HydrophobicContact CE-CD2 3.91Å; M48-W114 HydrophobicContact CE-CE3 3.98Å; M48-W114 HydrophobicContact CE-CG 4.1Å; M48-F115 HydrophobicContact CE-CB 4.13Å; M48-F115 HydrophobicContact SD-CB 3.78Å; M48-F115 HydrophobicContact SD-CD2 4.03Å; M48-F115 HydrophobicContact SD-CG 4.43Å
49R97.5Very high96.7Very high79 Ų7939.4 Ų39.430%0.29822%0.221SC..Hα-helixtrans-60.7-42.3175-72165.5-177.3171.1-4.5111.4E35 L45 E46 Q51 G52 V53 V55E35-R49 IonicContact OE1-CZ 3.61Å; E35-R49 IonicContact OE1-NH1 3.95Å; E35-R49 PolarHBondContact OE1-NH1 3.16Å; E35-R49 IonicContact OE1-NH2 2.98Å; E35-R49 IonicContact OE2-NH1 3.04Å; E35-R49 PolarHBondContact OE2-NH1 2.93Å; E35-R49 VanDerWaalsContact OE2-NH1 3.13Å; E35-R49 IonicContact OE2-NH2 2.84Å; L45-R49 WeakPolarHBondContact O-CB 3.41Å; L45-R49 WeakPolarHBondContact O-CD 3.32Å; L45-R49 WeakPolarHBondContact O-CG 3.41Å; L45-R49 PolarHBondContact O-N 3.35Å; E46-R49 PolarHBondContact O-N 2.83Å; R49-Q51 PolarHBondContact O-N 3.02Å; R49-G52 PolarHBondContact O-N 2.87Å; R49-V53 WeakPolarHBondContact CA-O 3.45Å; R49-V55 HydrophobicContact CG-CG1 3.92Å; R49-V55 PolarHBondContact NE-O 2.95Å; R49-V55 VanDerWaalsContact NE-O 3.12Å; R49-V55 PolarHBondContact NH2-O 3.28Å
50A97.3Very high96.9Very high86 Ų8638 Ų3871%0.71120%0.204SC*.Hα-helixtrans-62.2-24.9175.900000112.9E46 S47 M48 G52E46-A50 WeakPolarHBondContact O-CB 3.14Å; E46-A50 PolarHBondContact O-N 3.33Å; S47-A50 PolarHBondContact O-N 3.19Å; M48-A50 VanDerWaalsContact C-N 3.35Å; M48-A50 PolarHBondContact O-N 3.37Å; A50-G52 VanDerWaalsContact C-N 3.31Å
51Q95.9Very high97Very high107 Ų10741.6 Ų41.650%0.522%0.222SC..THydrogen-bonded Turntrans-91.612.8175.4-64.3-69.8-2500113.6S47 M48 R49 R79 W114S47-Q51 WeakPolarHBondContact O-CG 3.34Å; S47-Q51 PolarHBondContact O-N 2.97Å; M48-Q51 CarbonylContact O-C 3.43Å; M48-Q51 PolarHBondContact O-N 3.25Å; M48-Q51 VanDerWaalsContact O-N 3.09Å; R49-Q51 PolarHBondContact O-N 3.02Å; Q51-R79 PolarHBondContact O-NH2 3.39Å; Q51-W114 HydrophobicContact CB-CH2 3.6Å; Q51-W114 HydrophobicContact CB-CZ2 3.96Å; Q51-W114 HydrophobicContact CG-CH2 4.13Å; Q51-W114 HydrophobicContact CG-CZ2 4.01Å
52G95.8Very high96.9Very high49 Ų4941.8 Ų41.851%0.50522%0.223SC..THydrogen-bonded Turntrans83.67.9175.900000115.1M48 R49 A50M48-G52 PolarHBondContact O-N 3.36Å; R49-G52 PolarHBondContact O-N 2.87Å; A50-G52 VanDerWaalsContact C-N 3.31Å
53V96.9Very high96.6Very high2 Ų243 Ų431%0.01224%0.237CC..  trans-83.1118.5176.5-176.90000109.5M48 R49 V55 F71 L111 W114M48-V53 HydrophobicContact CB-CB 4.21Å; M48-V53 HydrophobicContact CE-CG1 4.36Å; M48-V53 WeakPolarHBondContact O-CB 3.02Å; M48-V53 PolarHBondContact O-N 2.8Å; R49-V53 WeakPolarHBondContact CA-O 3.45Å; V53-V55 HydrophobicContact CG1-CB 4.49Å; V53-V55 PolarHBondContact O-N 3.47Å; V53-F71 HydrophobicContact CG1-CD1 4.04Å; V53-F71 HydrophobicContact CG1-CE1 4.39Å; V53-L111 HydrophobicContact CG1-CD2 3.67Å; V53-L111 HydrophobicContact CG2-CD2 3.98Å; V53-W114 HydrophobicContact CG2-CE3 4.32Å; V53-W114 HydrophobicContact CG2-CH2 3.86Å; V53-W114 HydrophobicContact CG2-CZ3 3.48Å; V53-W114 VanDerWaalsContact CG2-CZ3 3.48Å
54K97Very high96.4Very high81 Ų8143 Ų4335%0.35224%0.242SC..  trans-79.1106.7170.7176.2177.1164.5-152.60109.3D72 T75K54-D72 HydrophobicContact CB-CB 3.92Å; K54-D72 HydrophobicContact CD-CB 3.95Å; K54-D72 WeakPolarHBondContact CD-OD2 3.44Å; K54-D72 WeakPolarHBondContact CE-OD2 3.23Å; K54-D72 HydrophobicContact CG-CB 3.92Å; K54-D72 IonicContact NZ-OD2 3.18Å; K54-D72 PolarHBondContact NZ-OD2 3.41Å; K54-D72 PolarHBondContact O-N 3.16Å; K54-T75 HydrophobicContact CB-CG2 3.52Å; K54-T75 HydrophobicContact CD-CG2 4.33Å; K54-T75 PolarHBondContact N-OG1 2.96Å; K54-T75 VanDerWaalsContact N-OG1 3.14Å
55V97.6Very high96.3Very high4 Ų446.9 Ų46.92%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-129131.6176.858.50000109.7L45 M48 R49 V53 V69 L70 F71L45-V55 HydrophobicContact CB-CG1 4.4Å; L45-V55 HydrophobicContact CD2-CG1 3.98Å; L45-V55 HydrophobicContact CD2-CG2 3.74Å; M48-V55 HydrophobicContact CB-CG1 4.28Å; R49-V55 HydrophobicContact CG-CG1 3.92Å; R49-V55 PolarHBondContact NE-O 2.95Å; R49-V55 VanDerWaalsContact NE-O 3.12Å; R49-V55 PolarHBondContact NH2-O 3.28Å; V53-V55 HydrophobicContact CG1-CB 4.49Å; V53-V55 PolarHBondContact O-N 3.47Å; V55-V69 HydrophobicContact CG2-CG1 3.54Å; V55-L70 WeakPolarHBondContact CA-O 3.13Å; V55-F71 HydrophobicContact CB-CD1 3.84Å; V55-F71 HydrophobicContact CB-CE1 3.77Å; V55-F71 HydrophobicContact CG2-CD1 3.75Å; V55-F71 HydrophobicContact CG2-CE1 3.45Å; V55-F71 VanDerWaalsContact CG2-CE1 3.45Å; V55-F71 HydrophobicContact CG2-CG 4.43Å; V55-F71 HydrophobicContact CG2-CZ 3.92Å
56I96.6Very high96.3Very high24 Ų2446.9 Ų46.912%0.12326%0.257CS..EExtended strand (participates in β ladder)trans-110.9149.4176.466.9157.2000110.7Y22 V27 M33 V69 L70Y22-I56 HydrophobicContact CD2-CD1 3.64Å; Y22-I56 HydrophobicContact CD2-CG1 3.86Å; Y22-I56 HydrophobicContact CD2-CG2 4.49Å; Y22-I56 HydrophobicContact CE2-CD1 3.73Å; Y22-I56 HydrophobicContact CE2-CG1 4.28Å; Y22-I56 HydrophobicContact CE2-CG2 4.37Å; V27-I56 HydrophobicContact CG1-CD1 3.63Å; V27-I56 HydrophobicContact CG2-CD1 4.06Å; M33-I56 HydrophobicContact CG-CD1 4.36Å; I56-V69 WeakPolarHBondContact O-CA 3.31Å; I56-L70 HydrophobicContact CD1-CB 4.2Å; I56-L70 HydrophobicContact CD1-CD1 4.04Å; I56-L70 HydrophobicContact CG1-CB 3.71Å; I56-L70 HydrophobicContact CG1-CD1 4.43Å; I56-L70 HydrophobicContact CG1-CG 4.41Å; I56-L70 PolarHBondContact N-O 2.92Å; I56-L70 PolarHBondContact O-N 2.87Å
57F98.1Very high96.3Very high3 Ų342.8 Ų42.81%0.01324%0.238CC..EExtended strand (participates in β ladder)trans-115.4150.4169.4179.1-94.2000108.7L34 P36 M41 L45 K67 V68 V69L34-F57 HydrophobicContact CB-CD1 4.15Å; L34-F57 HydrophobicContact CB-CE1 4.3Å; L34-F57 PolarHBondContact N-O 3.44Å; L34-F57 CarbonylContact O-C 3.55Å; L34-F57 WeakPolarHBondContact O-CD1 3.26Å; P36-F57 HydrophobicContact CB-CD1 4.28Å; P36-F57 HydrophobicContact CB-CD2 4.49Å; P36-F57 HydrophobicContact CB-CE1 4.31Å; P36-F57 HydrophobicContact CB-CG 4.38Å; P36-F57 HydrophobicContact CB-CZ 4.41Å; P36-F57 HydrophobicContact CG-CB 4.01Å; P36-F57 HydrophobicContact CG-CD1 3.97Å; P36-F57 HydrophobicContact CG-CD2 4.11Å; P36-F57 HydrophobicContact CG-CE1 4.48Å; P36-F57 HydrophobicContact CG-CG 3.76Å; M41-F57 HydrophobicContact CG-CD2 4.35Å; M41-F57 HydrophobicContact CG-CE2 4.31Å; L45-F57 HydrophobicContact CD1-CB 3.6Å; L45-F57 HydrophobicContact CD1-CD2 4.43Å; L45-F57 HydrophobicContact CD1-CG 4.32Å; F57-K67 HydrophobicContact CE2-CB 4.16Å; F57-K67 HydrophobicContact CE2-CD 4.16Å; F57-K67 HydrophobicContact CE2-CG 4.29Å; F57-K67 HydrophobicContact CZ-CB 4.28Å; F57-K67 HydrophobicContact CZ-CD 3.85Å; F57-K67 HydrophobicContact CZ-CG 3.94Å; F57-V68 WeakPolarHBondContact CA-O 3.47Å; F57-V69 HydrophobicContact CD2-CG2 3.95Å
58G97.3Very high96.3Very high0 Ų041.7 Ų41.70%023%0.23CC..EExtended strand (participates in β ladder)trans178.8-163.8179.500000112E32 K67 V68E32-G58 CarbonylContact O-C 3.52Å; E32-G58 WeakPolarHBondContact O-CA 3.32Å; G58-K67 WeakPolarHBondContact O-CA 3.14Å; G58-V68 PolarHBondContact N-O 3.46Å; G58-V68 VanDerWaalsContact N-O 3.09Å; G58-V68 WeakPolarHBondContact O-CG2 3.46Å; G58-V68 PolarHBondContact O-N 3.28Å
59R97.6Very high96.4Very high23 Ų2341.7 Ų41.79%0.08723%0.23CC..EExtended strand (participates in β ladder)trans-128.7137.5173.3-70.5178.9-177.4-105.74.2111E14 V31 E32 L34 E37 Y65 P66E14-R59 IonicContact OE1-CZ 3.55Å; E14-R59 IonicContact OE1-NH1 3.43Å; E14-R59 PolarHBondContact OE1-NH1 3.04Å; E14-R59 IonicContact OE1-NH2 2.65Å; E14-R59 PolarHBondContact OE1-NH2 3.43Å; E14-R59 IonicContact OE2-CZ 2.58Å; E14-R59 IonicContact OE2-NH1 2.71Å; E14-R59 IonicContact OE2-NH2 3.85Å; E14-R59 PolarHBondContact OE2-NH2 3.39Å; V31-R59 WeakPolarHBondContact CA-O 3.34Å; E32-R59 PolarHBondContact N-O 3.26Å; E32-R59 PolarHBondContact O-N 3.34Å; L34-R59 HydrophobicContact CD1-CB 4.41Å; L34-R59 HydrophobicContact CD1-CG 3.92Å; E37-R59 IonicContact OE1-CZ 2.63Å; E37-R59 IonicContact OE1-NE 3.03Å; E37-R59 IonicContact OE1-NH2 2.6Å; E37-R59 PolarHBondContact OE1-NH2 3.01Å; R59-Y65 HydrophobicContact CB-CD1 4.44Å; R59-Y65 HydrophobicContact CB-CD2 3.66Å; R59-Y65 HydrophobicContact CB-CE1 4.17Å; R59-Y65 HydrophobicContact CB-CE2 3.32Å; R59-Y65 HydrophobicContact CB-CG 4.2Å; R59-Y65 VanDerWaalsContact CD-CD1 3.47Å; R59-Y65 HydrophobicContact CG-CE1 4.22Å; R59-Y65 HydrophobicContact CG-CE2 4.24Å; R59-Y65 PolarHBondContact NH1-O 3.43Å; R59-P66 VanDerWaalsContact CA-O 3.27Å; R59-P66 WeakPolarHBondContact CA-O 3.45Å
60W97.3Very high96.4Very high46 Ų4639 Ų3917%0.17422%0.221CC..EExtended strand (participates in β ladder)trans-77.9126.4178.3-163.47.9000109.5R2 M18 E30 I62 P66 V68R2-W60 HydrophobicContact CB-CH2 3.71Å; R2-W60 HydrophobicContact CB-CZ2 4.38Å; R2-W60 HydrophobicContact CB-CZ3 4.23Å; R2-W60 HydrophobicContact CG-CH2 3.98Å; R2-W60 HydrophobicContact CG-CZ2 4.21Å; M18-W60 HydrophobicContact CE-CE3 4.34Å; M18-W60 HydrophobicContact CE-CZ3 3.91Å; M18-W60 HydrophobicContact SD-CE3 4Å; M18-W60 HydrophobicContact SD-CZ3 4.15Å; E30-W60 VanDerWaalsContact O-CD1 3.29Å; E30-W60 PolarHBondContact OE2-NE1 2.96Å; W60-I62 HydrophobicContact CB-CG1 4.1Å; W60-I62 HydrophobicContact CD2-CD1 3.59Å; W60-I62 HydrophobicContact CD2-CG1 3.88Å; W60-I62 HydrophobicContact CD2-CG2 3.97Å; W60-I62 HydrophobicContact CE3-CD1 3.31Å; W60-I62 HydrophobicContact CE3-CG1 4.08Å; W60-I62 HydrophobicContact CG-CD1 4.14Å; W60-I62 HydrophobicContact CG-CG1 3.89Å; W60-I62 HydrophobicContact CG-CG2 4.02Å; W60-I62 HydrophobicContact CH2-CD1 4.32Å; W60-I62 HydrophobicContact CZ2-CG2 4.34Å; W60-I62 HydrophobicContact CZ3-CD1 3.72Å; W60-I62 PolarHBondContact O-N 3Å; W60-P66 HydrophobicContact CB-CG 4.06Å; W60-P66 PolarHBondContact N-O 3.46Å; W60-V68 HydrophobicContact CB-CG1 3.83Å
61L96.4Very high96.5Very high92 Ų9234.9 Ų34.948%0.48219%0.187SC..SBendtrans-75.863.6179.6-61.1174.3000111.2E30 E32 Y65E30-L61 VanDerWaalsContact O-CB 3.24Å; E30-L61 WeakPolarHBondContact O-CB 3.45Å; E30-L61 WeakPolarHBondContact O-CG 3.49Å; E30-L61 PolarHBondContact O-N 3.42Å; E32-L61 HydrophobicContact CB-CD2 4.24Å; L61-Y65 HydrophobicContact CD2-CD2 4.38Å; L61-Y65 HydrophobicContact CD2-CE2 3.98Å
62I93.6Very high96.5Very high22 Ų2231.4 Ų31.411%0.11317%0.172CC..SBendtrans-134.5171.2175.562.7164.3000109.6R2 A5 W60 G64 Y65 P66R2-I62 HydrophobicContact CG-CD1 3.91Å; R2-I62 HydrophobicContact CG-CG2 4.2Å; A5-I62 HydrophobicContact CB-CD1 3.68Å; W60-I62 HydrophobicContact CB-CG1 4.1Å; W60-I62 HydrophobicContact CD2-CD1 3.59Å; W60-I62 HydrophobicContact CD2-CG1 3.88Å; W60-I62 HydrophobicContact CD2-CG2 3.97Å; W60-I62 HydrophobicContact CE3-CD1 3.31Å; W60-I62 HydrophobicContact CE3-CG1 4.08Å; W60-I62 HydrophobicContact CG-CD1 4.14Å; W60-I62 HydrophobicContact CG-CG1 3.89Å; W60-I62 HydrophobicContact CG-CG2 4.02Å; W60-I62 HydrophobicContact CH2-CD1 4.32Å; W60-I62 HydrophobicContact CZ2-CG2 4.34Å; W60-I62 HydrophobicContact CZ3-CD1 3.72Å; W60-I62 PolarHBondContact O-N 3Å; I62-G64 PolarHBondContact O-N 3.41Å; I62-Y65 PolarHBondContact O-N 3.26Å; I62-P66 HydrophobicContact CD1-CG 4.29Å; I62-P66 HydrophobicContact CG1-CG 4.31Å
63D90.3Very high96.6Very high115 Ų11530.6 Ų30.662%0.61516%0.156SC*.THydrogen-bonded Turntrans-52.1127.1172-61.4-22.9000111.3A6A6-D63 HydrophobicContact CB-CB 4.05Å; A6-D63 PolarHBondContact N-O 3.25Å
64G91.5Very high96.5Very high37 Ų3732.9 Ų32.938%0.38118%0.18SC..THydrogen-bonded Turntrans95.8-18.7-174.700000114.9T9 I62 P66T9-G64 VanDerWaalsContact CG2-O 3.23Å; T9-G64 WeakPolarHBondContact CG2-O 3.29Å; I62-G64 PolarHBondContact O-N 3.41Å; G64-P66 VanDerWaalsContact C-N 3.34Å
65Y96.1Very high96.4Very high82 Ų8230.9 Ų30.932%0.32217%0.174SC..  trans46.250.3177.4-169.5-127.8000113.9E32 R59 L61 I62E32-Y65 VanDerWaalsContact CD-OH 3.22Å; E32-Y65 PolarHBondContact OE2-OH 3.02Å; R59-Y65 HydrophobicContact CB-CD1 4.44Å; R59-Y65 HydrophobicContact CB-CD2 3.66Å; R59-Y65 HydrophobicContact CB-CE1 4.17Å; R59-Y65 HydrophobicContact CB-CE2 3.32Å; R59-Y65 HydrophobicContact CB-CG 4.2Å; R59-Y65 VanDerWaalsContact CD-CD1 3.47Å; R59-Y65 HydrophobicContact CG-CE1 4.22Å; R59-Y65 HydrophobicContact CG-CE2 4.24Å; R59-Y65 PolarHBondContact NH1-O 3.43Å; L61-Y65 HydrophobicContact CD2-CD2 4.38Å; L61-Y65 HydrophobicContact CD2-CE2 3.98Å; I62-Y65 PolarHBondContact O-N 3.26Å
66P96.8Very high96.3Very high0 Ų030.8 Ų30.80%017%0.174CC..  trans-71.7152.4-171.732.6-38.8000112A5 Y16 M18 R59 W60 I62 G64A5-P66 HydrophobicContact CB-CG 4.16Å; Y16-P66 HydrophobicContact CD1-CB 3.93Å; Y16-P66 HydrophobicContact CE1-CB 4.01Å; M18-P66 HydrophobicContact SD-CB 4.29Å; M18-P66 HydrophobicContact SD-CG 4Å; R59-P66 VanDerWaalsContact CA-O 3.27Å; R59-P66 WeakPolarHBondContact CA-O 3.45Å; W60-P66 HydrophobicContact CB-CG 4.06Å; W60-P66 PolarHBondContact N-O 3.46Å; I62-P66 HydrophobicContact CD1-CG 4.29Å; I62-P66 HydrophobicContact CG1-CG 4.31Å; G64-P66 VanDerWaalsContact C-N 3.34Å
67K97.9Very high96.2Very high16 Ų1631.9 Ų31.97%0.0719%0.187CC..EExtended strand (participates in β ladder)trans-63.5141.8169.3-66176.8-179.9179.10110.8E14 C17 M18 E37 F57 G58E14-K67 PolarHBondContact O-NZ 3Å; E14-K67 VanDerWaalsContact O-NZ 3.14Å; E14-K67 WeakPolarHBondContact OE2-CE 3.27Å; E14-K67 IonicContact OE2-NZ 2.65Å; E14-K67 PolarHBondContact OE2-NZ 3.43Å; C17-K67 WeakPolarHBondContact CA-O 3.47Å; C17-K67 HydrophobicContact CB-CB 4.1Å; M18-K67 PolarHBondContact N-O 2.83Å; E37-K67 IonicContact OE1-NZ 3.52Å; E37-K67 WeakPolarHBondContact OE2-CE 3.43Å; E37-K67 IonicContact OE2-NZ 3.9Å; E37-K67 PolarHBondContact OE2-NZ 3.39Å; F57-K67 HydrophobicContact CE2-CB 4.16Å; F57-K67 HydrophobicContact CE2-CD 4.16Å; F57-K67 HydrophobicContact CE2-CG 4.29Å; F57-K67 HydrophobicContact CZ-CB 4.28Å; F57-K67 HydrophobicContact CZ-CD 3.85Å; F57-K67 HydrophobicContact CZ-CG 3.94Å; G58-K67 WeakPolarHBondContact O-CA 3.14Å
68V97.9Very high96Very high7 Ų739.7 Ų39.74%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-129.4139173.6-65.20000111.3M18 V31 F57 G58 W60 L70M18-V68 HydrophobicContact CB-CG1 4.24Å; M18-V68 CarbonylContact O-C 3.6Å; M18-V68 VanDerWaalsContact O-CA 3.3Å; M18-V68 WeakPolarHBondContact O-CA 3.32Å; V31-V68 HydrophobicContact CG1-CG2 3.76Å; V31-V68 HydrophobicContact CG2-CG2 4.43Å; F57-V68 WeakPolarHBondContact CA-O 3.47Å; G58-V68 PolarHBondContact N-O 3.46Å; G58-V68 VanDerWaalsContact N-O 3.09Å; G58-V68 WeakPolarHBondContact O-CG2 3.46Å; G58-V68 PolarHBondContact O-N 3.28Å; W60-V68 HydrophobicContact CB-CG1 3.83Å; V68-L70 HydrophobicContact CB-CD2 4.4Å; V68-L70 HydrophobicContact CB-CG 4.3Å; V68-L70 HydrophobicContact CG2-CD1 4.39Å; V68-L70 HydrophobicContact CG2-CG 4.39Å
69V98.3Very high96Very high0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-116.1117.7164.91740000107.4M18 I19 G20 M41 L45 V55 I56 F57 F71 F115M18-V69 PolarHBondContact O-N 3.01Å; I19-V69 WeakPolarHBondContact CA-O 3.19Å; I19-V69 HydrophobicContact CG1-CB 4.38Å; G20-V69 PolarHBondContact N-O 3.41Å; G20-V69 VanDerWaalsContact N-O 3.12Å; M41-V69 HydrophobicContact SD-CG2 4.32Å; L45-V69 HydrophobicContact CD2-CG1 4.2Å; V55-V69 HydrophobicContact CG2-CG1 3.54Å; I56-V69 WeakPolarHBondContact O-CA 3.31Å; F57-V69 HydrophobicContact CD2-CG2 3.95Å; V69-F71 HydrophobicContact CG1-CD2 4.45Å; V69-F71 HydrophobicContact CG1-CE2 3.74Å; V69-F71 HydrophobicContact CG1-CZ 3.76Å; V69-F115 HydrophobicContact CG1-CE2 4.32Å; V69-F115 HydrophobicContact CG2-CE2 4.37Å; V69-F115 HydrophobicContact CG2-CZ 4.19Å
70L98.4Very high96Very high22 Ų2241.6 Ų41.612%0.11522%0.224CC..EExtended strand (participates in β ladder)trans-118.2126.9-175.3-54.8175.1000111.6G20 Y22 V27 V31 V55 I56 V68G20-L70 VanDerWaalsContact O-CA 3.27Å; G20-L70 WeakPolarHBondContact O-CA 3.22Å; Y22-L70 HydrophobicContact CD2-CB 4.46Å; V27-L70 HydrophobicContact CG2-CD1 3.6Å; V31-L70 HydrophobicContact CG2-CD1 4.15Å; V55-L70 WeakPolarHBondContact CA-O 3.13Å; I56-L70 HydrophobicContact CD1-CB 4.2Å; I56-L70 HydrophobicContact CD1-CD1 4.04Å; I56-L70 HydrophobicContact CG1-CB 3.71Å; I56-L70 HydrophobicContact CG1-CD1 4.43Å; I56-L70 HydrophobicContact CG1-CG 4.41Å; I56-L70 PolarHBondContact N-O 2.92Å; I56-L70 PolarHBondContact O-N 2.87Å; V68-L70 HydrophobicContact CB-CD2 4.4Å; V68-L70 HydrophobicContact CB-CG 4.3Å; V68-L70 HydrophobicContact CG2-CD1 4.39Å; V68-L70 HydrophobicContact CG2-CG 4.39Å
71F98.3Very high95.9Very high0 Ų043.7 Ų43.70%024%0.239CC..EExtended strand (participates in β ladder)trans-102.2123.4-176.5-71-74.9000112I19 G20 P21 Y22 M48 V53 V55 V69 I73 F108 L111 F115I19-F71 HydrophobicContact CG2-CD2 3.88Å; I19-F71 HydrophobicContact CG2-CE2 3.57Å; G20-F71 PolarHBondContact O-N 3.49Å; P21-F71 CarbonylContact C-O 3.54Å; P21-F71 WeakPolarHBondContact CA-O 3.5Å; Y22-F71 VanDerWaalsContact CB-C 3.49Å; Y22-F71 WeakPolarHBondContact CB-O 3.28Å; Y22-F71 PolarHBondContact N-O 2.92Å; M48-F71 HydrophobicContact CE-CD1 4.48Å; M48-F71 HydrophobicContact CE-CE1 3.55Å; M48-F71 HydrophobicContact CE-CZ 4.12Å; M48-F71 HydrophobicContact SD-CE1 4Å; M48-F71 HydrophobicContact SD-CZ 4.31Å; V53-F71 HydrophobicContact CG1-CD1 4.04Å; V53-F71 HydrophobicContact CG1-CE1 4.39Å; V55-F71 HydrophobicContact CB-CD1 3.84Å; V55-F71 HydrophobicContact CB-CE1 3.77Å; V55-F71 HydrophobicContact CG2-CD1 3.75Å; V55-F71 HydrophobicContact CG2-CE1 3.45Å; V55-F71 VanDerWaalsContact CG2-CE1 3.45Å; V55-F71 HydrophobicContact CG2-CG 4.43Å; V55-F71 HydrophobicContact CG2-CZ 3.92Å; V69-F71 HydrophobicContact CG1-CD2 4.45Å; V69-F71 HydrophobicContact CG1-CE2 3.74Å; V69-F71 HydrophobicContact CG1-CZ 3.76Å; F71-I73 PolarHBondContact O-N 2.84Å; F71-I73 VanDerWaalsContact O-N 3.12Å; F71-F108 HydrophobicContact CD2-CE2 4.21Å; F71-L111 HydrophobicContact CB-CD1 3.96Å; F71-L111 HydrophobicContact CD1-CB 4.09Å; F71-L111 HydrophobicContact CD1-CD1 4.16Å; F71-L111 HydrophobicContact CD1-CD2 4.45Å; F71-L111 HydrophobicContact CD1-CG 4.48Å; F71-L111 HydrophobicContact CE1-CB 4.4Å; F71-L111 HydrophobicContact CG-CB 4.17Å; F71-L111 HydrophobicContact CG-CD1 4.22Å; F71-F115 HydrophobicContact CE2-CB 4.42Å; F71-F115 HydrophobicContact CZ-CB 3.7Å; F71-F115 HydrophobicContact CZ-CD2 4.15Å; F71-F115 AromaticContact CZ-CG 3.96Å; F71-F115 HydrophobicContact CZ-CG 3.96Å
72D97.6Very high96Very high35 Ų3544.5 Ų44.519%0.18724%0.244CC..  trans-79.193.7166.7-171.1-25.1000108.9Y22 K54 G74 T75Y22-D72 HydrophobicContact CD1-CB 3.98Å; Y22-D72 HydrophobicContact CG-CB 4.3Å; K54-D72 HydrophobicContact CB-CB 3.92Å; K54-D72 HydrophobicContact CD-CB 3.95Å; K54-D72 WeakPolarHBondContact CD-OD2 3.44Å; K54-D72 WeakPolarHBondContact CE-OD2 3.23Å; K54-D72 HydrophobicContact CG-CB 3.92Å; K54-D72 IonicContact NZ-OD2 3.18Å; K54-D72 PolarHBondContact NZ-OD2 3.41Å; K54-D72 PolarHBondContact O-N 3.16Å; D72-G74 PolarHBondContact O-N 3.46Å; D72-G74 PolarHBondContact OD1-N 2.91Å; D72-T75 HydrophobicContact CB-CG2 4.19Å; D72-T75 PolarHBondContact O-N 3.17Å; D72-T75 VanDerWaalsContact O-N 3.15Å; D72-T75 PolarHBondContact O-OG1 3.44Å
73I96.1Very high96.2Very high32 Ų3244.4 Ų44.416%0.16424%0.242CC..G310 helixtrans-57.7-29.3-177.257169.1000112.3F71 T75 S76 A77 D104 I107 F108 L111F71-I73 PolarHBondContact O-N 2.84Å; F71-I73 VanDerWaalsContact O-N 3.12Å; I73-T75 PolarHBondContact O-N 3.39Å; I73-S76 PolarHBondContact O-N 2.96Å; I73-A77 PolarHBondContact O-N 3.04Å; I73-D104 HydrophobicContact CD1-CB 3.72Å; I73-I107 HydrophobicContact CB-CB 4.4Å; I73-I107 HydrophobicContact CB-CG2 3.71Å; I73-I107 HydrophobicContact CG2-CG2 4.07Å; I73-I107 WeakPolarHBondContact O-CG2 3.37Å; I73-F108 HydrophobicContact CG2-CB 4.01Å; I73-F108 HydrophobicContact CG2-CD2 4.4Å; I73-L111 HydrophobicContact CG2-CD1 4.35Å
74G94.9Very high96.5Very high49 Ų4940.2 Ų40.251%0.50522%0.218SC..G310 helixtrans-60.9-32.7179.800000112.7D72 S76 A77D72-G74 PolarHBondContact O-N 3.46Å; D72-G74 PolarHBondContact OD1-N 2.91Å; G74-S76 PolarHBondContact O-N 3.22Å; G74-A77 WeakPolarHBondContact O-CB 3.41Å; G74-A77 PolarHBondContact O-N 3.42Å
75T95.4Very high96.8Very high40 Ų4044.9 Ų44.925%0.24523%0.228CC..G310 helixtrans-67.7-17.8178.463.80000114.1K54 D72 I73 W78K54-T75 HydrophobicContact CB-CG2 3.52Å; K54-T75 HydrophobicContact CD-CG2 4.33Å; K54-T75 PolarHBondContact N-OG1 2.96Å; K54-T75 VanDerWaalsContact N-OG1 3.14Å; D72-T75 HydrophobicContact CB-CG2 4.19Å; D72-T75 PolarHBondContact O-N 3.17Å; D72-T75 VanDerWaalsContact O-N 3.15Å; D72-T75 PolarHBondContact O-OG1 3.44Å; I73-T75 PolarHBondContact O-N 3.39Å; T75-W78 VanDerWaalsContact O-CD1 3.3Å; T75-W78 PolarHBondContact O-NE1 3.48Å
76S95.4Very high96.8Very high1 Ų143.8 Ų43.81%0.00723%0.226CC..G310 helixtrans-113.27-179.6-61.90000113.3I73 G74 W78 R79I73-S76 PolarHBondContact O-N 2.96Å; G74-S76 PolarHBondContact O-N 3.22Å; S76-W78 PolarHBondContact O-N 2.67Å; S76-R79 WeakPolarHBondContact O-CB 3.4Å; S76-R79 PolarHBondContact O-N 2.78Å
77A94.3Very high96.9Very high48 Ų4843.8 Ų43.840%0.39723%0.226SC..G310 helixtrans-57.8-32.2179.600000113.1I73 G74 R79 L80 I107I73-A77 PolarHBondContact O-N 3.04Å; G74-A77 WeakPolarHBondContact O-CB 3.41Å; G74-A77 PolarHBondContact O-N 3.42Å; A77-R79 PolarHBondContact O-N 2.86Å; A77-L80 WeakPolarHBondContact O-CB 3.1Å; A77-L80 PolarHBondContact O-N 2.64Å; A77-L80 VanDerWaalsContact O-N 3.08Å; A77-I107 HydrophobicContact CB-CD1 4.23Å
78W95.2Very high96.9Very high167 Ų16749.2 Ų49.263%0.63325%0.246SC*.G310 helixtrans-65-16.5176.468.2-91.8000113.9T75 S76T75-W78 VanDerWaalsContact O-CD1 3.3Å; T75-W78 PolarHBondContact O-NE1 3.48Å; S76-W78 PolarHBondContact O-N 2.67Å
79R96.5Very high96.8Very high48 Ų4853.6 Ų53.618%0.18127%0.269CS..G310 helixtrans-88.9-7.7175.9-60.7-178179.4-104.83.9113Q51 S76 A77 D81 N82 W83Q51-R79 PolarHBondContact O-NH2 3.39Å; S76-R79 WeakPolarHBondContact O-CB 3.4Å; S76-R79 PolarHBondContact O-N 2.78Å; A77-R79 PolarHBondContact O-N 2.86Å; R79-D81 VanDerWaalsContact C-N 3.32Å; R79-D81 PolarHBondContact O-N 3.2Å; R79-N82 PolarHBondContact O-N 3.14Å; R79-W83 HydrophobicContact CB-CD2 3.9Å; R79-W83 HydrophobicContact CB-CE3 4.08Å; R79-W83 HydrophobicContact CB-CH2 4.1Å; R79-W83 HydrophobicContact CB-CZ2 3.9Å; R79-W83 HydrophobicContact CB-CZ3 4.18Å; R79-W83 VanDerWaalsContact CD-CZ2 3.46Å; R79-W83 HydrophobicContact CG-CZ2 4.33Å; R79-W83 PolarHBondContact O-N 3.19Å
80L96.9Very high96.7Very high15 Ų1556 Ų568%0.07929%0.286CS..Hα-helixtrans-54.6-43.7-171.1176.160.4000112.8A77 N82 W83 K84 N103 V106 I107A77-L80 WeakPolarHBondContact O-CB 3.1Å; A77-L80 PolarHBondContact O-N 2.64Å; A77-L80 VanDerWaalsContact O-N 3.08Å; L80-N82 PolarHBondContact O-N 2.83Å; L80-W83 CarbonylContact O-C 3.41Å; L80-W83 PolarHBondContact O-N 3.39Å; L80-K84 HydrophobicContact CD1-CD 4.24Å; L80-K84 HydrophobicContact CD1-CG 3.91Å; L80-K84 HydrophobicContact CG-CD 4.24Å; L80-K84 HydrophobicContact CG-CG 4.29Å; L80-K84 WeakPolarHBondContact O-CB 3.25Å; L80-K84 WeakPolarHBondContact O-CG 3.44Å; L80-K84 PolarHBondContact O-N 2.88Å; L80-N103 HydrophobicContact CD1-CB 4.4Å; L80-N103 HydrophobicContact CD2-CB 3.84Å; L80-V106 HydrophobicContact CD1-CB 4.14Å; L80-V106 HydrophobicContact CD1-CG1 3.92Å; L80-I107 HydrophobicContact CB-CD1 4.47Å; L80-I107 HydrophobicContact CB-CG1 4.36Å; L80-I107 HydrophobicContact CD1-CD1 4.43Å; L80-I107 HydrophobicContact CD1-CG1 3.96Å
81D96.6Very high96.4Very high89 Ų8956.8 Ų56.848%0.47629%0.293SS..Hα-helixtrans-63.9-42.2-176.8-65.5-11.1000112.1R79 W83 K84 K85 W97R79-D81 VanDerWaalsContact C-N 3.32Å; R79-D81 PolarHBondContact O-N 3.2Å; D81-W83 VanDerWaalsContact C-N 3.35Å; D81-K84 PolarHBondContact O-N 3.31Å; D81-K85 WeakPolarHBondContact O-CB 3.25Å; D81-K85 PolarHBondContact O-N 2.88Å; D81-W97 WeakPolarHBondContact OD1-CH2 3.45Å; D81-W97 WeakPolarHBondContact OD1-CZ3 3.4Å
82N97.3Very high96.3Very high109 Ų10963.1 Ų63.158%0.58332%0.322SS*.Hα-helixtrans-65.7-40.1176.1-69.5-29000111.1R79 L80 K85 E86R79-N82 PolarHBondContact O-N 3.14Å; L80-N82 PolarHBondContact O-N 2.83Å; N82-K85 PolarHBondContact O-N 3.01Å; N82-E86 PolarHBondContact O-N 3Å
83W97.6Very high96.1Very high20 Ų2062 Ų628%0.07632%0.317CS..Hα-helixtrans-72.5-35.1178.1-69.1-18.3000113.2R79 L80 D81 K85 E86 L87 V106 I107 F110 L111 W114R79-W83 HydrophobicContact CB-CD2 3.9Å; R79-W83 HydrophobicContact CB-CE3 4.08Å; R79-W83 HydrophobicContact CB-CH2 4.1Å; R79-W83 HydrophobicContact CB-CZ2 3.9Å; R79-W83 HydrophobicContact CB-CZ3 4.18Å; R79-W83 VanDerWaalsContact CD-CZ2 3.46Å; R79-W83 HydrophobicContact CG-CZ2 4.33Å; R79-W83 PolarHBondContact O-N 3.19Å; L80-W83 CarbonylContact O-C 3.41Å; L80-W83 PolarHBondContact O-N 3.39Å; D81-W83 VanDerWaalsContact C-N 3.35Å; W83-K85 VanDerWaalsContact C-N 3.32Å; W83-E86 PolarHBondContact O-N 2.96Å; W83-L87 VanDerWaalsContact O-CB 3.27Å; W83-L87 WeakPolarHBondContact O-CB 3.43Å; W83-L87 PolarHBondContact O-N 3.13Å; W83-V106 HydrophobicContact CB-CG1 4.09Å; W83-I107 HydrophobicContact CZ3-CB 4.24Å; W83-I107 HydrophobicContact CZ3-CG2 3.91Å; W83-F110 HydrophobicContact CB-CD1 3.86Å; W83-F110 HydrophobicContact CB-CD2 3.78Å; W83-F110 HydrophobicContact CB-CE1 3.88Å; W83-F110 HydrophobicContact CB-CE2 3.8Å; W83-F110 HydrophobicContact CB-CG 3.79Å; W83-F110 HydrophobicContact CB-CZ 3.85Å; W83-F110 AromaticContact CD1-CD1 3.3Å; W83-F110 AromaticContact CD1-CE1 3.62Å; W83-F110 AromaticContact CD1-CG 3.9Å; W83-F110 HydrophobicContact CD2-CB 3.47Å; W83-F110 VanDerWaalsContact CD2-CB 3.47Å; W83-F110 AromaticContact CD2-CD1 3.84Å; W83-F110 HydrophobicContact CD2-CD1 3.84Å; W83-F110 HydrophobicContact CD2-CD2 4.36Å; W83-F110 AromaticContact CD2-CG 3.64Å; W83-F110 HydrophobicContact CD2-CG 3.64Å; W83-F110 AromaticContact CE2-CD1 3.99Å; W83-F110 HydrophobicContact CE3-CB 3.55Å; W83-F110 HydrophobicContact CE3-CG 4.06Å; W83-F110 HydrophobicContact CG-CB 3.95Å; W83-F110 AromaticContact CG-CD1 3.41Å; W83-F110 HydrophobicContact CG-CD1 3.41Å; W83-F110 VanDerWaalsContact CG-CD1 3.41Å; W83-F110 HydrophobicContact CG-CD2 4.05Å; W83-F110 AromaticContact CG-CE1 3.82Å; W83-F110 HydrophobicContact CG-CE1 3.82Å; W83-F110 HydrophobicContact CG-CE2 4.4Å; W83-F110 AromaticContact CG-CG 3.52Å; W83-F110 HydrophobicContact CG-CG 3.52Å; W83-F110 HydrophobicContact CG-CZ 4.3Å; W83-F110 HydrophobicContact CH2-CB 4.08Å; W83-F110 HydrophobicContact CZ2-CB 4.03Å; W83-F110 HydrophobicContact CZ3-CB 3.84Å; W83-F110 AromaticContact NE1-CD1 3.66Å; W83-F110 WeakPolarHBondContact O-CE2 3.36Å; W83-F110 WeakPolarHBondContact O-CZ 3.45Å; W83-L111 HydrophobicContact CH2-CD2 3.88Å; W83-L111 HydrophobicContact CH2-CG 3.94Å; W83-L111 HydrophobicContact CZ3-CG 4.3Å; W83-W114 HydrophobicContact CZ2-CE3 4.47Å
84K97.2Very high96.1Very high28 Ų2862.3 Ų62.312%0.12233%0.327CS..Hα-helixtrans-61.6-42.7169.5-78.7-173.4176.6-165.90111.2L80 D81 L87 W88 I95 P96 N103L80-K84 HydrophobicContact CD1-CD 4.24Å; L80-K84 HydrophobicContact CD1-CG 3.91Å; L80-K84 HydrophobicContact CG-CD 4.24Å; L80-K84 HydrophobicContact CG-CG 4.29Å; L80-K84 WeakPolarHBondContact O-CB 3.25Å; L80-K84 WeakPolarHBondContact O-CG 3.44Å; L80-K84 PolarHBondContact O-N 2.88Å; D81-K84 PolarHBondContact O-N 3.31Å; K84-L87 PolarHBondContact O-N 3.46Å; K84-W88 WeakPolarHBondContact O-CB 3.29Å; K84-W88 PolarHBondContact O-N 2.89Å; K84-I95 HydrophobicContact CD-CB 4.33Å; K84-I95 HydrophobicContact CG-CB 4.47Å; K84-I95 PolarHBondContact NZ-O 3.06Å; K84-I95 VanDerWaalsContact NZ-O 3.07Å; K84-P96 PolarHBondContact NZ-O 2.86Å; K84-N103 WeakPolarHBondContact CE-OD1 3Å; K84-N103 PolarHBondContact NZ-OD1 3.44Å
85K97.6Very high96.2Very high135 Ų13560.9 Ų60.959%0.58731%0.308SS*.Hα-helixtrans-62.2-49.6174.8-177176.4178.3-179.60111.4D81 N82 W83 L87 W88 D89D81-K85 WeakPolarHBondContact O-CB 3.25Å; D81-K85 PolarHBondContact O-N 2.88Å; N82-K85 PolarHBondContact O-N 3.01Å; W83-K85 VanDerWaalsContact C-N 3.32Å; K85-L87 VanDerWaalsContact C-N 3.3Å; K85-L87 PolarHBondContact O-N 3.48Å; K85-W88 PolarHBondContact O-N 2.9Å; K85-D89 WeakPolarHBondContact O-CB 3.34Å; K85-D89 VanDerWaalsContact O-CG 3.23Å; K85-D89 PolarHBondContact O-N 3.07Å
86E97.7Very high96.1Very high59 Ų5960.9 Ų60.928%0.27631%0.309SS..Hα-helixtrans-60.3-40.2178.2-171.4-176.6150.600112.1N82 W83 D89 S90 F110 M144 R148N82-E86 PolarHBondContact O-N 3Å; W83-E86 PolarHBondContact O-N 2.96Å; E86-D89 PolarHBondContact O-N 3.26Å; E86-S90 WeakPolarHBondContact O-CB 3.45Å; E86-S90 PolarHBondContact O-N 2.79Å; E86-S90 PolarHBondContact O-OG 3.3Å; E86-F110 HydrophobicContact CB-CE1 4.08Å; E86-F110 HydrophobicContact CB-CZ 4.09Å; E86-F110 HydrophobicContact CG-CE1 4.16Å; E86-F110 HydrophobicContact CG-CZ 4.39Å; E86-F110 WeakPolarHBondContact OE2-CE1 3.4Å; E86-M144 HydrophobicContact CG-CE 3.93Å; E86-M144 WeakPolarHBondContact OE1-CE 3.36Å; E86-R148 VanDerWaalsContact CD-NH2 3.3Å; E86-R148 IonicContact OE1-CZ 3.37Å; E86-R148 VanDerWaalsContact OE1-CZ 3.25Å; E86-R148 IonicContact OE1-NE 3.04Å; E86-R148 PolarHBondContact OE1-NE 3.36Å; E86-R148 IonicContact OE1-NH2 2.79Å; E86-R148 PolarHBondContact OE1-NH2 3.2Å; E86-R148 IonicContact OE2-NH2 2.73Å; E86-R148 PolarHBondContact OE2-NH2 3.24Å; E86-R148 VanDerWaalsContact OE2-NH2 3.09Å
87L97.5Very high95.8Very high0 Ų069 Ų690%034%0.339CS..Hα-helixtrans-62.7-46.7175.6-175.369000111.4W83 K84 K85 S90 C91 I95 V106 F110 V140 M144 L198W83-L87 VanDerWaalsContact O-CB 3.27Å; W83-L87 WeakPolarHBondContact O-CB 3.43Å; W83-L87 PolarHBondContact O-N 3.13Å; K84-L87 PolarHBondContact O-N 3.46Å; K85-L87 VanDerWaalsContact C-N 3.3Å; K85-L87 PolarHBondContact O-N 3.48Å; L87-S90 PolarHBondContact O-N 3.41Å; L87-C91 VanDerWaalsContact CD1-SG 3.56Å; L87-C91 PolarHBondContact O-N 3.48Å; L87-C91 PolarHBondContact O-SG 3.34Å; L87-I95 HydrophobicContact CD2-CD1 4.41Å; L87-I95 HydrophobicContact CD2-CG1 4.03Å; L87-V106 HydrophobicContact CD2-CG2 3.96Å; L87-F110 HydrophobicContact CB-CE2 4.18Å; L87-F110 HydrophobicContact CB-CZ 4.21Å; L87-V140 HydrophobicContact CD1-CG1 4.25Å; L87-M144 HydrophobicContact CD1-SD 3.87Å; L87-L198 HydrophobicContact CD2-CD2 4.22Å
88W97.4Very high95.8Very high130 Ų13073.5 Ų73.549%0.49235%0.352SS..Hα-helixtrans-60.4-44.9175.6175.5-96.5000112.2K84 K85 S90 H92K84-W88 WeakPolarHBondContact O-CB 3.29Å; K84-W88 PolarHBondContact O-N 2.89Å; K85-W88 PolarHBondContact O-N 2.9Å; W88-S90 VanDerWaalsContact C-N 3.26Å; W88-S90 PolarHBondContact O-N 3.47Å; W88-H92 VanDerWaalsContact CE3-C 3.49Å; W88-H92 HydrophobicContact CZ3-CB 4.45Å; W88-H92 WeakPolarHBondContact CZ3-O 3.25Å; W88-H92 WeakPolarHBondContact O-CA 3.47Å; W88-H92 PolarHBondContact O-N 3.45Å; W88-H92 PolarHBondContact O-ND1 3.43Å
89D97.4Very high95.8Very high98 Ų9866.4 Ų66.452%0.52433%0.327SS..Hα-helixtrans-66.4-31.2179.5-67.4-18.1000111.5K85 E86K85-D89 WeakPolarHBondContact O-CB 3.34Å; K85-D89 VanDerWaalsContact O-CG 3.23Å; K85-D89 PolarHBondContact O-N 3.07Å; E86-D89 PolarHBondContact O-N 3.26Å
90S94.8Very high95.7Very high52 Ų5270.7 Ų70.736%0.36435%0.349SS..Hα-helixtrans-85.8-37.3-177.2-60.20000114.3E86 L87 W88E86-S90 WeakPolarHBondContact O-CB 3.45Å; E86-S90 PolarHBondContact O-N 2.79Å; E86-S90 PolarHBondContact O-OG 3.3Å; L87-S90 PolarHBondContact O-N 3.41Å; W88-S90 VanDerWaalsContact C-N 3.26Å; W88-S90 PolarHBondContact O-N 3.47Å
91C93.8Very high95.7Very high37 Ų3773.5 Ų73.525%0.2536%0.361CS..Hα-helixtrans-1436.6-173.169.10000115.3L87 V93 V143L87-C91 VanDerWaalsContact CD1-SG 3.56Å; L87-C91 PolarHBondContact O-N 3.48Å; L87-C91 PolarHBondContact O-SG 3.34Å; C91-V93 PolarHBondContact O-N 3.22Å; C91-V143 HydrophobicContact CB-CG1 4.36Å
92H94.7Very high95.7Very high133 Ų13369.2 Ų69.262%0.61634%0.339SS*.  trans5830.2176-52.1-48.8000114.9W88W88-H92 VanDerWaalsContact CE3-C 3.49Å; W88-H92 HydrophobicContact CZ3-CB 4.45Å; W88-H92 WeakPolarHBondContact CZ3-O 3.25Å; W88-H92 WeakPolarHBondContact O-CA 3.47Å; W88-H92 PolarHBondContact O-N 3.45Å; W88-H92 PolarHBondContact O-ND1 3.43Å
93V94.6Very high95.7Very high12 Ų1264.5 Ų64.57%0.07331%0.313CS..  trans-98.8109.6173.3-175.40000109.7C91 I95 C197 L198C91-V93 PolarHBondContact O-N 3.22Å; V93-I95 HydrophobicContact CG1-CD1 4.05Å; V93-C197 HydrophobicContact CG1-CB 3.95Å; V93-C197 HydrophobicContact CG2-CB 3.99Å; V93-L198 HydrophobicContact CB-CD2 4.31Å; V93-L198 HydrophobicContact CG1-CD2 3.79Å; V93-L198 HydrophobicContact CG1-CG 3.99Å
94G95Very high95.7Very high38 Ų3867 Ų6739%0.39233%0.328SS..  trans-85.4134.6176.900000111.7H194G94-H194 WeakPolarHBondContact O-CB 3.33Å
95I96.4Very high95.7Very high19 Ų1965.9 Ų65.910%0.09732%0.324CS..  trans-111113.6-179.7-53.9-58.5000110.2K84 L87 V93 V106 H194 L198K84-I95 HydrophobicContact CD-CB 4.33Å; K84-I95 HydrophobicContact CG-CB 4.47Å; K84-I95 PolarHBondContact NZ-O 3.06Å; K84-I95 VanDerWaalsContact NZ-O 3.07Å; L87-I95 HydrophobicContact CD2-CD1 4.41Å; L87-I95 HydrophobicContact CD2-CG1 4.03Å; V93-I95 HydrophobicContact CG1-CD1 4.05Å; I95-V106 HydrophobicContact CG1-CG2 3.96Å; I95-H194 HydrophobicContact CD1-CB 4.25Å; I95-L198 HydrophobicContact CD1-CD1 3.81Å; I95-L198 HydrophobicContact CD1-CD2 4.42Å; I95-L198 HydrophobicContact CD1-CG 4.19Å
96P94.3Very high95.8Very high41 Ų4159.4 Ų59.427%0.26630%0.296SS..  trans-54.2145177.3-24.333.6000112.2K84 Q98 D99K84-P96 PolarHBondContact NZ-O 2.86Å; P96-Q98 VanDerWaalsContact C-N 3.34Å; P96-Q98 PolarHBondContact O-N 2.99Å; P96-D99 PolarHBondContact O-N 3.21Å
97W89.4Confident95.8Very high170 Ų17056.9 Ų56.964%0.64428%0.284SS*.THydrogen-bonded Turntrans-62.8-42.7-177.8-171.6-95.8000112.3D81 D99 N103D81-W97 WeakPolarHBondContact OD1-CH2 3.45Å; D81-W97 WeakPolarHBondContact OD1-CZ3 3.4Å; W97-D99 VanDerWaalsContact C-N 3.26Å; W97-D99 PolarHBondContact O-N 2.73Å; W97-N103 PolarHBondContact O-ND2 2.72Å
98Q93Very high95.8Very high144 Ų14458 Ų5867%0.67329%0.289SS*.THydrogen-bonded Turntrans-71.8-12.2-174.967.6-84.718.800114.7P96 H100P96-Q98 VanDerWaalsContact C-N 3.34Å; P96-Q98 PolarHBondContact O-N 2.99Å; Q98-H100 PolarHBondContact O-N 3.4Å
99D95.3Very high95.9Very high18 Ų1851.9 Ų51.910%0.09627%0.266CS..  trans-89.387.9-179.3-173.4-0.3000111.5P96 W97 E101 S102 N103 H194 R195P96-D99 PolarHBondContact O-N 3.21Å; W97-D99 VanDerWaalsContact C-N 3.26Å; W97-D99 PolarHBondContact O-N 2.73Å; D99-E101 VanDerWaalsContact C-N 3.3Å; D99-E101 PolarHBondContact O-N 3.22Å; D99-E101 PolarHBondContact OD1-N 2.9Å; D99-S102 PolarHBondContact O-N 3.22Å; D99-S102 PolarHBondContact OD1-N 3.16Å; D99-S102 WeakPolarHBondContact OD2-CB 3.42Å; D99-S102 PolarHBondContact OD2-OG 3.46Å; D99-N103 PolarHBondContact O-N 2.91Å; D99-N103 PolarHBondContact O-ND2 3.02Å; D99-N103 PolarHBondContact O-OD1 3.4Å; D99-H194 IonicContact OD2-CD2 3.88Å; D99-H194 IonicContact OD2-CE1 2.94Å; D99-H194 IonicContact OD2-NE2 2.87Å; D99-H194 PolarHBondContact OD2-NE2 3.15Å; D99-R195 VanDerWaalsContact CG-NH2 3.27Å; D99-R195 IonicContact OD1-CZ 3.5Å; D99-R195 IonicContact OD1-NE 3.84Å; D99-R195 IonicContact OD1-NH2 2.61Å; D99-R195 PolarHBondContact OD1-NH2 3.43Å; D99-R195 IonicContact OD2-CZ 2.83Å; D99-R195 IonicContact OD2-NE 3.84Å; D99-R195 PolarHBondContact OD2-NE 2.98Å; D99-R195 IonicContact OD2-NH2 3.23Å; D99-R195 PolarHBondContact OD2-NH2 2.84Å; D99-R195 VanDerWaalsContact OD2-NH2 3.13Å
100H95.2Very high95.9Very high138 Ų13847.2 Ų47.264%0.63924%0.241SC*.Hα-helixtrans-56.5-39.6178.9-65.4-75.1000113.4Q98 S102 N103 D104Q98-H100 PolarHBondContact O-N 3.4Å; H100-S102 PolarHBondContact O-N 2.88Å; H100-N103 WeakPolarHBondContact O-CB 3.48Å; H100-N103 PolarHBondContact O-N 2.91Å; H100-D104 WeakPolarHBondContact O-CB 3.35Å; H100-D104 VanDerWaalsContact O-CG 3.28Å; H100-D104 PolarHBondContact O-N 2.77Å
101E96.1Very high96.1Very high73 Ų7344.8 Ų44.834%0.34122%0.224SC..Hα-helixtrans-66.1-41.8-178.3-171.6-179.1-171.800111.4D99 D104 A105 W136 M137 R195D99-E101 VanDerWaalsContact C-N 3.3Å; D99-E101 PolarHBondContact O-N 3.22Å; D99-E101 PolarHBondContact OD1-N 2.9Å; E101-D104 PolarHBondContact O-N 3.37Å; E101-A105 WeakPolarHBondContact O-CB 3.46Å; E101-A105 PolarHBondContact O-N 3.31Å; E101-W136 HydrophobicContact CG-CH2 4.01Å; E101-W136 HydrophobicContact CG-CZ2 4.09Å; E101-M137 HydrophobicContact CG-CE 4.02Å; E101-R195 IonicContact OE2-CZ 2.61Å; E101-R195 IonicContact OE2-NH1 3.44Å; E101-R195 PolarHBondContact OE2-NH1 3.34Å; E101-R195 IonicContact OE2-NH2 4Å; E101-R195 PolarHBondContact OE2-NH2 3.5Å
102S97.3Very high96.3Very high0 Ų043.4 Ų43.40%021%0.214CC..Hα-helixtrans-68.8-36.5173.9-65.20000112.1D99 H100 A105 V106 H194 R195D99-S102 PolarHBondContact O-N 3.22Å; D99-S102 PolarHBondContact OD1-N 3.16Å; D99-S102 WeakPolarHBondContact OD2-CB 3.42Å; D99-S102 PolarHBondContact OD2-OG 3.46Å; H100-S102 PolarHBondContact O-N 2.88Å; S102-A105 PolarHBondContact O-N 3.26Å; S102-V106 WeakPolarHBondContact O-CG2 3.5Å; S102-V106 PolarHBondContact O-N 2.83Å; S102-H194 PolarHBondContact OG-CD2 2.8Å; S102-H194 VanDerWaalsContact OG-CD2 3.3Å; S102-H194 PolarHBondContact OG-NE2 2.97Å; S102-R195 WeakPolarHBondContact OG-CG 3.41Å
103N97.6Very high96.5Very high10 Ų1037 Ų375%0.05319%0.185CC..Hα-helixtrans-61.1-46.3175.2-66.1-24.9000111.1L80 K84 W97 D99 H100 A105 V106 I107L80-N103 HydrophobicContact CD1-CB 4.4Å; L80-N103 HydrophobicContact CD2-CB 3.84Å; K84-N103 WeakPolarHBondContact CE-OD1 3Å; K84-N103 PolarHBondContact NZ-OD1 3.44Å; W97-N103 PolarHBondContact O-ND2 2.72Å; D99-N103 PolarHBondContact O-N 2.91Å; D99-N103 PolarHBondContact O-ND2 3.02Å; D99-N103 PolarHBondContact O-OD1 3.4Å; H100-N103 WeakPolarHBondContact O-CB 3.48Å; H100-N103 PolarHBondContact O-N 2.91Å; N103-A105 VanDerWaalsContact C-N 3.35Å; N103-A105 PolarHBondContact O-N 3.27Å; N103-V106 WeakPolarHBondContact O-CB 3.23Å; N103-V106 PolarHBondContact O-N 2.98Å; N103-I107 WeakPolarHBondContact O-CG1 3.26Å; N103-I107 PolarHBondContact O-N 3.07Å
104D97.5Very high96.6Very high73 Ų7338 Ų3839%0.3919%0.187SC..Hα-helixtrans-63.5-41178.1-70.5-10.5000111.5I73 H100 E101 V106 I107 F108I73-D104 HydrophobicContact CD1-CB 3.72Å; H100-D104 WeakPolarHBondContact O-CB 3.35Å; H100-D104 VanDerWaalsContact O-CG 3.28Å; H100-D104 PolarHBondContact O-N 2.77Å; E101-D104 PolarHBondContact O-N 3.37Å; D104-V106 VanDerWaalsContact C-N 3.32Å; D104-V106 PolarHBondContact O-N 3.27Å; D104-I107 PolarHBondContact O-N 2.95Å; D104-F108 VanDerWaalsContact O-CB 3.31Å; D104-F108 WeakPolarHBondContact O-CB 3.41Å; D104-F108 PolarHBondContact O-N 3.46Å
105A97.6Very high96.8Very high3 Ų336.6 Ų36.63%0.02517%0.17CC..Hα-helixtrans-61.1-38.3174.300000112.5E101 S102 N103 G109 W136 M137E101-A105 WeakPolarHBondContact O-CB 3.46Å; E101-A105 PolarHBondContact O-N 3.31Å; S102-A105 PolarHBondContact O-N 3.26Å; N103-A105 VanDerWaalsContact C-N 3.35Å; N103-A105 PolarHBondContact O-N 3.27Å; A105-G109 PolarHBondContact O-N 3.49Å; A105-W136 HydrophobicContact CB-CZ3 4.06Å; A105-M137 HydrophobicContact CB-CB 4.41Å; A105-M137 WeakPolarHBondContact CB-O 3.1Å
106V98.2Very high96.9Very high0 Ų036.2 Ų36.20%017%0.168CC..Hα-helixtrans-64.7-52.3174.1171.60000110.7L80 W83 L87 I95 S102 N103 D104 F108 G109 F110 V140L80-V106 HydrophobicContact CD1-CB 4.14Å; L80-V106 HydrophobicContact CD1-CG1 3.92Å; W83-V106 HydrophobicContact CB-CG1 4.09Å; L87-V106 HydrophobicContact CD2-CG2 3.96Å; I95-V106 HydrophobicContact CG1-CG2 3.96Å; S102-V106 WeakPolarHBondContact O-CG2 3.5Å; S102-V106 PolarHBondContact O-N 2.83Å; N103-V106 WeakPolarHBondContact O-CB 3.23Å; N103-V106 PolarHBondContact O-N 2.98Å; D104-V106 VanDerWaalsContact C-N 3.32Å; D104-V106 PolarHBondContact O-N 3.27Å; V106-F108 VanDerWaalsContact C-N 3.32Å; V106-F108 PolarHBondContact O-N 3Å; V106-G109 PolarHBondContact O-N 3.08Å; V106-F110 HydrophobicContact CG1-CD2 3.79Å; V106-F110 HydrophobicContact CG1-CE2 3.89Å; V106-F110 VanDerWaalsContact O-CD2 3.3Å; V106-F110 WeakPolarHBondContact O-CD2 3.34Å; V106-F110 PolarHBondContact O-N 2.82Å; V106-V140 HydrophobicContact CG2-CG2 4.46Å
107I98.1Very high97Very high5 Ų536.9 Ų36.93%0.02617%0.168CC..Hα-helixtrans-56.7-50-179.6-64.1166.2000110.2I73 A77 L80 W83 N103 D104 F110 L111I73-I107 HydrophobicContact CB-CB 4.4Å; I73-I107 HydrophobicContact CB-CG2 3.71Å; I73-I107 HydrophobicContact CG2-CG2 4.07Å; I73-I107 WeakPolarHBondContact O-CG2 3.37Å; A77-I107 HydrophobicContact CB-CD1 4.23Å; L80-I107 HydrophobicContact CB-CD1 4.47Å; L80-I107 HydrophobicContact CB-CG1 4.36Å; L80-I107 HydrophobicContact CD1-CD1 4.43Å; L80-I107 HydrophobicContact CD1-CG1 3.96Å; W83-I107 HydrophobicContact CZ3-CB 4.24Å; W83-I107 HydrophobicContact CZ3-CG2 3.91Å; N103-I107 WeakPolarHBondContact O-CG1 3.26Å; N103-I107 PolarHBondContact O-N 3.07Å; D104-I107 PolarHBondContact O-N 2.95Å; I107-F110 PolarHBondContact O-N 2.82Å; I107-L111 HydrophobicContact CG2-CD1 4.03Å; I107-L111 WeakPolarHBondContact O-CB 3.05Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.49Å; I107-L111 PolarHBondContact O-N 2.9Å
108F98.5Very high97.3Very high25 Ų2530.4 Ų30.411%0.1115%0.145CC..Hα-helixtrans-60.5-47.6178.5179.9-114.1000111.9I19 F71 I73 D104 V106 F110 L111 V112 A138I19-F108 HydrophobicContact CG2-CE2 4.31Å; I19-F108 HydrophobicContact CG2-CZ 4.28Å; F71-F108 HydrophobicContact CD2-CE2 4.21Å; I73-F108 HydrophobicContact CG2-CB 4.01Å; I73-F108 HydrophobicContact CG2-CD2 4.4Å; D104-F108 VanDerWaalsContact O-CB 3.31Å; D104-F108 WeakPolarHBondContact O-CB 3.41Å; D104-F108 PolarHBondContact O-N 3.46Å; V106-F108 VanDerWaalsContact C-N 3.32Å; V106-F108 PolarHBondContact O-N 3Å; F108-F110 PolarHBondContact O-N 2.91Å; F108-L111 PolarHBondContact O-N 3.1Å; F108-V112 HydrophobicContact CD1-CG2 4.37Å; F108-V112 HydrophobicContact CD2-CG2 4.19Å; F108-V112 HydrophobicContact CE1-CG2 3.95Å; F108-V112 HydrophobicContact CE2-CG2 3.74Å; F108-V112 HydrophobicContact CG-CG2 4.48Å; F108-V112 HydrophobicContact CZ-CG2 3.61Å; F108-V112 VanDerWaalsContact O-CG2 3.32Å; F108-V112 WeakPolarHBondContact O-CG2 3.49Å; F108-V112 PolarHBondContact O-N 3.07Å; F108-A138 HydrophobicContact CE1-CB 4.3Å
109G98.2Very high97.5Very high0 Ų025.4 Ų25.40%012%0.121CC..Hα-helixtrans-59-44179.600000113.4A105 V106 V112 A113 G141A105-G109 PolarHBondContact O-N 3.49Å; V106-G109 PolarHBondContact O-N 3.08Å; G109-V112 PolarHBondContact O-N 3.09Å; G109-A113 WeakPolarHBondContact O-CB 3.27Å; G109-A113 PolarHBondContact O-N 3.4Å; G109-G141 VanDerWaalsContact CA-N 3.33Å; G109-G141 WeakPolarHBondContact O-CA 3.43Å
110F98.5Very high97.5Very high1 Ų126.9 Ų26.90%0.00413%0.125CC..Hα-helixtrans-67.2-38.7176.9-87.6-97.7000112.7W83 E86 L87 V106 I107 F108 V112 A113 W114 V140 M144W83-F110 HydrophobicContact CB-CD1 3.86Å; W83-F110 HydrophobicContact CB-CD2 3.78Å; W83-F110 HydrophobicContact CB-CE1 3.88Å; W83-F110 HydrophobicContact CB-CE2 3.8Å; W83-F110 HydrophobicContact CB-CG 3.79Å; W83-F110 HydrophobicContact CB-CZ 3.85Å; W83-F110 AromaticContact CD1-CD1 3.3Å; W83-F110 AromaticContact CD1-CE1 3.62Å; W83-F110 AromaticContact CD1-CG 3.9Å; W83-F110 HydrophobicContact CD2-CB 3.47Å; W83-F110 VanDerWaalsContact CD2-CB 3.47Å; W83-F110 AromaticContact CD2-CD1 3.84Å; W83-F110 HydrophobicContact CD2-CD1 3.84Å; W83-F110 HydrophobicContact CD2-CD2 4.36Å; W83-F110 AromaticContact CD2-CG 3.64Å; W83-F110 HydrophobicContact CD2-CG 3.64Å; W83-F110 AromaticContact CE2-CD1 3.99Å; W83-F110 HydrophobicContact CE3-CB 3.55Å; W83-F110 HydrophobicContact CE3-CG 4.06Å; W83-F110 HydrophobicContact CG-CB 3.95Å; W83-F110 AromaticContact CG-CD1 3.41Å; W83-F110 HydrophobicContact CG-CD1 3.41Å; W83-F110 VanDerWaalsContact CG-CD1 3.41Å; W83-F110 HydrophobicContact CG-CD2 4.05Å; W83-F110 AromaticContact CG-CE1 3.82Å; W83-F110 HydrophobicContact CG-CE1 3.82Å; W83-F110 HydrophobicContact CG-CE2 4.4Å; W83-F110 AromaticContact CG-CG 3.52Å; W83-F110 HydrophobicContact CG-CG 3.52Å; W83-F110 HydrophobicContact CG-CZ 4.3Å; W83-F110 HydrophobicContact CH2-CB 4.08Å; W83-F110 HydrophobicContact CZ2-CB 4.03Å; W83-F110 HydrophobicContact CZ3-CB 3.84Å; W83-F110 AromaticContact NE1-CD1 3.66Å; W83-F110 WeakPolarHBondContact O-CE2 3.36Å; W83-F110 WeakPolarHBondContact O-CZ 3.45Å; E86-F110 HydrophobicContact CB-CE1 4.08Å; E86-F110 HydrophobicContact CB-CZ 4.09Å; E86-F110 HydrophobicContact CG-CE1 4.16Å; E86-F110 HydrophobicContact CG-CZ 4.39Å; E86-F110 WeakPolarHBondContact OE2-CE1 3.4Å; L87-F110 HydrophobicContact CB-CE2 4.18Å; L87-F110 HydrophobicContact CB-CZ 4.21Å; V106-F110 HydrophobicContact CG1-CD2 3.79Å; V106-F110 HydrophobicContact CG1-CE2 3.89Å; V106-F110 VanDerWaalsContact O-CD2 3.3Å; V106-F110 WeakPolarHBondContact O-CD2 3.34Å; V106-F110 PolarHBondContact O-N 2.82Å; I107-F110 PolarHBondContact O-N 2.82Å; F108-F110 PolarHBondContact O-N 2.91Å; F110-V112 VanDerWaalsContact C-N 3.34Å; F110-A113 PolarHBondContact O-N 3.35Å; F110-W114 VanDerWaalsContact O-CB 3.26Å; F110-W114 WeakPolarHBondContact O-CB 3.4Å; F110-W114 PolarHBondContact O-N 3.13Å; F110-V140 HydrophobicContact CD2-CG1 4.13Å; F110-V140 HydrophobicContact CE2-CG1 4.15Å; F110-M144 HydrophobicContact CD2-CG 4.21Å; F110-M144 HydrophobicContact CE1-CE 3.79Å; F110-M144 HydrophobicContact CE1-CG 4.14Å; F110-M144 HydrophobicContact CE1-SD 4.29Å; F110-M144 HydrophobicContact CE2-CG 3.82Å; F110-M144 HydrophobicContact CE2-SD 4.1Å; F110-M144 HydrophobicContact CZ-CE 3.72Å; F110-M144 HydrophobicContact CZ-CG 3.79Å; F110-M144 HydrophobicContact CZ-SD 3.69Å
111L98.5Very high97.4Very high0 Ų026 Ų260%012%0.121CC..Hα-helixtrans-61.7-42.2173.1-74.4174.4000112M48 V53 F71 I73 W83 I107 F108 W114 F115M48-L111 HydrophobicContact CE-CD2 4.16Å; V53-L111 HydrophobicContact CG1-CD2 3.67Å; V53-L111 HydrophobicContact CG2-CD2 3.98Å; F71-L111 HydrophobicContact CB-CD1 3.96Å; F71-L111 HydrophobicContact CD1-CB 4.09Å; F71-L111 HydrophobicContact CD1-CD1 4.16Å; F71-L111 HydrophobicContact CD1-CD2 4.45Å; F71-L111 HydrophobicContact CD1-CG 4.48Å; F71-L111 HydrophobicContact CE1-CB 4.4Å; F71-L111 HydrophobicContact CG-CB 4.17Å; F71-L111 HydrophobicContact CG-CD1 4.22Å; I73-L111 HydrophobicContact CG2-CD1 4.35Å; W83-L111 HydrophobicContact CH2-CD2 3.88Å; W83-L111 HydrophobicContact CH2-CG 3.94Å; W83-L111 HydrophobicContact CZ3-CG 4.3Å; I107-L111 HydrophobicContact CG2-CD1 4.03Å; I107-L111 WeakPolarHBondContact O-CB 3.05Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.49Å; I107-L111 PolarHBondContact O-N 2.9Å; F108-L111 PolarHBondContact O-N 3.1Å; L111-W114 HydrophobicContact CD2-CE3 4.17Å; L111-W114 HydrophobicContact CD2-CZ3 4.5Å; L111-W114 PolarHBondContact O-N 2.84Å; L111-F115 VanDerWaalsContact O-CB 3.3Å; L111-F115 WeakPolarHBondContact O-CB 3.29Å; L111-F115 PolarHBondContact O-N 3.19Å
112V98.4Very high97.3Very high8 Ų825.6 Ų25.65%0.04812%0.116CC..Hα-helixtrans-64.7-46.6175.9173.90000111.1I19 F108 G109 F110 W114 F115 L116 F133I19-V112 HydrophobicContact CG2-CG2 3.89Å; F108-V112 HydrophobicContact CD1-CG2 4.37Å; F108-V112 HydrophobicContact CD2-CG2 4.19Å; F108-V112 HydrophobicContact CE1-CG2 3.95Å; F108-V112 HydrophobicContact CE2-CG2 3.74Å; F108-V112 HydrophobicContact CG-CG2 4.48Å; F108-V112 HydrophobicContact CZ-CG2 3.61Å; F108-V112 VanDerWaalsContact O-CG2 3.32Å; F108-V112 WeakPolarHBondContact O-CG2 3.49Å; F108-V112 PolarHBondContact O-N 3.07Å; G109-V112 PolarHBondContact O-N 3.09Å; F110-V112 VanDerWaalsContact C-N 3.34Å; V112-W114 VanDerWaalsContact C-N 3.32Å; V112-W114 PolarHBondContact O-N 2.92Å; V112-F115 PolarHBondContact O-N 3.14Å; V112-L116 HydrophobicContact CG1-CD1 3.84Å; V112-L116 HydrophobicContact CG1-CG 4.27Å; V112-L116 VanDerWaalsContact O-CB 3.32Å; V112-L116 WeakPolarHBondContact O-CB 3.49Å; V112-L116 VanDerWaalsContact O-CG 3.25Å; V112-L116 WeakPolarHBondContact O-CG 3.42Å; V112-L116 PolarHBondContact O-N 3.11Å; V112-F133 HydrophobicContact CG1-CE1 3.82Å; V112-F133 HydrophobicContact CG1-CZ 4.2Å
113A98.3Very high97Very high0 Ų026.5 Ų26.50%012%0.123CC..Hα-helixtrans-62.3-40.6178.400000111.9G109 F110 Q117 M144 V145G109-A113 WeakPolarHBondContact O-CB 3.27Å; G109-A113 PolarHBondContact O-N 3.4Å; F110-A113 PolarHBondContact O-N 3.35Å; A113-Q117 WeakPolarHBondContact O-CB 3.4Å; A113-Q117 PolarHBondContact O-N 3.32Å; A113-M144 HydrophobicContact CB-CB 3.82Å; A113-V145 HydrophobicContact CB-CG2 4.14Å
114W97.9Very high96.2Very high33 Ų3333.7 Ų33.713%0.12516%0.161CC..Hα-helixtrans-63.1-51174.8-178.611.3000111.6M48 Q51 V53 W83 F110 L111 V112 L116 Q117 E118M48-W114 HydrophobicContact CE-CB 4.35Å; M48-W114 HydrophobicContact CE-CD2 3.91Å; M48-W114 HydrophobicContact CE-CE3 3.98Å; M48-W114 HydrophobicContact CE-CG 4.1Å; Q51-W114 HydrophobicContact CB-CH2 3.6Å; Q51-W114 HydrophobicContact CB-CZ2 3.96Å; Q51-W114 HydrophobicContact CG-CH2 4.13Å; Q51-W114 HydrophobicContact CG-CZ2 4.01Å; V53-W114 HydrophobicContact CG2-CE3 4.32Å; V53-W114 HydrophobicContact CG2-CH2 3.86Å; V53-W114 HydrophobicContact CG2-CZ3 3.48Å; V53-W114 VanDerWaalsContact CG2-CZ3 3.48Å; W83-W114 HydrophobicContact CZ2-CE3 4.47Å; F110-W114 VanDerWaalsContact O-CB 3.26Å; F110-W114 WeakPolarHBondContact O-CB 3.4Å; F110-W114 PolarHBondContact O-N 3.13Å; L111-W114 HydrophobicContact CD2-CE3 4.17Å; L111-W114 HydrophobicContact CD2-CZ3 4.5Å; L111-W114 PolarHBondContact O-N 2.84Å; V112-W114 VanDerWaalsContact C-N 3.32Å; V112-W114 PolarHBondContact O-N 2.92Å; W114-L116 VanDerWaalsContact C-N 3.32Å; W114-L116 PolarHBondContact O-N 2.86Å; W114-Q117 PolarHBondContact O-N 2.69Å; W114-E118 HydrophobicContact CG-CG 4.49Å; W114-E118 VanDerWaalsContact NE1-CG 3.31Å; W114-E118 PolarHBondContact NE1-OE1 2.72Å; W114-E118 VanDerWaalsContact O-CG 3.32Å; W114-E118 WeakPolarHBondContact O-CG 2.94Å; W114-E118 PolarHBondContact O-N 2.95Å
115F98.4Very high95.3Very high7 Ų740.5 Ų40.53%0.03118%0.181CC..Hα-helixtrans-54.8-48176.4167.6-97.6000112.3I19 M41 T44 L45 M48 V69 F71 L111 V112 Q117 E118 F119I19-F115 HydrophobicContact CD1-CD1 3.81Å; I19-F115 HydrophobicContact CD1-CE1 3.64Å; M41-F115 HydrophobicContact CE-CZ 3.91Å; M41-F115 HydrophobicContact SD-CE2 3.58Å; M41-F115 VanDerWaalsContact SD-CE2 3.58Å; M41-F115 HydrophobicContact SD-CZ 3.5Å; M41-F115 WeakPolarHBondContact SD-CZ 3.37Å; T44-F115 HydrophobicContact CG2-CD2 3.63Å; T44-F115 HydrophobicContact CG2-CE2 3.85Å; L45-F115 HydrophobicContact CD2-CD2 4.06Å; L45-F115 HydrophobicContact CD2-CE2 3.8Å; M48-F115 HydrophobicContact CE-CB 4.13Å; M48-F115 HydrophobicContact SD-CB 3.78Å; M48-F115 HydrophobicContact SD-CD2 4.03Å; M48-F115 HydrophobicContact SD-CG 4.43Å; V69-F115 HydrophobicContact CG1-CE2 4.32Å; V69-F115 HydrophobicContact CG2-CE2 4.37Å; V69-F115 HydrophobicContact CG2-CZ 4.19Å; F71-F115 HydrophobicContact CE2-CB 4.42Å; F71-F115 HydrophobicContact CZ-CB 3.7Å; F71-F115 HydrophobicContact CZ-CD2 4.15Å; F71-F115 AromaticContact CZ-CG 3.96Å; F71-F115 HydrophobicContact CZ-CG 3.96Å; L111-F115 VanDerWaalsContact O-CB 3.3Å; L111-F115 WeakPolarHBondContact O-CB 3.29Å; L111-F115 PolarHBondContact O-N 3.19Å; V112-F115 PolarHBondContact O-N 3.14Å; F115-Q117 VanDerWaalsContact C-N 3.33Å; F115-Q117 PolarHBondContact O-N 3.08Å; F115-E118 PolarHBondContact O-N 3.38Å; F115-F119 WeakPolarHBondContact O-CB 3.42Å; F115-F119 PolarHBondContact O-N 3.38Å
116L98.1Very high94.6Very high12 Ų1242.3 Ų42.36%0.06319%0.194CC..Hα-helixtrans-62.9-39.4-179.5-77.5177.3000112.3V112 W114 R120 A131 F133 V145 I152V112-L116 HydrophobicContact CG1-CD1 3.84Å; V112-L116 HydrophobicContact CG1-CG 4.27Å; V112-L116 VanDerWaalsContact O-CB 3.32Å; V112-L116 WeakPolarHBondContact O-CB 3.49Å; V112-L116 VanDerWaalsContact O-CG 3.25Å; V112-L116 WeakPolarHBondContact O-CG 3.42Å; V112-L116 PolarHBondContact O-N 3.11Å; W114-L116 VanDerWaalsContact C-N 3.32Å; W114-L116 PolarHBondContact O-N 2.86Å; L116-R120 VanDerWaalsContact O-CB 3.32Å; L116-R120 WeakPolarHBondContact O-CB 3.3Å; L116-R120 PolarHBondContact O-N 3.2Å; L116-A131 HydrophobicContact CD1-CB 3.92Å; L116-F133 HydrophobicContact CD1-CZ 4.15Å; L116-V145 HydrophobicContact CD1-CG2 3.77Å; L116-I152 HydrophobicContact CB-CD1 3.6Å; L116-I152 HydrophobicContact CD1-CD1 4.3Å; L116-I152 HydrophobicContact CD2-CD1 4.29Å; L116-I152 HydrophobicContact CG-CD1 4.28Å
117Q97.2Very high94.2Very high54 Ų5444.4 Ų44.425%0.25221%0.208SC..Hα-helixtrans-63.5-54.9174.8-179.7175.3-11.100111.3A113 W114 F115 F119 R120 E121 L150A113-Q117 WeakPolarHBondContact O-CB 3.4Å; A113-Q117 PolarHBondContact O-N 3.32Å; W114-Q117 PolarHBondContact O-N 2.69Å; F115-Q117 VanDerWaalsContact C-N 3.33Å; F115-Q117 PolarHBondContact O-N 3.08Å; Q117-F119 VanDerWaalsContact C-N 3.28Å; Q117-F119 PolarHBondContact O-N 3.48Å; Q117-R120 PolarHBondContact O-N 3.16Å; Q117-R120 VanDerWaalsContact O-N 3.14Å; Q117-E121 VanDerWaalsContact CG-OE1 3.28Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.38Å; Q117-E121 PolarHBondContact NE2-OE1 3.42Å; Q117-E121 WeakPolarHBondContact O-CG 3.36Å; Q117-E121 PolarHBondContact O-N 3.45Å; Q117-L150 HydrophobicContact CB-CD1 3.81Å; Q117-L150 HydrophobicContact CB-CD2 4.04Å; Q117-L150 HydrophobicContact CG-CD2 3.87Å
118E96.4Very high94Very high34 Ų3446.2 Ų46.216%0.15922%0.217CC..Hα-helixtrans-61.6-38.1-177.6-65.7-87.5171.200111.6T44 S47 W114 F115 R122T44-E118 HydrophobicContact CG2-CB 3.8Å; S47-E118 PolarHBondContact OG-OE2 3.37Å; W114-E118 HydrophobicContact CG-CG 4.49Å; W114-E118 VanDerWaalsContact NE1-CG 3.31Å; W114-E118 PolarHBondContact NE1-OE1 2.72Å; W114-E118 VanDerWaalsContact O-CG 3.32Å; W114-E118 WeakPolarHBondContact O-CG 2.94Å; W114-E118 PolarHBondContact O-N 2.95Å; F115-E118 PolarHBondContact O-N 3.38Å; E118-R122 WeakPolarHBondContact O-CB 3.17Å; E118-R122 WeakPolarHBondContact O-CD 3.47Å; E118-R122 WeakPolarHBondContact O-CG 3.39Å; E118-R122 PolarHBondContact O-N 3.42Å; E118-R122 VanDerWaalsContact O-N 3.11Å; E118-R122 PolarHBondContact O-NH1 3.11Å; E118-R122 IonicContact OE2-CZ 3.21Å; E118-R122 IonicContact OE2-NH1 3.24Å; E118-R122 PolarHBondContact OE2-NH1 3.35Å; E118-R122 IonicContact OE2-NH2 2.82Å; E118-R122 PolarHBondContact OE2-NH2 2.98Å
119F96.4Very high93.8Very high39 Ų3946 Ų4617%0.17122%0.217CC..Hα-helixtrans-65.6-43.5175.5-179.5-102.4000112M41 T44 F115 Q117 E121 R122 C123 I129M41-F119 HydrophobicContact CB-CE2 4.2Å; M41-F119 HydrophobicContact CE-CD2 4.26Å; M41-F119 HydrophobicContact CE-CE2 3.9Å; M41-F119 HydrophobicContact CE-CZ 4.46Å; M41-F119 HydrophobicContact SD-CD2 4.24Å; M41-F119 HydrophobicContact SD-CE2 4.33Å; T44-F119 HydrophobicContact CG2-CB 4.17Å; T44-F119 VanDerWaalsContact OG1-CA 3.28Å; T44-F119 WeakPolarHBondContact OG1-CA 3.33Å; F115-F119 WeakPolarHBondContact O-CB 3.42Å; F115-F119 PolarHBondContact O-N 3.38Å; Q117-F119 VanDerWaalsContact C-N 3.28Å; Q117-F119 PolarHBondContact O-N 3.48Å; F119-E121 VanDerWaalsContact C-N 3.34Å; F119-E121 PolarHBondContact O-N 2.93Å; F119-R122 PolarHBondContact O-N 2.77Å; F119-C123 PolarHBondContact O-N 3.45Å; F119-C123 PolarHBondContact O-SG 3.46Å; F119-I129 HydrophobicContact CD1-CD1 3.86Å; F119-I129 HydrophobicContact CE1-CD1 3.98Å
120R94.5Very high93.8Very high49 Ų4948.2 Ų48.219%0.18523%0.23CC..Hα-helixtrans-64.1-39.8177.8176.561-170.381.84.9111.7L116 Q117 R122 C123 S126 I129 D151L116-R120 VanDerWaalsContact O-CB 3.32Å; L116-R120 WeakPolarHBondContact O-CB 3.3Å; L116-R120 PolarHBondContact O-N 3.2Å; Q117-R120 PolarHBondContact O-N 3.16Å; Q117-R120 VanDerWaalsContact O-N 3.14Å; R120-R122 VanDerWaalsContact C-N 3.34Å; R120-C123 PolarHBondContact O-N 3.01Å; R120-S126 PolarHBondContact NH2-OG 3.49Å; R120-I129 HydrophobicContact CB-CD1 4.08Å; R120-I129 HydrophobicContact CG-CD1 4.46Å; R120-D151 IonicContact CZ-OD2 3.09Å; R120-D151 IonicContact NE-OD2 4Å; R120-D151 PolarHBondContact NE-OD2 3.44Å; R120-D151 IonicContact NH2-OD2 3.91Å; R120-D151 PolarHBondContact NH2-OD2 2.81Å
121E94.3Very high93.8Very high119 Ų11948.7 Ų48.756%0.55624%0.235SC*.Hα-helixtrans-69.5-28.9178.8-71.3170.7-174.200112.8Q117 F119Q117-E121 VanDerWaalsContact CG-OE1 3.28Å; Q117-E121 WeakPolarHBondContact CG-OE1 3.38Å; Q117-E121 PolarHBondContact NE2-OE1 3.42Å; Q117-E121 WeakPolarHBondContact O-CG 3.36Å; Q117-E121 PolarHBondContact O-N 3.45Å; F119-E121 VanDerWaalsContact C-N 3.34Å; F119-E121 PolarHBondContact O-N 2.93Å
122R93.9Very high93.8Very high65 Ų6550.8 Ų50.825%0.24524%0.244CC..THydrogen-bonded Turntrans-88.5-3.7177.9-77.4162.8178.273.7-2.6115.1S40 S43 T44 S47 E118 F119 R120S40-R122 WeakPolarHBondContact CB-O 3.37Å; S43-R122 PolarHBondContact O-NE 3.35Å; S43-R122 VanDerWaalsContact O-NE 3.14Å; S43-R122 VanDerWaalsContact OG-CD 3.3Å; S43-R122 WeakPolarHBondContact OG-CD 3.5Å; T44-R122 VanDerWaalsContact OG1-CD 3.25Å; T44-R122 WeakPolarHBondContact OG1-CD 3.25Å; S47-R122 PolarHBondContact OG-NH2 2.99Å; E118-R122 WeakPolarHBondContact O-CB 3.17Å; E118-R122 WeakPolarHBondContact O-CD 3.47Å; E118-R122 WeakPolarHBondContact O-CG 3.39Å; E118-R122 PolarHBondContact O-N 3.42Å; E118-R122 VanDerWaalsContact O-N 3.11Å; E118-R122 PolarHBondContact O-NH1 3.11Å; E118-R122 IonicContact OE2-CZ 3.21Å; E118-R122 IonicContact OE2-NH1 3.24Å; E118-R122 PolarHBondContact OE2-NH1 3.35Å; E118-R122 IonicContact OE2-NH2 2.82Å; E118-R122 PolarHBondContact OE2-NH2 2.98Å; F119-R122 PolarHBondContact O-N 2.77Å; R120-R122 VanDerWaalsContact C-N 3.34Å
123C91.5Very high93.8Very high20 Ų2051 Ų5114%0.13525%0.245CC..  trans-80.5120173-71.40000109.5F119 R120 R125 P127F119-C123 PolarHBondContact O-N 3.45Å; F119-C123 PolarHBondContact O-SG 3.46Å; R120-C123 PolarHBondContact O-N 3.01Å; C123-R125 VanDerWaalsContact C-N 3.27Å; C123-R125 CarbonylContact C-O 3.58Å; C123-R125 WeakPolarHBondContact CB-O 3.49Å; C123-R125 PolarHBondContact O-N 3.49Å; C123-P127 HydrophobicContact CB-CG 3.9Å
124D80.1Confident93.8Very high160 Ų16052.2 Ų52.286%0.85625%0.25SS*.SBendtrans-63-35.6177.4-60.1-40.4000112.4
125R78.9Confident93.7Very high216 Ų21652.8 Ų52.882%0.81525%0.254SS*.SBendtrans-85.8163.3170.8-62.9-176.9178.8180-0.6108.4C123 P127C123-R125 VanDerWaalsContact C-N 3.27Å; C123-R125 CarbonylContact C-O 3.58Å; C123-R125 WeakPolarHBondContact CB-O 3.49Å; C123-R125 PolarHBondContact O-N 3.49Å; R125-P127 WeakPolarHBondContact O-CD 3.38Å
126S83.5Confident93.6Very high42 Ų4253.1 Ų53.129%0.29426%0.255SS..  trans-93.977.1168.1-177.70000108.5R120 R578R120-S126 PolarHBondContact NH2-OG 3.49Å; S126-R578 PolarHBondContact O-NH1 3.47Å; S126-R578 PolarHBondContact OG-NH1 3.23Å; S126-R578 PolarHBondContact OG-NH2 3.24Å
127P88.8Confident93.5Very high44 Ų4456.4 Ų56.429%0.28627%0.271SS..  trans-68.2153-176.832.2-38.8000110.4C123 R125 I129C123-P127 HydrophobicContact CB-CG 3.9Å; R125-P127 WeakPolarHBondContact O-CD 3.38Å; P127-I129 HydrophobicContact CB-CG1 4.45Å; P127-I129 HydrophobicContact CG-CD1 4.13Å; P127-I129 HydrophobicContact CG-CG1 3.98Å; P127-I129 PolarHBondContact O-N 3.4Å
128L93.1Very high93.5Very high43 Ų4354.7 Ų54.723%0.22527%0.266CS..  trans-79.1109.2167.1-59.4-166.5000109L571 H575 R578 L582L128-L571 HydrophobicContact CB-CD2 3.68Å; L128-L571 HydrophobicContact CD1-CD1 4.43Å; L128-L571 HydrophobicContact CD1-CD2 3.98Å; L128-L571 HydrophobicContact CG-CD2 4.37Å; L128-H575 HydrophobicContact CD1-CB 4.49Å; L128-H575 HydrophobicContact CD2-CB 3.8Å; L128-R578 HydrophobicContact CD1-CB 4.28Å; L128-R578 HydrophobicContact CD2-CB 4.22Å; L128-L582 HydrophobicContact CD1-CD1 3.26Å; L128-L582 HydrophobicContact CG-CD1 4.13Å
129I95.7Very high93.6Very high21 Ų2153 Ų5311%0.10826%0.258CS..  trans-101.8129179.5-59175.8000108.9F119 R120 P127 I152 S153F119-I129 HydrophobicContact CD1-CD1 3.86Å; F119-I129 HydrophobicContact CE1-CD1 3.98Å; R120-I129 HydrophobicContact CB-CD1 4.08Å; R120-I129 HydrophobicContact CG-CD1 4.46Å; P127-I129 HydrophobicContact CB-CG1 4.45Å; P127-I129 HydrophobicContact CG-CD1 4.13Å; P127-I129 HydrophobicContact CG-CG1 3.98Å; P127-I129 PolarHBondContact O-N 3.4Å; I129-I152 HydrophobicContact CB-CG1 4.3Å; I129-I152 HydrophobicContact CB-CG2 4.47Å; I129-I152 HydrophobicContact CG2-CG1 4.3Å; I129-I152 HydrophobicContact CG2-CG2 4.06Å; I129-S153 PolarHBondContact O-N 3.28Å
130V97.7Very high93.7Very high45 Ų4551.2 Ų51.227%0.27325%0.25SS..EExtended strand (participates in β ladder)trans-114.1119.4171.9-172.50000109.4S153 V155 R567 L571V130-S153 CarbonylContact C-O 3.36Å; V130-S153 WeakPolarHBondContact CA-O 3.45Å; V130-V155 HydrophobicContact CG1-CG2 3.92Å; V130-R567 HydrophobicContact CG1-CB 4.35Å; V130-R567 HydrophobicContact CG1-CG 4.06Å; V130-L571 HydrophobicContact CG2-CD1 4.13Å; V130-L571 HydrophobicContact CG2-CD2 3.5Å; V130-L571 HydrophobicContact CG2-CG 3.68Å
131A98.4Very high93.8Very high12 Ų1248.9 Ų48.910%0.09924%0.241CC..EExtended strand (participates in β ladder)trans-102.3114.4173.200000110L116 F133 I152 S153 T154 V155L116-A131 HydrophobicContact CD1-CB 3.92Å; A131-F133 HydrophobicContact CB-CD2 4.27Å; A131-F133 HydrophobicContact CB-CE2 3.47Å; A131-F133 VanDerWaalsContact CB-CE2 3.47Å; A131-F133 HydrophobicContact CB-CZ 3.99Å; A131-I152 HydrophobicContact CB-CG2 3.8Å; A131-S153 PolarHBondContact N-O 3.31Å; A131-T154 WeakPolarHBondContact O-CA 3.33Å; A131-V155 PolarHBondContact O-N 3.16Å
132H98.3Very high94Very high44 Ų4443.2 Ų43.220%0.20422%0.215CC..EExtended strand (participates in β ladder)trans-104.3107.2179.9-166.5153.2000110.3H134 V155 T157 Y563H132-H134 AromaticContact CD2-CD2 3.98Å; H132-H134 AromaticContact CD2-NE2 3.73Å; H132-H134 AromaticContact NE2-CE1 3.77Å; H132-H134 AromaticContact NE2-NE2 3.75Å; H132-V155 CarbonylContact C-O 3.57Å; H132-V155 WeakPolarHBondContact CA-O 3.46Å; H132-V155 HydrophobicContact CB-CB 4.23Å; H132-T157 PolarHBondContact NE2-OG1 3.26Å; H132-Y563 AromaticContact CE1-CD1 3.46Å; H132-Y563 VanDerWaalsContact CE1-CD1 3.46Å; H132-Y563 WeakPolarHBondContact CE1-CD1 3.4Å; H132-Y563 AromaticContact CE1-CE1 3.42Å; H132-Y563 VanDerWaalsContact CE1-CE1 3.42Å; H132-Y563 WeakPolarHBondContact CE1-CE1 3.15Å; H132-Y563 AromaticContact ND1-CD1 3.87Å
133F98.5Very high94.2Very high13 Ų1340.1 Ų40.16%0.05720%0.204CC..EExtended strand (participates in β ladder)trans-93.8136.3179.7-61.1-95.7000111.1V112 L116 A131 A138 L142 V145 T154 V155 F156 T157V112-F133 HydrophobicContact CG1-CE1 3.82Å; V112-F133 HydrophobicContact CG1-CZ 4.2Å; L116-F133 HydrophobicContact CD1-CZ 4.15Å; A131-F133 HydrophobicContact CB-CD2 4.27Å; A131-F133 HydrophobicContact CB-CE2 3.47Å; A131-F133 VanDerWaalsContact CB-CE2 3.47Å; A131-F133 HydrophobicContact CB-CZ 3.99Å; F133-A138 HydrophobicContact CB-CB 4.38Å; F133-A138 HydrophobicContact CD1-CB 4.18Å; F133-A138 WeakPolarHBondContact CD1-O 3.22Å; F133-L142 HydrophobicContact CB-CB 4.42Å; F133-L142 HydrophobicContact CB-CD1 4.22Å; F133-L142 HydrophobicContact CD1-CB 4.11Å; F133-L142 HydrophobicContact CD2-CB 3.59Å; F133-L142 HydrophobicContact CD2-CD1 3.72Å; F133-L142 HydrophobicContact CD2-CG 3.87Å; F133-L142 HydrophobicContact CE1-CB 4.22Å; F133-L142 HydrophobicContact CE2-CB 3.71Å; F133-L142 HydrophobicContact CE2-CD1 4.4Å; F133-L142 HydrophobicContact CE2-CG 4.07Å; F133-L142 HydrophobicContact CG-CB 3.78Å; F133-L142 HydrophobicContact CG-CD1 4.18Å; F133-L142 HydrophobicContact CG-CG 4.44Å; F133-L142 HydrophobicContact CZ-CB 4.03Å; F133-V145 HydrophobicContact CZ-CG2 4.45Å; F133-T154 HydrophobicContact CE2-CG2 4.33Å; F133-V155 PolarHBondContact N-O 3.41Å; F133-F156 HydrophobicContact CB-CD2 4.03Å; F133-F156 CarbonylContact O-C 3.49Å; F133-F156 WeakPolarHBondContact O-CA 3.3Å; F133-T157 PolarHBondContact O-N 2.8Å
134H97.4Very high94.6Very high25 Ų2539.2 Ų39.212%0.11620%0.197CC..EExtended strand (participates in β ladder)trans-116.3125.6179-75.8-87.5000109.3M1 K4 H132 A138 H159 Y563M1-H134 HydrophobicContact SD-CB 4.1Å; K4-H134 PolarHBondContact NZ-NE2 3.25Å; H132-H134 AromaticContact CD2-CD2 3.98Å; H132-H134 AromaticContact CD2-NE2 3.73Å; H132-H134 AromaticContact NE2-CE1 3.77Å; H132-H134 AromaticContact NE2-NE2 3.75Å; H134-A138 WeakPolarHBondContact O-CB 3.46Å; H134-H159 AromaticContact CE1-NE2 3.99Å; H134-H159 AromaticContact ND1-NE2 3.13Å; H134-H159 PolarHBondContact ND1-NE2 3Å; H134-H159 VanDerWaalsContact ND1-NE2 3.13Å; H134-Y563 AromaticContact CE1-CE1 3.92Å
135E96.1Very high95.4Very high44 Ų4431.6 Ų31.621%0.20616%0.156CC..Hα-helixtrans64.9161.9-178.8-60.8-60.9144.300115.8M137 A138 G139 F156 T157 H159E135-M137 PolarHBondContact O-N 2.96Å; E135-A138 PolarHBondContact O-N 3.42Å; E135-G139 PolarHBondContact O-N 3.48Å; E135-F156 WeakPolarHBondContact O-CE2 3.43Å; E135-T157 PolarHBondContact N-O 2.96Å; E135-H159 VanDerWaalsContact OE1-CA 3.29Å; E135-H159 WeakPolarHBondContact OE1-CA 3.31Å; E135-H159 WeakPolarHBondContact OE1-CB 3.42Å; E135-H159 IonicContact OE1-CD2 2.66Å; E135-H159 PolarHBondContact OE1-CD2 3.41Å; E135-H159 IonicContact OE1-CG 3.27Å; E135-H159 VanDerWaalsContact OE1-CG 3.3Å; E135-H159 PolarHBondContact OE1-N 3.18Å
136W96.6Very high96.3Very high14 Ų1425.8 Ų25.85%0.05314%0.135CC..Hα-helixtrans-59.7-31.1-177.273.8-90.4000113.1E101 A105 A138 G139 R195 L198 E199E101-W136 HydrophobicContact CG-CH2 4.01Å; E101-W136 HydrophobicContact CG-CZ2 4.09Å; A105-W136 HydrophobicContact CB-CZ3 4.06Å; W136-A138 VanDerWaalsContact C-N 3.31Å; W136-A138 PolarHBondContact O-N 3.46Å; W136-G139 WeakPolarHBondContact O-CA 3.44Å; W136-G139 PolarHBondContact O-N 3.1Å; W136-R195 HydrophobicContact CE3-CB 4.36Å; W136-R195 HydrophobicContact CH2-CB 4.39Å; W136-R195 HydrophobicContact CH2-CG 3.86Å; W136-R195 HydrophobicContact CZ2-CG 4.3Å; W136-R195 HydrophobicContact CZ3-CB 4.27Å; W136-R195 HydrophobicContact CZ3-CG 4.02Å; W136-L198 HydrophobicContact CE3-CB 4.46Å; W136-L198 HydrophobicContact CE3-CD1 4.17Å; W136-L198 HydrophobicContact CZ3-CD1 4.1Å; W136-E199 HydrophobicContact CB-CB 3.75Å; W136-E199 HydrophobicContact CB-CG 4.16Å
137M96.6Very high96.9Very high82 Ų8226.3 Ų26.340%0.40414%0.137SC..Hα-helixtrans-63.4-34.3-180-63.9175.27500112.8E101 A105 E135E101-M137 HydrophobicContact CG-CE 4.02Å; A105-M137 HydrophobicContact CB-CB 4.41Å; A105-M137 WeakPolarHBondContact CB-O 3.1Å; E135-M137 PolarHBondContact O-N 2.96Å
138A97.5Very high97.3Very high17 Ų1727.8 Ų27.814%0.1414%0.137CC..Hα-helixtrans-84.9-17.5172.500000112F108 F133 H134 E135 W136 V140 G141F108-A138 HydrophobicContact CE1-CB 4.3Å; F133-A138 HydrophobicContact CB-CB 4.38Å; F133-A138 HydrophobicContact CD1-CB 4.18Å; F133-A138 WeakPolarHBondContact CD1-O 3.22Å; H134-A138 WeakPolarHBondContact O-CB 3.46Å; E135-A138 PolarHBondContact O-N 3.42Å; W136-A138 VanDerWaalsContact C-N 3.31Å; W136-A138 PolarHBondContact O-N 3.46Å; A138-V140 VanDerWaalsContact C-N 3.29Å; A138-V140 PolarHBondContact O-N 2.93Å; A138-G141 PolarHBondContact O-N 2.76Å
139G97.4Very high97.4Very high0 Ų034.5 Ų34.50%017%0.165CC..Hα-helixtrans-61.1-28.4-171.400000115.2E135 W136 G141 L142 V143 S202E135-G139 PolarHBondContact O-N 3.48Å; W136-G139 WeakPolarHBondContact O-CA 3.44Å; W136-G139 PolarHBondContact O-N 3.1Å; G139-G141 PolarHBondContact O-N 3.48Å; G139-L142 WeakPolarHBondContact O-CA 3.46Å; G139-L142 VanDerWaalsContact O-CB 3.27Å; G139-L142 WeakPolarHBondContact O-CB 3.43Å; G139-L142 PolarHBondContact O-N 3.42Å; G139-V143 PolarHBondContact O-N 3.26Å; G139-S202 WeakPolarHBondContact CA-OG 3.48Å; G139-S202 PolarHBondContact O-OG 2.84Å
140V98.1Very high97.5Very high0 Ų034.7 Ų34.70%017%0.166CC..Hα-helixtrans-57.1-40.2176.5-178.40000111.4L87 V106 F110 A138 L142 V143 M144 L198L87-V140 HydrophobicContact CD1-CG1 4.25Å; V106-V140 HydrophobicContact CG2-CG2 4.46Å; F110-V140 HydrophobicContact CD2-CG1 4.13Å; F110-V140 HydrophobicContact CE2-CG1 4.15Å; A138-V140 VanDerWaalsContact C-N 3.29Å; A138-V140 PolarHBondContact O-N 2.93Å; V140-L142 VanDerWaalsContact C-N 3.3Å; V140-L142 PolarHBondContact O-N 3.17Å; V140-V143 PolarHBondContact O-N 3.43Å; V140-M144 HydrophobicContact CG1-CG 4.35Å; V140-M144 WeakPolarHBondContact O-CG 3.35Å; V140-M144 PolarHBondContact O-N 3.4Å; V140-L198 HydrophobicContact CG2-CD1 3.99Å; V140-L198 HydrophobicContact CG2-CD2 3.99Å
141G98.2Very high97.4Very high0 Ų035.4 Ų35.40%017%0.168CC..Hα-helixtrans-62.9-37.8176.900000112.4G109 A138 G139 M144 V145G109-G141 VanDerWaalsContact CA-N 3.33Å; G109-G141 WeakPolarHBondContact O-CA 3.43Å; A138-G141 PolarHBondContact O-N 2.76Å; G139-G141 PolarHBondContact O-N 3.48Å; G141-M144 PolarHBondContact O-N 2.89Å; G141-V145 WeakPolarHBondContact O-CB 3.27Å; G141-V145 WeakPolarHBondContact O-CG2 3.49Å; G141-V145 PolarHBondContact O-N 2.87Å
142L98.6Very high97.3Very high0 Ų035 Ų350%016%0.164CC..Hα-helixtrans-62.8-48.8174.3-172162.8000111.1F133 G139 V140 M144 V145 R146 T154 F156 S202 A206F133-L142 HydrophobicContact CB-CB 4.42Å; F133-L142 HydrophobicContact CB-CD1 4.22Å; F133-L142 HydrophobicContact CD1-CB 4.11Å; F133-L142 HydrophobicContact CD2-CB 3.59Å; F133-L142 HydrophobicContact CD2-CD1 3.72Å; F133-L142 HydrophobicContact CD2-CG 3.87Å; F133-L142 HydrophobicContact CE1-CB 4.22Å; F133-L142 HydrophobicContact CE2-CB 3.71Å; F133-L142 HydrophobicContact CE2-CD1 4.4Å; F133-L142 HydrophobicContact CE2-CG 4.07Å; F133-L142 HydrophobicContact CG-CB 3.78Å; F133-L142 HydrophobicContact CG-CD1 4.18Å; F133-L142 HydrophobicContact CG-CG 4.44Å; F133-L142 HydrophobicContact CZ-CB 4.03Å; G139-L142 WeakPolarHBondContact O-CA 3.46Å; G139-L142 VanDerWaalsContact O-CB 3.27Å; G139-L142 WeakPolarHBondContact O-CB 3.43Å; G139-L142 PolarHBondContact O-N 3.42Å; V140-L142 VanDerWaalsContact C-N 3.3Å; V140-L142 PolarHBondContact O-N 3.17Å; L142-M144 VanDerWaalsContact C-N 3.32Å; L142-M144 PolarHBondContact O-N 2.78Å; L142-V145 PolarHBondContact O-N 3.19Å; L142-R146 HydrophobicContact CD2-CG 4.08Å; L142-R146 WeakPolarHBondContact O-CG 3.19Å; L142-R146 PolarHBondContact O-N 2.95Å; L142-R146 VanDerWaalsContact O-N 3.1Å; L142-T154 HydrophobicContact CG-CG2 4.24Å; L142-F156 HydrophobicContact CD1-CB 3.72Å; L142-F156 HydrophobicContact CD1-CD2 3.95Å; L142-F156 HydrophobicContact CD1-CG 4.27Å; L142-S202 WeakPolarHBondContact CD2-O 3.38Å; L142-A206 HydrophobicContact CD1-CB 3.81Å; L142-A206 HydrophobicContact CD2-CB 4.33Å
143V98.2Very high97.3Very high1 Ų132.9 Ų32.91%0.00615%0.154CC..Hα-helixtrans-56.4-49.1178.7175.10000110C91 G139 V140 V145 R146 C147 A201C91-V143 HydrophobicContact CB-CG1 4.36Å; G139-V143 PolarHBondContact O-N 3.26Å; V140-V143 PolarHBondContact O-N 3.43Å; V143-V145 PolarHBondContact O-N 2.85Å; V143-R146 WeakPolarHBondContact O-CB 3.38Å; V143-R146 PolarHBondContact O-N 2.75Å; V143-R146 VanDerWaalsContact O-N 3.1Å; V143-C147 PolarHBondContact O-N 2.77Å; V143-C147 PolarHBondContact O-SG 3.01Å; V143-C147 VanDerWaalsContact O-SG 3.37Å; V143-A201 HydrophobicContact CG2-CB 3.95Å
144M98.2Very high97.3Very high0 Ų032.2 Ų32.20%015%0.152CC..Hα-helixtrans-67.8-38.1-178.8-64.1-46.3-59.300113.3E86 L87 F110 A113 V140 G141 L142 R146 C147 R148E86-M144 HydrophobicContact CG-CE 3.93Å; E86-M144 WeakPolarHBondContact OE1-CE 3.36Å; L87-M144 HydrophobicContact CD1-SD 3.87Å; F110-M144 HydrophobicContact CD2-CG 4.21Å; F110-M144 HydrophobicContact CE1-CE 3.79Å; F110-M144 HydrophobicContact CE1-CG 4.14Å; F110-M144 HydrophobicContact CE1-SD 4.29Å; F110-M144 HydrophobicContact CE2-CG 3.82Å; F110-M144 HydrophobicContact CE2-SD 4.1Å; F110-M144 HydrophobicContact CZ-CE 3.72Å; F110-M144 HydrophobicContact CZ-CG 3.79Å; F110-M144 HydrophobicContact CZ-SD 3.69Å; A113-M144 HydrophobicContact CB-CB 3.82Å; V140-M144 HydrophobicContact CG1-CG 4.35Å; V140-M144 WeakPolarHBondContact O-CG 3.35Å; V140-M144 PolarHBondContact O-N 3.4Å; G141-M144 PolarHBondContact O-N 2.89Å; L142-M144 VanDerWaalsContact C-N 3.32Å; L142-M144 PolarHBondContact O-N 2.78Å; M144-R146 PolarHBondContact O-N 3.39Å; M144-C147 PolarHBondContact O-N 2.86Å; M144-R148 VanDerWaalsContact O-CB 3.29Å; M144-R148 WeakPolarHBondContact O-CB 3.37Å; M144-R148 WeakPolarHBondContact O-CG 3.37Å; M144-R148 PolarHBondContact O-N 3.21Å
145V98.2Very high97.4Very high0 Ų031 Ų310%015%0.146CC..Hα-helixtrans-54.9-38.6171.4164.30000110.9A113 L116 F133 G141 L142 V143 K149 L150 I152 T154A113-V145 HydrophobicContact CB-CG2 4.14Å; L116-V145 HydrophobicContact CD1-CG2 3.77Å; F133-V145 HydrophobicContact CZ-CG2 4.45Å; G141-V145 WeakPolarHBondContact O-CB 3.27Å; G141-V145 WeakPolarHBondContact O-CG2 3.49Å; G141-V145 PolarHBondContact O-N 2.87Å; L142-V145 PolarHBondContact O-N 3.19Å; V143-V145 PolarHBondContact O-N 2.85Å; V145-K149 PolarHBondContact O-N 2.82Å; V145-L150 HydrophobicContact CB-CD1 4.36Å; V145-L150 HydrophobicContact CG1-CB 4.18Å; V145-L150 HydrophobicContact CG1-CD1 4.44Å; V145-L150 HydrophobicContact CG2-CD1 4.05Å; V145-L150 PolarHBondContact O-N 3.15Å; V145-I152 HydrophobicContact CG1-CB 4.12Å; V145-I152 HydrophobicContact CG1-CG2 4.37Å; V145-T154 HydrophobicContact CG1-CG2 3.83Å
146R97.6Very high97.5Very high95 Ų9529 Ų2936%0.35814%0.136SC..Hα-helixtrans-79.7-44.1-179.7-67.1-68.3-62147.9-2.6113L142 V143 M144 R148 K149 S205 H207L142-R146 HydrophobicContact CD2-CG 4.08Å; L142-R146 WeakPolarHBondContact O-CG 3.19Å; L142-R146 PolarHBondContact O-N 2.95Å; L142-R146 VanDerWaalsContact O-N 3.1Å; V143-R146 WeakPolarHBondContact O-CB 3.38Å; V143-R146 PolarHBondContact O-N 2.75Å; V143-R146 VanDerWaalsContact O-N 3.1Å; M144-R146 PolarHBondContact O-N 3.39Å; R146-R148 VanDerWaalsContact C-N 3.29Å; R146-R148 PolarHBondContact O-N 3.08Å; R146-K149 PolarHBondContact O-N 2.97Å; R146-S205 WeakPolarHBondContact CD-O 3.38Å; R146-S205 WeakPolarHBondContact CG-O 3.36Å; R146-S205 PolarHBondContact NE-O 2.89Å; R146-S205 VanDerWaalsContact NE-O 3.11Å; R146-H207 VanDerWaalsContact CZ-NE2 3.25Å; R146-H207 PolarHBondContact NH1-CE1 3.04Å; R146-H207 VanDerWaalsContact NH1-CE1 3.28Å; R146-H207 PolarHBondContact NH1-NE2 3.01Å
147C96.6Very high97.6Very high52 Ų5228.3 Ų28.335%0.35113%0.134SC..Hα-helixtrans-60.2-39.7175.6-69.80000111.5V143 M144 K149V143-C147 PolarHBondContact O-N 2.77Å; V143-C147 PolarHBondContact O-SG 3.01Å; V143-C147 VanDerWaalsContact O-SG 3.37Å; M144-C147 PolarHBondContact O-N 2.86Å; C147-K149 VanDerWaalsContact C-N 3.26Å; C147-K149 PolarHBondContact O-N 2.75Å
148R96.3Very high97.6Very high75 Ų7524.4 Ų24.428%0.28312%0.115SC..THydrogen-bonded Turntrans-80.3-1176-64-178.9-179.6-176.22.4114.2E86 M144 R146 L150E86-R148 VanDerWaalsContact CD-NH2 3.3Å; E86-R148 IonicContact OE1-CZ 3.37Å; E86-R148 VanDerWaalsContact OE1-CZ 3.25Å; E86-R148 IonicContact OE1-NE 3.04Å; E86-R148 PolarHBondContact OE1-NE 3.36Å; E86-R148 IonicContact OE1-NH2 2.79Å; E86-R148 PolarHBondContact OE1-NH2 3.2Å; E86-R148 IonicContact OE2-NH2 2.73Å; E86-R148 PolarHBondContact OE2-NH2 3.24Å; E86-R148 VanDerWaalsContact OE2-NH2 3.09Å; M144-R148 VanDerWaalsContact O-CB 3.29Å; M144-R148 WeakPolarHBondContact O-CB 3.37Å; M144-R148 WeakPolarHBondContact O-CG 3.37Å; M144-R148 PolarHBondContact O-N 3.21Å; R146-R148 VanDerWaalsContact C-N 3.29Å; R146-R148 PolarHBondContact O-N 3.08Å; R148-L150 VanDerWaalsContact C-N 3.27Å; R148-L150 HydrophobicContact CB-CD2 4.04Å; R148-L150 HydrophobicContact CB-CG 4.09Å; R148-L150 PolarHBondContact O-N 3.43Å
149K96Very high97.5Very high184 Ų18425.3 Ų25.380%0.812%0.116SC*.THydrogen-bonded Turntrans53.640.5178.8-55.2179.8-177.2176.50113.4V145 R146 C147V145-K149 PolarHBondContact O-N 2.82Å; R146-K149 PolarHBondContact O-N 2.97Å; C147-K149 VanDerWaalsContact C-N 3.26Å; C147-K149 PolarHBondContact O-N 2.75Å
150L96.4Very high97.4Very high25 Ų2525.4 Ų25.413%0.13112%0.117CC..  trans-67.4143.6177.2-52.9-177.4000110.4Q117 V145 R148 I152Q117-L150 HydrophobicContact CB-CD1 3.81Å; Q117-L150 HydrophobicContact CB-CD2 4.04Å; Q117-L150 HydrophobicContact CG-CD2 3.87Å; V145-L150 HydrophobicContact CB-CD1 4.36Å; V145-L150 HydrophobicContact CG1-CB 4.18Å; V145-L150 HydrophobicContact CG1-CD1 4.44Å; V145-L150 HydrophobicContact CG2-CD1 4.05Å; V145-L150 PolarHBondContact O-N 3.15Å; R148-L150 VanDerWaalsContact C-N 3.27Å; R148-L150 HydrophobicContact CB-CD2 4.04Å; R148-L150 HydrophobicContact CB-CG 4.09Å; R148-L150 PolarHBondContact O-N 3.43Å; L150-I152 HydrophobicContact CB-CD1 4.16Å; L150-I152 HydrophobicContact CB-CG1 4.32Å; L150-I152 HydrophobicContact CD1-CD1 4.41Å; L150-I152 PolarHBondContact O-N 3.19Å
151D95.6Very high97.4Very high60 Ų6025.4 Ų25.432%0.32112%0.117SC..SBendtrans-73.663.9179.5-176.436.8000111.6R120 H575R120-D151 IonicContact CZ-OD2 3.09Å; R120-D151 IonicContact NE-OD2 4Å; R120-D151 PolarHBondContact NE-OD2 3.44Å; R120-D151 IonicContact NH2-OD2 3.91Å; R120-D151 PolarHBondContact NH2-OD2 2.81Å; D151-H575 IonicContact OD1-CE1 3.05Å; D151-H575 PolarHBondContact OD1-CE1 3.42Å; D151-H575 IonicContact OD1-ND1 3.98Å; D151-H575 IonicContact OD1-NE2 3.87Å
152I97.4Very high97.2Very high3 Ų326.2 Ų26.22%0.01512%0.121CC..  trans-141.5128-172.4-61.7176.2000110L116 I129 A131 V145 L150 H207L116-I152 HydrophobicContact CB-CD1 3.6Å; L116-I152 HydrophobicContact CD1-CD1 4.3Å; L116-I152 HydrophobicContact CD2-CD1 4.29Å; L116-I152 HydrophobicContact CG-CD1 4.28Å; I129-I152 HydrophobicContact CB-CG1 4.3Å; I129-I152 HydrophobicContact CB-CG2 4.47Å; I129-I152 HydrophobicContact CG2-CG1 4.3Å; I129-I152 HydrophobicContact CG2-CG2 4.06Å; A131-I152 HydrophobicContact CB-CG2 3.8Å; V145-I152 HydrophobicContact CG1-CB 4.12Å; V145-I152 HydrophobicContact CG1-CG2 4.37Å; L150-I152 HydrophobicContact CB-CD1 4.16Å; L150-I152 HydrophobicContact CB-CG1 4.32Å; L150-I152 HydrophobicContact CD1-CD1 4.41Å; L150-I152 PolarHBondContact O-N 3.19Å; I152-H207 PolarHBondContact O-CE1 3.31Å
153S98.3Very high97.1Very high0 Ų026.2 Ų26.20%012%0.121CC..EExtended strand (participates in β ladder)trans-74.8135.7170.9-49.80000110.2I129 V130 A131 L571 T574I129-S153 PolarHBondContact O-N 3.28Å; V130-S153 CarbonylContact C-O 3.36Å; V130-S153 WeakPolarHBondContact CA-O 3.45Å; A131-S153 PolarHBondContact N-O 3.31Å; S153-L571 WeakPolarHBondContact OG-CD2 3.5Å; S153-T574 PolarHBondContact OG-OG1 2.98Å
154T98.7Very high96.9Very high0 Ų026.2 Ų26.20%012%0.121CC..EExtended strand (participates in β ladder)trans-120.1133.3-174.658.30000111.7A131 F133 L142 V145 H207 V208A131-T154 WeakPolarHBondContact O-CA 3.33Å; F133-T154 HydrophobicContact CE2-CG2 4.33Å; L142-T154 HydrophobicContact CG-CG2 4.24Å; V145-T154 HydrophobicContact CG1-CG2 3.83Å; T154-H207 PolarHBondContact N-ND1 2.83Å; T154-H207 WeakPolarHBondContact O-CB 3.48Å; T154-H207 PolarHBondContact O-N 3.09Å; T154-H207 PolarHBondContact OG1-N 3.04Å; T154-H207 VanDerWaalsContact OG1-N 3.1Å; T154-H207 PolarHBondContact OG1-ND1 3.27Å; T154-V208 PolarHBondContact O-N 3.2Å; T154-V208 VanDerWaalsContact O-N 3.09Å
155V98.7Very high96.6Very high0 Ų031.7 Ų31.70%014%0.141CC..EExtended strand (participates in β ladder)trans-120.3136.5173.1-174.20000108.2V130 A131 H132 F133 V208 T210 A566 A570V130-V155 HydrophobicContact CG1-CG2 3.92Å; A131-V155 PolarHBondContact O-N 3.16Å; H132-V155 CarbonylContact C-O 3.57Å; H132-V155 WeakPolarHBondContact CA-O 3.46Å; H132-V155 HydrophobicContact CB-CB 4.23Å; F133-V155 PolarHBondContact N-O 3.41Å; V155-V208 VanDerWaalsContact CA-O 3.31Å; V155-V208 WeakPolarHBondContact CA-O 3.21Å; V155-V208 HydrophobicContact CG1-CG1 4.32Å; V155-V208 HydrophobicContact CG2-CB 4.33Å; V155-T210 HydrophobicContact CG1-CG2 4.01Å; V155-A566 HydrophobicContact CG1-CB 4.19Å; V155-A570 HydrophobicContact CG2-CB 3.76Å
156F98.7Very high96.3Very high0 Ų035.9 Ų35.90%016%0.158CC..EExtended strand (participates in β ladder)trans-121.8131.6174-173.1-94.4000110.5F133 E135 L142 I203 A206 V208 F209 T210F133-F156 HydrophobicContact CB-CD2 4.03Å; F133-F156 CarbonylContact O-C 3.49Å; F133-F156 WeakPolarHBondContact O-CA 3.3Å; E135-F156 WeakPolarHBondContact O-CE2 3.43Å; L142-F156 HydrophobicContact CD1-CB 3.72Å; L142-F156 HydrophobicContact CD1-CD2 3.95Å; L142-F156 HydrophobicContact CD1-CG 4.27Å; F156-I203 HydrophobicContact CD1-CD1 4.35Å; F156-I203 HydrophobicContact CD1-CG1 3.42Å; F156-I203 VanDerWaalsContact CD1-CG1 3.42Å; F156-I203 HydrophobicContact CE1-CD1 3.9Å; F156-I203 HydrophobicContact CE1-CG1 3.32Å; F156-I203 HydrophobicContact CG-CG1 4.4Å; F156-I203 HydrophobicContact CZ-CG1 4.26Å; F156-A206 HydrophobicContact CB-CB 3.71Å; F156-V208 PolarHBondContact N-O 3.44Å; F156-F209 AromaticContact CD1-CD2 3.92Å; F156-F209 HydrophobicContact CD1-CD2 3.92Å; F156-F209 AromaticContact CD1-CE2 3.97Å; F156-F209 HydrophobicContact CD1-CE2 3.97Å; F156-F209 HydrophobicContact CE1-CE2 4.45Å; F156-T210 PolarHBondContact O-N 3.01Å; F156-T210 PolarHBondContact O-OG1 3.19Å
157T98.3Very high96Very high0 Ų031.3 Ų31.30%014%0.141CC..EExtended strand (participates in β ladder)trans-115123.3169.8-57.20000110.4H132 F133 E135 T210 V212H132-T157 PolarHBondContact NE2-OG1 3.26Å; F133-T157 PolarHBondContact O-N 2.8Å; E135-T157 PolarHBondContact N-O 2.96Å; T157-T210 WeakPolarHBondContact CA-O 3.48Å; T157-T210 VanDerWaalsContact CA-OG1 3.31Å; T157-T210 WeakPolarHBondContact CA-OG1 3.33Å; T157-T210 WeakPolarHBondContact CB-OG1 3.41Å; T157-T210 PolarHBondContact OG1-OG1 3.13Å; T157-V212 HydrophobicContact CG2-CG1 4.18Å
158T97.4Very high95.7Very high0 Ų029.2 Ų29.20%013%0.126CC..EExtended strand (participates in β ladder)trans-96.4127.2160.1-175.20000109.4A160 E199 F209 T210 T211 T216T158-A160 VanDerWaalsContact OG1-C 3.25Å; T158-A160 PolarHBondContact OG1-N 3.3Å; T158-A160 PolarHBondContact OG1-O 2.72Å; T158-E199 PolarHBondContact OG1-OE1 3.33Å; T158-F209 HydrophobicContact CG2-CE2 3.69Å; T158-F209 HydrophobicContact CG2-CZ 3.72Å; T158-T210 PolarHBondContact N-O 3.26Å; T158-T211 HydrophobicContact CG2-CG2 3.61Å; T158-T211 WeakPolarHBondContact O-CA 3.5Å; T158-T216 HydrophobicContact CG2-CG2 4.31Å
159H95.4Very high95.1Very high37 Ų3729.3 Ų29.317%0.17114%0.143CC..SBendtrans-86.3-20172.8-60.8-109.1000111.4H134 E135 V212 P469H134-H159 AromaticContact CE1-NE2 3.99Å; H134-H159 AromaticContact ND1-NE2 3.13Å; H134-H159 PolarHBondContact ND1-NE2 3Å; H134-H159 VanDerWaalsContact ND1-NE2 3.13Å; E135-H159 VanDerWaalsContact OE1-CA 3.29Å; E135-H159 WeakPolarHBondContact OE1-CA 3.31Å; E135-H159 WeakPolarHBondContact OE1-CB 3.42Å; E135-H159 IonicContact OE1-CD2 2.66Å; E135-H159 PolarHBondContact OE1-CD2 3.41Å; E135-H159 IonicContact OE1-CG 3.27Å; E135-H159 VanDerWaalsContact OE1-CG 3.3Å; E135-H159 PolarHBondContact OE1-N 3.18Å; H159-V212 HydrophobicContact CB-CG1 4.11Å; H159-V212 WeakPolarHBondContact ND1-CG1 3.39Å; H159-V212 WeakPolarHBondContact O-CG2 3.23Å; H159-P469 WeakPolarHBondContact O-CB 3.3Å
160A95.7Very high94.2Very high2 Ų222.9 Ų22.92%0.01713%0.129CC..SBendtrans-164.3137.8172.600000108.6T158 L162 R165 P469T158-A160 VanDerWaalsContact OG1-C 3.25Å; T158-A160 PolarHBondContact OG1-N 3.3Å; T158-A160 PolarHBondContact OG1-O 2.72Å; A160-L162 PolarHBondContact O-N 3.14Å; A160-R165 HydrophobicContact CB-CG 4Å; A160-P469 HydrophobicContact CB-CB 4.31Å; A160-P469 HydrophobicContact CB-CG 3.7Å
161T96.5Very high93.1Very high0 Ų026.7 Ų26.70%016%0.158CC..  trans-64.6134175.266.10000110.1L163 G164 R165 E219 A220 L223 L224T161-L163 PolarHBondContact O-N 3.04Å; T161-G164 PolarHBondContact O-N 3.36Å; T161-G164 VanDerWaalsContact OG1-CA 3.29Å; T161-G164 WeakPolarHBondContact OG1-CA 3.04Å; T161-G164 PolarHBondContact OG1-N 2.94Å; T161-R165 PolarHBondContact O-N 3.36Å; T161-R165 VanDerWaalsContact O-N 3.08Å; T161-E219 HydrophobicContact CG2-CB 3.68Å; T161-E219 PolarHBondContact OG1-OE2 3.36Å; T161-A220 HydrophobicContact CG2-CB 4.29Å; T161-L223 WeakPolarHBondContact OG1-CD1 3.43Å; T161-L224 HydrophobicContact CG2-CD1 3.69Å
162L95.6Very high92.4Very high17 Ų1726.2 Ų26.29%0.08916%0.157CC..Hα-helixtrans-59.8-51.4-177.6-179.166.7000110.3A160 G164 R165 Y166 I192 R195 E199A160-L162 PolarHBondContact O-N 3.14Å; L162-G164 VanDerWaalsContact C-N 3.33Å; L162-G164 PolarHBondContact O-N 2.96Å; L162-R165 PolarHBondContact O-N 2.65Å; L162-Y166 HydrophobicContact CD1-CD2 4.36Å; L162-Y166 HydrophobicContact CD1-CE2 3.92Å; L162-Y166 HydrophobicContact CG-CE2 4.44Å; L162-Y166 WeakPolarHBondContact O-CD2 3.22Å; L162-Y166 PolarHBondContact O-N 3.01Å; L162-I192 HydrophobicContact CD2-CD1 4.25Å; L162-I192 HydrophobicContact CG-CD1 4.11Å; L162-R195 HydrophobicContact CD2-CB 3.4Å; L162-E199 VanDerWaalsContact CB-OE2 3.23Å; L162-E199 WeakPolarHBondContact CB-OE2 3.4Å; L162-E199 PolarHBondContact N-OE1 2.95Å; L162-E199 PolarHBondContact N-OE2 2.98Å
163L95Very high91.9Very high0 Ų029.6 Ų29.60%018%0.175CC..Hα-helixtrans-64.1-37.8-179.9-175.358.5000112.1T161 R165 Y166 L167 L183 E186 A187 I192 Y196T161-L163 PolarHBondContact O-N 3.04Å; L163-R165 VanDerWaalsContact C-N 3.35Å; L163-R165 PolarHBondContact O-N 3.01Å; L163-Y166 PolarHBondContact O-N 3.5Å; L163-L167 HydrophobicContact CD1-CD1 4.4Å; L163-L167 HydrophobicContact CD1-CG 4.34Å; L163-L167 HydrophobicContact CD2-CD1 4.45Å; L163-L167 HydrophobicContact CG-CD1 3.86Å; L163-L167 HydrophobicContact CG-CG 4.3Å; L163-L167 WeakPolarHBondContact O-CG 3.35Å; L163-L167 PolarHBondContact O-N 3.26Å; L163-L183 HydrophobicContact CD2-CB 4.22Å; L163-L183 HydrophobicContact CD2-CD2 4.02Å; L163-E186 HydrophobicContact CD1-CB 4.04Å; L163-E186 HydrophobicContact CD2-CB 4.41Å; L163-A187 HydrophobicContact CD1-CB 4.23Å; L163-I192 HydrophobicContact CD1-CD1 4.43Å; L163-Y196 HydrophobicContact CB-CD2 4.1Å; L163-Y196 HydrophobicContact CB-CE2 4.42Å; L163-Y196 HydrophobicContact CD2-CD2 4.35Å; L163-Y196 HydrophobicContact CD2-CE2 4.15Å
164G94.3Very high91.6Very high0 Ų029.6 Ų29.60%018%0.175CC..Hα-helixtrans-61.4-41177.400000112.7T161 L162 Y166 L167 C168T161-G164 PolarHBondContact O-N 3.36Å; T161-G164 VanDerWaalsContact OG1-CA 3.29Å; T161-G164 WeakPolarHBondContact OG1-CA 3.04Å; T161-G164 PolarHBondContact OG1-N 2.94Å; L162-G164 VanDerWaalsContact C-N 3.33Å; L162-G164 PolarHBondContact O-N 2.96Å; G164-Y166 VanDerWaalsContact C-N 3.31Å; G164-Y166 PolarHBondContact O-N 3.05Å; G164-L167 PolarHBondContact O-N 3.05Å; G164-C168 PolarHBondContact O-N 3.24Å; G164-C168 PolarHBondContact O-SG 3.45Å
165R91.9Very high91.3Very high115 Ų11529.8 Ų29.843%0.43418%0.176SC..Hα-helixtrans-57.7-44.2174.1-78.5-169.1168.9177.17.2112.5A160 T161 L162 L163 A169 Y467A160-R165 HydrophobicContact CB-CG 4Å; T161-R165 PolarHBondContact O-N 3.36Å; T161-R165 VanDerWaalsContact O-N 3.08Å; L162-R165 PolarHBondContact O-N 2.65Å; L163-R165 VanDerWaalsContact C-N 3.35Å; L163-R165 PolarHBondContact O-N 3.01Å; R165-A169 PolarHBondContact O-N 3.27Å; R165-Y467 HydrophobicContact CG-CE1 3.89Å; R165-Y467 WeakPolarHBondContact CG-OH 3.43Å; R165-Y467 PolarHBondContact N-OH 2.98Å
166Y92.1Very high90.9Very high88 Ų8833.7 Ų33.735%0.34520%0.197SC..Hα-helixtrans-71.8-36.1179.9-85.2-98.1000113L162 L163 G164 A169 R190 I192L162-Y166 HydrophobicContact CD1-CD2 4.36Å; L162-Y166 HydrophobicContact CD1-CE2 3.92Å; L162-Y166 HydrophobicContact CG-CE2 4.44Å; L162-Y166 WeakPolarHBondContact O-CD2 3.22Å; L162-Y166 PolarHBondContact O-N 3.01Å; L163-Y166 PolarHBondContact O-N 3.5Å; G164-Y166 VanDerWaalsContact C-N 3.31Å; G164-Y166 PolarHBondContact O-N 3.05Å; Y166-A169 PolarHBondContact O-N 3.49Å; Y166-R190 HydrophobicContact CD1-CB 4.29Å; Y166-R190 HydrophobicContact CD1-CG 4.46Å; Y166-I192 HydrophobicContact CD1-CD1 4.38Å; Y166-I192 HydrophobicContact CD2-CD1 3.62Å; Y166-I192 HydrophobicContact CE1-CG2 4.09Å; Y166-I192 HydrophobicContact CE2-CD1 3.87Å; Y166-I192 HydrophobicContact CE2-CG2 4.13Å; Y166-I192 HydrophobicContact CG-CD1 3.89Å
167L92.3Very high90.7Very high0 Ų035.7 Ų35.70%021%0.207CC..Hα-helixtrans-63.7-48.7176.6-75.7166.4000110.6L163 G164 A169 G170 V172 F174 F181 E186 L223L163-L167 HydrophobicContact CD1-CD1 4.4Å; L163-L167 HydrophobicContact CD1-CG 4.34Å; L163-L167 HydrophobicContact CD2-CD1 4.45Å; L163-L167 HydrophobicContact CG-CD1 3.86Å; L163-L167 HydrophobicContact CG-CG 4.3Å; L163-L167 WeakPolarHBondContact O-CG 3.35Å; L163-L167 PolarHBondContact O-N 3.26Å; G164-L167 PolarHBondContact O-N 3.05Å; L167-A169 VanDerWaalsContact C-N 3.28Å; L167-A169 PolarHBondContact O-N 3.37Å; L167-G170 PolarHBondContact O-N 2.58Å; L167-V172 HydrophobicContact CB-CG2 4.14Å; L167-V172 HydrophobicContact CD2-CG2 4.41Å; L167-V172 VanDerWaalsContact O-CG2 3.31Å; L167-V172 WeakPolarHBondContact O-CG2 3.28Å; L167-F174 HydrophobicContact CB-CD2 3.8Å; L167-F174 HydrophobicContact CB-CE2 3.98Å; L167-F174 HydrophobicContact CD1-CD2 4.05Å; L167-F174 HydrophobicContact CD1-CE2 3.73Å; L167-F181 HydrophobicContact CD1-CD1 4.45Å; L167-F181 HydrophobicContact CD1-CD2 4.2Å; L167-F181 HydrophobicContact CD1-CE2 4.35Å; L167-F181 HydrophobicContact CD1-CG 4.27Å; L167-F181 HydrophobicContact CD2-CD1 4Å; L167-F181 HydrophobicContact CD2-CE1 3.85Å; L167-F181 HydrophobicContact CD2-CZ 4.32Å; L167-E186 HydrophobicContact CD2-CB 4.48Å; L167-E186 HydrophobicContact CD2-CG 4.31Å; L167-E186 WeakPolarHBondContact CD2-OE2 3.32Å; L167-L223 HydrophobicContact CD1-CD2 4.32Å
168C89.1Confident90.4Very high7 Ų735.9 Ų35.95%0.04721%0.209CC..Hα-helixtrans-64.2-29.9179.5-70.20000113.7G164 G170 F174 Y467G164-C168 PolarHBondContact O-N 3.24Å; G164-C168 PolarHBondContact O-SG 3.45Å; C168-G170 PolarHBondContact O-N 3.42Å; C168-F174 WeakPolarHBondContact SG-CD1 3.39Å; C168-F174 WeakPolarHBondContact SG-CG 3.29Å; C168-Y467 HydrophobicContact CB-CD1 4.28Å; C168-Y467 HydrophobicContact CB-CD2 4.05Å; C168-Y467 HydrophobicContact CB-CG 3.87Å; C168-Y467 WeakPolarHBondContact SG-CD2 3.27Å
169A83.9Confident90.2Very high77 Ų7741.2 Ų41.264%0.63624%0.237SC*.Hα-helixtrans-66.2-22.6173.500000113.2R165 Y166 L167R165-A169 PolarHBondContact O-N 3.27Å; Y166-A169 PolarHBondContact O-N 3.49Å; L167-A169 VanDerWaalsContact C-N 3.28Å; L167-A169 PolarHBondContact O-N 3.37Å
170G77.8Confident90.1Very high49 Ų4946.2 Ų46.251%0.50526%0.258SS..THydrogen-bonded Turntrans-89.711.7-17900000115.7L167 C168 V172L167-G170 PolarHBondContact O-N 2.58Å; C168-G170 PolarHBondContact O-N 3.42Å; G170-V172 PolarHBondContact O-N 2.92Å; G170-V172 VanDerWaalsContact O-N 3.16Å
171S72.5Confident90Very high106 Ų10647.6 Ų47.674%0.74126%0.264SS*.THydrogen-bonded Turntrans55.929.2-179.5-56.50000115
172V80.5Confident90Very high49 Ų4951.9 Ų51.930%0.29729%0.287SS..  trans-80.4150.6173.5-54.90000110.5L167 G170 F174 F181L167-V172 HydrophobicContact CB-CG2 4.14Å; L167-V172 HydrophobicContact CD2-CG2 4.41Å; L167-V172 VanDerWaalsContact O-CG2 3.31Å; L167-V172 WeakPolarHBondContact O-CG2 3.28Å; G170-V172 PolarHBondContact O-N 2.92Å; G170-V172 VanDerWaalsContact O-N 3.16Å; V172-F174 VanDerWaalsContact C-N 3.26Å; V172-F174 HydrophobicContact CG2-CB 4.29Å; V172-F174 PolarHBondContact O-N 3.01Å; V172-F181 HydrophobicContact CG2-CE1 4.37Å; V172-F181 HydrophobicContact CG2-CZ 4.01Å
173D87.3Confident90Very high74 Ų7451.7 Ų51.740%0.39629%0.286SS..  trans-72.185.8168.3-174.99.9000109.7N176 N177 Y466D173-N176 VanDerWaalsContact CG-ND2 3.34Å; D173-N176 PolarHBondContact OD1-ND2 3.1Å; D173-N176 VanDerWaalsContact OD2-CB 3.31Å; D173-N176 WeakPolarHBondContact OD2-CB 3.44Å; D173-N176 PolarHBondContact OD2-ND2 3.12Å; D173-N177 WeakPolarHBondContact O-CB 3.24Å; D173-N177 PolarHBondContact O-ND2 2.89Å; D173-Y466 PolarHBondContact OD1-OH 3.18Å
174F92.2Very high90Very high0 Ų055.1 Ų55.10%030%0.304CS..  trans-69.9-60-168.4178.1-122.1000113L167 C168 V172 N176 N177 L178 F181 E219 L223 Y466 Y467L167-F174 HydrophobicContact CB-CD2 3.8Å; L167-F174 HydrophobicContact CB-CE2 3.98Å; L167-F174 HydrophobicContact CD1-CD2 4.05Å; L167-F174 HydrophobicContact CD1-CE2 3.73Å; C168-F174 WeakPolarHBondContact SG-CD1 3.39Å; C168-F174 WeakPolarHBondContact SG-CG 3.29Å; V172-F174 VanDerWaalsContact C-N 3.26Å; V172-F174 HydrophobicContact CG2-CB 4.29Å; V172-F174 PolarHBondContact O-N 3.01Å; F174-N176 VanDerWaalsContact C-N 3.29Å; F174-N176 PolarHBondContact O-N 2.98Å; F174-N177 PolarHBondContact O-N 2.97Å; F174-N177 VanDerWaalsContact O-N 3.16Å; F174-L178 HydrophobicContact CD2-CD2 4.12Å; F174-L178 HydrophobicContact CE1-CD2 4.09Å; F174-L178 HydrophobicContact CE2-CD2 3.65Å; F174-L178 HydrophobicContact CZ-CD2 3.65Å; F174-L178 PolarHBondContact O-N 3.35Å; F174-F181 AromaticContact CD2-CE2 3.93Å; F174-F181 HydrophobicContact CD2-CE2 3.93Å; F174-F181 HydrophobicContact CD2-CZ 4.39Å; F174-E219 HydrophobicContact CE1-CG 3.83Å; F174-E219 HydrophobicContact CZ-CG 3.9Å; F174-L223 HydrophobicContact CE2-CD1 3.89Å; F174-L223 HydrophobicContact CZ-CD1 3.8Å; F174-Y466 HydrophobicContact CB-CE1 4.06Å; F174-Y466 PolarHBondContact N-OH 2.95Å; F174-Y467 HydrophobicContact CD1-CD2 4.38Å; F174-Y467 HydrophobicContact CE1-CD2 4.13Å; F174-Y467 AromaticContact CE1-CE2 4Å; F174-Y467 HydrophobicContact CE1-CE2 4Å
175Y92.6Very high90.1Very high4 Ų462.6 Ų62.62%0.01633%0.332CS..THydrogen-bonded Turntrans-68.7-25.8-171.2-71.6-75.5000114N177 L178 I215 E219 Y466 L489 R514Y175-N177 VanDerWaalsContact C-N 3.33Å; Y175-L178 HydrophobicContact CD1-CD1 4.1Å; Y175-I215 HydrophobicContact CD1-CD1 3.94Å; Y175-I215 HydrophobicContact CE1-CD1 3.47Å; Y175-I215 VanDerWaalsContact CE1-CD1 3.47Å; Y175-I215 HydrophobicContact CE1-CG1 3.59Å; Y175-E219 HydrophobicContact CE1-CG 4.22Å; Y175-E219 PolarHBondContact OH-OE1 3.31Å; Y175-Y466 HydrophobicContact CD2-CE1 4.19Å; Y175-Y466 HydrophobicContact CD2-CE2 4.06Å; Y175-Y466 AromaticContact CD2-CZ 3.83Å; Y175-Y466 HydrophobicContact CE2-CE1 4.42Å; Y175-Y466 WeakPolarHBondContact CE2-O 3.32Å; Y175-Y466 PolarHBondContact N-OH 2.96Å; Y175-L489 HydrophobicContact CD1-CD2 3.97Å; Y175-L489 HydrophobicContact CD2-CD1 3.76Å; Y175-L489 HydrophobicContact CD2-CD2 3.74Å; Y175-L489 HydrophobicContact CD2-CG 4.3Å; Y175-L489 HydrophobicContact CE1-CD2 4.17Å; Y175-L489 HydrophobicContact CE2-CB 4.32Å; Y175-L489 HydrophobicContact CE2-CD1 3.99Å; Y175-L489 HydrophobicContact CE2-CD2 3.94Å; Y175-L489 HydrophobicContact CE2-CG 4.32Å; Y175-L489 HydrophobicContact CG-CD1 4.46Å; Y175-L489 HydrophobicContact CG-CD2 3.73Å; Y175-R514 PolarHBondContact O-NH2 2.93Å
176N91Very high90.3Very high82 Ų8259.1 Ų59.144%0.43932%0.321SS..THydrogen-bonded Turntrans-83.9-8.9178.2-64.5-36.8000113.8D173 F174 R514D173-N176 VanDerWaalsContact CG-ND2 3.34Å; D173-N176 PolarHBondContact OD1-ND2 3.1Å; D173-N176 VanDerWaalsContact OD2-CB 3.31Å; D173-N176 WeakPolarHBondContact OD2-CB 3.44Å; D173-N176 PolarHBondContact OD2-ND2 3.12Å; F174-N176 VanDerWaalsContact C-N 3.29Å; F174-N176 PolarHBondContact O-N 2.98Å; N176-R514 PolarHBondContact OD1-NH1 3.26Å
177N93Very high90.5Very high42 Ų4254.9 Ų54.923%0.22531%0.305CS..SBendtrans-127.416.5-177.4-61.5-66.9000113D173 F174 Y175 D179 K180 F181D173-N177 WeakPolarHBondContact O-CB 3.24Å; D173-N177 PolarHBondContact O-ND2 2.89Å; F174-N177 PolarHBondContact O-N 2.97Å; F174-N177 VanDerWaalsContact O-N 3.16Å; Y175-N177 VanDerWaalsContact C-N 3.33Å; N177-D179 PolarHBondContact O-N 2.65Å; N177-D179 VanDerWaalsContact O-N 3.09Å; N177-K180 HydrophobicContact CB-CB 4.35Å; N177-K180 HydrophobicContact CB-CD 4.37Å; N177-K180 PolarHBondContact O-N 2.84Å; N177-K180 WeakPolarHBondContact OD1-CD 3.44Å; N177-K180 PolarHBondContact OD1-NZ 3.02Å; N177-F181 HydrophobicContact CB-CE2 4.04Å; N177-F181 HydrophobicContact CB-CZ 4.08Å; N177-F181 WeakPolarHBondContact O-CD2 3.48Å; N177-F181 VanDerWaalsContact O-CE2 3.31Å; N177-F181 WeakPolarHBondContact O-CE2 3.28Å; N177-F181 PolarHBondContact O-N 2.89Å
178L93.1Very high90.6Very high5 Ų556.7 Ų56.73%0.02632%0.323CS..THydrogen-bonded Turntrans-50.8-36-178.9-79.1175.9000113.8F174 Y175 V218 H222 L223F174-L178 HydrophobicContact CD2-CD2 4.12Å; F174-L178 HydrophobicContact CE1-CD2 4.09Å; F174-L178 HydrophobicContact CE2-CD2 3.65Å; F174-L178 HydrophobicContact CZ-CD2 3.65Å; F174-L178 PolarHBondContact O-N 3.35Å; Y175-L178 HydrophobicContact CD1-CD1 4.1Å; L178-V218 HydrophobicContact CD1-CG1 3.88Å; L178-H222 HydrophobicContact CB-CB 3.93Å; L178-L223 HydrophobicContact CD2-CD2 4.39Å; L178-L223 HydrophobicContact CD2-CG 4.49Å
179D92.7Very high90.9Very high112 Ų11261.8 Ų61.860%0.59935%0.35SS*.THydrogen-bonded Turntrans-82.3-14.1179.662.3-40.6000114N177N177-D179 PolarHBondContact O-N 2.65Å; N177-D179 VanDerWaalsContact O-N 3.09Å
180K94Very high91.4Very high141 Ų14161.6 Ų61.661%0.61333%0.332SS*.THydrogen-bonded Turntrans-99.6-12.5-174-56-178.6-161.6156.20114.1N177N177-K180 HydrophobicContact CB-CB 4.35Å; N177-K180 HydrophobicContact CB-CD 4.37Å; N177-K180 PolarHBondContact O-N 2.84Å; N177-K180 WeakPolarHBondContact OD1-CD 3.44Å; N177-K180 PolarHBondContact OD1-NZ 3.02Å
181F93.5Very high92.2Very high31 Ų3161.9 Ų61.914%0.13634%0.335CS..  trans-70.7130-179.8-68.7-66.2000112L167 V172 F174 N177 L183 E186L167-F181 HydrophobicContact CD1-CD1 4.45Å; L167-F181 HydrophobicContact CD1-CD2 4.2Å; L167-F181 HydrophobicContact CD1-CE2 4.35Å; L167-F181 HydrophobicContact CD1-CG 4.27Å; L167-F181 HydrophobicContact CD2-CD1 4Å; L167-F181 HydrophobicContact CD2-CE1 3.85Å; L167-F181 HydrophobicContact CD2-CZ 4.32Å; V172-F181 HydrophobicContact CG2-CE1 4.37Å; V172-F181 HydrophobicContact CG2-CZ 4.01Å; F174-F181 AromaticContact CD2-CE2 3.93Å; F174-F181 HydrophobicContact CD2-CE2 3.93Å; F174-F181 HydrophobicContact CD2-CZ 4.39Å; N177-F181 HydrophobicContact CB-CE2 4.04Å; N177-F181 HydrophobicContact CB-CZ 4.08Å; N177-F181 WeakPolarHBondContact O-CD2 3.48Å; N177-F181 VanDerWaalsContact O-CE2 3.31Å; N177-F181 WeakPolarHBondContact O-CE2 3.28Å; N177-F181 PolarHBondContact O-N 2.89Å; F181-L183 HydrophobicContact CB-CD2 4.06Å; F181-L183 PolarHBondContact O-N 2.83Å; F181-E186 HydrophobicContact CB-CG 4.42Å; F181-E186 HydrophobicContact CD1-CG 4.26Å
182D95.3Very high93.3Very high91 Ų9157 Ų5749%0.48730%0.301SS..  trans-78.597.1165.4-177.5-18.1000109D184 R185 E186D182-D184 VanDerWaalsContact C-N 3.35Å; D182-D184 PolarHBondContact O-N 2.87Å; D182-D184 PolarHBondContact OD1-N 2.79Å; D182-R185 HydrophobicContact CB-CB 3.98Å; D182-R185 VanDerWaalsContact CG-CB 3.47Å; D182-R185 PolarHBondContact O-N 3.05Å; D182-R185 PolarHBondContact OD1-N 3.14Å; D182-E186 WeakPolarHBondContact O-CB 3.39Å; D182-E186 WeakPolarHBondContact O-CG 3.26Å; D182-E186 PolarHBondContact O-N 2.9Å
183L95.8Very high94.1Very high13 Ų1359.8 Ų59.87%0.06831%0.307CS..Hα-helixtrans-63.6-39.2-167-51.7175.6000113.3L163 F181 A187 Y196 H222 L223 K225L163-L183 HydrophobicContact CD2-CB 4.22Å; L163-L183 HydrophobicContact CD2-CD2 4.02Å; F181-L183 HydrophobicContact CB-CD2 4.06Å; F181-L183 PolarHBondContact O-N 2.83Å; L183-A187 VanDerWaalsContact O-CB 3.31Å; L183-A187 WeakPolarHBondContact O-CB 3.25Å; L183-A187 PolarHBondContact O-N 2.97Å; L183-Y196 HydrophobicContact CB-CE1 4.44Å; L183-H222 WeakPolarHBondContact CD1-O 3.21Å; L183-L223 WeakPolarHBondContact CD1-O 3.43Å; L183-L223 HydrophobicContact CD2-CB 4.47Å; L183-L223 HydrophobicContact CD2-CD2 3.57Å; L183-K225 HydrophobicContact CD1-CD 4.39Å; L183-K225 VanDerWaalsContact CD1-CE 3.47Å
184D95.4Very high94.5Very high71 Ų7157.1 Ų57.138%0.3829%0.292SS..Hα-helixtrans-71.2-43.1-177.9-69.3-35.2000110D182 G188 Y193D182-D184 VanDerWaalsContact C-N 3.35Å; D182-D184 PolarHBondContact O-N 2.87Å; D182-D184 PolarHBondContact OD1-N 2.79Å; D184-G188 PolarHBondContact O-N 2.84Å; D184-Y193 HydrophobicContact CB-CE2 3.74Å; D184-Y193 WeakPolarHBondContact OD1-CE2 3.42Å
185R96.3Very high94.8Very high157 Ų15758.5 Ų58.559%0.59230%0.297SS*.Hα-helixtrans-62.4-49.5173.4-178.8179.7177.5171.70.9112D182 A187 G188 D189D182-R185 HydrophobicContact CB-CB 3.98Å; D182-R185 VanDerWaalsContact CG-CB 3.47Å; D182-R185 PolarHBondContact O-N 3.05Å; D182-R185 PolarHBondContact OD1-N 3.14Å; R185-A187 VanDerWaalsContact C-N 3.29Å; R185-A187 PolarHBondContact O-N 3.16Å; R185-G188 PolarHBondContact O-N 2.71Å; R185-G188 VanDerWaalsContact O-N 3.12Å; R185-D189 WeakPolarHBondContact CG-OD2 2.87Å; R185-D189 IonicContact NE-OD2 2.93Å; R185-D189 WeakPolarHBondContact O-CB 3.46Å; R185-D189 PolarHBondContact O-N 3Å
186E95.4Very high95Very high42 Ų4258.4 Ų58.420%0.19630%0.297CS..Hα-helixtrans-61.9-37.6-177.7-67.9-70.516200111.7L163 L167 F181 D182 R190L163-E186 HydrophobicContact CD1-CB 4.04Å; L163-E186 HydrophobicContact CD2-CB 4.41Å; L167-E186 HydrophobicContact CD2-CB 4.48Å; L167-E186 HydrophobicContact CD2-CG 4.31Å; L167-E186 WeakPolarHBondContact CD2-OE2 3.32Å; F181-E186 HydrophobicContact CB-CG 4.42Å; F181-E186 HydrophobicContact CD1-CG 4.26Å; D182-E186 WeakPolarHBondContact O-CB 3.39Å; D182-E186 WeakPolarHBondContact O-CG 3.26Å; D182-E186 PolarHBondContact O-N 2.9Å; E186-R190 WeakPolarHBondContact O-CD 3.41Å; E186-R190 WeakPolarHBondContact O-CG 2.78Å; E186-R190 PolarHBondContact O-NH1 2.83Å; E186-R190 IonicContact OE2-CZ 3.92Å; E186-R190 VanDerWaalsContact OE2-CZ 3.23Å; E186-R190 IonicContact OE2-NH1 3.4Å; E186-R190 PolarHBondContact OE2-NH1 3.07Å; E186-R190 IonicContact OE2-NH2 3.74Å; E186-R190 PolarHBondContact OE2-NH2 3.35Å
187A96.1Very high95.3Very high0 Ų055.7 Ų55.70%028%0.284CS..Hα-helixtrans-72.6-36.8174.800000112.4L163 L183 R185 G191 I192 Y193 Y196L163-A187 HydrophobicContact CD1-CB 4.23Å; L183-A187 VanDerWaalsContact O-CB 3.31Å; L183-A187 WeakPolarHBondContact O-CB 3.25Å; L183-A187 PolarHBondContact O-N 2.97Å; R185-A187 VanDerWaalsContact C-N 3.29Å; R185-A187 PolarHBondContact O-N 3.16Å; A187-G191 PolarHBondContact O-N 2.89Å; A187-I192 HydrophobicContact CB-CG1 4.38Å; A187-I192 WeakPolarHBondContact O-CG1 3.23Å; A187-I192 PolarHBondContact O-N 3.09Å; A187-Y193 HydrophobicContact CB-CD2 4.18Å; A187-Y193 PolarHBondContact O-N 3.49Å; A187-Y196 HydrophobicContact CB-CD1 3.94Å; A187-Y196 HydrophobicContact CB-CG 3.92Å
188G95.9Very high95.5Very high37 Ų3753.7 Ų53.738%0.38127%0.274SS..Hα-helixtrans-64.1-50.5175.400000113.3D184 R185 R190 G191D184-G188 PolarHBondContact O-N 2.84Å; R185-G188 PolarHBondContact O-N 2.71Å; R185-G188 VanDerWaalsContact O-N 3.12Å; G188-R190 PolarHBondContact O-N 3.41Å; G188-G191 PolarHBondContact O-N 3.44Å
189D94.7Very high95.7Very high114 Ų11453.5 Ų53.561%0.6127%0.272SS*.Hα-helixtrans-60-21-179.7-72.4-11.6000112.4R185R185-D189 WeakPolarHBondContact CG-OD2 2.87Å; R185-D189 IonicContact NE-OD2 2.93Å; R185-D189 WeakPolarHBondContact O-CB 3.46Å; R185-D189 PolarHBondContact O-N 3Å
190R94Very high95.9Very high73 Ų7352.1 Ų52.128%0.27526%0.259SS..THydrogen-bonded Turntrans-101.31177.9-68.4170.7177.872.5-1.9114.1Y166 E186 G188 I192Y166-R190 HydrophobicContact CD1-CB 4.29Å; Y166-R190 HydrophobicContact CD1-CG 4.46Å; E186-R190 WeakPolarHBondContact O-CD 3.41Å; E186-R190 WeakPolarHBondContact O-CG 2.78Å; E186-R190 PolarHBondContact O-NH1 2.83Å; E186-R190 IonicContact OE2-CZ 3.92Å; E186-R190 VanDerWaalsContact OE2-CZ 3.23Å; E186-R190 IonicContact OE2-NH1 3.4Å; E186-R190 PolarHBondContact OE2-NH1 3.07Å; E186-R190 IonicContact OE2-NH2 3.74Å; E186-R190 PolarHBondContact OE2-NH2 3.35Å; G188-R190 PolarHBondContact O-N 3.41Å; R190-I192 VanDerWaalsContact C-N 3.26Å; R190-I192 HydrophobicContact CB-CG1 4.03Å; R190-I192 PolarHBondContact O-N 3.38Å
191G94.2Very high96.1Very high55 Ų5546.3 Ų46.357%0.56724%0.237SC*.THydrogen-bonded Turntrans68.320.6179.200000114.6A187 G188 H194A187-G191 PolarHBondContact O-N 2.89Å; G188-G191 PolarHBondContact O-N 3.44Å; G191-H194 PolarHBondContact O-CE1 3.17Å
192I95.7Very high96.3Very high4 Ų444.9 Ų44.92%0.02123%0.231CC..  trans-11612.9-178.260.6159.7000113.1L162 L163 Y166 A187 R190 H194 R195 Y196L162-I192 HydrophobicContact CD2-CD1 4.25Å; L162-I192 HydrophobicContact CG-CD1 4.11Å; L163-I192 HydrophobicContact CD1-CD1 4.43Å; Y166-I192 HydrophobicContact CD1-CD1 4.38Å; Y166-I192 HydrophobicContact CD2-CD1 3.62Å; Y166-I192 HydrophobicContact CE1-CG2 4.09Å; Y166-I192 HydrophobicContact CE2-CD1 3.87Å; Y166-I192 HydrophobicContact CE2-CG2 4.13Å; Y166-I192 HydrophobicContact CG-CD1 3.89Å; A187-I192 HydrophobicContact CB-CG1 4.38Å; A187-I192 WeakPolarHBondContact O-CG1 3.23Å; A187-I192 PolarHBondContact O-N 3.09Å; R190-I192 VanDerWaalsContact C-N 3.26Å; R190-I192 HydrophobicContact CB-CG1 4.03Å; R190-I192 PolarHBondContact O-N 3.38Å; I192-H194 VanDerWaalsContact C-N 3.32Å; I192-H194 PolarHBondContact O-N 3.1Å; I192-R195 PolarHBondContact O-N 3.45Å; I192-Y196 PolarHBondContact O-N 2.92Å
193Y97Very high96.4Very high107 Ų10740.5 Ų40.542%0.4221%0.208SC..Hα-helixtrans-50.2-48.8-175.9-174.9-105.6000113D184 A187 R195 Y196 C197D184-Y193 HydrophobicContact CB-CE2 3.74Å; D184-Y193 WeakPolarHBondContact OD1-CE2 3.42Å; A187-Y193 HydrophobicContact CB-CD2 4.18Å; A187-Y193 PolarHBondContact O-N 3.49Å; Y193-R195 PolarHBondContact O-N 3.04Å; Y193-Y196 WeakPolarHBondContact O-CB 3.36Å; Y193-Y196 PolarHBondContact O-N 3.2Å; Y193-C197 VanDerWaalsContact CE1-SG 3.57Å; Y193-C197 PolarHBondContact O-N 3.47Å; Y193-C197 PolarHBondContact O-SG 3.49Å
194H96.8Very high96.5Very high18 Ų1844 Ų448%0.08322%0.224CC..Hα-helixtrans-63.5-39.7178.356.1-68.8000113.1G94 I95 D99 S102 G191 I192 C197 L198G94-H194 WeakPolarHBondContact O-CB 3.33Å; I95-H194 HydrophobicContact CD1-CB 4.25Å; D99-H194 IonicContact OD2-CD2 3.88Å; D99-H194 IonicContact OD2-CE1 2.94Å; D99-H194 IonicContact OD2-NE2 2.87Å; D99-H194 PolarHBondContact OD2-NE2 3.15Å; S102-H194 PolarHBondContact OG-CD2 2.8Å; S102-H194 VanDerWaalsContact OG-CD2 3.3Å; S102-H194 PolarHBondContact OG-NE2 2.97Å; G191-H194 PolarHBondContact O-CE1 3.17Å; I192-H194 VanDerWaalsContact C-N 3.32Å; I192-H194 PolarHBondContact O-N 3.1Å; H194-C197 WeakPolarHBondContact O-CB 3.27Å; H194-C197 PolarHBondContact O-N 3.3Å; H194-L198 WeakPolarHBondContact O-CG 3.37Å; H194-L198 PolarHBondContact O-N 3.18Å
195R97.4Very high96.6Very high30 Ų3042.2 Ų42.211%0.11322%0.217CC..Hα-helixtrans-66.4-40175.8-57.6179.3-175.4-163.7-6.5111.4D99 E101 S102 W136 L162 I192 Y193 L198 E199D99-R195 VanDerWaalsContact CG-NH2 3.27Å; D99-R195 IonicContact OD1-CZ 3.5Å; D99-R195 IonicContact OD1-NE 3.84Å; D99-R195 IonicContact OD1-NH2 2.61Å; D99-R195 PolarHBondContact OD1-NH2 3.43Å; D99-R195 IonicContact OD2-CZ 2.83Å; D99-R195 IonicContact OD2-NE 3.84Å; D99-R195 PolarHBondContact OD2-NE 2.98Å; D99-R195 IonicContact OD2-NH2 3.23Å; D99-R195 PolarHBondContact OD2-NH2 2.84Å; D99-R195 VanDerWaalsContact OD2-NH2 3.13Å; E101-R195 IonicContact OE2-CZ 2.61Å; E101-R195 IonicContact OE2-NH1 3.44Å; E101-R195 PolarHBondContact OE2-NH1 3.34Å; E101-R195 IonicContact OE2-NH2 4Å; E101-R195 PolarHBondContact OE2-NH2 3.5Å; S102-R195 WeakPolarHBondContact OG-CG 3.41Å; W136-R195 HydrophobicContact CE3-CB 4.36Å; W136-R195 HydrophobicContact CH2-CB 4.39Å; W136-R195 HydrophobicContact CH2-CG 3.86Å; W136-R195 HydrophobicContact CZ2-CG 4.3Å; W136-R195 HydrophobicContact CZ3-CB 4.27Å; W136-R195 HydrophobicContact CZ3-CG 4.02Å; L162-R195 HydrophobicContact CD2-CB 3.4Å; I192-R195 PolarHBondContact O-N 3.45Å; Y193-R195 PolarHBondContact O-N 3.04Å; R195-L198 WeakPolarHBondContact O-CB 3.48Å; R195-L198 PolarHBondContact O-N 2.98Å; R195-E199 PolarHBondContact O-N 2.66Å
196Y97Very high96.7Very high1 Ų135 Ų350%0.00419%0.19CC..Hα-helixtrans-61.6-44.7173168.3-105.4000111.4L163 L183 A187 I192 Y193 L198 E199 R200 L223 L224L163-Y196 HydrophobicContact CB-CD2 4.1Å; L163-Y196 HydrophobicContact CB-CE2 4.42Å; L163-Y196 HydrophobicContact CD2-CD2 4.35Å; L163-Y196 HydrophobicContact CD2-CE2 4.15Å; L183-Y196 HydrophobicContact CB-CE1 4.44Å; A187-Y196 HydrophobicContact CB-CD1 3.94Å; A187-Y196 HydrophobicContact CB-CG 3.92Å; I192-Y196 PolarHBondContact O-N 2.92Å; Y193-Y196 WeakPolarHBondContact O-CB 3.36Å; Y193-Y196 PolarHBondContact O-N 3.2Å; Y196-L198 VanDerWaalsContact C-N 3.34Å; Y196-L198 PolarHBondContact O-N 3.04Å; Y196-E199 PolarHBondContact O-N 2.88Å; Y196-R200 WeakPolarHBondContact O-CB 3.49Å; Y196-R200 PolarHBondContact O-N 3.09Å; Y196-L223 VanDerWaalsContact CE2-O 3.27Å; Y196-L223 WeakPolarHBondContact CE2-O 3.44Å; Y196-L223 PolarHBondContact OH-O 3.37Å; Y196-L224 HydrophobicContact CD2-CD2 4.08Å; Y196-L224 HydrophobicContact CE2-CD2 3.65Å
197C97.3Very high96.9Very high25 Ų2534.5 Ų34.517%0.16919%0.188CC..Hα-helixtrans-60.2-41.6173.6-66.40000112V93 Y193 H194 R200 A201V93-C197 HydrophobicContact CG1-CB 3.95Å; V93-C197 HydrophobicContact CG2-CB 3.99Å; Y193-C197 VanDerWaalsContact CE1-SG 3.57Å; Y193-C197 PolarHBondContact O-N 3.47Å; Y193-C197 PolarHBondContact O-SG 3.49Å; H194-C197 WeakPolarHBondContact O-CB 3.27Å; H194-C197 PolarHBondContact O-N 3.3Å; C197-R200 PolarHBondContact O-N 3.28Å; C197-A201 WeakPolarHBondContact O-CB 3.2Å; C197-A201 PolarHBondContact O-N 3.4Å
198L97.5Very high97Very high1 Ų134.5 Ų34.51%0.00519%0.188CC..Hα-helixtrans-62.5-46.5175.5-73.1-179000112.3L87 V93 I95 W136 V140 H194 R195 Y196 R200 A201 S202L87-L198 HydrophobicContact CD2-CD2 4.22Å; V93-L198 HydrophobicContact CB-CD2 4.31Å; V93-L198 HydrophobicContact CG1-CD2 3.79Å; V93-L198 HydrophobicContact CG1-CG 3.99Å; I95-L198 HydrophobicContact CD1-CD1 3.81Å; I95-L198 HydrophobicContact CD1-CD2 4.42Å; I95-L198 HydrophobicContact CD1-CG 4.19Å; W136-L198 HydrophobicContact CE3-CB 4.46Å; W136-L198 HydrophobicContact CE3-CD1 4.17Å; W136-L198 HydrophobicContact CZ3-CD1 4.1Å; V140-L198 HydrophobicContact CG2-CD1 3.99Å; V140-L198 HydrophobicContact CG2-CD2 3.99Å; H194-L198 WeakPolarHBondContact O-CG 3.37Å; H194-L198 PolarHBondContact O-N 3.18Å; R195-L198 WeakPolarHBondContact O-CB 3.48Å; R195-L198 PolarHBondContact O-N 2.98Å; Y196-L198 VanDerWaalsContact C-N 3.34Å; Y196-L198 PolarHBondContact O-N 3.04Å; L198-R200 PolarHBondContact O-N 2.9Å; L198-A201 PolarHBondContact O-N 3.41Å; L198-S202 WeakPolarHBondContact O-CB 3.48Å; L198-S202 PolarHBondContact O-N 2.95Å; L198-S202 PolarHBondContact O-OG 2.94Å
199E97.9Very high97.1Very high0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-57.9-50175.9-174.4179-144.100110.5W136 T158 L162 R195 Y196 S202 I203 L224W136-E199 HydrophobicContact CB-CB 3.75Å; W136-E199 HydrophobicContact CB-CG 4.16Å; T158-E199 PolarHBondContact OG1-OE1 3.33Å; L162-E199 VanDerWaalsContact CB-OE2 3.23Å; L162-E199 WeakPolarHBondContact CB-OE2 3.4Å; L162-E199 PolarHBondContact N-OE1 2.95Å; L162-E199 PolarHBondContact N-OE2 2.98Å; R195-E199 PolarHBondContact O-N 2.66Å; Y196-E199 PolarHBondContact O-N 2.88Å; E199-S202 WeakPolarHBondContact O-CB 3.32Å; E199-S202 PolarHBondContact O-N 2.74Å; E199-I203 HydrophobicContact CG-CD1 3.93Å; E199-I203 WeakPolarHBondContact O-CG1 3.35Å; E199-I203 PolarHBondContact O-N 2.94Å; E199-L224 HydrophobicContact CB-CD2 4.49Å; E199-L224 HydrophobicContact CG-CD1 4.15Å; E199-L224 HydrophobicContact CG-CD2 4.1Å
200R97.3Very high97.3Very high83 Ų8327.3 Ų27.331%0.31314%0.14SC..Hα-helixtrans-63-46.1179.8-170173173.9-169.8-6.3111.8Y196 C197 L198 S202 I203 H204 L224Y196-R200 WeakPolarHBondContact O-CB 3.49Å; Y196-R200 PolarHBondContact O-N 3.09Å; C197-R200 PolarHBondContact O-N 3.28Å; L198-R200 PolarHBondContact O-N 2.9Å; R200-S202 VanDerWaalsContact C-N 3.31Å; R200-S202 PolarHBondContact O-N 3.31Å; R200-I203 PolarHBondContact O-N 3.13Å; R200-H204 WeakPolarHBondContact O-CB 3.43Å; R200-H204 PolarHBondContact O-CD2 3.39Å; R200-H204 VanDerWaalsContact O-CD2 3.23Å; R200-H204 PolarHBondContact O-N 3.1Å; R200-L224 HydrophobicContact CB-CD2 4.14Å
201A97.3Very high97.5Very high20 Ų2023.8 Ų23.817%0.16513%0.127CC..Hα-helixtrans-59.2-42.1176.400000111.6V143 C197 L198 H204 S205V143-A201 HydrophobicContact CG2-CB 3.95Å; C197-A201 WeakPolarHBondContact O-CB 3.2Å; C197-A201 PolarHBondContact O-N 3.4Å; L198-A201 PolarHBondContact O-N 3.41Å; A201-H204 PolarHBondContact O-N 2.8Å; A201-S205 WeakPolarHBondContact O-CB 3.34Å; A201-S205 PolarHBondContact O-N 3.43Å; A201-S205 PolarHBondContact O-OG 3.49Å
202S97.9Very high97.6Very high0 Ų021.2 Ų21.20%010%0.101CC..Hα-helixtrans-63.7-46.2178.3-55.60000111.6G139 L142 L198 E199 R200 S205 A206G139-S202 WeakPolarHBondContact CA-OG 3.48Å; G139-S202 PolarHBondContact O-OG 2.84Å; L142-S202 WeakPolarHBondContact CD2-O 3.38Å; L198-S202 WeakPolarHBondContact O-CB 3.48Å; L198-S202 PolarHBondContact O-N 2.95Å; L198-S202 PolarHBondContact O-OG 2.94Å; E199-S202 WeakPolarHBondContact O-CB 3.32Å; E199-S202 PolarHBondContact O-N 2.74Å; R200-S202 VanDerWaalsContact C-N 3.31Å; R200-S202 PolarHBondContact O-N 3.31Å; S202-S205 PolarHBondContact O-N 3.32Å; S202-A206 PolarHBondContact O-N 3.27Å; S202-A206 VanDerWaalsContact O-N 3.1Å
203I97.8Very high97.7Very high0 Ų021.2 Ų21.20%010%0.101CC..Hα-helixtrans-63.1-46.9178.2-73.5171.4000111.2F156 E199 R200 A206 F209 L224 R226F156-I203 HydrophobicContact CD1-CD1 4.35Å; F156-I203 HydrophobicContact CD1-CG1 3.42Å; F156-I203 VanDerWaalsContact CD1-CG1 3.42Å; F156-I203 HydrophobicContact CE1-CD1 3.9Å; F156-I203 HydrophobicContact CE1-CG1 3.32Å; F156-I203 HydrophobicContact CG-CG1 4.4Å; F156-I203 HydrophobicContact CZ-CG1 4.26Å; E199-I203 HydrophobicContact CG-CD1 3.93Å; E199-I203 WeakPolarHBondContact O-CG1 3.35Å; E199-I203 PolarHBondContact O-N 2.94Å; R200-I203 PolarHBondContact O-N 3.13Å; I203-A206 PolarHBondContact O-N 3.42Å; I203-F209 HydrophobicContact CB-CD2 4.32Å; I203-F209 HydrophobicContact CB-CE2 4.38Å; I203-F209 HydrophobicContact CD1-CD2 4.44Å; I203-F209 HydrophobicContact CD1-CE2 3.69Å; I203-F209 HydrophobicContact CD1-CZ 3.84Å; I203-F209 HydrophobicContact CG1-CD2 3.86Å; I203-F209 HydrophobicContact CG1-CE2 3.58Å; I203-F209 HydrophobicContact CG1-CZ 4.15Å; I203-F209 HydrophobicContact CG2-CB 4.5Å; I203-F209 HydrophobicContact CG2-CD1 3.82Å; I203-F209 HydrophobicContact CG2-CD2 3.86Å; I203-F209 HydrophobicContact CG2-CE1 3.96Å; I203-F209 HydrophobicContact CG2-CE2 3.99Å; I203-F209 HydrophobicContact CG2-CG 3.79Å; I203-F209 HydrophobicContact CG2-CZ 4.04Å; I203-L224 HydrophobicContact CD1-CB 4.08Å; I203-L224 HydrophobicContact CD1-CD1 3.28Å; I203-L224 HydrophobicContact CD1-CD2 4.41Å; I203-L224 HydrophobicContact CD1-CG 4.08Å; I203-R226 HydrophobicContact CG2-CB 3.77Å; I203-R226 HydrophobicContact CG2-CG 4.12Å; I203-R226 WeakPolarHBondContact O-CD 3.36Å; I203-R226 PolarHBondContact O-NH1 3.43Å
204H97.9Very high97.6Very high87 Ų8720.5 Ų20.540%0.40310%0.101SC..Hα-helixtrans-71.6-29.4-179.7-80.7-85.6000113R200 A201 L224 K225 R226R200-H204 WeakPolarHBondContact O-CB 3.43Å; R200-H204 PolarHBondContact O-CD2 3.39Å; R200-H204 VanDerWaalsContact O-CD2 3.23Å; R200-H204 PolarHBondContact O-N 3.1Å; A201-H204 PolarHBondContact O-N 2.8Å; H204-L224 PolarHBondContact NE2-O 3.47Å; H204-K225 PolarHBondContact CE1-O 3.42Å; H204-K225 VanDerWaalsContact CE1-O 3.31Å; H204-R226 PolarHBondContact O-NH1 2.87Å
205S97.4Very high97.5Very high33 Ų3320.2 Ų20.223%0.23110%0.1CC..Hα-helixtrans-77.5-22.2177.5-59.70000113.2R146 A201 S202R146-S205 WeakPolarHBondContact CD-O 3.38Å; R146-S205 WeakPolarHBondContact CG-O 3.36Å; R146-S205 PolarHBondContact NE-O 2.89Å; R146-S205 VanDerWaalsContact NE-O 3.11Å; A201-S205 WeakPolarHBondContact O-CB 3.34Å; A201-S205 PolarHBondContact O-N 3.43Å; A201-S205 PolarHBondContact O-OG 3.49Å; S202-S205 PolarHBondContact O-N 3.32Å
206A98.4Very high97.5Very high4 Ų418.8 Ų18.83%0.03310%0.095CC..  trans-66.2136.6-176.900000112.3L142 F156 S202 I203 V208 R226L142-A206 HydrophobicContact CD1-CB 3.81Å; L142-A206 HydrophobicContact CD2-CB 4.33Å; F156-A206 HydrophobicContact CB-CB 3.71Å; S202-A206 PolarHBondContact O-N 3.27Å; S202-A206 VanDerWaalsContact O-N 3.1Å; I203-A206 PolarHBondContact O-N 3.42Å; A206-V208 VanDerWaalsContact C-N 3.28Å; A206-V208 PolarHBondContact O-N 2.83Å; A206-R226 PolarHBondContact O-NH1 3.41Å; A206-R226 PolarHBondContact O-NH2 3.3Å
207H98.5Very high97.5Very high32 Ų3219 Ų1915%0.14810%0.097CC..SBendtrans-65.2-37.3172-63.5103.8000111.3R146 I152 T154 R573 T574R146-H207 VanDerWaalsContact CZ-NE2 3.25Å; R146-H207 PolarHBondContact NH1-CE1 3.04Å; R146-H207 VanDerWaalsContact NH1-CE1 3.28Å; R146-H207 PolarHBondContact NH1-NE2 3.01Å; I152-H207 PolarHBondContact O-CE1 3.31Å; T154-H207 PolarHBondContact N-ND1 2.83Å; T154-H207 WeakPolarHBondContact O-CB 3.48Å; T154-H207 PolarHBondContact O-N 3.09Å; T154-H207 PolarHBondContact OG1-N 3.04Å; T154-H207 VanDerWaalsContact OG1-N 3.1Å; T154-H207 PolarHBondContact OG1-ND1 3.27Å; H207-R573 WeakPolarHBondContact O-CD 3.49Å; H207-R573 PolarHBondContact O-NH1 3.32Å; H207-T574 HydrophobicContact CB-CG2 4.24Å; H207-T574 WeakPolarHBondContact CD2-CG2 3.48Å; H207-T574 WeakPolarHBondContact NE2-CG2 3.37Å
208V98.7Very high97.4Very high0 Ų020.5 Ų20.50%011%0.106CC..EExtended strand (participates in β ladder)trans-130.8122.6173.7171.50000109.2T154 V155 F156 A206 T210 D229 V230 A566 L569 A570T154-V208 PolarHBondContact O-N 3.2Å; T154-V208 VanDerWaalsContact O-N 3.09Å; V155-V208 VanDerWaalsContact CA-O 3.31Å; V155-V208 WeakPolarHBondContact CA-O 3.21Å; V155-V208 HydrophobicContact CG1-CG1 4.32Å; V155-V208 HydrophobicContact CG2-CB 4.33Å; F156-V208 PolarHBondContact N-O 3.44Å; A206-V208 VanDerWaalsContact C-N 3.28Å; A206-V208 PolarHBondContact O-N 2.83Å; V208-T210 HydrophobicContact CG1-CG2 3.9Å; V208-D229 WeakPolarHBondContact CA-OD2 3.26Å; V208-D229 HydrophobicContact CG1-CB 4.02Å; V208-V230 HydrophobicContact CG1-CG2 4.48Å; V208-A566 HydrophobicContact CG1-CB 4.17Å; V208-L569 HydrophobicContact CG1-CD2 4.28Å; V208-L569 HydrophobicContact CG2-CB 3.97Å; V208-L569 HydrophobicContact CG2-CD2 3.93Å; V208-L569 HydrophobicContact CG2-CG 3.72Å; V208-A570 HydrophobicContact CB-CB 4.25Å; V208-A570 HydrophobicContact CG2-CB 3.77Å
209F98.7Very high97.4Very high0 Ų020.5 Ų20.50%011%0.105CC..EExtended strand (participates in β ladder)trans-100136174.1172.3-131.8000110.1F156 T158 I203 T211 A220 R226 P228 D229 V230F156-F209 AromaticContact CD1-CD2 3.92Å; F156-F209 HydrophobicContact CD1-CD2 3.92Å; F156-F209 AromaticContact CD1-CE2 3.97Å; F156-F209 HydrophobicContact CD1-CE2 3.97Å; F156-F209 HydrophobicContact CE1-CE2 4.45Å; T158-F209 HydrophobicContact CG2-CE2 3.69Å; T158-F209 HydrophobicContact CG2-CZ 3.72Å; I203-F209 HydrophobicContact CB-CD2 4.32Å; I203-F209 HydrophobicContact CB-CE2 4.38Å; I203-F209 HydrophobicContact CD1-CD2 4.44Å; I203-F209 HydrophobicContact CD1-CE2 3.69Å; I203-F209 HydrophobicContact CD1-CZ 3.84Å; I203-F209 HydrophobicContact CG1-CD2 3.86Å; I203-F209 HydrophobicContact CG1-CE2 3.58Å; I203-F209 HydrophobicContact CG1-CZ 4.15Å; I203-F209 HydrophobicContact CG2-CB 4.5Å; I203-F209 HydrophobicContact CG2-CD1 3.82Å; I203-F209 HydrophobicContact CG2-CD2 3.86Å; I203-F209 HydrophobicContact CG2-CE1 3.96Å; I203-F209 HydrophobicContact CG2-CE2 3.99Å; I203-F209 HydrophobicContact CG2-CG 3.79Å; I203-F209 HydrophobicContact CG2-CZ 4.04Å; F209-T211 HydrophobicContact CE1-CG2 4.01Å; F209-T211 HydrophobicContact CE2-CG2 4.09Å; F209-T211 HydrophobicContact CZ-CG2 3.48Å; F209-T211 VanDerWaalsContact CZ-CG2 3.48Å; F209-A220 HydrophobicContact CE1-CB 3.71Å; F209-A220 HydrophobicContact CZ-CB 3.65Å; F209-R226 HydrophobicContact CD1-CB 4.37Å; F209-R226 HydrophobicContact CD1-CG 3.93Å; F209-R226 WeakPolarHBondContact CE1-O 3.38Å; F209-P228 VanDerWaalsContact CD1-CA 3.46Å; F209-P228 HydrophobicContact CD1-CB 4.1Å; F209-P228 HydrophobicContact CE1-CB 4.11Å; F209-D229 PolarHBondContact N-OD2 3.35Å; F209-D229 WeakPolarHBondContact O-CB 3.44Å; F209-D229 PolarHBondContact O-N 3.49Å; F209-V230 PolarHBondContact O-N 3.13Å
210T98.5Very high97.4Very high0 Ų020.5 Ų20.50%011%0.105CC..EExtended strand (participates in β ladder)trans-133.9152.3-178.463.70000111.4V155 F156 T157 T158 V208 V230 T232 A566V155-T210 HydrophobicContact CG1-CG2 4.01Å; F156-T210 PolarHBondContact O-N 3.01Å; F156-T210 PolarHBondContact O-OG1 3.19Å; T157-T210 WeakPolarHBondContact CA-O 3.48Å; T157-T210 VanDerWaalsContact CA-OG1 3.31Å; T157-T210 WeakPolarHBondContact CA-OG1 3.33Å; T157-T210 WeakPolarHBondContact CB-OG1 3.41Å; T157-T210 PolarHBondContact OG1-OG1 3.13Å; T158-T210 PolarHBondContact N-O 3.26Å; V208-T210 HydrophobicContact CG1-CG2 3.9Å; T210-V230 WeakPolarHBondContact CA-O 3.5Å; T210-V230 VanDerWaalsContact CB-O 3.26Å; T210-V230 WeakPolarHBondContact CB-O 3.37Å; T210-V230 HydrophobicContact CG2-CB 3.99Å; T210-T232 HydrophobicContact CG2-CG2 4.17Å; T210-A566 HydrophobicContact CG2-CB 3.85Å
211T98.2Very high97.4Very high0 Ų020.3 Ų20.30%011%0.11CC..EExtended strand (participates in β ladder)trans-132.2156.7173.1590000109.5T158 F209 S213 T216 A220 P228 V230 I231 T232T158-T211 HydrophobicContact CG2-CG2 3.61Å; T158-T211 WeakPolarHBondContact O-CA 3.5Å; F209-T211 HydrophobicContact CE1-CG2 4.01Å; F209-T211 HydrophobicContact CE2-CG2 4.09Å; F209-T211 HydrophobicContact CZ-CG2 3.48Å; F209-T211 VanDerWaalsContact CZ-CG2 3.48Å; T211-S213 PolarHBondContact O-N 3.01Å; T211-S213 PolarHBondContact OG1-O 3.2Å; T211-S213 VanDerWaalsContact OG1-O 3.1Å; T211-T216 HydrophobicContact CG2-CG2 4.15Å; T211-A220 HydrophobicContact CG2-CB 4.18Å; T211-P228 HydrophobicContact CG2-CB 3.96Å; T211-P228 HydrophobicContact CG2-CG 4.13Å; T211-V230 PolarHBondContact N-O 3.29Å; T211-I231 CarbonylContact O-C 3.42Å; T211-I231 WeakPolarHBondContact O-CA 3.48Å; T211-I231 WeakPolarHBondContact OG1-CD1 3.35Å; T211-T232 PolarHBondContact O-N 3.13Å; T211-T232 PolarHBondContact O-OG1 3.12Å
212V96.8Very high97.3Very high1 Ų121.9 Ų21.91%0.00611%0.114CC..SBendtrans-73-13.7-178.2-64.90000114.3T157 H159 T232 P233 P469 W470T157-V212 HydrophobicContact CG2-CG1 4.18Å; H159-V212 HydrophobicContact CB-CG1 4.11Å; H159-V212 WeakPolarHBondContact ND1-CG1 3.39Å; H159-V212 WeakPolarHBondContact O-CG2 3.23Å; V212-T232 WeakPolarHBondContact CA-O 3.27Å; V212-P233 WeakPolarHBondContact O-CA 3.22Å; V212-P469 HydrophobicContact CG2-CB 4.21Å; V212-W470 VanDerWaalsContact O-CE3 3.3Å
213S96.7Very high97.3Very high3 Ų321.9 Ų21.92%0.02111%0.114CC..SBendtrans-160.3161.7-179.663.50000112.2T211 I215 T216 G217 P469T211-S213 PolarHBondContact O-N 3.01Å; T211-S213 PolarHBondContact OG1-O 3.2Å; T211-S213 VanDerWaalsContact OG1-O 3.1Å; S213-I215 VanDerWaalsContact C-N 3.3Å; S213-I215 PolarHBondContact O-N 3.26Å; S213-I215 VanDerWaalsContact OG-CG2 3.31Å; S213-I215 WeakPolarHBondContact OG-CG2 3.39Å; S213-T216 PolarHBondContact O-N 2.9Å; S213-T216 PolarHBondContact OG-N 2.82Å; S213-T216 PolarHBondContact OG-OG1 2.89Å; S213-G217 PolarHBondContact O-N 3.39Å; S213-P469 WeakPolarHBondContact CB-O 3.37Å; S213-P469 PolarHBondContact OG-O 3.37Å
214Q94.6Very high97.3Very high92 Ų9221.9 Ų21.943%0.4311%0.114SC..Hα-helixtrans-59-40.7175.1-67-66-0.900112.3T216 G217 V218 I231Q214-T216 PolarHBondContact O-N 3.04Å; Q214-G217 CarbonylContact O-C 3.36Å; Q214-G217 VanDerWaalsContact O-CA 3.31Å; Q214-G217 WeakPolarHBondContact O-CA 3.44Å; Q214-G217 PolarHBondContact O-N 3.32Å; Q214-V218 WeakPolarHBondContact O-CG2 3.18Å; Q214-V218 PolarHBondContact O-N 2.92Å; Q214-I231 HydrophobicContact CG-CG1 4.32Å
215I95.6Very high97.2Very high12 Ų1222.7 Ų22.76%0.06212%0.116CC..Hα-helixtrans-64-41.2179.7-168.462.4000111.7Y175 S213 G217 V218 E219 L489Y175-I215 HydrophobicContact CD1-CD1 3.94Å; Y175-I215 HydrophobicContact CE1-CD1 3.47Å; Y175-I215 VanDerWaalsContact CE1-CD1 3.47Å; Y175-I215 HydrophobicContact CE1-CG1 3.59Å; S213-I215 VanDerWaalsContact C-N 3.3Å; S213-I215 PolarHBondContact O-N 3.26Å; S213-I215 VanDerWaalsContact OG-CG2 3.31Å; S213-I215 WeakPolarHBondContact OG-CG2 3.39Å; I215-G217 VanDerWaalsContact C-N 3.25Å; I215-G217 PolarHBondContact O-N 3.47Å; I215-V218 WeakPolarHBondContact O-CB 3.49Å; I215-V218 PolarHBondContact O-N 3.2Å; I215-V218 VanDerWaalsContact O-N 3.13Å; I215-E219 PolarHBondContact O-N 2.95Å; I215-L489 HydrophobicContact CD1-CD2 4.03Å
216T96.9Very high97.2Very high0 Ų023.1 Ų23.10%011%0.113CC..Hα-helixtrans-63.9-34.5171.9-48.20000111T158 T211 S213 Q214 E219 A220 P469T158-T216 HydrophobicContact CG2-CG2 4.31Å; T211-T216 HydrophobicContact CG2-CG2 4.15Å; S213-T216 PolarHBondContact O-N 2.9Å; S213-T216 PolarHBondContact OG-N 2.82Å; S213-T216 PolarHBondContact OG-OG1 2.89Å; Q214-T216 PolarHBondContact O-N 3.04Å; T216-E219 WeakPolarHBondContact O-CB 3.44Å; T216-E219 PolarHBondContact O-N 2.94Å; T216-A220 WeakPolarHBondContact O-CB 3.39Å; T216-A220 PolarHBondContact O-N 2.83Å; T216-P469 PolarHBondContact OG1-O 2.8Å
217G97.3Very high97.2Very high5 Ų530 Ų305%0.05214%0.142CC..Hα-helixtrans-63-38.5172.500000113.7S213 Q214 I215 A220 L221S213-G217 PolarHBondContact O-N 3.39Å; Q214-G217 CarbonylContact O-C 3.36Å; Q214-G217 VanDerWaalsContact O-CA 3.31Å; Q214-G217 WeakPolarHBondContact O-CA 3.44Å; Q214-G217 PolarHBondContact O-N 3.32Å; I215-G217 VanDerWaalsContact C-N 3.25Å; I215-G217 PolarHBondContact O-N 3.47Å; G217-A220 PolarHBondContact O-N 3.47Å; G217-L221 PolarHBondContact O-N 2.94Å
218V96.4Very high97.2Very high58 Ų5829.2 Ų29.235%0.35214%0.14SC..Hα-helixtrans-65.5-44.2173.5174.50000110.4L178 Q214 I215 L221 H222L178-V218 HydrophobicContact CD1-CG1 3.88Å; Q214-V218 WeakPolarHBondContact O-CG2 3.18Å; Q214-V218 PolarHBondContact O-N 2.92Å; I215-V218 WeakPolarHBondContact O-CB 3.49Å; I215-V218 PolarHBondContact O-N 3.2Å; I215-V218 VanDerWaalsContact O-N 3.13Å; V218-L221 PolarHBondContact O-N 3.47Å; V218-H222 PolarHBondContact O-N 3.44Å; V218-H222 PolarHBondContact O-ND1 3.38Å
219E96.3Very high97.1Very high0 Ų031.8 Ų31.80%015%0.154CC..Hα-helixtrans-58.4-49.6172.9-67.7176.3-148.500111.4T161 F174 Y175 I215 T216 L221 H222 L223 Y467T161-E219 HydrophobicContact CG2-CB 3.68Å; T161-E219 PolarHBondContact OG1-OE2 3.36Å; F174-E219 HydrophobicContact CE1-CG 3.83Å; F174-E219 HydrophobicContact CZ-CG 3.9Å; Y175-E219 HydrophobicContact CE1-CG 4.22Å; Y175-E219 PolarHBondContact OH-OE1 3.31Å; I215-E219 PolarHBondContact O-N 2.95Å; T216-E219 WeakPolarHBondContact O-CB 3.44Å; T216-E219 PolarHBondContact O-N 2.94Å; E219-L221 VanDerWaalsContact C-N 3.28Å; E219-L221 PolarHBondContact O-N 3.14Å; E219-H222 PolarHBondContact O-N 3.19Å; E219-L223 HydrophobicContact CB-CD1 4.4Å; E219-L223 WeakPolarHBondContact O-CB 3.33Å; E219-L223 WeakPolarHBondContact O-CG 3.09Å; E219-L223 PolarHBondContact O-N 3.02Å; E219-Y467 VanDerWaalsContact OE1-CE2 3.28Å; E219-Y467 WeakPolarHBondContact OE1-CE2 3.37Å
220A97.4Very high97.1Very high0 Ų032.3 Ų32.30%016%0.157CC..Hα-helixtrans-61.3-36.3-178.800000112.4T161 F209 T211 T216 G217 H222 L224 K225 R226T161-A220 HydrophobicContact CG2-CB 4.29Å; F209-A220 HydrophobicContact CE1-CB 3.71Å; F209-A220 HydrophobicContact CZ-CB 3.65Å; T211-A220 HydrophobicContact CG2-CB 4.18Å; T216-A220 WeakPolarHBondContact O-CB 3.39Å; T216-A220 PolarHBondContact O-N 2.83Å; G217-A220 PolarHBondContact O-N 3.47Å; A220-H222 VanDerWaalsContact C-N 3.34Å; A220-H222 PolarHBondContact O-N 3.17Å; A220-L224 HydrophobicContact CB-CD1 4.32Å; A220-L224 CarbonylContact O-C 3.31Å; A220-L224 VanDerWaalsContact O-C 3.31Å; A220-L224 VanDerWaalsContact O-CA 3.26Å; A220-L224 WeakPolarHBondContact O-CA 3.14Å; A220-L224 VanDerWaalsContact O-CB 3.31Å; A220-L224 WeakPolarHBondContact O-CB 3.43Å; A220-L224 PolarHBondContact O-N 3.16Å; A220-K225 PolarHBondContact O-N 2.92Å; A220-R226 CarbonylContact C-O 3.5Å; A220-R226 PolarHBondContact O-N 3.11Å
221L97.4Very high97Very high79 Ų7933.5 Ų33.541%0.41416%0.163SC..Hα-helixtrans-60.4-43.3173.8176.760.2000111.8G217 V218 E219 K225 R226 K227G217-L221 PolarHBondContact O-N 2.94Å; V218-L221 PolarHBondContact O-N 3.47Å; E219-L221 VanDerWaalsContact C-N 3.28Å; E219-L221 PolarHBondContact O-N 3.14Å; L221-K225 VanDerWaalsContact O-CA 3.24Å; L221-K225 WeakPolarHBondContact O-CA 3.42Å; L221-K225 PolarHBondContact O-N 3.08Å; L221-R226 PolarHBondContact N-O 3.19Å; L221-K227 HydrophobicContact CD1-CB 4.26Å
222H96.9Very high96.9Very high54 Ų5433.5 Ų33.525%0.2516%0.163CC..Hα-helixtrans-83.7-43.9-175.7-67.482.7000112.8L178 L183 V218 E219 A220 K225L178-H222 HydrophobicContact CB-CB 3.93Å; L183-H222 WeakPolarHBondContact CD1-O 3.21Å; V218-H222 PolarHBondContact O-N 3.44Å; V218-H222 PolarHBondContact O-ND1 3.38Å; E219-H222 PolarHBondContact O-N 3.19Å; A220-H222 VanDerWaalsContact C-N 3.34Å; A220-H222 PolarHBondContact O-N 3.17Å; H222-K225 WeakPolarHBondContact O-CD 3.45Å; H222-K225 VanDerWaalsContact O-CE 3.31Å; H222-K225 WeakPolarHBondContact O-CE 3.41Å; H222-K225 PolarHBondContact O-NZ 3.09Å
223L96.9Very high96.8Very high0 Ų033.6 Ų33.60%016%0.164CC..Hα-helixtrans-89.7-28.6-173.3-55.4-176.5000113.3T161 L167 F174 L178 L183 Y196 E219T161-L223 WeakPolarHBondContact OG1-CD1 3.43Å; L167-L223 HydrophobicContact CD1-CD2 4.32Å; F174-L223 HydrophobicContact CE2-CD1 3.89Å; F174-L223 HydrophobicContact CZ-CD1 3.8Å; L178-L223 HydrophobicContact CD2-CD2 4.39Å; L178-L223 HydrophobicContact CD2-CG 4.49Å; L183-L223 WeakPolarHBondContact CD1-O 3.43Å; L183-L223 HydrophobicContact CD2-CB 4.47Å; L183-L223 HydrophobicContact CD2-CD2 3.57Å; Y196-L223 VanDerWaalsContact CE2-O 3.27Å; Y196-L223 WeakPolarHBondContact CE2-O 3.44Å; Y196-L223 PolarHBondContact OH-O 3.37Å; E219-L223 HydrophobicContact CB-CD1 4.4Å; E219-L223 WeakPolarHBondContact O-CB 3.33Å; E219-L223 WeakPolarHBondContact O-CG 3.09Å; E219-L223 PolarHBondContact O-N 3.02Å
224L97.1Very high96.6Very high0 Ų033.9 Ų33.90%017%0.165CC..SBendtrans-116.4-1.7-176.6-58.7163.2000111.7T161 Y196 E199 R200 I203 H204 A220 R226T161-L224 HydrophobicContact CG2-CD1 3.69Å; Y196-L224 HydrophobicContact CD2-CD2 4.08Å; Y196-L224 HydrophobicContact CE2-CD2 3.65Å; E199-L224 HydrophobicContact CB-CD2 4.49Å; E199-L224 HydrophobicContact CG-CD1 4.15Å; E199-L224 HydrophobicContact CG-CD2 4.1Å; R200-L224 HydrophobicContact CB-CD2 4.14Å; I203-L224 HydrophobicContact CD1-CB 4.08Å; I203-L224 HydrophobicContact CD1-CD1 3.28Å; I203-L224 HydrophobicContact CD1-CD2 4.41Å; I203-L224 HydrophobicContact CD1-CG 4.08Å; H204-L224 PolarHBondContact NE2-O 3.47Å; A220-L224 HydrophobicContact CB-CD1 4.32Å; A220-L224 CarbonylContact O-C 3.31Å; A220-L224 VanDerWaalsContact O-C 3.31Å; A220-L224 VanDerWaalsContact O-CA 3.26Å; A220-L224 WeakPolarHBondContact O-CA 3.14Å; A220-L224 VanDerWaalsContact O-CB 3.31Å; A220-L224 WeakPolarHBondContact O-CB 3.43Å; A220-L224 PolarHBondContact O-N 3.16Å; L224-R226 PolarHBondContact O-N 3.43Å
225K96.6Very high96.5Very high103 Ų10329.5 Ų29.545%0.44815%0.145SC..SBendtrans57.830.6176.3-52.2-55.2-172.4-162.70113.7L183 H204 A220 L221 H222L183-K225 HydrophobicContact CD1-CD 4.39Å; L183-K225 VanDerWaalsContact CD1-CE 3.47Å; H204-K225 PolarHBondContact CE1-O 3.42Å; H204-K225 VanDerWaalsContact CE1-O 3.31Å; A220-K225 PolarHBondContact O-N 2.92Å; L221-K225 VanDerWaalsContact O-CA 3.24Å; L221-K225 WeakPolarHBondContact O-CA 3.42Å; L221-K225 PolarHBondContact O-N 3.08Å; H222-K225 WeakPolarHBondContact O-CD 3.45Å; H222-K225 VanDerWaalsContact O-CE 3.31Å; H222-K225 WeakPolarHBondContact O-CE 3.41Å; H222-K225 PolarHBondContact O-NZ 3.09Å
226R97.7Very high96.2Very high42 Ų4230.3 Ų30.316%0.15815%0.149CC..  trans-144127.8173.3-174.1172.5170167.4-2.1110.5I203 H204 A206 F209 A220 L221 L224 D229I203-R226 HydrophobicContact CG2-CB 3.77Å; I203-R226 HydrophobicContact CG2-CG 4.12Å; I203-R226 WeakPolarHBondContact O-CD 3.36Å; I203-R226 PolarHBondContact O-NH1 3.43Å; H204-R226 PolarHBondContact O-NH1 2.87Å; A206-R226 PolarHBondContact O-NH1 3.41Å; A206-R226 PolarHBondContact O-NH2 3.3Å; F209-R226 HydrophobicContact CD1-CB 4.37Å; F209-R226 HydrophobicContact CD1-CG 3.93Å; F209-R226 WeakPolarHBondContact CE1-O 3.38Å; A220-R226 CarbonylContact C-O 3.5Å; A220-R226 PolarHBondContact O-N 3.11Å; L221-R226 PolarHBondContact N-O 3.19Å; L224-R226 PolarHBondContact O-N 3.43Å; R226-D229 IonicContact CZ-OD2 2.7Å; R226-D229 IonicContact NH2-OD2 2.93Å; R226-D229 PolarHBondContact NH2-OD2 2.85Å
227K97.8Very high95.6Very high149 Ų14934 Ų3465%0.64817%0.168SC*.  trans-74.4138.4170.8-171.4179.5176.1178.20109.5L221L221-K227 HydrophobicContact CD1-CB 4.26Å
228P98.1Very high94.8Very high15 Ų1534.6 Ų34.610%0.09717%0.171CC..  trans-61.6140.917126.7-35.4000111.6F209 T211 I231F209-P228 VanDerWaalsContact CD1-CA 3.46Å; F209-P228 HydrophobicContact CD1-CB 4.1Å; F209-P228 HydrophobicContact CE1-CB 4.11Å; T211-P228 HydrophobicContact CG2-CB 3.96Å; T211-P228 HydrophobicContact CG2-CG 4.13Å; P228-I231 HydrophobicContact CB-CD1 4.14Å; P228-I231 HydrophobicContact CG-CD1 3.7Å
229D98.3Very high93.6Very high55 Ų5537.4 Ų37.429%0.29419%0.188SC..SBendtrans-75.9-37173.3-64.7-74.5000111.2V208 F209 R226 L569 R573V208-D229 WeakPolarHBondContact CA-OD2 3.26Å; V208-D229 HydrophobicContact CG1-CB 4.02Å; F209-D229 PolarHBondContact N-OD2 3.35Å; F209-D229 WeakPolarHBondContact O-CB 3.44Å; F209-D229 PolarHBondContact O-N 3.49Å; R226-D229 IonicContact CZ-OD2 2.7Å; R226-D229 IonicContact NH2-OD2 2.93Å; R226-D229 PolarHBondContact NH2-OD2 2.85Å; D229-L569 HydrophobicContact CB-CD2 4.06Å; D229-R573 IonicContact OD1-CZ 3.96Å; D229-R573 VanDerWaalsContact OD1-CZ 3.24Å; D229-R573 IonicContact OD1-NH1 3.44Å; D229-R573 PolarHBondContact OD1-NH1 3.11Å; D229-R573 IonicContact OD1-NH2 2.77Å; D229-R573 PolarHBondContact OD1-NH2 2.99Å; D229-R573 IonicContact OD2-NH1 2.97Å; D229-R573 PolarHBondContact OD2-NH1 3.46Å
230V97.5Very high91.9Very high10 Ų1043.5 Ų43.56%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-140.4140.2179.3-178.10000109.6V208 F209 T210 T211 T232 A566 L569V208-V230 HydrophobicContact CG1-CG2 4.48Å; F209-V230 PolarHBondContact O-N 3.13Å; T210-V230 WeakPolarHBondContact CA-O 3.5Å; T210-V230 VanDerWaalsContact CB-O 3.26Å; T210-V230 WeakPolarHBondContact CB-O 3.37Å; T210-V230 HydrophobicContact CG2-CB 3.99Å; T211-V230 PolarHBondContact N-O 3.29Å; V230-T232 HydrophobicContact CG1-CG2 4.42Å; V230-A566 HydrophobicContact CB-CB 4.34Å; V230-A566 HydrophobicContact CG1-CB 4.43Å; V230-A566 HydrophobicContact CG2-CB 4.41Å; V230-L569 HydrophobicContact CG2-CD2 3.88Å
231I96.9Very high90Very high26 Ų2647.4 Ų47.413%0.13323%0.232CC..EExtended strand (participates in β ladder)trans-89.3131.5167.6-56.2-55.3000108.4T211 Q214 P228 P233 Y562T211-I231 CarbonylContact O-C 3.42Å; T211-I231 WeakPolarHBondContact O-CA 3.48Å; T211-I231 WeakPolarHBondContact OG1-CD1 3.35Å; Q214-I231 HydrophobicContact CG-CG1 4.32Å; P228-I231 HydrophobicContact CB-CD1 4.14Å; P228-I231 HydrophobicContact CG-CD1 3.7Å; I231-P233 HydrophobicContact CG2-CG 4.29Å; I231-P233 WeakPolarHBondContact O-CD 3.35Å; I231-Y562 WeakPolarHBondContact O-CB 3.24Å; I231-Y562 WeakPolarHBondContact O-CD1 3.45Å
232T95.8Very high87.8Confident0 Ų048.7 Ų48.70%025%0.254CS..  trans-117.481178.751.70000110.2T210 T211 V212 V230 Y563T210-T232 HydrophobicContact CG2-CG2 4.17Å; T211-T232 PolarHBondContact O-N 3.13Å; T211-T232 PolarHBondContact O-OG1 3.12Å; V212-T232 WeakPolarHBondContact CA-O 3.27Å; V230-T232 HydrophobicContact CG1-CG2 4.42Å; T232-Y563 HydrophobicContact CG2-CD1 4.41Å; T232-Y563 HydrophobicContact CG2-CD2 4.13Å; T232-Y563 HydrophobicContact CG2-CE1 4.4Å; T232-Y563 HydrophobicContact CG2-CE2 4.13Å; T232-Y563 HydrophobicContact CG2-CG 4.28Å
233P95.1Very high85.8Confident3 Ų347.3 Ų47.32%0.01925%0.252CS..PPolyproline II helixtrans-53.1147.6179.3-25.235.6000112.3V212 I231 W470 F495 L559 Y562V212-P233 WeakPolarHBondContact O-CA 3.22Å; I231-P233 HydrophobicContact CG2-CG 4.29Å; I231-P233 WeakPolarHBondContact O-CD 3.35Å; P233-W470 HydrophobicContact CB-CH2 3.51Å; P233-W470 HydrophobicContact CB-CZ2 4.35Å; P233-W470 HydrophobicContact CB-CZ3 3.64Å; P233-F495 HydrophobicContact CB-CD2 4.15Å; P233-F495 HydrophobicContact CB-CE2 4.22Å; P233-F495 HydrophobicContact CG-CD2 3.79Å; P233-F495 HydrophobicContact CG-CE2 3.82Å; P233-L559 HydrophobicContact CB-CD1 4.16Å; P233-L559 HydrophobicContact CB-CD2 4.06Å; P233-L559 HydrophobicContact CG-CD2 4.34Å; P233-Y562 HydrophobicContact CG-CD2 4.1Å; P233-Y562 HydrophobicContact CG-CE2 4.12Å
234N92.5Very high84.2Confident9 Ų952.5 Ų52.55%0.04828%0.279CS..PPolyproline II helixtrans-87.3118.5175.6-69.9-44.2000110.6W470 Y472N234-W470 HydrophobicContact CB-CD2 3.91Å; N234-W470 HydrophobicContact CB-CG 3.84Å; N234-W470 WeakPolarHBondContact O-CZ2 3.4Å; N234-W470 PolarHBondContact O-NE1 3.29Å; N234-W470 VanDerWaalsContact O-NE1 3.12Å; N234-Y472 HydrophobicContact CB-CE1 3.85Å; N234-Y472 WeakPolarHBondContact CB-OH 3.35Å; N234-Y472 VanDerWaalsContact CG-OH 3.24Å; N234-Y472 PolarHBondContact ND2-OH 3.03Å
235G91.2Very high82.8Confident0 Ų058.4 Ų58.40%031%0.306CS..PPolyproline II helixtrans-85.8172.7173.800000115L554 W556 L559G235-L554 CarbonylContact C-O 3.58Å; G235-L554 WeakPolarHBondContact CA-O 3.35Å; G235-W556 VanDerWaalsContact C-CE2 3.47Å; G235-W556 VanDerWaalsContact O-CE2 3.26Å; G235-W556 WeakPolarHBondContact O-CZ2 2.97Å; G235-W556 PolarHBondContact O-NE1 2.87Å; G235-L559 VanDerWaalsContact CA-CD1 3.42Å
236L90.3Very high81.8Confident29 Ų2957.2 Ų57.215%0.15230%0.302CS..BIsolated β-bridgetrans-117.9153.4172.8-65170.4000109.1V238 Y472 G475 V479 L554 W556L236-V238 HydrophobicContact CB-CG2 4.44Å; L236-V238 PolarHBondContact O-N 3.36Å; L236-Y472 HydrophobicContact CD2-CD1 3.95Å; L236-Y472 HydrophobicContact CD2-CE1 4.43Å; L236-G475 VanDerWaalsContact CD1-C 3.45Å; L236-V479 HydrophobicContact CB-CG2 4.41Å; L236-V479 HydrophobicContact CD1-CG2 3.72Å; L236-L554 PolarHBondContact N-O 3.42Å; L236-W556 PolarHBondContact O-N 3.36Å
237N83.5Confident80.8Confident76 Ų7655.7 Ų55.741%0.40630%0.297SS..  trans-78.9104.6168-74.1-10.5000107.6T3T3-N237 PolarHBondContact O-OD1 3.12Å
238V80.2Confident80.2Confident18 Ų1850.3 Ų50.311%0.10927%0.274CS..  trans-93.3109.6-177.8-176.40000109L236 V479 D555L236-V238 HydrophobicContact CB-CG2 4.44Å; L236-V238 PolarHBondContact O-N 3.36Å; V238-V479 HydrophobicContact CG1-CG1 4.39Å; V238-V479 HydrophobicContact CG2-CG2 3.88Å; V238-D555 HydrophobicContact CB-CB 4.22Å; V238-D555 HydrophobicContact CG2-CB 3.92Å
239V71.7Confident79.7Confident117 Ų11754.4 Ų54.471%0.70930%0.295SS*.  trans-87.3112.1166.6-176.30000107.2F241V239-F241 PolarHBondContact O-N 3.3Å
240K62.2Low79.4Confident128 Ų12854.8 Ų54.856%0.55730%0.297SS*.  trans-64.9124.9173.1-76.2-169.2175.1-174.30109.5E552K240-E552 WeakPolarHBondContact CE-OE1 3.41Å; K240-E552 IonicContact NZ-OE1 3.61Å; K240-E552 PolarHBondContact NZ-OE1 2.89Å
241F56.9Low79.2Confident82 Ų8255.1 Ų55.136%0.3630%0.297SS..  trans-69.3130.6161-66.8-83.7000108.1V239 A243 L250V239-F241 PolarHBondContact O-N 3.3Å; F241-A243 PolarHBondContact O-N 3.33Å; F241-L250 HydrophobicContact CE1-CD1 4.11Å; F241-L250 HydrophobicContact CZ-CD1 4.45Å
242A50.8Low79.1Confident107 Ų10756.3 Ų56.388%0.88431%0.312SS*.SBendtrans-66.5-22.2-177.500000112.5
243A55.3Low79Confident24 Ų2462 Ų6220%0.19834%0.341CS..  trans-137.6122.5-174.900000113.9F241 H245 E246F241-A243 PolarHBondContact O-N 3.33Å; A243-H245 WeakPolarHBondContact CB-CE1 3.45Å; A243-H245 PolarHBondContact O-N 3.3Å; A243-E246 HydrophobicContact CB-CG 4.16Å; A243-E246 WeakPolarHBondContact O-CB 3.38Å; A243-E246 PolarHBondContact O-N 2.87Å
244L63.4Low79.1Confident110 Ų11062 Ų6258%0.57634%0.342SS*.Hα-helixtrans-53-28.1176.8-71166.4000114.1E246L244-E246 VanDerWaalsContact C-N 3.32Å; L244-E246 PolarHBondContact O-N 3.12Å
245H66.1Low79.3Confident123 Ų12362.9 Ų62.957%0.56935%0.345SS*.Hα-helixtrans-69.3-28.9179.261.139.3000113A243 F247 Q248 N249A243-H245 WeakPolarHBondContact CB-CE1 3.45Å; A243-H245 PolarHBondContact O-N 3.3Å; H245-F247 PolarHBondContact O-N 3.37Å; H245-Q248 PolarHBondContact O-N 3.25Å; H245-N249 PolarHBondContact O-N 3.39Å; H245-N249 PolarHBondContact O-ND2 3.35Å
246E75.6Confident79.6Confident79 Ų7966.8 Ų66.837%0.36936%0.363SS..Hα-helixtrans-63.6-36.7-178.5-66.2-179.1164.600109.8A243 L244 Q248 N249 L250A243-E246 HydrophobicContact CB-CG 4.16Å; A243-E246 WeakPolarHBondContact O-CB 3.38Å; A243-E246 PolarHBondContact O-N 2.87Å; L244-E246 VanDerWaalsContact C-N 3.32Å; L244-E246 PolarHBondContact O-N 3.12Å; E246-Q248 PolarHBondContact O-N 3.33Å; E246-N249 PolarHBondContact O-N 3.25Å; E246-L250 WeakPolarHBondContact O-CB 3.31Å; E246-L250 VanDerWaalsContact O-CG 3.26Å; E246-L250 WeakPolarHBondContact O-CG 3.2Å; E246-L250 PolarHBondContact O-N 2.97Å
247F76.9Confident79.9Confident9 Ų969.7 Ų69.74%0.03938%0.375CS..Hα-helixtrans-66.8-40-176.2-176.6-130.1000113.5H245 H251 M480 R544 E548H245-F247 PolarHBondContact O-N 3.37Å; F247-H251 PolarHBondContact O-N 3.01Å; F247-M480 WeakPolarHBondContact CE2-O 3.4Å; F247-M480 WeakPolarHBondContact CZ-O 3.44Å; F247-R544 HydrophobicContact CD1-CG 3.81Å; F247-R544 HydrophobicContact CE1-CB 4.43Å; F247-R544 HydrophobicContact CE1-CG 2.99Å; F247-R544 HydrophobicContact CZ-CG 3.55Å; F247-E548 HydrophobicContact CE1-CB 4.49Å
248Q85.6Confident80.6Confident37 Ų3766.1 Ų66.117%0.17336%0.356CS..Hα-helixtrans-69.7-36.9174.3-60.4-59.9-25.800111.9H245 E246 H251 A252 I541 R544 N545H245-Q248 PolarHBondContact O-N 3.25Å; E246-Q248 PolarHBondContact O-N 3.33Å; Q248-H251 PolarHBondContact O-N 2.86Å; Q248-A252 PolarHBondContact O-N 3.5Å; Q248-I541 HydrophobicContact CG-CG2 4.49Å; Q248-R544 VanDerWaalsContact NE2-CD 3.25Å; Q248-N545 PolarHBondContact NE2-OD1 2.87Å
249N89Confident81.4Confident100 Ų10065.4 Ų65.454%0.53535%0.351SS..Hα-helixtrans-66.1-45.7176.4-69.1-16.3000111.2H245 E246 H251 A252 L253H245-N249 PolarHBondContact O-N 3.39Å; H245-N249 PolarHBondContact O-ND2 3.35Å; E246-N249 PolarHBondContact O-N 3.25Å; N249-H251 VanDerWaalsContact C-N 3.34Å; N249-H251 PolarHBondContact O-N 3.26Å; N249-A252 PolarHBondContact O-N 2.84Å; N249-A252 VanDerWaalsContact O-N 3.11Å; N249-L253 WeakPolarHBondContact O-CG 3.49Å; N249-L253 PolarHBondContact O-N 2.96Å
250L90.3Very high82.6Confident63 Ų6362.1 Ų62.133%0.3333%0.33SS..Hα-helixtrans-60.9-42.3176.3-72.7174.9000111.6F241 E246 A252 L253 A254F241-L250 HydrophobicContact CE1-CD1 4.11Å; F241-L250 HydrophobicContact CZ-CD1 4.45Å; E246-L250 WeakPolarHBondContact O-CB 3.31Å; E246-L250 VanDerWaalsContact O-CG 3.26Å; E246-L250 WeakPolarHBondContact O-CG 3.2Å; E246-L250 PolarHBondContact O-N 2.97Å; L250-A252 PolarHBondContact O-N 3.46Å; L250-L253 PolarHBondContact O-N 2.87Å; L250-A254 WeakPolarHBondContact O-CB 3.42Å; L250-A254 PolarHBondContact O-N 3.05Å
251H93.6Very high84.3Confident17 Ų1756.3 Ų56.38%0.07930%0.304CS..Hα-helixtrans-58.4-47.5171.7169.572.4000111.7F247 Q248 N249 L253 A254 K255 R456 G457 C458 R544F247-H251 PolarHBondContact O-N 3.01Å; Q248-H251 PolarHBondContact O-N 2.86Å; N249-H251 VanDerWaalsContact C-N 3.34Å; N249-H251 PolarHBondContact O-N 3.26Å; H251-L253 VanDerWaalsContact C-N 3.34Å; H251-L253 PolarHBondContact O-N 2.82Å; H251-A254 PolarHBondContact O-N 3.36Å; H251-K255 WeakPolarHBondContact O-CA 3.03Å; H251-K255 WeakPolarHBondContact O-CB 3.43Å; H251-K255 PolarHBondContact O-N 3.04Å; H251-R456 PolarHBondContact ND1-O 3.47Å; H251-G457 PolarHBondContact CE1-O 2.88Å; H251-G457 VanDerWaalsContact CE1-O 3.3Å; H251-C458 PolarHBondContact CE1-O 2.93Å; H251-R544 VanDerWaalsContact CB-NH1 3.35Å; H251-R544 PolarHBondContact CD2-NH1 3.45Å; H251-R544 PolarHBondContact CD2-NH2 2.85Å; H251-R544 PolarHBondContact CE1-NH2 2.77Å; H251-R544 PolarHBondContact ND1-NH2 2.77Å; H251-R544 PolarHBondContact NE2-NH2 3.01Å; H251-R544 VanDerWaalsContact NE2-NH2 3.14Å
252A94.3Very high86.2Confident52 Ų5252.4 Ų52.443%0.4329%0.287SS..Hα-helixtrans-61.7-42.5-178.500000112Q248 N249 L250 K255 E256Q248-A252 PolarHBondContact O-N 3.5Å; N249-A252 PolarHBondContact O-N 2.84Å; N249-A252 VanDerWaalsContact O-N 3.11Å; L250-A252 PolarHBondContact O-N 3.46Å; A252-K255 PolarHBondContact O-N 3.32Å; A252-E256 PolarHBondContact O-N 3.13Å
253L95.1Very high88.4Confident118 Ų11850.6 Ų50.662%0.61826%0.257SS*.Hα-helixtrans-63.5-48.7176.8-69.2172.3000111.9N249 L250 H251 E256 K257N249-L253 WeakPolarHBondContact O-CG 3.49Å; N249-L253 PolarHBondContact O-N 2.96Å; L250-L253 PolarHBondContact O-N 2.87Å; H251-L253 VanDerWaalsContact C-N 3.34Å; H251-L253 PolarHBondContact O-N 2.82Å; L253-E256 PolarHBondContact O-N 3.06Å; L253-K257 PolarHBondContact O-N 2.77Å
254A96.3Very high90.3Very high5 Ų549.4 Ų49.44%0.04125%0.248CC..Hα-helixtrans-65.6-40.1177.600000112.2L250 H251 E256 K257 I258 E453 R456L250-A254 WeakPolarHBondContact O-CB 3.42Å; L250-A254 PolarHBondContact O-N 3.05Å; H251-A254 PolarHBondContact O-N 3.36Å; A254-E256 VanDerWaalsContact C-N 3.31Å; A254-E256 PolarHBondContact O-N 3.44Å; A254-K257 WeakPolarHBondContact O-CB 3.38Å; A254-K257 PolarHBondContact O-N 2.82Å; A254-I258 WeakPolarHBondContact O-CG1 3.41Å; A254-I258 PolarHBondContact O-N 3.4Å; A254-I258 VanDerWaalsContact O-N 3.07Å; A254-E453 VanDerWaalsContact CB-O 3.23Å; A254-E453 WeakPolarHBondContact CB-O 3.38Å; A254-R456 HydrophobicContact CB-CB 4.29Å
255K97.5Very high91.9Very high26 Ų2644.2 Ų44.211%0.11322%0.221CC..Hα-helixtrans-60.6-40.1176-179.3177.1169.4170.60111.1H251 A252 I258 H259 Y279 H459H251-K255 WeakPolarHBondContact O-CA 3.03Å; H251-K255 WeakPolarHBondContact O-CB 3.43Å; H251-K255 PolarHBondContact O-N 3.04Å; A252-K255 PolarHBondContact O-N 3.32Å; K255-I258 CarbonylContact O-C 3.52Å; K255-I258 WeakPolarHBondContact O-CB 3.35Å; K255-I258 PolarHBondContact O-N 3.43Å; K255-H259 WeakPolarHBondContact CE-NE2 3.16Å; K255-H259 PolarHBondContact O-CD2 2.99Å; K255-H259 PolarHBondContact O-N 3.41Å; K255-Y279 HydrophobicContact CG-CD2 4.32Å; K255-Y279 HydrophobicContact CG-CE2 3.95Å; K255-H459 PolarHBondContact NZ-NE2 3.49Å; K255-H459 VanDerWaalsContact NZ-NE2 3.2Å
256E97.2Very high93.4Very high82 Ų8238.3 Ų38.338%0.38319%0.193SC..Hα-helixtrans-68.2-34.6177.3-170.658.1-158.300112.5A252 L253 A254 I258 H259 D260 R263A252-E256 PolarHBondContact O-N 3.13Å; L253-E256 PolarHBondContact O-N 3.06Å; A254-E256 VanDerWaalsContact C-N 3.31Å; A254-E256 PolarHBondContact O-N 3.44Å; E256-I258 VanDerWaalsContact C-N 3.32Å; E256-I258 PolarHBondContact O-N 2.93Å; E256-H259 VanDerWaalsContact O-CB 3.28Å; E256-H259 WeakPolarHBondContact O-CB 3.17Å; E256-H259 PolarHBondContact O-N 3.46Å; E256-H259 VanDerWaalsContact O-N 3.16Å; E256-H259 IonicContact OE2-CE1 3.88Å; E256-H259 IonicContact OE2-CG 3.62Å; E256-H259 IonicContact OE2-ND1 3.86Å; E256-H259 PolarHBondContact OE2-ND1 3.03Å; E256-D260 PolarHBondContact O-N 2.65Å; E256-R263 IonicContact OE1-CZ 3.68Å; E256-R263 VanDerWaalsContact OE1-CZ 3.32Å; E256-R263 IonicContact OE1-NH1 3.48Å; E256-R263 PolarHBondContact OE1-NH1 2.92Å; E256-R263 IonicContact OE1-NH2 2.74Å; E256-R263 PolarHBondContact OE1-NH2 2.93Å; E256-R263 IonicContact OE2-NH2 2.78Å
257K96.8Very high94.2Very high90 Ų9035 Ų3539%0.39118%0.178SC..Hα-helixtrans-62.2-38.9170-67.9177.7175.4-175.50111.8L253 A254 D260 F261 L449 E453L253-K257 PolarHBondContact O-N 2.77Å; A254-K257 WeakPolarHBondContact O-CB 3.38Å; A254-K257 PolarHBondContact O-N 2.82Å; K257-D260 WeakPolarHBondContact O-CB 3.4Å; K257-D260 PolarHBondContact O-N 2.49Å; K257-F261 PolarHBondContact O-N 3.24Å; K257-L449 HydrophobicContact CB-CD1 4.12Å; K257-L449 HydrophobicContact CB-CD2 3.78Å; K257-L449 HydrophobicContact CB-CG 4.14Å; K257-L449 HydrophobicContact CD-CD2 3.35Å; K257-L449 HydrophobicContact CD-CG 4.32Å; K257-L449 HydrophobicContact CG-CD2 4.23Å; K257-E453 IonicContact NZ-OE1 3.31Å; K257-E453 PolarHBondContact NZ-OE1 2.96Å; K257-E453 IonicContact NZ-OE2 3.8Å; K257-E453 PolarHBondContact NZ-OE2 3.37Å
258I98.1Very high95Very high1 Ų136.6 Ų36.61%0.00520%0.196CC..Hα-helixtrans-66.5-39.6172.5-60.8173.9000110.7A254 K255 E256 D260 F261 V262 Y279 F323 L449 F454A254-I258 WeakPolarHBondContact O-CG1 3.41Å; A254-I258 PolarHBondContact O-N 3.4Å; A254-I258 VanDerWaalsContact O-N 3.07Å; K255-I258 CarbonylContact O-C 3.52Å; K255-I258 WeakPolarHBondContact O-CB 3.35Å; K255-I258 PolarHBondContact O-N 3.43Å; E256-I258 VanDerWaalsContact C-N 3.32Å; E256-I258 PolarHBondContact O-N 2.93Å; I258-D260 VanDerWaalsContact C-N 3.26Å; I258-D260 PolarHBondContact O-N 3Å; I258-F261 PolarHBondContact O-N 2.84Å; I258-V262 HydrophobicContact CG2-CG2 4.1Å; I258-V262 WeakPolarHBondContact O-CB 3.44Å; I258-V262 VanDerWaalsContact O-CG2 3.25Å; I258-V262 WeakPolarHBondContact O-CG2 3.31Å; I258-V262 PolarHBondContact O-N 3.2Å; I258-Y279 HydrophobicContact CB-CD2 4.42Å; I258-Y279 HydrophobicContact CB-CE2 4.2Å; I258-Y279 HydrophobicContact CD1-CD2 4.44Å; I258-Y279 HydrophobicContact CG2-CD1 3.96Å; I258-Y279 HydrophobicContact CG2-CD2 3.89Å; I258-Y279 HydrophobicContact CG2-CE1 3.8Å; I258-Y279 HydrophobicContact CG2-CE2 3.75Å; I258-Y279 HydrophobicContact CG2-CG 4.03Å; I258-F323 HydrophobicContact CG2-CE2 4.18Å; I258-F323 HydrophobicContact CG2-CZ 4Å; I258-L449 HydrophobicContact CD1-CD1 4.46Å; I258-L449 HydrophobicContact CG1-CD1 3.55Å; I258-F454 HydrophobicContact CD1-CD2 4.02Å; I258-F454 HydrophobicContact CD1-CE2 4.27Å; I258-F454 HydrophobicContact CG1-CD2 4.31Å
259H97.7Very high95.4Very high4 Ų435.5 Ų35.52%0.01919%0.191CC..Hα-helixtrans-56-43.1175.1-74.1-168.1000111.7K255 E256 V262 R263 L274 Y279K255-H259 WeakPolarHBondContact CE-NE2 3.16Å; K255-H259 PolarHBondContact O-CD2 2.99Å; K255-H259 PolarHBondContact O-N 3.41Å; E256-H259 VanDerWaalsContact O-CB 3.28Å; E256-H259 WeakPolarHBondContact O-CB 3.17Å; E256-H259 PolarHBondContact O-N 3.46Å; E256-H259 VanDerWaalsContact O-N 3.16Å; E256-H259 IonicContact OE2-CE1 3.88Å; E256-H259 IonicContact OE2-CG 3.62Å; E256-H259 IonicContact OE2-ND1 3.86Å; E256-H259 PolarHBondContact OE2-ND1 3.03Å; H259-V262 PolarHBondContact O-N 3.47Å; H259-R263 VanDerWaalsContact O-CG 3.27Å; H259-R263 WeakPolarHBondContact O-CG 3.4Å; H259-R263 PolarHBondContact O-N 2.89Å; H259-L274 HydrophobicContact CB-CD1 4Å; H259-Y279 AromaticContact CD2-CE2 3.55Å; H259-Y279 AromaticContact CD2-CZ 3.64Å; H259-Y279 PolarHBondContact CD2-OH 2.89Å; H259-Y279 AromaticContact NE2-CE2 3.74Å; H259-Y279 PolarHBondContact NE2-OH 2.65Å
260D96Very high95.5Very high47 Ų4735.6 Ų35.625%0.25119%0.185SC..Hα-helixtrans-59.3-48.9178.1-80.1-5.6000112.5E256 K257 I258 V262 R263 G264 R348E256-D260 PolarHBondContact O-N 2.65Å; K257-D260 WeakPolarHBondContact O-CB 3.4Å; K257-D260 PolarHBondContact O-N 2.49Å; I258-D260 VanDerWaalsContact C-N 3.26Å; I258-D260 PolarHBondContact O-N 3Å; D260-V262 VanDerWaalsContact C-N 3.34Å; D260-V262 PolarHBondContact O-N 2.88Å; D260-R263 PolarHBondContact O-N 2.92Å; D260-R263 IonicContact OD1-CZ 3.3Å; D260-R263 IonicContact OD1-NH1 3.53Å; D260-R263 PolarHBondContact OD1-NH1 3.48Å; D260-G264 PolarHBondContact O-N 3.31Å; D260-R348 VanDerWaalsContact CG-NH1 3.3Å; D260-R348 VanDerWaalsContact CG-NH2 3.26Å; D260-R348 IonicContact OD1-CZ 2.83Å; D260-R348 IonicContact OD1-NH1 2.62Å; D260-R348 PolarHBondContact OD1-NH1 2.85Å; D260-R348 IonicContact OD1-NH2 2.86Å; D260-R348 PolarHBondContact OD1-NH2 3.27Å; D260-R348 IonicContact OD2-CZ 3.69Å; D260-R348 IonicContact OD2-NH1 3.85Å; D260-R348 PolarHBondContact OD2-NH1 2.95Å; D260-R348 IonicContact OD2-NH2 3.65Å
261F97.4Very high95.6Very high6 Ų636.8 Ų36.83%0.02619%0.191CC..Hα-helixtrans-58.9-45.9173.7168.1-105000111.7K257 I258 R263 G264 H265 F323 Q341 T403 I434 L446 I447K257-F261 PolarHBondContact O-N 3.24Å; I258-F261 PolarHBondContact O-N 2.84Å; F261-R263 PolarHBondContact O-N 3.41Å; F261-G264 PolarHBondContact O-N 2.95Å; F261-H265 HydrophobicContact CE1-CB 4.14Å; F261-H265 HydrophobicContact CE2-CB 4.13Å; F261-H265 AromaticContact CE2-ND1 3.98Å; F261-H265 HydrophobicContact CZ-CB 3.88Å; F261-H265 AromaticContact CZ-CG 3.78Å; F261-H265 AromaticContact CZ-ND1 3.56Å; F261-H265 WeakPolarHBondContact O-CB 3.48Å; F261-H265 PolarHBondContact O-N 2.65Å; F261-F323 HydrophobicContact CD1-CE1 4.04Å; F261-F323 HydrophobicContact CD1-CZ 4.16Å; F261-F323 AromaticContact CE1-CE1 3.64Å; F261-F323 HydrophobicContact CE1-CE1 3.64Å; F261-F323 HydrophobicContact CE1-CZ 4.09Å; F261-Q341 VanDerWaalsContact CD2-NE2 3.32Å; F261-Q341 PolarHBondContact O-NE2 2.85Å; F261-T403 HydrophobicContact CZ-CG2 4.1Å; F261-I434 HydrophobicContact CE1-CD1 3.56Å; F261-I434 HydrophobicContact CE1-CG2 4.4Å; F261-I434 HydrophobicContact CZ-CD1 4.17Å; F261-I434 HydrophobicContact CZ-CG2 4.32Å; F261-L446 VanDerWaalsContact CD2-O 3.25Å; F261-L446 WeakPolarHBondContact CD2-O 3.38Å; F261-L446 HydrophobicContact CE2-CB 4.18Å; F261-I447 HydrophobicContact CD1-CD1 4.21Å; F261-I447 HydrophobicContact CD1-CG1 3.92Å; F261-I447 HydrophobicContact CD2-CG1 3.63Å; F261-I447 HydrophobicContact CE1-CD1 3.9Å; F261-I447 HydrophobicContact CE1-CG1 3.95Å; F261-I447 HydrophobicContact CE2-CD1 4.3Å; F261-I447 HydrophobicContact CE2-CG1 3.66Å; F261-I447 HydrophobicContact CG-CG1 3.76Å; F261-I447 HydrophobicContact CZ-CD1 3.95Å; F261-I447 HydrophobicContact CZ-CG1 3.82Å
262V98Very high95.7Very high0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-62.6-42.2-178.3166.90000111.9I258 H259 D260 G264 H265 F266 F272 L274 Y279 I321 F323I258-V262 HydrophobicContact CG2-CG2 4.1Å; I258-V262 WeakPolarHBondContact O-CB 3.44Å; I258-V262 VanDerWaalsContact O-CG2 3.25Å; I258-V262 WeakPolarHBondContact O-CG2 3.31Å; I258-V262 PolarHBondContact O-N 3.2Å; H259-V262 PolarHBondContact O-N 3.47Å; D260-V262 VanDerWaalsContact C-N 3.34Å; D260-V262 PolarHBondContact O-N 2.88Å; V262-G264 VanDerWaalsContact C-N 3.29Å; V262-G264 PolarHBondContact O-N 3.41Å; V262-H265 PolarHBondContact O-N 3.06Å; V262-F266 HydrophobicContact CG1-CD2 3.85Å; V262-F266 HydrophobicContact CG1-CE2 4.32Å; V262-F266 WeakPolarHBondContact O-CD2 3.43Å; V262-F266 PolarHBondContact O-N 3.3Å; V262-F272 HydrophobicContact CG1-CE2 4.06Å; V262-F272 HydrophobicContact CG1-CZ 3.94Å; V262-L274 HydrophobicContact CG1-CD2 3.77Å; V262-Y279 HydrophobicContact CG2-CE1 3.77Å; V262-I321 HydrophobicContact CB-CD1 4.36Å; V262-I321 HydrophobicContact CG1-CD1 3.45Å; V262-I321 VanDerWaalsContact CG1-CD1 3.45Å; V262-I321 HydrophobicContact CG2-CD1 3.91Å; V262-F323 HydrophobicContact CG2-CZ 4.42Å
263R96Very high95.9Very high69 Ų6938 Ų3826%0.2619%0.19SC..Hα-helixtrans-59.5-41.2175.7-71.5171.1-169.2125.4-2.9111.4E256 H259 D260 F261 Y267 L274E256-R263 IonicContact OE1-CZ 3.68Å; E256-R263 VanDerWaalsContact OE1-CZ 3.32Å; E256-R263 IonicContact OE1-NH1 3.48Å; E256-R263 PolarHBondContact OE1-NH1 2.92Å; E256-R263 IonicContact OE1-NH2 2.74Å; E256-R263 PolarHBondContact OE1-NH2 2.93Å; E256-R263 IonicContact OE2-NH2 2.78Å; H259-R263 VanDerWaalsContact O-CG 3.27Å; H259-R263 WeakPolarHBondContact O-CG 3.4Å; H259-R263 PolarHBondContact O-N 2.89Å; D260-R263 PolarHBondContact O-N 2.92Å; D260-R263 IonicContact OD1-CZ 3.3Å; D260-R263 IonicContact OD1-NH1 3.53Å; D260-R263 PolarHBondContact OD1-NH1 3.48Å; F261-R263 PolarHBondContact O-N 3.41Å; R263-Y267 PolarHBondContact O-N 3.09Å; R263-L274 HydrophobicContact CG-CD1 3.96Å
264G95.8Very high96Very high0 Ų032.6 Ų32.60%016%0.163CC..Hα-helixtrans-70.5-44.4174.800000113D260 F261 V262 Y267 G340D260-G264 PolarHBondContact O-N 3.31Å; F261-G264 PolarHBondContact O-N 2.95Å; V262-G264 VanDerWaalsContact C-N 3.29Å; V262-G264 PolarHBondContact O-N 3.41Å; G264-Y267 WeakPolarHBondContact O-CB 3.42Å; G264-Y267 VanDerWaalsContact O-CD1 3.29Å; G264-Y267 WeakPolarHBondContact O-CD1 3.35Å; G264-Y267 PolarHBondContact O-N 3.16Å; G264-G340 WeakPolarHBondContact CA-O 3.42Å; G264-G340 CarbonylContact O-C 3.58Å; G264-G340 VanDerWaalsContact O-C 3.28Å; G264-G340 WeakPolarHBondContact O-CA 3.49Å
265H97.3Very high95.9Very high0 Ų037.5 Ų37.50%018%0.184CC..Hα-helixtrans-69.9-38.4-173.9-16984.2000112.5F261 V262 S337 P400F261-H265 HydrophobicContact CE1-CB 4.14Å; F261-H265 HydrophobicContact CE2-CB 4.13Å; F261-H265 AromaticContact CE2-ND1 3.98Å; F261-H265 HydrophobicContact CZ-CB 3.88Å; F261-H265 AromaticContact CZ-CG 3.78Å; F261-H265 AromaticContact CZ-ND1 3.56Å; F261-H265 WeakPolarHBondContact O-CB 3.48Å; F261-H265 PolarHBondContact O-N 2.65Å; V262-H265 PolarHBondContact O-N 3.06Å; H265-S337 PolarHBondContact CE1-OG 3.12Å; H265-P400 PolarHBondContact CE1-O 3.31Å; H265-P400 PolarHBondContact NE2-O 3.47Å
266F96.5Very high95.9Very high0 Ų040.1 Ų40.10%020%0.196CC..THydrogen-bonded Turntrans-95.521.2177.8-67.5-86.6000113.2V262 G268 H269 Y270 F272 I321 P399 N425 K432 I434V262-F266 HydrophobicContact CG1-CD2 3.85Å; V262-F266 HydrophobicContact CG1-CE2 4.32Å; V262-F266 WeakPolarHBondContact O-CD2 3.43Å; V262-F266 PolarHBondContact O-N 3.3Å; F266-G268 PolarHBondContact O-N 2.83Å; F266-H269 CarbonylContact O-C 3.28Å; F266-H269 WeakPolarHBondContact O-CA 3.5Å; F266-H269 PolarHBondContact O-N 3.08Å; F266-Y270 PolarHBondContact O-N 3.27Å; F266-F272 HydrophobicContact CB-CE1 4.08Å; F266-F272 HydrophobicContact CB-CZ 4.17Å; F266-F272 HydrophobicContact CD1-CE1 4.26Å; F266-F272 HydrophobicContact CD2-CZ 4.07Å; F266-F272 HydrophobicContact CG-CE1 4.07Å; F266-F272 HydrophobicContact CG-CZ 4.01Å; F266-I321 HydrophobicContact CD2-CD1 4.24Å; F266-I321 HydrophobicContact CE2-CD1 3.69Å; F266-I321 HydrophobicContact CE2-CG1 4.25Å; F266-I321 HydrophobicContact CE2-CG2 4.29Å; F266-I321 HydrophobicContact CZ-CD1 4.34Å; F266-I321 HydrophobicContact CZ-CG1 4.45Å; F266-P399 HydrophobicContact CD1-CB 3.68Å; F266-P399 HydrophobicContact CD1-CG 3.66Å; F266-P399 HydrophobicContact CE1-CB 3.97Å; F266-P399 HydrophobicContact CE1-CG 4.28Å; F266-P399 HydrophobicContact CG-CB 4.43Å; F266-P399 HydrophobicContact CG-CG 4.47Å; F266-N425 HydrophobicContact CE1-CB 4.22Å; F266-K432 HydrophobicContact CD1-CD 3.98Å; F266-K432 HydrophobicContact CE1-CB 3.8Å; F266-K432 HydrophobicContact CE1-CD 3.57Å; F266-K432 HydrophobicContact CE1-CG 4.06Å; F266-K432 HydrophobicContact CZ-CB 3.67Å; F266-K432 HydrophobicContact CZ-CD 3.94Å; F266-K432 HydrophobicContact CZ-CG 4.35Å; F266-I434 HydrophobicContact CE2-CD1 3.78Å; F266-I434 HydrophobicContact CE2-CG1 4.35Å; F266-I434 HydrophobicContact CZ-CD1 4.14Å; F266-I434 HydrophobicContact CZ-CG1 4.21Å
267Y93.4Very high96Very high9 Ų936.3 Ų36.34%0.03518%0.178CC..THydrogen-bonded Turntrans-53142.7176.286.2-79.1000111.6R263 G264 H269 E336 V343 R395R263-Y267 PolarHBondContact O-N 3.09Å; G264-Y267 WeakPolarHBondContact O-CB 3.42Å; G264-Y267 VanDerWaalsContact O-CD1 3.29Å; G264-Y267 WeakPolarHBondContact O-CD1 3.35Å; G264-Y267 PolarHBondContact O-N 3.16Å; Y267-H269 PolarHBondContact O-N 2.82Å; Y267-H269 VanDerWaalsContact O-N 3.07Å; Y267-E336 PolarHBondContact OH-OE2 3.47Å; Y267-V343 HydrophobicContact CD2-CG1 4.42Å; Y267-R395 VanDerWaalsContact CE1-NH1 3.34Å; Y267-R395 HydrophobicContact CE2-CB 4.01Å; Y267-R395 HydrophobicContact CE2-CG 4.36Å
268G92.8Very high96Very high42 Ų4232.2 Ų32.243%0.43316%0.16SC..THydrogen-bonded Turntrans76.6-23.4-173.800000115F266 S393F266-G268 PolarHBondContact O-N 2.83Å; G268-S393 WeakPolarHBondContact CA-O 3.42Å; G268-S393 PolarHBondContact N-O 3.3Å; G268-S393 VanDerWaalsContact N-O 3.17Å
269H94.3Very high96.1Very high15 Ų1532.1 Ų32.17%0.06916%0.16CC..  trans-125.221.8-179.8-66-85000112.5F266 Y267 N271 S397 W398 P399 D427F266-H269 CarbonylContact O-C 3.28Å; F266-H269 WeakPolarHBondContact O-CA 3.5Å; F266-H269 PolarHBondContact O-N 3.08Å; Y267-H269 PolarHBondContact O-N 2.82Å; Y267-H269 VanDerWaalsContact O-N 3.07Å; H269-N271 PolarHBondContact O-N 3.07Å; H269-N271 PolarHBondContact O-OD1 3.24Å; H269-S397 PolarHBondContact NE2-O 3.46Å; H269-W398 AromaticContact CE1-CD1 3.93Å; H269-P399 HydrophobicContact CB-CG 3.57Å; H269-D427 IonicContact CE1-OD1 3.55Å; H269-D427 IonicContact CE1-OD2 3.46Å; H269-D427 IonicContact CG-OD1 2.67Å; H269-D427 IonicContact ND1-OD1 3.86Å; H269-D427 PolarHBondContact ND1-OD1 3.05Å; H269-D427 IonicContact ND1-OD2 3.55Å; H269-D427 PolarHBondContact ND1-OD2 3.36Å
270Y91.3Very high96.1Very high102 Ų10232 Ų3240%0.416%0.159SC..  trans-79.870177.6-179.8-124.1000109.4F266 F272 L274F266-Y270 PolarHBondContact O-N 3.27Å; Y270-F272 HydrophobicContact CD2-CD1 4.44Å; Y270-F272 HydrophobicContact CD2-CE1 4.05Å; Y270-F272 HydrophobicContact CD2-CE2 4.21Å; Y270-F272 AromaticContact CD2-CZ 3.93Å; Y270-F272 HydrophobicContact CD2-CZ 3.93Å; Y270-F272 HydrophobicContact CE2-CD2 4.42Å; Y270-F272 HydrophobicContact CE2-CE2 4.15Å; Y270-F272 HydrophobicContact CE2-CZ 4.33Å; Y270-F272 WeakPolarHBondContact CE2-O 3.46Å; Y270-L274 HydrophobicContact CE2-CD1 4.07Å; Y270-L274 HydrophobicContact CE2-CD2 4.01Å; Y270-L274 HydrophobicContact CE2-CG 3.77Å; Y270-L274 WeakPolarHBondContact OH-CD1 3.32Å; Y270-L274 VanDerWaalsContact OH-CG 3.22Å; Y270-L274 WeakPolarHBondContact OH-CG 3.3Å
271N92.4Very high96.3Very high87 Ų8729.7 Ų29.747%0.46515%0.147SC..  trans-104.617.4-173.673.1-23.9000113.5H269 D427 K432H269-N271 PolarHBondContact O-N 3.07Å; H269-N271 PolarHBondContact O-OD1 3.24Å; N271-D427 WeakPolarHBondContact ND2-CB 3.49Å; N271-D427 PolarHBondContact ND2-O 2.68Å; N271-K432 PolarHBondContact OD1-NZ 3.39Å
272F96.5Very high96.3Very high15 Ų1529.5 Ų29.57%0.06615%0.147CC..SBendtrans-132.9157.5-174.257.3-85.8000111.1V262 F266 Y270 L274 T277 T319 I321 K432V262-F272 HydrophobicContact CG1-CE2 4.06Å; V262-F272 HydrophobicContact CG1-CZ 3.94Å; F266-F272 HydrophobicContact CB-CE1 4.08Å; F266-F272 HydrophobicContact CB-CZ 4.17Å; F266-F272 HydrophobicContact CD1-CE1 4.26Å; F266-F272 HydrophobicContact CD2-CZ 4.07Å; F266-F272 HydrophobicContact CG-CE1 4.07Å; F266-F272 HydrophobicContact CG-CZ 4.01Å; Y270-F272 HydrophobicContact CD2-CD1 4.44Å; Y270-F272 HydrophobicContact CD2-CE1 4.05Å; Y270-F272 HydrophobicContact CD2-CE2 4.21Å; Y270-F272 AromaticContact CD2-CZ 3.93Å; Y270-F272 HydrophobicContact CD2-CZ 3.93Å; Y270-F272 HydrophobicContact CE2-CD2 4.42Å; Y270-F272 HydrophobicContact CE2-CE2 4.15Å; Y270-F272 HydrophobicContact CE2-CZ 4.33Å; Y270-F272 WeakPolarHBondContact CE2-O 3.46Å; F272-L274 HydrophobicContact CD2-CD2 4.5Å; F272-L274 HydrophobicContact CE2-CD2 3.92Å; F272-T277 WeakPolarHBondContact CD2-OG1 3.28Å; F272-T277 HydrophobicContact CE2-CG2 4.38Å; F272-T319 HydrophobicContact CB-CG2 4.37Å; F272-T319 WeakPolarHBondContact CB-OG1 3.5Å; F272-T319 HydrophobicContact CD2-CG2 3.94Å; F272-T319 HydrophobicContact CE2-CG2 4.39Å; F272-T319 HydrophobicContact CG-CG2 4.09Å; F272-I321 HydrophobicContact CE2-CD1 3.8Å; F272-I321 HydrophobicContact CZ-CD1 3.87Å; F272-K432 HydrophobicContact CD1-CD 4.13Å; F272-K432 HydrophobicContact CE1-CD 3.73Å; F272-K432 HydrophobicContact CZ-CD 4.08Å
273D96.6Very high96.3Very high79 Ų7929.9 Ų29.942%0.42215%0.149SC..  trans-91.8123.3-177.6-178.52.2000111.1E275 K276 T277D273-E275 VanDerWaalsContact C-N 3.26Å; D273-E275 PolarHBondContact O-N 2.61Å; D273-E275 PolarHBondContact OD1-N 2.94Å; D273-K276 HydrophobicContact CB-CB 4.35Å; D273-K276 HydrophobicContact CB-CG 4.46Å; D273-K276 CarbonylContact O-C 3.47Å; D273-K276 PolarHBondContact O-N 2.83Å; D273-K276 VanDerWaalsContact O-N 3.11Å; D273-T277 PolarHBondContact O-N 3.36Å; D273-T277 VanDerWaalsContact O-N 3.08Å; D273-T277 PolarHBondContact O-OG1 3.12Å
274L97.1Very high96.2Very high6 Ų627.7 Ų27.73%0.03115%0.148CC..G310 helixtrans-66-26.6178-67.1174.6000113.1H259 V262 R263 Y270 F272 K276 T277H259-L274 HydrophobicContact CB-CD1 4Å; V262-L274 HydrophobicContact CG1-CD2 3.77Å; R263-L274 HydrophobicContact CG-CD1 3.96Å; Y270-L274 HydrophobicContact CE2-CD1 4.07Å; Y270-L274 HydrophobicContact CE2-CD2 4.01Å; Y270-L274 HydrophobicContact CE2-CG 3.77Å; Y270-L274 WeakPolarHBondContact OH-CD1 3.32Å; Y270-L274 VanDerWaalsContact OH-CG 3.22Å; Y270-L274 WeakPolarHBondContact OH-CG 3.3Å; F272-L274 HydrophobicContact CD2-CD2 4.5Å; F272-L274 HydrophobicContact CE2-CD2 3.92Å; L274-K276 PolarHBondContact O-N 3.31Å; L274-T277 PolarHBondContact O-N 2.78Å; L274-T277 VanDerWaalsContact O-N 3.14Å
275E95.9Very high96Very high107 Ų10735.3 Ų35.350%0.518%0.177SC..G310 helixtrans-69-25.5174.3-71.3-58.8121.800112D273 R537D273-E275 VanDerWaalsContact C-N 3.26Å; D273-E275 PolarHBondContact O-N 2.61Å; D273-E275 PolarHBondContact OD1-N 2.94Å; E275-R537 IonicContact OE2-NH1 3.29Å; E275-R537 PolarHBondContact OE2-NH1 2.85Å; E275-R537 VanDerWaalsContact OE2-NH1 3.16Å
276K97Very high95.9Very high82 Ų8238.2 Ų38.236%0.35719%0.188SC..G310 helixtrans-100.19.2172.6-61.1-170.9179.4-169.30113.4D273 L274 D317 V318 T319D273-K276 HydrophobicContact CB-CB 4.35Å; D273-K276 HydrophobicContact CB-CG 4.46Å; D273-K276 CarbonylContact O-C 3.47Å; D273-K276 PolarHBondContact O-N 2.83Å; D273-K276 VanDerWaalsContact O-N 3.11Å; L274-K276 PolarHBondContact O-N 3.31Å; K276-D317 WeakPolarHBondContact CB-O 3.47Å; K276-D317 HydrophobicContact CD-CB 3.71Å; K276-D317 IonicContact NZ-OD2 3Å; K276-D317 PolarHBondContact NZ-OD2 3.34Å; K276-V318 WeakPolarHBondContact O-CA 3.44Å; K276-T319 PolarHBondContact O-N 2.96Å; K276-T319 VanDerWaalsContact O-N 3.09Å
277T98.3Very high95.8Very high1 Ų140.9 Ų40.91%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-96.4134179.2-61.70000111.5F272 D273 L274 Y279 T319 I321F272-T277 WeakPolarHBondContact CD2-OG1 3.28Å; F272-T277 HydrophobicContact CE2-CG2 4.38Å; D273-T277 PolarHBondContact O-N 3.36Å; D273-T277 VanDerWaalsContact O-N 3.08Å; D273-T277 PolarHBondContact O-OG1 3.12Å; L274-T277 PolarHBondContact O-N 2.78Å; L274-T277 VanDerWaalsContact O-N 3.14Å; T277-Y279 HydrophobicContact CG2-CE1 3.89Å; T277-T319 CarbonylContact C-O 3.41Å; T277-T319 VanDerWaalsContact CA-O 3.25Å; T277-T319 WeakPolarHBondContact CA-O 3.38Å; T277-T319 HydrophobicContact CG2-CG2 4.38Å; T277-I321 HydrophobicContact CG2-CD1 3.85Å; T277-I321 HydrophobicContact CG2-CG1 4.02Å
278M98.3Very high95.8Very high4 Ų441.8 Ų41.82%0.0221%0.205CC..EExtended strand (participates in β ladder)trans-113.9144.6173.9-55.2-165.9-156.900110.8F280 V318 T319 V320 I321 H459 F532 C533M278-F280 HydrophobicContact CB-CD1 4.43Å; M278-F280 HydrophobicContact CB-CE1 3.95Å; M278-F280 HydrophobicContact SD-CE1 4.49Å; M278-V318 HydrophobicContact CE-CG1 3.99Å; M278-T319 PolarHBondContact N-O 3.18Å; M278-V320 CarbonylContact O-C 3.08Å; M278-V320 WeakPolarHBondContact O-CA 3.32Å; M278-I321 PolarHBondContact O-N 2.98Å; M278-H459 HydrophobicContact CB-CB 4.31Å; M278-F532 HydrophobicContact SD-CD1 4.02Å; M278-F532 HydrophobicContact SD-CE1 4.03Å; M278-C533 HydrophobicContact CE-CB 4.4Å; M278-C533 VanDerWaalsContact CE-O 3.26Å; M278-C533 WeakPolarHBondContact CE-O 3.34Å
279Y98.8Very high95.8Very high0 Ų041.9 Ų41.90%020%0.199CC..EExtended strand (participates in β ladder)trans-107.9110.9-179.7-61.4-53.1000109.3K255 I258 H259 V262 T277 I321 F323 H459 L460K255-Y279 HydrophobicContact CG-CD2 4.32Å; K255-Y279 HydrophobicContact CG-CE2 3.95Å; I258-Y279 HydrophobicContact CB-CD2 4.42Å; I258-Y279 HydrophobicContact CB-CE2 4.2Å; I258-Y279 HydrophobicContact CD1-CD2 4.44Å; I258-Y279 HydrophobicContact CG2-CD1 3.96Å; I258-Y279 HydrophobicContact CG2-CD2 3.89Å; I258-Y279 HydrophobicContact CG2-CE1 3.8Å; I258-Y279 HydrophobicContact CG2-CE2 3.75Å; I258-Y279 HydrophobicContact CG2-CG 4.03Å; H259-Y279 AromaticContact CD2-CE2 3.55Å; H259-Y279 AromaticContact CD2-CZ 3.64Å; H259-Y279 PolarHBondContact CD2-OH 2.89Å; H259-Y279 AromaticContact NE2-CE2 3.74Å; H259-Y279 PolarHBondContact NE2-OH 2.65Å; V262-Y279 HydrophobicContact CG2-CE1 3.77Å; T277-Y279 HydrophobicContact CG2-CE1 3.89Å; Y279-I321 WeakPolarHBondContact CA-O 3.34Å; Y279-I321 HydrophobicContact CD1-CB 3.93Å; Y279-I321 HydrophobicContact CD1-CG2 4.42Å; Y279-I321 HydrophobicContact CE1-CB 4.07Å; Y279-I321 HydrophobicContact CE1-CD1 3.96Å; Y279-I321 HydrophobicContact CE1-CG1 4.45Å; Y279-F323 AromaticContact CD1-CE2 3.8Å; Y279-F323 HydrophobicContact CD1-CE2 3.8Å; Y279-F323 HydrophobicContact CE1-CE2 4.46Å; Y279-F323 HydrophobicContact CG-CE2 4.44Å; Y279-H459 AromaticContact CD2-CE1 3.61Å; Y279-H459 AromaticContact CD2-ND1 3.7Å; Y279-H459 AromaticContact CG-ND1 4Å; Y279-H459 PolarHBondContact N-ND1 3.32Å; Y279-H459 PolarHBondContact O-N 2.66Å; Y279-L460 PolarHBondContact O-N 3.27Å
280F98.9Very high95.9Very high0 Ų042 Ų420%020%0.2CC..EExtended strand (participates in β ladder)trans-103.1149.8172-65.2-1.3000108.3M278 L303 V320 I321 A322 F323 L460 V462 M529 F532M278-F280 HydrophobicContact CB-CD1 4.43Å; M278-F280 HydrophobicContact CB-CE1 3.95Å; M278-F280 HydrophobicContact SD-CE1 4.49Å; F280-L303 HydrophobicContact CD2-CD2 4.44Å; F280-L303 HydrophobicContact CE2-CD2 4.01Å; F280-V320 HydrophobicContact CB-CG1 4.19Å; F280-V320 HydrophobicContact CD1-CG1 4.34Å; F280-V320 HydrophobicContact CD2-CG1 3.5Å; F280-V320 HydrophobicContact CE2-CG1 3.87Å; F280-V320 HydrophobicContact CE2-CG2 4.16Å; F280-V320 HydrophobicContact CG-CG1 3.76Å; F280-V320 HydrophobicContact CZ-CG1 4.45Å; F280-V320 HydrophobicContact CZ-CG2 4.27Å; F280-I321 PolarHBondContact N-O 2.73Å; F280-A322 CarbonylContact O-C 3.52Å; F280-A322 VanDerWaalsContact O-CA 3.3Å; F280-A322 WeakPolarHBondContact O-CA 3.5Å; F280-F323 PolarHBondContact O-N 3.28Å; F280-L460 VanDerWaalsContact CA-O 3.29Å; F280-L460 WeakPolarHBondContact CA-O 3.44Å; F280-L460 HydrophobicContact CD1-CB 3.49Å; F280-L460 VanDerWaalsContact CD1-CB 3.49Å; F280-L460 HydrophobicContact CD1-CD2 4.27Å; F280-L460 HydrophobicContact CD1-CG 4.48Å; F280-L460 HydrophobicContact CD2-CD2 4.25Å; F280-L460 HydrophobicContact CE1-CB 3.63Å; F280-L460 HydrophobicContact CE1-CD2 4.04Å; F280-L460 HydrophobicContact CE2-CD2 4.03Å; F280-L460 HydrophobicContact CG-CB 4.13Å; F280-L460 HydrophobicContact CG-CD2 4.39Å; F280-L460 HydrophobicContact CZ-CB 4.36Å; F280-L460 HydrophobicContact CZ-CD2 3.91Å; F280-V462 HydrophobicContact CB-CG2 4.49Å; F280-M529 HydrophobicContact CD2-CG 4.23Å; F280-M529 HydrophobicContact CD2-SD 3.91Å; F280-M529 HydrophobicContact CE2-CB 3.87Å; F280-M529 HydrophobicContact CE2-CG 3.91Å; F280-M529 HydrophobicContact CE2-SD 4.11Å; F280-F532 AromaticContact CE1-CD1 3.8Å; F280-F532 HydrophobicContact CE1-CD1 3.8Å; F280-F532 HydrophobicContact CE1-CE1 4.03Å; F280-F532 AromaticContact CZ-CD1 3.88Å; F280-F532 HydrophobicContact CZ-CD1 3.88Å
281F98.8Very high96.1Very high0 Ų038.1 Ų38.10%019%0.185CC..EExtended strand (participates in β ladder)trans-147.9153.2176.977.1-78.1000112.5A283 F323 F454 V455 C458 L460 G461 V462 F463 C477F281-A283 HydrophobicContact CD2-CB 4.06Å; F281-A283 HydrophobicContact CE2-CB 4.18Å; F281-F323 CarbonylContact C-O 3.58Å; F281-F323 VanDerWaalsContact CA-O 3.23Å; F281-F323 WeakPolarHBondContact CA-O 3.33Å; F281-F323 HydrophobicContact CB-CB 3.95Å; F281-F454 HydrophobicContact CB-CE1 3.81Å; F281-F454 HydrophobicContact CB-CZ 4.01Å; F281-F454 HydrophobicContact CD1-CE1 4.49Å; F281-F454 AromaticContact CD2-CE1 3.93Å; F281-F454 HydrophobicContact CD2-CE1 3.93Å; F281-F454 AromaticContact CG-CE1 3.83Å; F281-F454 HydrophobicContact CG-CE1 3.83Å; F281-F454 HydrophobicContact CG-CZ 4.47Å; F281-V455 HydrophobicContact CE1-CG1 4.14Å; F281-V455 HydrophobicContact CE1-CG2 4.42Å; F281-V455 HydrophobicContact CE2-CG2 3.78Å; F281-V455 HydrophobicContact CZ-CB 4.09Å; F281-V455 HydrophobicContact CZ-CG1 3.71Å; F281-V455 HydrophobicContact CZ-CG2 3.58Å; F281-C458 HydrophobicContact CD1-CB 3.54Å; F281-C458 HydrophobicContact CE1-CB 3.81Å; F281-L460 PolarHBondContact N-O 3.35Å; F281-L460 VanDerWaalsContact N-O 3.1Å; F281-G461 CarbonylContact O-C 3.55Å; F281-V462 PolarHBondContact O-N 3.23Å; F281-F463 HydrophobicContact CD2-CE1 4.38Å; F281-F463 HydrophobicContact CD2-CZ 4.44Å; F281-F463 AromaticContact CE2-CE1 3.93Å; F281-F463 HydrophobicContact CE2-CE1 3.93Å; F281-F463 AromaticContact CE2-CZ 3.66Å; F281-F463 HydrophobicContact CE2-CZ 3.66Å; F281-F463 HydrophobicContact CZ-CE1 4.45Å; F281-F463 AromaticContact CZ-CZ 3.75Å; F281-F463 HydrophobicContact CZ-CZ 3.75Å; F281-C477 VanDerWaalsContact CZ-SG 3.58Å
282T98.5Very high96.2Very high2 Ų234 Ų341%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-124144.7161.1-163.10000108.4F296 F323 L324 I325 Y326 V462T282-F296 HydrophobicContact CG2-CD1 3.63Å; T282-F296 HydrophobicContact CG2-CE1 3.74Å; T282-F323 PolarHBondContact N-O 3.11Å; T282-L324 HydrophobicContact CG2-CB 4.29Å; T282-L324 HydrophobicContact CG2-CG 4.13Å; T282-I325 PolarHBondContact O-N 3.33Å; T282-Y326 HydrophobicContact CG2-CE1 4.09Å; T282-Y326 HydrophobicContact CG2-CE2 4.26Å; T282-Y326 WeakPolarHBondContact CG2-OH 3.27Å; T282-Y326 PolarHBondContact OG1-OH 3.48Å; T282-V462 WeakPolarHBondContact CB-O 3.43Å; T282-V462 PolarHBondContact OG1-O 2.81Å
283A96.9Very high96.3Very high7 Ų733.2 Ų33.26%0.05816%0.16CC..EExtended strand (participates in β ladder)trans-149.2143-176.100000111F281 I325 Y451 T473F281-A283 HydrophobicContact CD2-CB 4.06Å; F281-A283 HydrophobicContact CE2-CB 4.18Å; A283-I325 WeakPolarHBondContact CA-O 3.41Å; A283-I325 HydrophobicContact CB-CB 3.99Å; A283-Y451 HydrophobicContact CB-CE2 3.86Å; A283-T473 HydrophobicContact CB-CG2 4.48Å
284G94.1Very high96.3Very high23 Ų2331.2 Ų31.224%0.23715%0.149CC..SBendtrans160.9-169.3176.200000112.7I325 P327G284-I325 PolarHBondContact N-O 3.39Å; G284-P327 VanDerWaalsContact O-CD 3.27Å; G284-P327 WeakPolarHBondContact O-CD 3.25Å
285R92.5Very high96.3Very high160 Ų16031.5 Ų31.560%0.60415%0.151SC*.SBendtrans-62.5151.7169.8-57.4-177.3-146.1149.2-0.5110.1E287R285-E287 HydrophobicContact CB-CG 4.38Å; R285-E287 IonicContact NH1-OE1 2.74Å; R285-E287 PolarHBondContact NH1-OE1 2.78Å; R285-E287 PolarHBondContact O-N 3.12Å
286Y95.2Very high96.4Very high61 Ų6126.4 Ų26.424%0.23913%0.127CC..SBendtrans-75.676.1177.7-156.2147.1000111.7F288 P327 A328 D412 V414 F435Y286-F288 HydrophobicContact CE2-CB 4.15Å; Y286-P327 WeakPolarHBondContact CB-O 3.39Å; Y286-A328 HydrophobicContact CD1-CB 3.34Å; Y286-A328 HydrophobicContact CE1-CB 3.37Å; Y286-D412 PolarHBondContact OH-OD1 3.05Å; Y286-D412 VanDerWaalsContact OH-OD1 3.04Å; Y286-D412 PolarHBondContact OH-OD2 3.24Å; Y286-V414 HydrophobicContact CE2-CG2 4.15Å; Y286-V414 WeakPolarHBondContact OH-CB 3.46Å; Y286-V414 VanDerWaalsContact OH-CG2 3.26Å; Y286-V414 WeakPolarHBondContact OH-CG2 3.48Å; Y286-V414 PolarHBondContact OH-N 2.85Å; Y286-F435 AromaticContact CE1-CZ 3.77Å; Y286-F435 HydrophobicContact CE1-CZ 3.77Å
287E93.2Very high96.5Very high57 Ų5722.5 Ų22.527%0.26611%0.11SC..  trans-121.678.2170.5-57171.8-138.300108R285 S289 N290 K291R285-E287 HydrophobicContact CB-CG 4.38Å; R285-E287 IonicContact NH1-OE1 2.74Å; R285-E287 PolarHBondContact NH1-OE1 2.78Å; R285-E287 PolarHBondContact O-N 3.12Å; E287-S289 PolarHBondContact O-N 3.21Å; E287-N290 HydrophobicContact CB-CB 3.86Å; E287-N290 PolarHBondContact O-N 3.4Å; E287-N290 VanDerWaalsContact O-N 3.12Å; E287-N290 PolarHBondContact OE2-ND2 3.14Å; E287-K291 HydrophobicContact CB-CG 4.29Å; E287-K291 WeakPolarHBondContact O-CB 3.47Å; E287-K291 PolarHBondContact O-N 3.06Å
288F94.6Very high96.5Very high27 Ų2724.2 Ų24.212%0.11812%0.118CC..THydrogen-bonded Turntrans-46.4-54.7-163.2-178.3-122.1000114.4Y286 G292 G293 D294 I297 P413 V414 H417Y286-F288 HydrophobicContact CE2-CB 4.15Å; F288-G292 PolarHBondContact O-N 2.88Å; F288-G293 WeakPolarHBondContact O-CA 3.32Å; F288-G293 PolarHBondContact O-N 2.83Å; F288-D294 HydrophobicContact CD1-CB 4.31Å; F288-D294 HydrophobicContact CE1-CB 3.66Å; F288-D294 VanDerWaalsContact CZ-CA 3.48Å; F288-D294 HydrophobicContact CZ-CB 3.86Å; F288-I297 HydrophobicContact CE2-CD1 3.79Å; F288-I297 HydrophobicContact CZ-CD1 4.06Å; F288-P413 HydrophobicContact CB-CB 4.12Å; F288-P413 HydrophobicContact CD1-CB 3.61Å; F288-P413 HydrophobicContact CD2-CB 4.41Å; F288-P413 HydrophobicContact CE1-CB 4.07Å; F288-P413 HydrophobicContact CG-CB 3.79Å; F288-V414 HydrophobicContact CD2-CG2 3.58Å; F288-V414 HydrophobicContact CE2-CB 4.42Å; F288-V414 HydrophobicContact CE2-CG2 3.68Å; F288-H417 HydrophobicContact CZ-CB 3.84Å; F288-H417 AromaticContact CZ-CG 3.92Å
289S93.6Very high96.6Very high45 Ų4524 Ų2432%0.31512%0.117SC..THydrogen-bonded Turntrans-77.9-37-179.8-66.60000113.3E287 K291 G292 D294 Y466E287-S289 PolarHBondContact O-N 3.21Å; S289-K291 VanDerWaalsContact C-N 3.34Å; S289-K291 PolarHBondContact O-N 3.36Å; S289-G292 PolarHBondContact O-N 3.35Å; S289-D294 WeakPolarHBondContact CA-OD2 3.45Å; S289-D294 VanDerWaalsContact CB-OD2 3.31Å; S289-D294 WeakPolarHBondContact CB-OD2 3.49Å; S289-D294 PolarHBondContact OG-OD2 3.31Å; S289-Y466 WeakPolarHBondContact O-CB 3.36Å
290N94.4Very high96.6Very high16 Ų1624 Ų249%0.08612%0.117CC..THydrogen-bonded Turntrans-63.3-41.1178.8-71.3-12.6000111.7E287 G292 S465 Y466 Y467E287-N290 HydrophobicContact CB-CB 3.86Å; E287-N290 PolarHBondContact O-N 3.4Å; E287-N290 VanDerWaalsContact O-N 3.12Å; E287-N290 PolarHBondContact OE2-ND2 3.14Å; N290-G292 PolarHBondContact O-N 2.98Å; N290-S465 CarbonylContact O-C 3.14Å; N290-S465 VanDerWaalsContact O-CA 3.25Å; N290-S465 WeakPolarHBondContact O-CA 3.39Å; N290-S465 VanDerWaalsContact O-CB 3.29Å; N290-S465 WeakPolarHBondContact O-CB 3.19Å; N290-Y466 PolarHBondContact O-N 3.28Å; N290-Y467 PolarHBondContact O-N 3.44Å
291K95.6Very high96.6Very high21 Ų2125.2 Ų25.29%0.09113%0.127CC..THydrogen-bonded Turntrans-79.5-4.5174-61.6-56.2-179.6-178.40113.7E287 S289 Y326 E468E287-K291 HydrophobicContact CB-CG 4.29Å; E287-K291 WeakPolarHBondContact O-CB 3.47Å; E287-K291 PolarHBondContact O-N 3.06Å; S289-K291 VanDerWaalsContact C-N 3.34Å; S289-K291 PolarHBondContact O-N 3.36Å; K291-Y326 HydrophobicContact CB-CE1 4.34Å; K291-E468 IonicContact NZ-OE1 3.46Å; K291-E468 IonicContact NZ-OE2 3.58Å; K291-E468 PolarHBondContact NZ-OE2 3.24Å
292G96.2Very high96.6Very high0 Ų027.2 Ų27.20%013%0.134CC..THydrogen-bonded Turntrans72.926177.300000114.2F288 S289 N290 D294 L295 F296 P464F288-G292 PolarHBondContact O-N 2.88Å; S289-G292 PolarHBondContact O-N 3.35Å; N290-G292 PolarHBondContact O-N 2.98Å; G292-D294 WeakPolarHBondContact CA-OD1 3.27Å; G292-D294 PolarHBondContact O-N 2.61Å; G292-L295 PolarHBondContact O-N 2.9Å; G292-F296 WeakPolarHBondContact O-CB 3.36Å; G292-F296 PolarHBondContact O-N 3.01Å; G292-P464 WeakPolarHBondContact O-CG 3.43Å
293G97.4Very high96.6Very high0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-61.1-33.2174.800000112.8F288 I297F288-G293 WeakPolarHBondContact O-CA 3.32Å; F288-G293 PolarHBondContact O-N 2.83Å; G293-I297 WeakPolarHBondContact O-CD1 3.11Å; G293-I297 WeakPolarHBondContact O-CG1 3.4Å; G293-I297 PolarHBondContact O-N 2.93Å
294D96.5Very high96.7Very high37 Ų3727.4 Ų27.420%0.19813%0.134CC..Hα-helixtrans-59.8-56.7170.846.76.2000111.7F288 S289 G292 F296 I297 E298 H417F288-D294 HydrophobicContact CD1-CB 4.31Å; F288-D294 HydrophobicContact CE1-CB 3.66Å; F288-D294 VanDerWaalsContact CZ-CA 3.48Å; F288-D294 HydrophobicContact CZ-CB 3.86Å; S289-D294 WeakPolarHBondContact CA-OD2 3.45Å; S289-D294 VanDerWaalsContact CB-OD2 3.31Å; S289-D294 WeakPolarHBondContact CB-OD2 3.49Å; S289-D294 PolarHBondContact OG-OD2 3.31Å; G292-D294 WeakPolarHBondContact CA-OD1 3.27Å; G292-D294 PolarHBondContact O-N 2.61Å; D294-F296 VanDerWaalsContact C-N 3.29Å; D294-F296 PolarHBondContact O-N 3.39Å; D294-I297 PolarHBondContact O-N 3.26Å; D294-E298 WeakPolarHBondContact O-CB 3.42Å; D294-E298 PolarHBondContact O-N 2.84Å; D294-E298 VanDerWaalsContact O-N 3.14Å; D294-H417 PolarHBondContact O-NE2 3.33Å
295L97.5Very high96.9Very high11 Ų1131.5 Ų31.56%0.05815%0.147CC..Hα-helixtrans-60.5-39.9179.3-163.5107000111.5G292 A299 P464 V522 L525G292-L295 PolarHBondContact O-N 2.9Å; L295-A299 WeakPolarHBondContact O-CB 3.33Å; L295-A299 PolarHBondContact O-N 2.88Å; L295-P464 HydrophobicContact CB-CG 4.46Å; L295-P464 HydrophobicContact CD2-CB 3.55Å; L295-P464 HydrophobicContact CD2-CG 4.08Å; L295-V522 HydrophobicContact CD1-CG2 3.55Å; L295-V522 HydrophobicContact CG-CG2 3.8Å; L295-L525 HydrophobicContact CD2-CB 4.36Å; L295-L525 HydrophobicContact CD2-CD2 3.69Å; L295-L525 HydrophobicContact CG-CD2 4.43Å
296F98.8Very high97.2Very high0 Ų026.6 Ų26.60%013%0.129CC..Hα-helixtrans-63.9-48.5179.6-178.3-143.3000112T282 G292 D294 E298 A299 L300 A322 L324 V462 P464 M529T282-F296 HydrophobicContact CG2-CD1 3.63Å; T282-F296 HydrophobicContact CG2-CE1 3.74Å; G292-F296 WeakPolarHBondContact O-CB 3.36Å; G292-F296 PolarHBondContact O-N 3.01Å; D294-F296 VanDerWaalsContact C-N 3.29Å; D294-F296 PolarHBondContact O-N 3.39Å; F296-E298 VanDerWaalsContact C-N 3.33Å; F296-E298 PolarHBondContact O-N 3.36Å; F296-A299 PolarHBondContact O-N 3.47Å; F296-L300 HydrophobicContact CD1-CD1 4.22Å; F296-L300 HydrophobicContact CD2-CD1 4.14Å; F296-L300 HydrophobicContact CD2-CD2 4.35Å; F296-L300 HydrophobicContact CD2-CG 3.9Å; F296-L300 HydrophobicContact CE1-CD1 3.94Å; F296-L300 HydrophobicContact CE2-CD1 3.85Å; F296-L300 HydrophobicContact CE2-CD2 3.64Å; F296-L300 HydrophobicContact CE2-CG 3.66Å; F296-L300 HydrophobicContact CG-CD1 4.33Å; F296-L300 HydrophobicContact CZ-CD1 3.76Å; F296-L300 HydrophobicContact CZ-CD2 4Å; F296-L300 HydrophobicContact CZ-CG 4.07Å; F296-L300 VanDerWaalsContact O-CG 3.3Å; F296-L300 WeakPolarHBondContact O-CG 3.41Å; F296-L300 PolarHBondContact O-N 2.82Å; F296-A322 HydrophobicContact CZ-CB 4.1Å; F296-L324 HydrophobicContact CE1-CG 4.44Å; F296-V462 HydrophobicContact CD2-CB 4.06Å; F296-V462 HydrophobicContact CD2-CG1 3.42Å; F296-V462 VanDerWaalsContact CD2-CG1 3.42Å; F296-V462 HydrophobicContact CE2-CB 3.71Å; F296-V462 HydrophobicContact CE2-CG1 3.55Å; F296-V462 HydrophobicContact CE2-CG2 3.99Å; F296-V462 HydrophobicContact CG-CG1 4.14Å; F296-V462 HydrophobicContact CZ-CB 4.06Å; F296-V462 HydrophobicContact CZ-CG1 4.33Å; F296-V462 HydrophobicContact CZ-CG2 4.38Å; F296-P464 HydrophobicContact CB-CG 4.11Å; F296-M529 HydrophobicContact CD2-SD 4.33Å; F296-M529 HydrophobicContact CE2-SD 3.85Å
297I98.8Very high97.3Very high0 Ų024.2 Ų24.20%012%0.12CC..Hα-helixtrans-64.2-40.2-179.6-67.2165.4000111.3F288 G293 D294 A299 L300 A301 L324 V414 H417 L418 T421 L423F288-I297 HydrophobicContact CE2-CD1 3.79Å; F288-I297 HydrophobicContact CZ-CD1 4.06Å; G293-I297 WeakPolarHBondContact O-CD1 3.11Å; G293-I297 WeakPolarHBondContact O-CG1 3.4Å; G293-I297 PolarHBondContact O-N 2.93Å; D294-I297 PolarHBondContact O-N 3.26Å; I297-A299 VanDerWaalsContact C-N 3.33Å; I297-A299 PolarHBondContact O-N 2.8Å; I297-L300 PolarHBondContact O-N 3.05Å; I297-A301 PolarHBondContact O-N 2.92Å; I297-A301 VanDerWaalsContact O-N 3.11Å; I297-L324 HydrophobicContact CD1-CD2 3.93Å; I297-L324 HydrophobicContact CG1-CD2 3.94Å; I297-V414 HydrophobicContact CD1-CG1 4.25Å; I297-H417 HydrophobicContact CD1-CB 3.93Å; I297-H417 HydrophobicContact CG2-CB 4.34Å; I297-L418 HydrophobicContact CB-CD2 4.49Å; I297-L418 HydrophobicContact CD1-CD2 4.15Å; I297-L418 HydrophobicContact CD1-CG 4.06Å; I297-L418 HydrophobicContact CG1-CD2 4Å; I297-L418 HydrophobicContact CG1-CG 4.47Å; I297-L418 HydrophobicContact CG2-CD2 3.69Å; I297-L418 HydrophobicContact CG2-CG 4.33Å; I297-T421 HydrophobicContact CG2-CG2 4.07Å; I297-T421 WeakPolarHBondContact CG2-OG1 3.28Å; I297-L423 HydrophobicContact CG2-CD1 4.12Å
298E98.6Very high97.5Very high38 Ų3825.8 Ų25.818%0.17813%0.126CC..Hα-helixtrans-64.8-38.3177.2-166.458.9-153.300111.5D294 F296 A301 R302 H417 R420 T421 V522D294-E298 WeakPolarHBondContact O-CB 3.42Å; D294-E298 PolarHBondContact O-N 2.84Å; D294-E298 VanDerWaalsContact O-N 3.14Å; F296-E298 VanDerWaalsContact C-N 3.33Å; F296-E298 PolarHBondContact O-N 3.36Å; E298-A301 PolarHBondContact O-N 2.9Å; E298-R302 VanDerWaalsContact CG-NH1 3.25Å; E298-R302 PolarHBondContact O-N 2.85Å; E298-R302 PolarHBondContact O-NH1 2.97Å; E298-R302 IonicContact OE1-CZ 3.23Å; E298-R302 VanDerWaalsContact OE1-CZ 3.23Å; E298-R302 IonicContact OE1-NH1 3Å; E298-R302 PolarHBondContact OE1-NH1 3.43Å; E298-R302 IonicContact OE1-NH2 3.66Å; E298-R302 PolarHBondContact OE1-NH2 3.34Å; E298-H417 IonicContact OE2-NE2 3.51Å; E298-R420 IonicContact OE2-CZ 3.4Å; E298-R420 IonicContact OE2-NH1 3.86Å; E298-R420 PolarHBondContact OE2-NH1 3.3Å; E298-R420 IonicContact OE2-NH2 2.77Å; E298-R420 PolarHBondContact OE2-NH2 3.46Å; E298-T421 VanDerWaalsContact OE2-CG2 3.31Å; E298-T421 WeakPolarHBondContact OE2-CG2 3.46Å; E298-V522 HydrophobicContact CB-CG1 4.19Å; E298-V522 HydrophobicContact CB-CG2 4.25Å; E298-V522 HydrophobicContact CG-CG1 3.85Å; E298-V522 HydrophobicContact CG-CG2 4.09Å
299A98.8Very high97.6Very high0 Ų028.3 Ų28.30%014%0.144CC..Hα-helixtrans-70.5-35.5174.100000112.9L295 F296 I297 A301 R302 L303 V522 L525 A526 M529L295-A299 WeakPolarHBondContact O-CB 3.33Å; L295-A299 PolarHBondContact O-N 2.88Å; F296-A299 PolarHBondContact O-N 3.47Å; I297-A299 VanDerWaalsContact C-N 3.33Å; I297-A299 PolarHBondContact O-N 2.8Å; A299-A301 VanDerWaalsContact C-N 3.29Å; A299-A301 PolarHBondContact O-N 3.09Å; A299-R302 PolarHBondContact O-N 3.15Å; A299-L303 WeakPolarHBondContact O-CB 3.45Å; A299-L303 PolarHBondContact O-N 2.77Å; A299-V522 HydrophobicContact CB-CG1 4.26Å; A299-L525 HydrophobicContact CB-CB 3.98Å; A299-L525 HydrophobicContact CB-CD2 3.57Å; A299-L525 HydrophobicContact CB-CG 3.61Å; A299-A526 HydrophobicContact CB-CB 4.21Å; A299-M529 HydrophobicContact CB-CE 3.57Å
300L98.9Very high97.8Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-62.4-35.9173.6-74.2174000111.9F296 I297 L303 N304 A322 L423 V431 V433 M529F296-L300 HydrophobicContact CD1-CD1 4.22Å; F296-L300 HydrophobicContact CD2-CD1 4.14Å; F296-L300 HydrophobicContact CD2-CD2 4.35Å; F296-L300 HydrophobicContact CD2-CG 3.9Å; F296-L300 HydrophobicContact CE1-CD1 3.94Å; F296-L300 HydrophobicContact CE2-CD1 3.85Å; F296-L300 HydrophobicContact CE2-CD2 3.64Å; F296-L300 HydrophobicContact CE2-CG 3.66Å; F296-L300 HydrophobicContact CG-CD1 4.33Å; F296-L300 HydrophobicContact CZ-CD1 3.76Å; F296-L300 HydrophobicContact CZ-CD2 4Å; F296-L300 HydrophobicContact CZ-CG 4.07Å; F296-L300 VanDerWaalsContact O-CG 3.3Å; F296-L300 WeakPolarHBondContact O-CG 3.41Å; F296-L300 PolarHBondContact O-N 2.82Å; I297-L300 PolarHBondContact O-N 3.05Å; L300-L303 HydrophobicContact CD2-CD2 4.33Å; L300-L303 PolarHBondContact O-N 2.92Å; L300-N304 WeakPolarHBondContact O-CB 3.49Å; L300-N304 PolarHBondContact O-N 3.06Å; L300-A322 HydrophobicContact CD1-CB 3.59Å; L300-A322 HydrophobicContact CD2-CB 3.71Å; L300-A322 HydrophobicContact CG-CB 4.33Å; L300-L423 HydrophobicContact CB-CD1 3.84Å; L300-V431 HydrophobicContact CB-CG1 4.14Å; L300-V431 HydrophobicContact CD2-CG1 3.82Å; L300-V431 HydrophobicContact CG-CG1 4.46Å; L300-V433 HydrophobicContact CD1-CG1 4.21Å; L300-M529 HydrophobicContact CD2-CE 4.34Å; L300-M529 HydrophobicContact CD2-SD 4.13Å
301A98.8Very high97.9Very high24 Ų2433.9 Ų33.920%0.19818%0.178CC..Hα-helixtrans-64.7-43.6175.400000112.1I297 E298 A299 N304 H305 T421I297-A301 PolarHBondContact O-N 2.92Å; I297-A301 VanDerWaalsContact O-N 3.11Å; E298-A301 PolarHBondContact O-N 2.9Å; A299-A301 VanDerWaalsContact C-N 3.29Å; A299-A301 PolarHBondContact O-N 3.09Å; A301-N304 WeakPolarHBondContact O-CB 3.48Å; A301-N304 PolarHBondContact O-N 3.01Å; A301-H305 PolarHBondContact O-N 3.35Å; A301-H305 VanDerWaalsContact O-N 3.13Å; A301-T421 HydrophobicContact CB-CG2 4.24Å
302R98.7Very high97.9Very high43 Ų4334.8 Ų34.816%0.16218%0.184CC..Hα-helixtrans-64.4-43173.1-78.2152.9-171.168.7-6.1111.7E298 A299 N304 H305 Y306 E519 V522 A526E298-R302 VanDerWaalsContact CG-NH1 3.25Å; E298-R302 PolarHBondContact O-N 2.85Å; E298-R302 PolarHBondContact O-NH1 2.97Å; E298-R302 IonicContact OE1-CZ 3.23Å; E298-R302 VanDerWaalsContact OE1-CZ 3.23Å; E298-R302 IonicContact OE1-NH1 3Å; E298-R302 PolarHBondContact OE1-NH1 3.43Å; E298-R302 IonicContact OE1-NH2 3.66Å; E298-R302 PolarHBondContact OE1-NH2 3.34Å; A299-R302 PolarHBondContact O-N 3.15Å; R302-N304 VanDerWaalsContact C-N 3.31Å; R302-N304 PolarHBondContact O-N 3.05Å; R302-H305 WeakPolarHBondContact O-CB 3.26Å; R302-H305 PolarHBondContact O-N 3.28Å; R302-H305 VanDerWaalsContact O-N 3.12Å; R302-Y306 HydrophobicContact CB-CE2 4.43Å; R302-Y306 WeakPolarHBondContact O-CD1 3.23Å; R302-Y306 VanDerWaalsContact O-CG 3.26Å; R302-Y306 PolarHBondContact O-N 3.24Å; R302-E519 IonicContact CZ-OE1 3.32Å; R302-E519 IonicContact CZ-OE2 2.86Å; R302-E519 IonicContact NE-OE1 3.16Å; R302-E519 PolarHBondContact NE-OE1 3.27Å; R302-E519 IonicContact NE-OE2 2.69Å; R302-E519 VanDerWaalsContact NH2-CD 3.34Å; R302-E519 IonicContact NH2-OE1 3.25Å; R302-E519 PolarHBondContact NH2-OE1 3.49Å; R302-E519 VanDerWaalsContact NH2-OE1 3.09Å; R302-E519 IonicContact NH2-OE2 3.09Å; R302-E519 PolarHBondContact NH2-OE2 2.93Å; R302-V522 VanDerWaalsContact CD-CG1 3.41Å; R302-V522 VanDerWaalsContact NE-CG1 3.32Å; R302-A526 HydrophobicContact CB-CB 3.7Å
303L98.8Very high97.9Very high0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-59-41.7174.518065.5000111.8F280 A299 L300 H305 Y306 L307 V320 V431 M529 Y530F280-L303 HydrophobicContact CD2-CD2 4.44Å; F280-L303 HydrophobicContact CE2-CD2 4.01Å; A299-L303 WeakPolarHBondContact O-CB 3.45Å; A299-L303 PolarHBondContact O-N 2.77Å; L300-L303 HydrophobicContact CD2-CD2 4.33Å; L300-L303 PolarHBondContact O-N 2.92Å; L303-H305 VanDerWaalsContact C-N 3.29Å; L303-H305 PolarHBondContact O-N 2.98Å; L303-Y306 PolarHBondContact O-N 3.28Å; L303-L307 HydrophobicContact CD1-CD1 4.2Å; L303-L307 HydrophobicContact CD1-CG 4.1Å; L303-L307 HydrophobicContact CG-CD1 4.11Å; L303-L307 HydrophobicContact CG-CG 4.37Å; L303-L307 WeakPolarHBondContact O-CG 3.48Å; L303-L307 PolarHBondContact O-N 2.9Å; L303-V320 HydrophobicContact CD2-CG1 4.38Å; L303-V320 HydrophobicContact CD2-CG2 4.2Å; L303-V431 HydrophobicContact CB-CG2 4.07Å; L303-V431 HydrophobicContact CD2-CG2 3.8Å; L303-V431 HydrophobicContact CG-CG2 3.69Å; L303-M529 HydrophobicContact CB-CE 4.28Å; L303-M529 HydrophobicContact CD1-CB 4.13Å; L303-M529 HydrophobicContact CD2-CB 3.88Å; L303-M529 HydrophobicContact CD2-CE 4.18Å; L303-M529 HydrophobicContact CD2-SD 4.16Å; L303-Y530 HydrophobicContact CD1-CD2 4.46Å
304N98.7Very high97.8Very high13 Ų1349.2 Ų49.27%0.0725%0.246CC..Hα-helixtrans-59.6-43.4175.8-167.831.8000111L300 A301 R302 K308 L423 D429 R430 V431L300-N304 WeakPolarHBondContact O-CB 3.49Å; L300-N304 PolarHBondContact O-N 3.06Å; A301-N304 WeakPolarHBondContact O-CB 3.48Å; A301-N304 PolarHBondContact O-N 3.01Å; R302-N304 VanDerWaalsContact C-N 3.31Å; R302-N304 PolarHBondContact O-N 3.05Å; N304-K308 PolarHBondContact ND2-NZ 3.24Å; N304-K308 VanDerWaalsContact ND2-NZ 3.14Å; N304-K308 WeakPolarHBondContact O-CB 3.46Å; N304-K308 WeakPolarHBondContact O-CD 3.46Å; N304-K308 WeakPolarHBondContact O-CG 3.32Å; N304-K308 PolarHBondContact O-N 3.38Å; N304-K308 VanDerWaalsContact O-N 3.16Å; N304-K308 WeakPolarHBondContact OD1-CE 3.5Å; N304-L423 HydrophobicContact CB-CD2 4.25Å; N304-D429 PolarHBondContact ND2-OD1 2.62Å; N304-R430 PolarHBondContact OD1-N 3Å; N304-V431 HydrophobicContact CB-CB 3.82Å; N304-V431 HydrophobicContact CB-CG2 3.86Å; N304-V431 PolarHBondContact OD1-N 3Å
305H98.5Very high97.7Very high108 Ų10847.5 Ų47.550%0.524%0.238SC..Hα-helixtrans-62.5-51174.7-177.578.9000111.2A301 R302 L303 L307 K308 T309A301-H305 PolarHBondContact O-N 3.35Å; A301-H305 VanDerWaalsContact O-N 3.13Å; R302-H305 WeakPolarHBondContact O-CB 3.26Å; R302-H305 PolarHBondContact O-N 3.28Å; R302-H305 VanDerWaalsContact O-N 3.12Å; L303-H305 VanDerWaalsContact C-N 3.29Å; L303-H305 PolarHBondContact O-N 2.98Å; H305-L307 PolarHBondContact O-N 3.29Å; H305-K308 WeakPolarHBondContact O-CB 3.41Å; H305-K308 PolarHBondContact O-N 2.97Å; H305-T309 PolarHBondContact O-N 3.42Å; H305-T309 PolarHBondContact O-OG1 3.41Å
306Y98.6Very high97.6Very high57 Ų5752.4 Ų52.422%0.22426%0.258CS..Hα-helixtrans-56-46.3179.4-62.7-16.2000112.1R302 L303 K308 T309 S310 A526 Y530R302-Y306 HydrophobicContact CB-CE2 4.43Å; R302-Y306 WeakPolarHBondContact O-CD1 3.23Å; R302-Y306 VanDerWaalsContact O-CG 3.26Å; R302-Y306 PolarHBondContact O-N 3.24Å; L303-Y306 PolarHBondContact O-N 3.28Å; Y306-K308 VanDerWaalsContact C-N 3.29Å; Y306-K308 PolarHBondContact O-N 3.02Å; Y306-T309 PolarHBondContact O-N 3.24Å; Y306-S310 WeakPolarHBondContact O-CA 3.47Å; Y306-S310 WeakPolarHBondContact O-CB 3.31Å; Y306-S310 PolarHBondContact O-N 2.87Å; Y306-A526 HydrophobicContact CE2-CB 3.88Å; Y306-Y530 HydrophobicContact CD2-CD2 4.42Å; Y306-Y530 HydrophobicContact CD2-CG 4.29Å; Y306-Y530 HydrophobicContact CG-CD2 4.48Å
307L98.5Very high97.5Very high12 Ų1255.9 Ų55.96%0.06328%0.277CS..Hα-helixtrans-68.9-25.6179.3-67.9178.6000113.4L303 H305 A315 V318 V320 R430 V431 Y530 C533L303-L307 HydrophobicContact CD1-CD1 4.2Å; L303-L307 HydrophobicContact CD1-CG 4.1Å; L303-L307 HydrophobicContact CG-CD1 4.11Å; L303-L307 HydrophobicContact CG-CG 4.37Å; L303-L307 WeakPolarHBondContact O-CG 3.48Å; L303-L307 PolarHBondContact O-N 2.9Å; H305-L307 PolarHBondContact O-N 3.29Å; L307-A315 HydrophobicContact CD2-CB 4.06Å; L307-V318 HydrophobicContact CD2-CB 4.45Å; L307-V320 HydrophobicContact CD1-CG2 3.92Å; L307-R430 HydrophobicContact CB-CB 3.55Å; L307-R430 HydrophobicContact CB-CG 3.96Å; L307-R430 HydrophobicContact CD1-CB 4.08Å; L307-R430 HydrophobicContact CG-CB 4.49Å; L307-V431 HydrophobicContact CD1-CG2 4.09Å; L307-Y530 HydrophobicContact CD2-CD2 4.1Å; L307-Y530 HydrophobicContact CD2-CE2 4.27Å; L307-C533 HydrophobicContact CD2-CB 4.13Å
308K97.3Very high97.4Very high90 Ų9056.3 Ų56.339%0.39128%0.28SS..Hα-helixtrans-78.1-37175.7-76.5171.8174173.80112.8N304 H305 Y306 T428 D429 R430N304-K308 PolarHBondContact ND2-NZ 3.24Å; N304-K308 VanDerWaalsContact ND2-NZ 3.14Å; N304-K308 WeakPolarHBondContact O-CB 3.46Å; N304-K308 WeakPolarHBondContact O-CD 3.46Å; N304-K308 WeakPolarHBondContact O-CG 3.32Å; N304-K308 PolarHBondContact O-N 3.38Å; N304-K308 VanDerWaalsContact O-N 3.16Å; N304-K308 WeakPolarHBondContact OD1-CE 3.5Å; H305-K308 WeakPolarHBondContact O-CB 3.41Å; H305-K308 PolarHBondContact O-N 2.97Å; Y306-K308 VanDerWaalsContact C-N 3.29Å; Y306-K308 PolarHBondContact O-N 3.02Å; K308-T428 WeakPolarHBondContact CE-O 3.35Å; K308-D429 IonicContact NZ-OD1 2.89Å; K308-D429 PolarHBondContact NZ-OD1 3.3Å; K308-R430 HydrophobicContact CG-CG 3.74Å
309T97.3Very high97.4Very high80 Ų8054.5 Ų54.549%0.49127%0.271SS..Hα-helixtrans-104.6-8.3-171.559.30000113.7H305 Y306 T311H305-T309 PolarHBondContact O-N 3.42Å; H305-T309 PolarHBondContact O-OG1 3.41Å; Y306-T309 PolarHBondContact O-N 3.24Å; T309-T311 PolarHBondContact O-N 3.08Å
310S97Very high97.4Very high37 Ų3754.5 Ų54.526%0.25927%0.271SS..  trans-60.4133.6179.8177.10000112.2Y306 D312 Y530Y306-S310 WeakPolarHBondContact O-CA 3.47Å; Y306-S310 WeakPolarHBondContact O-CB 3.31Å; Y306-S310 PolarHBondContact O-N 2.87Å; S310-D312 VanDerWaalsContact C-N 3.35Å; S310-D312 VanDerWaalsContact OG-CB 3.28Å; S310-D312 WeakPolarHBondContact OG-CB 3.48Å; S310-D312 PolarHBondContact OG-N 3.26Å; S310-Y530 WeakPolarHBondContact CB-OH 3.26Å; S310-Y530 PolarHBondContact OG-OH 2.7Å
311T96Very high97.4Very high141 Ų14154.5 Ų54.587%0.86527%0.271SS*.  trans-90.8-2.6169.756.10000112.2T309 M313T309-T311 PolarHBondContact O-N 3.08Å; T311-M313 PolarHBondContact O-N 2.93Å
312D96.2Very high97.4Very high39 Ų3953.4 Ų53.421%0.20926%0.262CS..  trans-73.9116.2178.2-167.7-27.8000110.4S310 R314 A315 K316S310-D312 VanDerWaalsContact C-N 3.35Å; S310-D312 VanDerWaalsContact OG-CB 3.28Å; S310-D312 WeakPolarHBondContact OG-CB 3.48Å; S310-D312 PolarHBondContact OG-N 3.26Å; D312-R314 PolarHBondContact O-N 2.97Å; D312-R314 VanDerWaalsContact OD1-CB 3.25Å; D312-R314 WeakPolarHBondContact OD1-CB 3.49Å; D312-R314 WeakPolarHBondContact OD1-CG 3.38Å; D312-R314 IonicContact OD1-CZ 3.86Å; D312-R314 PolarHBondContact OD1-N 3.38Å; D312-R314 IonicContact OD1-NE 2.91Å; D312-R314 PolarHBondContact OD1-NE 3.17Å; D312-R314 IonicContact OD1-NH2 2.79Å; D312-R314 IonicContact OD2-CZ 2.68Å; D312-R314 VanDerWaalsContact OD2-CZ 3.23Å; D312-R314 IonicContact OD2-NE 3.65Å; D312-R314 PolarHBondContact OD2-NE 3.32Å; D312-R314 IonicContact OD2-NH2 2.88Å; D312-R314 PolarHBondContact OD2-NH2 2.84Å; D312-A315 PolarHBondContact O-N 3.49Å; D312-K316 PolarHBondContact O-N 3.33Å
313M95.7Very high97.4Very high146 Ų14651.4 Ų51.472%0.71925%0.254SS*.THydrogen-bonded Turntrans-59.7-20.4179.8-67.8-69-85.500113.2T311 K316T311-M313 PolarHBondContact O-N 2.93Å; M313-K316 HydrophobicContact CE-CD 4.46Å; M313-K316 WeakPolarHBondContact O-CB 3.44Å; M313-K316 PolarHBondContact O-N 2.87Å; M313-K316 HydrophobicContact SD-CD 4.13Å
314R95.9Very high97.4Very high157 Ų15751.4 Ų51.459%0.59225%0.254SS*.THydrogen-bonded Turntrans-73.1-29.3175.7-59.5173.3-67.7177.1-1112.8D312 C534D312-R314 PolarHBondContact O-N 2.97Å; D312-R314 VanDerWaalsContact OD1-CB 3.25Å; D312-R314 WeakPolarHBondContact OD1-CB 3.49Å; D312-R314 WeakPolarHBondContact OD1-CG 3.38Å; D312-R314 IonicContact OD1-CZ 3.86Å; D312-R314 PolarHBondContact OD1-N 3.38Å; D312-R314 IonicContact OD1-NE 2.91Å; D312-R314 PolarHBondContact OD1-NE 3.17Å; D312-R314 IonicContact OD1-NH2 2.79Å; D312-R314 IonicContact OD2-CZ 2.68Å; D312-R314 VanDerWaalsContact OD2-CZ 3.23Å; D312-R314 IonicContact OD2-NE 3.65Å; D312-R314 PolarHBondContact OD2-NE 3.32Å; D312-R314 IonicContact OD2-NH2 2.88Å; D312-R314 PolarHBondContact OD2-NH2 2.84Å; R314-C534 HydrophobicContact CB-CB 4.23Å
315A95.4Very high97.4Very high2 Ų251.1 Ų51.12%0.01725%0.253CS..THydrogen-bonded Turntrans-86.4-9.8175.900000112.6L307 D312 D317 V318 Y530L307-A315 HydrophobicContact CD2-CB 4.06Å; D312-A315 PolarHBondContact O-N 3.49Å; A315-D317 PolarHBondContact O-N 3.14Å; A315-V318 WeakPolarHBondContact O-CB 3.29Å; A315-V318 WeakPolarHBondContact O-CG2 3.25Å; A315-V318 PolarHBondContact O-N 3.18Å; A315-Y530 HydrophobicContact CB-CE2 4.09Å
316K95.2Very high97.4Very high113 Ų11346 Ų4649%0.49123%0.229SC..THydrogen-bonded Turntrans-60124.9-176.8-171.2-177.9177.3178.30111.7D312 M313 V318D312-K316 PolarHBondContact O-N 3.33Å; M313-K316 HydrophobicContact CE-CD 4.46Å; M313-K316 WeakPolarHBondContact O-CB 3.44Å; M313-K316 PolarHBondContact O-N 2.87Å; M313-K316 HydrophobicContact SD-CD 4.13Å; K316-V318 PolarHBondContact O-N 3.28Å
317D95.3Very high97.3Very high74 Ų7444.7 Ų44.740%0.39623%0.228SC..THydrogen-bonded Turntrans57.421.3-177-36.4-50.1000114.2K276 A315 R430K276-D317 WeakPolarHBondContact CB-O 3.47Å; K276-D317 HydrophobicContact CD-CB 3.71Å; K276-D317 IonicContact NZ-OD2 3Å; K276-D317 PolarHBondContact NZ-OD2 3.34Å; A315-D317 PolarHBondContact O-N 3.14Å; D317-R430 PolarHBondContact O-NH2 3.21Å
318V98.1Very high97.2Very high9 Ų945.6 Ų45.66%0.05524%0.237CC..  trans-74.8128.7168.9174.90000110.2K276 M278 L307 A315 K316 R430 C533K276-V318 WeakPolarHBondContact O-CA 3.44Å; M278-V318 HydrophobicContact CE-CG1 3.99Å; L307-V318 HydrophobicContact CD2-CB 4.45Å; A315-V318 WeakPolarHBondContact O-CB 3.29Å; A315-V318 WeakPolarHBondContact O-CG2 3.25Å; A315-V318 PolarHBondContact O-N 3.18Å; K316-V318 PolarHBondContact O-N 3.28Å; V318-R430 PolarHBondContact O-NE 2.96Å; V318-R430 PolarHBondContact O-NH2 3.19Å; V318-C533 HydrophobicContact CG1-CB 4.04Å
319T98.6Very high97.1Very high0 Ų045.1 Ų45.10%025%0.245CC..EExtended strand (participates in β ladder)trans-113.5138173.6-67.10000108.8F272 K276 T277 M278 I321 R430 K432F272-T319 HydrophobicContact CB-CG2 4.37Å; F272-T319 WeakPolarHBondContact CB-OG1 3.5Å; F272-T319 HydrophobicContact CD2-CG2 3.94Å; F272-T319 HydrophobicContact CE2-CG2 4.39Å; F272-T319 HydrophobicContact CG-CG2 4.09Å; K276-T319 PolarHBondContact O-N 2.96Å; K276-T319 VanDerWaalsContact O-N 3.09Å; T277-T319 CarbonylContact C-O 3.41Å; T277-T319 VanDerWaalsContact CA-O 3.25Å; T277-T319 WeakPolarHBondContact CA-O 3.38Å; T277-T319 HydrophobicContact CG2-CG2 4.38Å; M278-T319 PolarHBondContact N-O 3.18Å; T319-I321 HydrophobicContact CG2-CG1 4.43Å; T319-R430 CarbonylContact C-O 3.6Å; T319-R430 VanDerWaalsContact CA-O 3.3Å; T319-R430 WeakPolarHBondContact CA-O 3.23Å; T319-R430 PolarHBondContact OG1-NH2 3.08Å; T319-K432 HydrophobicContact CG2-CD 4.01Å; T319-K432 HydrophobicContact CG2-CG 4.45Å
320V98.8Very high97Very high0 Ų042.9 Ų42.90%024%0.235CC..EExtended strand (participates in β ladder)trans-111.7130.2171.8175.10000108.1M278 F280 L303 L307 R430 V431 K432 C533M278-V320 CarbonylContact O-C 3.08Å; M278-V320 WeakPolarHBondContact O-CA 3.32Å; F280-V320 HydrophobicContact CB-CG1 4.19Å; F280-V320 HydrophobicContact CD1-CG1 4.34Å; F280-V320 HydrophobicContact CD2-CG1 3.5Å; F280-V320 HydrophobicContact CE2-CG1 3.87Å; F280-V320 HydrophobicContact CE2-CG2 4.16Å; F280-V320 HydrophobicContact CG-CG1 3.76Å; F280-V320 HydrophobicContact CZ-CG1 4.45Å; F280-V320 HydrophobicContact CZ-CG2 4.27Å; L303-V320 HydrophobicContact CD2-CG1 4.38Å; L303-V320 HydrophobicContact CD2-CG2 4.2Å; L307-V320 HydrophobicContact CD1-CG2 3.92Å; V320-R430 PolarHBondContact N-O 3.18Å; V320-V431 HydrophobicContact CB-CG2 4.21Å; V320-V431 CarbonylContact O-C 3.45Å; V320-V431 WeakPolarHBondContact O-CA 3.34Å; V320-K432 PolarHBondContact O-N 3.19Å; V320-C533 VanDerWaalsContact CG2-SG 3.52Å
321I98.8Very high96.7Very high0 Ų045.4 Ų45.40%025%0.253CS..EExtended strand (participates in β ladder)trans-109.4113.7166.8-63.7174.2000106.9V262 F266 F272 T277 M278 Y279 F280 T319 F323 K432 I434V262-I321 HydrophobicContact CB-CD1 4.36Å; V262-I321 HydrophobicContact CG1-CD1 3.45Å; V262-I321 VanDerWaalsContact CG1-CD1 3.45Å; V262-I321 HydrophobicContact CG2-CD1 3.91Å; F266-I321 HydrophobicContact CD2-CD1 4.24Å; F266-I321 HydrophobicContact CE2-CD1 3.69Å; F266-I321 HydrophobicContact CE2-CG1 4.25Å; F266-I321 HydrophobicContact CE2-CG2 4.29Å; F266-I321 HydrophobicContact CZ-CD1 4.34Å; F266-I321 HydrophobicContact CZ-CG1 4.45Å; F272-I321 HydrophobicContact CE2-CD1 3.8Å; F272-I321 HydrophobicContact CZ-CD1 3.87Å; T277-I321 HydrophobicContact CG2-CD1 3.85Å; T277-I321 HydrophobicContact CG2-CG1 4.02Å; M278-I321 PolarHBondContact O-N 2.98Å; Y279-I321 WeakPolarHBondContact CA-O 3.34Å; Y279-I321 HydrophobicContact CD1-CB 3.93Å; Y279-I321 HydrophobicContact CD1-CG2 4.42Å; Y279-I321 HydrophobicContact CE1-CB 4.07Å; Y279-I321 HydrophobicContact CE1-CD1 3.96Å; Y279-I321 HydrophobicContact CE1-CG1 4.45Å; F280-I321 PolarHBondContact N-O 2.73Å; T319-I321 HydrophobicContact CG2-CG1 4.43Å; I321-F323 HydrophobicContact CB-CE2 4.47Å; I321-F323 HydrophobicContact CG2-CD2 4.15Å; I321-F323 HydrophobicContact CG2-CE2 3.63Å; I321-F323 HydrophobicContact CG2-CZ 4.05Å; I321-K432 CarbonylContact C-O 3.56Å; I321-K432 WeakPolarHBondContact CA-O 3.35Å; I321-K432 HydrophobicContact CG1-CB 4.15Å; I321-K432 HydrophobicContact CG1-CD 4.4Å; I321-I434 HydrophobicContact CG2-CD1 3.9Å; I321-I434 HydrophobicContact CG2-CG1 4.19Å
322A98.9Very high96.6Very high0 Ų041.3 Ų41.30%023%0.23CC..EExtended strand (participates in β ladder)trans-99118.1-179.200000110.5F280 F296 L300 K432 V433 I434F280-A322 CarbonylContact O-C 3.52Å; F280-A322 VanDerWaalsContact O-CA 3.3Å; F280-A322 WeakPolarHBondContact O-CA 3.5Å; F296-A322 HydrophobicContact CZ-CB 4.1Å; L300-A322 HydrophobicContact CD1-CB 3.59Å; L300-A322 HydrophobicContact CD2-CB 3.71Å; L300-A322 HydrophobicContact CG-CB 4.33Å; A322-K432 PolarHBondContact N-O 3.48Å; A322-V433 HydrophobicContact CB-CG1 4.44Å; A322-V433 CarbonylContact O-C 3.54Å; A322-V433 WeakPolarHBondContact O-CA 3.39Å; A322-I434 PolarHBondContact O-N 3.38Å
323F98.8Very high96.6Very high1 Ų141.9 Ų41.90%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-94.1131.3175.7-69.7-96.7000110.9I258 F261 V262 Y279 F280 F281 T282 I321 I325 I434 I447 F454I258-F323 HydrophobicContact CG2-CE2 4.18Å; I258-F323 HydrophobicContact CG2-CZ 4Å; F261-F323 HydrophobicContact CD1-CE1 4.04Å; F261-F323 HydrophobicContact CD1-CZ 4.16Å; F261-F323 AromaticContact CE1-CE1 3.64Å; F261-F323 HydrophobicContact CE1-CE1 3.64Å; F261-F323 HydrophobicContact CE1-CZ 4.09Å; V262-F323 HydrophobicContact CG2-CZ 4.42Å; Y279-F323 AromaticContact CD1-CE2 3.8Å; Y279-F323 HydrophobicContact CD1-CE2 3.8Å; Y279-F323 HydrophobicContact CE1-CE2 4.46Å; Y279-F323 HydrophobicContact CG-CE2 4.44Å; F280-F323 PolarHBondContact O-N 3.28Å; F281-F323 CarbonylContact C-O 3.58Å; F281-F323 VanDerWaalsContact CA-O 3.23Å; F281-F323 WeakPolarHBondContact CA-O 3.33Å; F281-F323 HydrophobicContact CB-CB 3.95Å; T282-F323 PolarHBondContact N-O 3.11Å; I321-F323 HydrophobicContact CB-CE2 4.47Å; I321-F323 HydrophobicContact CG2-CD2 4.15Å; I321-F323 HydrophobicContact CG2-CE2 3.63Å; I321-F323 HydrophobicContact CG2-CZ 4.05Å; F323-I325 HydrophobicContact CB-CD1 4.03Å; F323-I325 HydrophobicContact CB-CG1 4.41Å; F323-I325 HydrophobicContact CD1-CD1 4.37Å; F323-I434 CarbonylContact C-O 3.53Å; F323-I434 WeakPolarHBondContact CA-O 3.31Å; F323-I434 HydrophobicContact CD1-CB 4.02Å; F323-I434 HydrophobicContact CD1-CD1 4.44Å; F323-I434 HydrophobicContact CD1-CG2 4.16Å; F323-I434 HydrophobicContact CE1-CB 4.25Å; F323-I434 HydrophobicContact CE1-CD1 3.83Å; F323-I434 HydrophobicContact CE1-CG2 4.27Å; F323-I434 HydrophobicContact CZ-CD1 4.03Å; F323-I447 HydrophobicContact CD1-CD1 4.39Å; F323-I447 HydrophobicContact CE1-CD1 4.03Å; F323-F454 HydrophobicContact CB-CE2 4.48Å; F323-F454 HydrophobicContact CB-CZ 3.69Å; F323-F454 AromaticContact CD1-CE2 3.95Å; F323-F454 HydrophobicContact CD1-CE2 3.95Å; F323-F454 AromaticContact CD1-CZ 4Å; F323-F454 HydrophobicContact CD1-CZ 4Å; F323-F454 HydrophobicContact CD2-CE2 4.14Å; F323-F454 AromaticContact CD2-CZ 3.94Å; F323-F454 HydrophobicContact CD2-CZ 3.94Å; F323-F454 HydrophobicContact CE1-CE2 4.12Å; F323-F454 HydrophobicContact CE2-CE2 4.32Å; F323-F454 AromaticContact CG-CE2 3.95Å; F323-F454 HydrophobicContact CG-CE2 3.95Å; F323-F454 AromaticContact CG-CZ 3.63Å; F323-F454 HydrophobicContact CG-CZ 3.63Å; F323-F454 HydrophobicContact CZ-CE2 4.32Å
324L98.6Very high96.6Very high0 Ų036.5 Ų36.50%021%0.205CC..EExtended strand (participates in β ladder)trans-110.3105170-62.190.4000107.5T282 F296 I297 V414 I434 F435 H436T282-L324 HydrophobicContact CG2-CB 4.29Å; T282-L324 HydrophobicContact CG2-CG 4.13Å; F296-L324 HydrophobicContact CE1-CG 4.44Å; I297-L324 HydrophobicContact CD1-CD2 3.93Å; I297-L324 HydrophobicContact CG1-CD2 3.94Å; L324-V414 HydrophobicContact CD2-CG1 3.87Å; L324-I434 PolarHBondContact N-O 3.2Å; L324-F435 HydrophobicContact CB-CD2 3.99Å; L324-F435 WeakPolarHBondContact O-CD2 3.49Å; L324-H436 PolarHBondContact O-N 3.42Å
325I98.1Very high96.5Very high7 Ų733.8 Ų33.84%0.03621%0.205CC..EExtended strand (participates in β ladder)trans-102.484.5-178.1-46.9-58.8000108.6T282 A283 G284 F323 H436 L440 F454T282-I325 PolarHBondContact O-N 3.33Å; A283-I325 WeakPolarHBondContact CA-O 3.41Å; A283-I325 HydrophobicContact CB-CB 3.99Å; G284-I325 PolarHBondContact N-O 3.39Å; F323-I325 HydrophobicContact CB-CD1 4.03Å; F323-I325 HydrophobicContact CB-CG1 4.41Å; F323-I325 HydrophobicContact CD1-CD1 4.37Å; I325-H436 HydrophobicContact CD1-CB 3.67Å; I325-L440 HydrophobicContact CD1-CD2 4.42Å; I325-L440 HydrophobicContact CG1-CD1 4.44Å; I325-L440 HydrophobicContact CG2-CD1 4.38Å; I325-L440 HydrophobicContact CG2-CG 4.15Å; I325-F454 HydrophobicContact CD1-CE1 4.44Å; I325-F454 HydrophobicContact CD1-CZ 4.24Å; I325-F454 HydrophobicContact CG1-CE1 4.06Å; I325-F454 HydrophobicContact CG1-CZ 4.3Å
326Y97.3Very high96.5Very high0 Ų036.1 Ų36.10%022%0.216CC..  trans-125.2102.3178.8-63.6-32000110.9T282 K291 A328 V414 H436 P437T282-Y326 HydrophobicContact CG2-CE1 4.09Å; T282-Y326 HydrophobicContact CG2-CE2 4.26Å; T282-Y326 WeakPolarHBondContact CG2-OH 3.27Å; T282-Y326 PolarHBondContact OG1-OH 3.48Å; K291-Y326 HydrophobicContact CB-CE1 4.34Å; Y326-A328 PolarHBondContact O-N 2.76Å; Y326-A328 VanDerWaalsContact O-N 3.16Å; Y326-V414 HydrophobicContact CD2-CG2 3.99Å; Y326-V414 HydrophobicContact CE2-CG2 4.34Å; Y326-H436 PolarHBondContact N-O 3.02Å; Y326-P437 WeakPolarHBondContact O-CA 3.3Å
327P96.7Very high96.5Very high31 Ų3130.7 Ų30.720%0.20119%0.192CC..  trans-52.7121.2177.5-25.334000111.7G284 Y286 P437 F439G284-P327 VanDerWaalsContact O-CD 3.27Å; G284-P327 WeakPolarHBondContact O-CD 3.25Å; Y286-P327 WeakPolarHBondContact CB-O 3.39Å; P327-P437 WeakPolarHBondContact CA-O 3.47Å; P327-F439 HydrophobicContact CB-CD2 4.08Å; P327-F439 HydrophobicContact CB-CE2 3.88Å; P327-F439 HydrophobicContact CB-CZ 4.17Å; P327-F439 HydrophobicContact CG-CD1 3.64Å; P327-F439 HydrophobicContact CG-CD2 3.76Å; P327-F439 HydrophobicContact CG-CE1 3.53Å; P327-F439 HydrophobicContact CG-CE2 3.64Å; P327-F439 HydrophobicContact CG-CG 3.77Å; P327-F439 HydrophobicContact CG-CZ 3.54Å
328A96.6Very high96.5Very high30 Ų3030.3 Ų30.325%0.24819%0.19CC..  trans-133.6175.3-172.500000112.1Y286 Y326 A330 M406 F435 P437Y286-A328 HydrophobicContact CD1-CB 3.34Å; Y286-A328 HydrophobicContact CE1-CB 3.37Å; Y326-A328 PolarHBondContact O-N 2.76Å; Y326-A328 VanDerWaalsContact O-N 3.16Å; A328-A330 PolarHBondContact O-N 3.49Å; A328-A330 VanDerWaalsContact O-N 3.1Å; A328-M406 HydrophobicContact CB-CE 3.38Å; A328-M406 HydrophobicContact CB-SD 4.23Å; A328-F435 HydrophobicContact CB-CZ 4.42Å; A328-P437 HydrophobicContact CB-CB 3.58Å; A328-P437 PolarHBondContact N-O 2.91Å
329S95.4Very high96.3Very high80 Ų8034.5 Ų34.556%0.55921%0.207SC*.  trans-75.199172.6-162.70000110.7N407S329-N407 PolarHBondContact O-N 2.95Å; S329-N407 PolarHBondContact OG-ND2 3.47Å
330A95.9Very high96.1Very high34 Ų3434.5 Ų34.528%0.28121%0.207SC..EExtended strand (participates in β ladder)trans-133.1154.9175.700000110.8A328 H404 N405 M406 P437A328-A330 PolarHBondContact O-N 3.49Å; A328-A330 VanDerWaalsContact O-N 3.1Å; A330-H404 HydrophobicContact CB-CB 3.96Å; A330-N405 WeakPolarHBondContact CA-O 3.41Å; A330-N405 WeakPolarHBondContact CB-O 3.5Å; A330-M406 HydrophobicContact CB-SD 4.11Å; A330-P437 HydrophobicContact CB-CG 4.26Å
331S90.7Very high95.9Very high90 Ų9036.1 Ų36.163%0.62922%0.215SC*.EExtended strand (participates in β ladder)trans-108.4-29.5-173.8550000114.4N405 N407S331-N405 PolarHBondContact N-O 2.98Å; S331-N405 VanDerWaalsContact N-O 3.16Å; S331-N407 WeakPolarHBondContact CB-OD1 3.46Å; S331-N407 PolarHBondContact N-OD1 3.19Å
332S93.6Very high95.7Very high55 Ų5538.9 Ų38.939%0.38524%0.238SC..EExtended strand (participates in β ladder)trans-161.8164.5-174.251.10000112H404 N405S332-H404 CarbonylContact O-C 3.19Å; S332-H404 VanDerWaalsContact O-CA 3.29Å; S332-H404 WeakPolarHBondContact O-CA 3.44Å; S332-H404 WeakPolarHBondContact O-CB 3.15Å; S332-N405 PolarHBondContact O-N 3.16Å; S332-N405 PolarHBondContact OG-ND2 2.97Å
333F96.5Very high95.5Very high50 Ų5039.9 Ų39.922%0.21924%0.244CC..EExtended strand (participates in β ladder)trans-67.4146.4170.8-61.1-62.6000111.6V335 L338 H404 N405 P445 L446F333-V335 PolarHBondContact O-N 3.25Å; F333-L338 HydrophobicContact CB-CD1 3.7Å; F333-L338 HydrophobicContact CB-CD2 4.22Å; F333-L338 HydrophobicContact CB-CG 3.78Å; F333-L338 HydrophobicContact CD2-CD1 4.33Å; F333-L338 HydrophobicContact CD2-CD2 4.19Å; F333-L338 HydrophobicContact CG-CD1 4.42Å; F333-L338 HydrophobicContact CG-CD2 4.31Å; F333-L338 HydrophobicContact CG-CG 4.4Å; F333-H404 AromaticContact CD1-CD2 3.63Å; F333-H404 AromaticContact CD1-CE1 3.68Å; F333-H404 AromaticContact CD1-NE2 3.25Å; F333-H404 WeakPolarHBondContact CD1-NE2 3.42Å; F333-H404 AromaticContact CE1-CD2 3.93Å; F333-H404 AromaticContact CE1-CE1 3.6Å; F333-H404 AromaticContact CE1-NE2 3.1Å; F333-H404 WeakPolarHBondContact CE1-NE2 3.41Å; F333-N405 PolarHBondContact O-ND2 3.5Å; F333-P445 HydrophobicContact CD2-CG 3.98Å; F333-P445 HydrophobicContact CE1-CG 4.49Å; F333-P445 HydrophobicContact CE2-CG 3.37Å; F333-P445 HydrophobicContact CZ-CG 3.68Å; F333-L446 HydrophobicContact CB-CD1 4.37Å; F333-L446 HydrophobicContact CD1-CD1 3.36Å; F333-L446 HydrophobicContact CD1-CG 3.93Å; F333-L446 HydrophobicContact CE1-CD1 3.91Å; F333-L446 HydrophobicContact CE1-CG 4.21Å; F333-L446 HydrophobicContact CG-CD1 4.09Å; F333-L446 HydrophobicContact CG-CG 4.42Å
334N95.3Very high95.3Very high34 Ų3440.9 Ų40.918%0.18225%0.252CS..  trans-63.7125.4169.5-174.8-38.8000108.9E336 S337 L338 C402 T403N334-E336 PolarHBondContact O-N 3.43Å; N334-E336 WeakPolarHBondContact OD1-CB 3.34Å; N334-E336 PolarHBondContact OD1-N 3.01Å; N334-S337 WeakPolarHBondContact O-CB 3.44Å; N334-S337 PolarHBondContact O-N 2.87Å; N334-L338 PolarHBondContact O-N 2.95Å; N334-L338 VanDerWaalsContact O-N 3.13Å; N334-C402 PolarHBondContact ND2-O 2.81Å; N334-T403 WeakPolarHBondContact CB-O 3.32Å; N334-T403 PolarHBondContact N-O 3.19Å
335V94.8Very high95Very high100 Ų10047.1 Ų47.161%0.60628%0.279SS*.Hα-helixtrans-56.1-37.6-178.3177.80000111.3F333 L338 K339F333-V335 PolarHBondContact O-N 3.25Å; V335-L338 PolarHBondContact O-N 3.06Å; V335-K339 VanDerWaalsContact O-CB 3.23Å; V335-K339 WeakPolarHBondContact O-CB 3.3Å; V335-K339 PolarHBondContact O-N 3.44Å
336E93.6Very high94.9Very high50 Ų5052.1 Ų52.123%0.23430%0.302CS..Hα-helixtrans-71-31.9179.3-71.4-59140.600113Y267 N334 K339 G340 R395 P400Y267-E336 PolarHBondContact OH-OE2 3.47Å; N334-E336 PolarHBondContact O-N 3.43Å; N334-E336 WeakPolarHBondContact OD1-CB 3.34Å; N334-E336 PolarHBondContact OD1-N 3.01Å; E336-K339 IonicContact OE1-NZ 3.86Å; E336-G340 PolarHBondContact O-N 3.49Å; E336-R395 IonicContact OE2-CZ 2.67Å; E336-R395 IonicContact OE2-NE 3.02Å; E336-R395 IonicContact OE2-NH1 2.93Å; E336-R395 IonicContact OE2-NH2 2.74Å; E336-P400 HydrophobicContact CB-CG 4.36Å
337S95.1Very high94.8Very high0 Ų054.9 Ų54.90%032%0.317CS..Hα-helixtrans-66.7-45.1172.4-71.60000111H265 N334 G340 Q341 P400H265-S337 PolarHBondContact CE1-OG 3.12Å; N334-S337 WeakPolarHBondContact O-CB 3.44Å; N334-S337 PolarHBondContact O-N 2.87Å; S337-G340 PolarHBondContact O-N 2.77Å; S337-Q341 WeakPolarHBondContact O-CG 3.34Å; S337-Q341 PolarHBondContact O-N 3.09Å; S337-P400 WeakPolarHBondContact OG-CG 3.29Å
338L95.5Very high94.7Very high66 Ų6659 Ų5935%0.34633%0.328SS..Hα-helixtrans-64.6-45.8176.6-73.6173.6000112.3F333 N334 V335 G340 Q341 A342 P445 L446F333-L338 HydrophobicContact CB-CD1 3.7Å; F333-L338 HydrophobicContact CB-CD2 4.22Å; F333-L338 HydrophobicContact CB-CG 3.78Å; F333-L338 HydrophobicContact CD2-CD1 4.33Å; F333-L338 HydrophobicContact CD2-CD2 4.19Å; F333-L338 HydrophobicContact CG-CD1 4.42Å; F333-L338 HydrophobicContact CG-CD2 4.31Å; F333-L338 HydrophobicContact CG-CG 4.4Å; N334-L338 PolarHBondContact O-N 2.95Å; N334-L338 VanDerWaalsContact O-N 3.13Å; V335-L338 PolarHBondContact O-N 3.06Å; L338-G340 VanDerWaalsContact C-N 3.29Å; L338-G340 PolarHBondContact O-N 2.78Å; L338-Q341 PolarHBondContact O-N 3.19Å; L338-A342 PolarHBondContact O-N 2.81Å; L338-P445 HydrophobicContact CD2-CB 4.25Å; L338-P445 HydrophobicContact CD2-CG 4.22Å; L338-L446 HydrophobicContact CD2-CD2 3.77Å; L338-L446 HydrophobicContact CD2-CG 4.36Å; L338-L446 HydrophobicContact CG-CD2 4.23Å
339K94.6Very high94.7Very high97 Ų9762.6 Ų62.642%0.42234%0.34SS..Hα-helixtrans-58.3-42.6178.1179.9179.3170.5-166.70111.4V335 E336 Q341 A342 V343V335-K339 VanDerWaalsContact O-CB 3.23Å; V335-K339 WeakPolarHBondContact O-CB 3.3Å; V335-K339 PolarHBondContact O-N 3.44Å; E336-K339 IonicContact OE1-NZ 3.86Å; K339-Q341 PolarHBondContact O-N 2.65Å; K339-A342 PolarHBondContact O-N 2.82Å; K339-V343 HydrophobicContact CG-CG2 4.4Å; K339-V343 WeakPolarHBondContact O-CG2 3.35Å; K339-V343 PolarHBondContact O-N 2.8Å
340G94.1Very high94.7Very high0 Ų059 Ų590%032%0.315CS..Hα-helixtrans-58.7-44.2176.200000113.2G264 E336 S337 L338 V343 A344G264-G340 WeakPolarHBondContact CA-O 3.42Å; G264-G340 CarbonylContact O-C 3.58Å; G264-G340 VanDerWaalsContact O-C 3.28Å; G264-G340 WeakPolarHBondContact O-CA 3.49Å; E336-G340 PolarHBondContact O-N 3.49Å; S337-G340 PolarHBondContact O-N 2.77Å; L338-G340 VanDerWaalsContact C-N 3.29Å; L338-G340 PolarHBondContact O-N 2.78Å; G340-V343 PolarHBondContact O-N 2.99Å; G340-A344 PolarHBondContact O-N 2.87Å
341Q95.4Very high94.7Very high33 Ų3360.8 Ų60.815%0.15432%0.322CS..Hα-helixtrans-63.2-42.5175-59.3-47.9-40.800112F261 S337 L338 K339 A344 K345 L446F261-Q341 VanDerWaalsContact CD2-NE2 3.32Å; F261-Q341 PolarHBondContact O-NE2 2.85Å; S337-Q341 WeakPolarHBondContact O-CG 3.34Å; S337-Q341 PolarHBondContact O-N 3.09Å; L338-Q341 PolarHBondContact O-N 3.19Å; K339-Q341 PolarHBondContact O-N 2.65Å; Q341-A344 PolarHBondContact O-N 2.94Å; Q341-K345 WeakPolarHBondContact O-CB 3.49Å; Q341-K345 PolarHBondContact O-N 3.49Å; Q341-L446 HydrophobicContact CG-CD2 3.97Å
342A94.9Very high95Very high59 Ų5959.3 Ų59.349%0.48831%0.312SS..Hα-helixtrans-63-43.5177.800000112.5L338 K339 K345 Q346L338-A342 PolarHBondContact O-N 2.81Å; K339-A342 PolarHBondContact O-N 2.82Å; A342-K345 PolarHBondContact O-N 3.19Å; A342-Q346 WeakPolarHBondContact O-CB 3.03Å; A342-Q346 PolarHBondContact O-N 3Å
343V94.1Very high95.2Very high21 Ų2163.4 Ų63.413%0.12732%0.319CS..Hα-helixtrans-62.1-46.7177.31690000111.1Y267 K339 G340 K345 Q346 L347Y267-V343 HydrophobicContact CD2-CG1 4.42Å; K339-V343 HydrophobicContact CG-CG2 4.4Å; K339-V343 WeakPolarHBondContact O-CG2 3.35Å; K339-V343 PolarHBondContact O-N 2.8Å; G340-V343 PolarHBondContact O-N 2.99Å; V343-K345 PolarHBondContact O-N 3.43Å; V343-Q346 PolarHBondContact O-N 3.42Å; V343-L347 WeakPolarHBondContact O-CB 3.27Å; V343-L347 PolarHBondContact O-N 2.97Å
344A93.8Very high95.2Very high21 Ų2161.4 Ų61.417%0.17431%0.31CS..Hα-helixtrans-63-42.2178.100000112G340 Q341 L347 R348G340-A344 PolarHBondContact O-N 2.87Å; Q341-A344 PolarHBondContact O-N 2.94Å; A344-L347 PolarHBondContact O-N 2.69Å; A344-R348 WeakPolarHBondContact O-CB 3.43Å; A344-R348 PolarHBondContact O-N 3.14Å
345K94.1Very high95.2Very high131 Ų13164.7 Ų64.757%0.5733%0.328SS*.Hα-helixtrans-61.1-49.2175.7-176.2179.6176.3-1790111.8Q341 A342 V343 L347 R348 E349Q341-K345 WeakPolarHBondContact O-CB 3.49Å; Q341-K345 PolarHBondContact O-N 3.49Å; A342-K345 PolarHBondContact O-N 3.19Å; V343-K345 PolarHBondContact O-N 3.43Å; K345-L347 VanDerWaalsContact C-N 3.32Å; K345-L347 PolarHBondContact O-N 2.78Å; K345-R348 WeakPolarHBondContact O-CB 3.49Å; K345-R348 PolarHBondContact O-N 3.2Å; K345-R348 VanDerWaalsContact O-N 3.16Å; K345-E349 WeakPolarHBondContact CE-OE1 3.15Å; K345-E349 WeakPolarHBondContact O-CG 2.8Å; K345-E349 PolarHBondContact O-N 2.95Å
346Q94.7Very high95.3Very high113 Ų11365 Ų6553%0.52833%0.326SS..Hα-helixtrans-61.1-40.4179-175.3-178.97.100112.3A342 V343 T350A342-Q346 WeakPolarHBondContact O-CB 3.03Å; A342-Q346 PolarHBondContact O-N 3Å; V343-Q346 PolarHBondContact O-N 3.42Å; Q346-T350 VanDerWaalsContact O-CB 3.32Å; Q346-T350 WeakPolarHBondContact O-CB 3.35Å; Q346-T350 PolarHBondContact O-N 3.09Å; Q346-T350 PolarHBondContact O-OG1 2.89Å
347L95Very high95.4Very high58 Ų5864.3 Ų64.330%0.30433%0.327SS..Hα-helixtrans-62.6-46.4174.7174.759.7000110.7V343 A344 K345 T350 V351 C389V343-L347 WeakPolarHBondContact O-CB 3.27Å; V343-L347 PolarHBondContact O-N 2.97Å; A344-L347 PolarHBondContact O-N 2.69Å; K345-L347 VanDerWaalsContact C-N 3.32Å; K345-L347 PolarHBondContact O-N 2.78Å; L347-T350 WeakPolarHBondContact O-CB 3.39Å; L347-T350 PolarHBondContact O-N 3.36Å; L347-V351 HydrophobicContact CD1-CG2 4.01Å; L347-V351 HydrophobicContact CG-CG2 4.48Å; L347-V351 VanDerWaalsContact O-CG2 3.3Å; L347-V351 WeakPolarHBondContact O-CG2 3.25Å; L347-V351 PolarHBondContact O-N 3.32Å; L347-C389 HydrophobicContact CD1-CB 3.63Å
348R94.7Very high95.5Very high116 Ų11666.3 Ų66.344%0.43834%0.337SS..Hα-helixtrans-60.2-47.1178.2-178.9176.5-63.1174.6-4.3112.7D260 A344 K345 T350 V351 S352D260-R348 VanDerWaalsContact CG-NH1 3.3Å; D260-R348 VanDerWaalsContact CG-NH2 3.26Å; D260-R348 IonicContact OD1-CZ 2.83Å; D260-R348 IonicContact OD1-NH1 2.62Å; D260-R348 PolarHBondContact OD1-NH1 2.85Å; D260-R348 IonicContact OD1-NH2 2.86Å; D260-R348 PolarHBondContact OD1-NH2 3.27Å; D260-R348 IonicContact OD2-CZ 3.69Å; D260-R348 IonicContact OD2-NH1 3.85Å; D260-R348 PolarHBondContact OD2-NH1 2.95Å; D260-R348 IonicContact OD2-NH2 3.65Å; A344-R348 WeakPolarHBondContact O-CB 3.43Å; A344-R348 PolarHBondContact O-N 3.14Å; K345-R348 WeakPolarHBondContact O-CB 3.49Å; K345-R348 PolarHBondContact O-N 3.2Å; K345-R348 VanDerWaalsContact O-N 3.16Å; R348-T350 VanDerWaalsContact C-N 3.31Å; R348-T350 PolarHBondContact O-N 2.96Å; R348-V351 PolarHBondContact O-N 3.12Å; R348-S352 WeakPolarHBondContact O-CB 3.21Å; R348-S352 PolarHBondContact O-N 3.32Å
349E96.4Very high95.5Very high107 Ų10765 Ų6550%0.534%0.339SS..Hα-helixtrans-62.5-40.4177.3-71.8172.8176.700111.6K345 S352 R353K345-E349 WeakPolarHBondContact CE-OE1 3.15Å; K345-E349 WeakPolarHBondContact O-CG 2.8Å; K345-E349 PolarHBondContact O-N 2.95Å; E349-S352 PolarHBondContact O-N 3.12Å; E349-R353 PolarHBondContact O-N 3.13Å
350T96.1Very high95.5Very high4 Ų466.2 Ų66.23%0.02535%0.346CS..Hα-helixtrans-61.6-48.1174.4-65.10000111.3Q346 L347 R348 R353 I354 Q385 L386Q346-T350 VanDerWaalsContact O-CB 3.32Å; Q346-T350 WeakPolarHBondContact O-CB 3.35Å; Q346-T350 PolarHBondContact O-N 3.09Å; Q346-T350 PolarHBondContact O-OG1 2.89Å; L347-T350 WeakPolarHBondContact O-CB 3.39Å; L347-T350 PolarHBondContact O-N 3.36Å; R348-T350 VanDerWaalsContact C-N 3.31Å; R348-T350 PolarHBondContact O-N 2.96Å; T350-R353 PolarHBondContact O-N 3.12Å; T350-I354 HydrophobicContact CG2-CD1 3.83Å; T350-I354 VanDerWaalsContact O-CG1 3.32Å; T350-I354 WeakPolarHBondContact O-CG1 3.37Å; T350-I354 PolarHBondContact O-N 3.19Å; T350-Q385 HydrophobicContact CG2-CG 3.82Å; T350-Q385 VanDerWaalsContact CG2-NE2 3.33Å; T350-Q385 PolarHBondContact OG1-NE2 3.44Å; T350-L386 HydrophobicContact CG2-CD2 4.34Å
351V96.7Very high95.6Very high71 Ų7168.5 Ų68.543%0.4336%0.355SS..Hα-helixtrans-62.8-42.3177.9169.90000111.2L347 R348 I354 N355 L386L347-V351 HydrophobicContact CD1-CG2 4.01Å; L347-V351 HydrophobicContact CG-CG2 4.48Å; L347-V351 VanDerWaalsContact O-CG2 3.3Å; L347-V351 WeakPolarHBondContact O-CG2 3.25Å; L347-V351 PolarHBondContact O-N 3.32Å; R348-V351 PolarHBondContact O-N 3.12Å; V351-I354 PolarHBondContact O-N 3.22Å; V351-N355 WeakPolarHBondContact O-CB 3.5Å; V351-N355 PolarHBondContact O-N 2.73Å; V351-L386 HydrophobicContact CG2-CD2 4.03Å
352S97Very high95.6Very high60 Ų6070.4 Ų70.442%0.4237%0.365SS..Hα-helixtrans-62-45178.5177.60000112.3R348 E349 I354 N355 N356R348-S352 WeakPolarHBondContact O-CB 3.21Å; R348-S352 PolarHBondContact O-N 3.32Å; E349-S352 PolarHBondContact O-N 3.12Å; S352-I354 PolarHBondContact O-N 2.89Å; S352-N355 WeakPolarHBondContact O-CB 3.06Å; S352-N355 PolarHBondContact O-N 3.38Å; S352-N356 PolarHBondContact O-N 2.83Å
353R96.4Very high95.7Very high141 Ų14173.6 Ų73.653%0.53237%0.368SS..Hα-helixtrans-61.6-44.6175.1173.1176.140.9173.4-17.8112.1E349 T350 N355 N356 S357E349-R353 PolarHBondContact O-N 3.13Å; T350-R353 PolarHBondContact O-N 3.12Å; R353-N355 VanDerWaalsContact C-N 3.31Å; R353-N356 PolarHBondContact O-N 3.49Å; R353-S357 WeakPolarHBondContact O-CB 3.21Å; R353-S357 PolarHBondContact O-N 2.66Å
354I96.5Very high95.8Very high8 Ų875.4 Ų75.44%0.04138%0.376CS..Hα-helixtrans-63.6-40.3176.8-68.8168.6000110.2T350 V351 S352 N356 S357 I358 L378 E382 L386T350-I354 HydrophobicContact CG2-CD1 3.83Å; T350-I354 VanDerWaalsContact O-CG1 3.32Å; T350-I354 WeakPolarHBondContact O-CG1 3.37Å; T350-I354 PolarHBondContact O-N 3.19Å; V351-I354 PolarHBondContact O-N 3.22Å; S352-I354 PolarHBondContact O-N 2.89Å; I354-N356 PolarHBondContact O-N 3.24Å; I354-S357 VanDerWaalsContact O-CB 3.31Å; I354-S357 WeakPolarHBondContact O-CB 3.42Å; I354-S357 PolarHBondContact O-N 3.25Å; I354-I358 HydrophobicContact CG2-CD1 3.62Å; I354-I358 HydrophobicContact CG2-CG1 4.18Å; I354-I358 WeakPolarHBondContact O-CB 3.44Å; I354-I358 VanDerWaalsContact O-CG1 3.26Å; I354-I358 WeakPolarHBondContact O-CG1 3.37Å; I354-I358 PolarHBondContact O-N 2.9Å; I354-L378 HydrophobicContact CG2-CD1 3.82Å; I354-E382 HydrophobicContact CD1-CB 4.03Å; I354-E382 HydrophobicContact CG1-CB 4.08Å; I354-E382 HydrophobicContact CG1-CG 4.09Å; I354-E382 HydrophobicContact CG2-CB 4.44Å; I354-L386 HydrophobicContact CD1-CD1 4.05Å; I354-L386 HydrophobicContact CD1-CD2 3.72Å; I354-L386 HydrophobicContact CD1-CG 3.61Å
355N96.1Very high95.9Very high102 Ų10275.9 Ų75.955%0.54538%0.377SS..Hα-helixtrans-61.2-43.5176.9-172.152.3000112.2V351 S352 R353 S357 I358 G359V351-N355 WeakPolarHBondContact O-CB 3.5Å; V351-N355 PolarHBondContact O-N 2.73Å; S352-N355 WeakPolarHBondContact O-CB 3.06Å; S352-N355 PolarHBondContact O-N 3.38Å; R353-N355 VanDerWaalsContact C-N 3.31Å; N355-S357 VanDerWaalsContact C-N 3.34Å; N355-S357 PolarHBondContact O-N 2.78Å; N355-I358 PolarHBondContact O-N 3.05Å; N355-G359 PolarHBondContact O-N 3.19Å
356N96.3Very high96Very high108 Ų10872.8 Ų72.858%0.57837%0.372SS*.Hα-helixtrans-63.5-41.2175.6-67.2-15000111.8S352 R353 I354 G359 H360S352-N356 PolarHBondContact O-N 2.83Å; R353-N356 PolarHBondContact O-N 3.49Å; I354-N356 PolarHBondContact O-N 3.24Å; N356-G359 PolarHBondContact O-N 3.27Å; N356-H360 PolarHBondContact O-N 3.28Å
357S95.9Very high96.1Very high35 Ų3572.6 Ų72.625%0.24537%0.374CS..Hα-helixtrans-61.5-46.2176.6-168.50000111.7R353 I354 N355 R361 E382R353-S357 WeakPolarHBondContact O-CB 3.21Å; R353-S357 PolarHBondContact O-N 2.66Å; I354-S357 VanDerWaalsContact O-CB 3.31Å; I354-S357 WeakPolarHBondContact O-CB 3.42Å; I354-S357 PolarHBondContact O-N 3.25Å; N355-S357 VanDerWaalsContact C-N 3.34Å; N355-S357 PolarHBondContact O-N 2.78Å; S357-R361 PolarHBondContact O-N 2.71Å; S357-R361 VanDerWaalsContact O-N 3.15Å; S357-R361 PolarHBondContact OG-NH1 3.14Å; S357-R361 PolarHBondContact OG-NH2 2.75Å; S357-R361 VanDerWaalsContact OG-NH2 3.16Å; S357-E382 VanDerWaalsContact CB-OE1 3.32Å; S357-E382 WeakPolarHBondContact CB-OE1 3.29Å; S357-E382 PolarHBondContact OG-OE1 3.02Å
358I96.5Very high96.1Very high42 Ų4277.8 Ų77.822%0.21539%0.389CS..Hα-helixtrans-62.2-47.7173.6-71.6169.9000110.4I354 N355 H360 R361 L362 L377 L378I354-I358 HydrophobicContact CG2-CD1 3.62Å; I354-I358 HydrophobicContact CG2-CG1 4.18Å; I354-I358 WeakPolarHBondContact O-CB 3.44Å; I354-I358 VanDerWaalsContact O-CG1 3.26Å; I354-I358 WeakPolarHBondContact O-CG1 3.37Å; I354-I358 PolarHBondContact O-N 2.9Å; N355-I358 PolarHBondContact O-N 3.05Å; I358-H360 VanDerWaalsContact C-N 3.32Å; I358-H360 PolarHBondContact O-N 3.16Å; I358-R361 PolarHBondContact O-N 2.92Å; I358-L362 VanDerWaalsContact O-CB 3.28Å; I358-L362 WeakPolarHBondContact O-CB 3.23Å; I358-L362 PolarHBondContact O-N 3.1Å; I358-L377 WeakPolarHBondContact CG1-O 3.35Å; I358-L377 HydrophobicContact CG2-CB 4.45Å; I358-L377 HydrophobicContact CG2-CD2 4.29Å; I358-L378 HydrophobicContact CD1-CD1 4.31Å
359G95.7Very high96.1Very high37 Ų3781.3 Ų81.338%0.38141%0.411SS..Hα-helixtrans-58.2-42.8-179.400000112.7N355 N356 L362 F363N355-G359 PolarHBondContact O-N 3.19Å; N356-G359 PolarHBondContact O-N 3.27Å; G359-L362 PolarHBondContact O-N 2.76Å; G359-F363 WeakPolarHBondContact O-CB 3.5Å; G359-F363 PolarHBondContact O-N 3.05Å
360H95.9Very high96Very high123 Ų12383.2 Ų83.257%0.56942%0.417SS*.Hα-helixtrans-63.8-47.9174.9-177.5-72.9000112.3N356 I358 L362 F363 E364N356-H360 PolarHBondContact O-N 3.28Å; I358-H360 VanDerWaalsContact C-N 3.32Å; I358-H360 PolarHBondContact O-N 3.16Å; H360-L362 VanDerWaalsContact C-N 3.32Å; H360-L362 PolarHBondContact O-N 2.74Å; H360-F363 PolarHBondContact O-N 3.46Å; H360-E364 PolarHBondContact O-N 3.41Å
361R95.4Very high95.9Very high49 Ų4991 Ų9119%0.18546%0.456CS..Hα-helixtrans-62.2-40.6177.9-76.8-170.1-71.7-79.5-0.2112.2S357 I358 E364 S365 E376 L377 E382S357-R361 PolarHBondContact O-N 2.71Å; S357-R361 VanDerWaalsContact O-N 3.15Å; S357-R361 PolarHBondContact OG-NH1 3.14Å; S357-R361 PolarHBondContact OG-NH2 2.75Å; S357-R361 VanDerWaalsContact OG-NH2 3.16Å; I358-R361 PolarHBondContact O-N 2.92Å; R361-E364 PolarHBondContact O-N 3.3Å; R361-S365 WeakPolarHBondContact O-CB 3.43Å; R361-S365 PolarHBondContact O-N 2.98Å; R361-S365 PolarHBondContact O-OG 3.3Å; R361-E376 VanDerWaalsContact CD-O 3.25Å; R361-E376 WeakPolarHBondContact CD-O 3.47Å; R361-E376 PolarHBondContact NE-O 3.34Å; R361-L377 HydrophobicContact CB-CD2 4.25Å; R361-L377 PolarHBondContact NE-O 3.05Å; R361-L377 PolarHBondContact NH2-O 3.5Å; R361-E382 IonicContact CZ-OE1 2.78Å; R361-E382 IonicContact CZ-OE2 3.13Å; R361-E382 IonicContact NH1-OE1 3.13Å; R361-E382 IonicContact NH2-OE1 2.71Å; R361-E382 PolarHBondContact NH2-OE1 3.04Å; R361-E382 IonicContact NH2-OE2 3.36Å; R361-E382 PolarHBondContact NH2-OE2 3.14Å
362L96.4Very high95.7Very high72 Ų7288.2 Ų88.238%0.37744%0.439SS..Hα-helixtrans-60.7-47.6177-177.461.7000110.9I358 G359 H360 S365 C366 P372 L377I358-L362 VanDerWaalsContact O-CB 3.28Å; I358-L362 WeakPolarHBondContact O-CB 3.23Å; I358-L362 PolarHBondContact O-N 3.1Å; G359-L362 PolarHBondContact O-N 2.76Å; H360-L362 VanDerWaalsContact C-N 3.32Å; H360-L362 PolarHBondContact O-N 2.74Å; L362-S365 PolarHBondContact O-N 3.15Å; L362-C366 WeakPolarHBondContact O-CB 3.31Å; L362-C366 PolarHBondContact O-N 3.16Å; L362-C366 PolarHBondContact O-SG 3.46Å; L362-P372 HydrophobicContact CD1-CG 3.62Å; L362-L377 HydrophobicContact CB-CD2 3.91Å; L362-L377 HydrophobicContact CD1-CD1 4.47Å; L362-L377 HydrophobicContact CD1-CD2 4.26Å
363F96.4Very high95.6Very high126 Ų12688 Ų8855%0.55344%0.437SS*.Hα-helixtrans-59.9-49.2177.2178.5-104000112.5G359 H360 S365 C366 L367G359-F363 WeakPolarHBondContact O-CB 3.5Å; G359-F363 PolarHBondContact O-N 3.05Å; H360-F363 PolarHBondContact O-N 3.46Å; F363-S365 PolarHBondContact O-N 3.47Å; F363-C366 PolarHBondContact O-N 3.34Å; F363-L367 HydrophobicContact CD1-CD1 3.89Å; F363-L367 HydrophobicContact CD1-CG 4.46Å; F363-L367 HydrophobicContact CE1-CD1 3.29Å; F363-L367 HydrophobicContact CE1-CG 4.07Å; F363-L367 HydrophobicContact CE2-CD1 4.31Å; F363-L367 HydrophobicContact CE2-CG 4.28Å; F363-L367 HydrophobicContact CZ-CD1 3.54Å; F363-L367 HydrophobicContact CZ-CD2 4.32Å; F363-L367 HydrophobicContact CZ-CG 3.97Å; F363-L367 PolarHBondContact O-N 3.2Å
364E96.2Very high95.3Very high60 Ų6087.4 Ų87.428%0.2844%0.444SS..Hα-helixtrans-60.4-43.5178.9-81.1-66.2131.300113.2H360 R361 L367 R368H360-E364 PolarHBondContact O-N 3.41Å; R361-E364 PolarHBondContact O-N 3.3Å; E364-L367 PolarHBondContact O-N 3.13Å; E364-R368 WeakPolarHBondContact O-CG 3.34Å; E364-R368 PolarHBondContact O-N 2.93Å; E364-R368 IonicContact OE2-CZ 3.72Å; E364-R368 IonicContact OE2-NE 3.57Å; E364-R368 IonicContact OE2-NH2 2.88Å; E364-R368 PolarHBondContact OE2-NH2 3.49Å
365S95.5Very high95.2Very high30 Ų3092.1 Ų92.121%0.2147%0.469CS..Hα-helixtrans-66.3-44.1178.1-68.10000111.4R361 L362 F363 L367 R368 E369 K370R361-S365 WeakPolarHBondContact O-CB 3.43Å; R361-S365 PolarHBondContact O-N 2.98Å; R361-S365 PolarHBondContact O-OG 3.3Å; L362-S365 PolarHBondContact O-N 3.15Å; F363-S365 PolarHBondContact O-N 3.47Å; S365-L367 PolarHBondContact O-N 2.74Å; S365-R368 CarbonylContact O-C 3.54Å; S365-R368 PolarHBondContact O-N 2.67Å; S365-E369 PolarHBondContact O-N 3.23Å; S365-K370 CarbonylContact C-O 3.09Å; S365-K370 WeakPolarHBondContact CB-O 3.24Å; S365-K370 PolarHBondContact O-N 3.3Å
366C96.1Very high95Very high67 Ų6792.4 Ų92.445%0.45347%0.467SS..Hα-helixtrans-64.8-36177.8-71.40000112.7L362 F363 R368 E369L362-C366 WeakPolarHBondContact O-CB 3.31Å; L362-C366 PolarHBondContact O-N 3.16Å; L362-C366 PolarHBondContact O-SG 3.46Å; F363-C366 PolarHBondContact O-N 3.34Å; C366-R368 PolarHBondContact O-N 2.99Å; C366-E369 PolarHBondContact O-N 3.24Å
367L96.2Very high94.9Very high109 Ų10988.6 Ų88.657%0.57145%0.447SS*.Hα-helixtrans-61-26.6172.6-85.3-179.1000113.1F363 E364 S365 E369F363-L367 HydrophobicContact CD1-CD1 3.89Å; F363-L367 HydrophobicContact CD1-CG 4.46Å; F363-L367 HydrophobicContact CE1-CD1 3.29Å; F363-L367 HydrophobicContact CE1-CG 4.07Å; F363-L367 HydrophobicContact CE2-CD1 4.31Å; F363-L367 HydrophobicContact CE2-CG 4.28Å; F363-L367 HydrophobicContact CZ-CD1 3.54Å; F363-L367 HydrophobicContact CZ-CD2 4.32Å; F363-L367 HydrophobicContact CZ-CG 3.97Å; F363-L367 PolarHBondContact O-N 3.2Å; E364-L367 PolarHBondContact O-N 3.13Å; S365-L367 PolarHBondContact O-N 2.74Å; L367-E369 VanDerWaalsContact C-N 3.27Å
368R95.8Very high94.9Very high166 Ų16688.6 Ų88.663%0.62644%0.444SS*.THydrogen-bonded Turntrans-92.814.7176.7-61.9173.1-165.31777.5112.5E364 S365 C366 K370E364-R368 WeakPolarHBondContact O-CG 3.34Å; E364-R368 PolarHBondContact O-N 2.93Å; E364-R368 IonicContact OE2-CZ 3.72Å; E364-R368 IonicContact OE2-NE 3.57Å; E364-R368 IonicContact OE2-NH2 2.88Å; E364-R368 PolarHBondContact OE2-NH2 3.49Å; S365-R368 CarbonylContact O-C 3.54Å; S365-R368 PolarHBondContact O-N 2.67Å; C366-R368 PolarHBondContact O-N 2.99Å; R368-K370 PolarHBondContact O-N 3.34Å; R368-K370 VanDerWaalsContact O-N 3.16Å
369E94.2Very high94.8Very high190 Ų19089.7 Ų89.789%0.88845%0.45SS*.THydrogen-bonded Turntrans57.327.2-177.6-55.317917500113S365 C366 L367S365-E369 PolarHBondContact O-N 3.23Å; C366-E369 PolarHBondContact O-N 3.24Å; L367-E369 VanDerWaalsContact C-N 3.27Å
370K94.1Very high94.8Very high148 Ų14892.5 Ų92.564%0.64346%0.461SS*.  trans-113.7125.7178.1-70-178-177.8-174.40110.2S365 R368 P372S365-K370 CarbonylContact C-O 3.09Å; S365-K370 WeakPolarHBondContact CB-O 3.24Å; S365-K370 PolarHBondContact O-N 3.3Å; R368-K370 PolarHBondContact O-N 3.34Å; R368-K370 VanDerWaalsContact O-N 3.16Å; K370-P372 VanDerWaalsContact O-CD 3.31Å; K370-P372 WeakPolarHBondContact O-CD 3.28Å
371M94.3Very high94.8Very high168 Ų16890.3 Ų90.383%0.82847%0.465SS*.  trans-74.7115.9167.4-178.965.993.900108.8
372P92.7Very high94.8Very high12 Ų1288.9 Ų88.98%0.07846%0.46CS..  trans-72.2147.5178.929.7-33.3000111.6L362 K370 E376 L377L362-P372 HydrophobicContact CD1-CG 3.62Å; K370-P372 VanDerWaalsContact O-CD 3.31Å; K370-P372 WeakPolarHBondContact O-CD 3.28Å; P372-E376 VanDerWaalsContact CA-OE2 3.27Å; P372-E376 WeakPolarHBondContact CA-OE2 3.16Å; P372-E376 HydrophobicContact CB-CB 4.39Å; P372-L377 HydrophobicContact CB-CD2 3.97Å; P372-L377 HydrophobicContact CB-CG 4Å; P372-L377 HydrophobicContact CG-CD1 4.15Å; P372-L377 HydrophobicContact CG-CD2 3.7Å; P372-L377 HydrophobicContact CG-CG 3.96Å
373S94.2Very high94.7Very high55 Ų5588.6 Ų88.639%0.38546%0.456SS..  trans-78162.6171.570.10000112.1D375 E376 L377S373-D375 PolarHBondContact O-N 3.31Å; S373-E376 PolarHBondContact N-OE2 3.21Å; S373-E376 PolarHBondContact O-N 3.23Å; S373-E376 VanDerWaalsContact O-N 3.15Å; S373-E376 WeakPolarHBondContact OG-CG 3.47Å; S373-E376 PolarHBondContact OG-N 3.15Å; S373-E376 PolarHBondContact OG-OE2 3.3Å; S373-L377 WeakPolarHBondContact O-CG 3.35Å; S373-L377 PolarHBondContact O-N 3.18Å
374L91.6Very high94.7Very high129 Ų12986.6 Ų86.668%0.67545%0.454SS*.Hα-helixtrans-60.1-32.5176.8-175.164.9000112.6L377 L378L374-L377 PolarHBondContact O-N 3.2Å; L374-L378 PolarHBondContact O-N 2.88Å
375D93Very high94.7Very high106 Ų10686.4 Ų86.457%0.56745%0.453SS*.Hα-helixtrans-75.8-28178.4-71.4-37.4000113S373 K383S373-D375 PolarHBondContact O-N 3.31Å; D375-K383 IonicContact OD1-NZ 3.87Å; D375-K383 PolarHBondContact OD1-NZ 3.21Å
376E92.1Very high94.7Very high109 Ų10987 Ų8751%0.50945%0.453SS..Hα-helixtrans-74.3-34.6169.7-70.8169.7154.400111.4R361 P372 S373R361-E376 VanDerWaalsContact CD-O 3.25Å; R361-E376 WeakPolarHBondContact CD-O 3.47Å; R361-E376 PolarHBondContact NE-O 3.34Å; P372-E376 VanDerWaalsContact CA-OE2 3.27Å; P372-E376 WeakPolarHBondContact CA-OE2 3.16Å; P372-E376 HydrophobicContact CB-CB 4.39Å; S373-E376 PolarHBondContact N-OE2 3.21Å; S373-E376 PolarHBondContact O-N 3.23Å; S373-E376 VanDerWaalsContact O-N 3.15Å; S373-E376 WeakPolarHBondContact OG-CG 3.47Å; S373-E376 PolarHBondContact OG-N 3.15Å; S373-E376 PolarHBondContact OG-OE2 3.3Å
377L94.7Very high94.6Very high28 Ų2890.4 Ų90.415%0.14746%0.46CS..Hα-helixtrans-74.7-48.7178.2-71.3176.8000112.2I358 R361 L362 P372 S373 L374I358-L377 WeakPolarHBondContact CG1-O 3.35Å; I358-L377 HydrophobicContact CG2-CB 4.45Å; I358-L377 HydrophobicContact CG2-CD2 4.29Å; R361-L377 HydrophobicContact CB-CD2 4.25Å; R361-L377 PolarHBondContact NE-O 3.05Å; R361-L377 PolarHBondContact NH2-O 3.5Å; L362-L377 HydrophobicContact CB-CD2 3.91Å; L362-L377 HydrophobicContact CD1-CD1 4.47Å; L362-L377 HydrophobicContact CD1-CD2 4.26Å; P372-L377 HydrophobicContact CB-CD2 3.97Å; P372-L377 HydrophobicContact CB-CG 4Å; P372-L377 HydrophobicContact CG-CD1 4.15Å; P372-L377 HydrophobicContact CG-CD2 3.7Å; P372-L377 HydrophobicContact CG-CG 3.96Å; S373-L377 WeakPolarHBondContact O-CG 3.35Å; S373-L377 PolarHBondContact O-N 3.18Å; L374-L377 PolarHBondContact O-N 3.2Å
378L95.4Very high94.6Very high34 Ų3494 Ų9418%0.17847%0.466CS..SBendtrans-107.199.2-177.2-175.965.5000110.7I354 I358 L374 E382 K383 L386I354-L378 HydrophobicContact CG2-CD1 3.82Å; I358-L378 HydrophobicContact CD1-CD1 4.31Å; L374-L378 PolarHBondContact O-N 2.88Å; L378-E382 HydrophobicContact CD1-CB 3.88Å; L378-K383 HydrophobicContact CD2-CD 4.42Å; L378-K383 HydrophobicContact CD2-CG 3.71Å; L378-K383 HydrophobicContact CG-CG 3.7Å; L378-K383 VanDerWaalsContact O-CE 3.26Å; L378-K383 WeakPolarHBondContact O-CE 3.41Å; L378-L386 HydrophobicContact CD1-CD1 4.14Å
379L95.2Very high94.5Very high66 Ų6686.7 Ų86.735%0.34644%0.44SS..  trans-68.8152.1-171.9-59.7178.7000111.9A381 E382 K383L379-A381 VanDerWaalsContact C-N 3.27Å; L379-A381 PolarHBondContact O-N 3.48Å; L379-E382 HydrophobicContact CB-CG 4.19Å; L379-E382 PolarHBondContact N-OE2 2.71Å; L379-E382 WeakPolarHBondContact O-CB 3.37Å; L379-E382 PolarHBondContact O-N 3.06Å; L379-K383 PolarHBondContact O-N 2.88Å
380P95.4Very high94.4Very high95 Ų9582.2 Ų82.262%0.61742%0.422SS*.Hα-helixtrans-53.3-39.7179-28.835.4000114.3K383 V384P380-K383 WeakPolarHBondContact O-CB 3.37Å; P380-K383 PolarHBondContact O-N 3.02Å; P380-V384 WeakPolarHBondContact O-CG2 3.16Å; P380-V384 PolarHBondContact O-N 3.21Å
381A94.9Very high94.3Very high78 Ų7880.4 Ų80.465%0.64542%0.419SS*.Hα-helixtrans-64.3-39.1176.900000112.5L379 V384 Q385L379-A381 VanDerWaalsContact C-N 3.27Å; L379-A381 PolarHBondContact O-N 3.48Å; A381-V384 PolarHBondContact O-N 3.47Å; A381-Q385 PolarHBondContact O-N 3.01Å
382E96Very high94Very high19 Ų1975 Ų759%0.08940%0.401CS..Hα-helixtrans-68.1-40.2176.6-62170.7154.300110.6I354 S357 R361 L378 L379 V384 Q385 L386I354-E382 HydrophobicContact CD1-CB 4.03Å; I354-E382 HydrophobicContact CG1-CB 4.08Å; I354-E382 HydrophobicContact CG1-CG 4.09Å; I354-E382 HydrophobicContact CG2-CB 4.44Å; S357-E382 VanDerWaalsContact CB-OE1 3.32Å; S357-E382 WeakPolarHBondContact CB-OE1 3.29Å; S357-E382 PolarHBondContact OG-OE1 3.02Å; R361-E382 IonicContact CZ-OE1 2.78Å; R361-E382 IonicContact CZ-OE2 3.13Å; R361-E382 IonicContact NH1-OE1 3.13Å; R361-E382 IonicContact NH2-OE1 2.71Å; R361-E382 PolarHBondContact NH2-OE1 3.04Å; R361-E382 IonicContact NH2-OE2 3.36Å; R361-E382 PolarHBondContact NH2-OE2 3.14Å; L378-E382 HydrophobicContact CD1-CB 3.88Å; L379-E382 HydrophobicContact CB-CG 4.19Å; L379-E382 PolarHBondContact N-OE2 2.71Å; L379-E382 WeakPolarHBondContact O-CB 3.37Å; L379-E382 PolarHBondContact O-N 3.06Å; E382-V384 PolarHBondContact O-N 3.29Å; E382-Q385 PolarHBondContact O-N 3.23Å; E382-L386 WeakPolarHBondContact O-CG 2.99Å; E382-L386 PolarHBondContact O-N 3.43Å
383K95.6Very high93.8Very high66 Ų6675.9 Ų75.929%0.28741%0.407SS..Hα-helixtrans-58.2-45.8171.9-65.9-178.5-179.9170.60111.6D375 L378 L379 P380 Q385 L386 K387D375-K383 IonicContact OD1-NZ 3.87Å; D375-K383 PolarHBondContact OD1-NZ 3.21Å; L378-K383 HydrophobicContact CD2-CD 4.42Å; L378-K383 HydrophobicContact CD2-CG 3.71Å; L378-K383 HydrophobicContact CG-CG 3.7Å; L378-K383 VanDerWaalsContact O-CE 3.26Å; L378-K383 WeakPolarHBondContact O-CE 3.41Å; L379-K383 PolarHBondContact O-N 2.88Å; P380-K383 WeakPolarHBondContact O-CB 3.37Å; P380-K383 PolarHBondContact O-N 3.02Å; K383-Q385 VanDerWaalsContact C-N 3.33Å; K383-L386 PolarHBondContact O-N 3.34Å; K383-K387 WeakPolarHBondContact O-CG 3.43Å; K383-K387 PolarHBondContact O-N 3.44Å
384V96.1Very high93.6Very high84 Ų8480.1 Ų80.151%0.50942%0.418SS..Hα-helixtrans-62.3-42.1177.1170.80000111P380 A381 E382 K387 R388P380-V384 WeakPolarHBondContact O-CG2 3.16Å; P380-V384 PolarHBondContact O-N 3.21Å; A381-V384 PolarHBondContact O-N 3.47Å; E382-V384 PolarHBondContact O-N 3.29Å; V384-K387 PolarHBondContact O-N 2.63Å; V384-R388 WeakPolarHBondContact O-CG 2.97Å; V384-R388 PolarHBondContact O-N 3.15Å
385Q94.8Very high93.4Very high55 Ų5575.5 Ų75.526%0.25739%0.392SS..Hα-helixtrans-64-44.6178-168.4179.8-9.400112.1T350 A381 E382 K383 K387 R388 C389T350-Q385 HydrophobicContact CG2-CG 3.82Å; T350-Q385 VanDerWaalsContact CG2-NE2 3.33Å; T350-Q385 PolarHBondContact OG1-NE2 3.44Å; A381-Q385 PolarHBondContact O-N 3.01Å; E382-Q385 PolarHBondContact O-N 3.23Å; K383-Q385 VanDerWaalsContact C-N 3.33Å; Q385-K387 PolarHBondContact O-N 2.99Å; Q385-R388 WeakPolarHBondContact O-CB 3.32Å; Q385-R388 PolarHBondContact O-N 3.23Å; Q385-C389 PolarHBondContact O-N 3.06Å; Q385-C389 PolarHBondContact O-SG 3.44Å; Q385-C389 VanDerWaalsContact O-SG 3.41Å
386L95.5Very high93.1Very high42 Ų4278.4 Ų78.422%0.2241%0.408CS..Hα-helixtrans-60.3-44.3174.6-71.3172.1000111.6T350 V351 I354 L378 E382 K383 R388 C389 I390T350-L386 HydrophobicContact CG2-CD2 4.34Å; V351-L386 HydrophobicContact CG2-CD2 4.03Å; I354-L386 HydrophobicContact CD1-CD1 4.05Å; I354-L386 HydrophobicContact CD1-CD2 3.72Å; I354-L386 HydrophobicContact CD1-CG 3.61Å; L378-L386 HydrophobicContact CD1-CD1 4.14Å; E382-L386 WeakPolarHBondContact O-CG 2.99Å; E382-L386 PolarHBondContact O-N 3.43Å; K383-L386 PolarHBondContact O-N 3.34Å; L386-R388 VanDerWaalsContact C-N 3.29Å; L386-R388 PolarHBondContact O-N 3.37Å; L386-C389 PolarHBondContact O-N 3.02Å; L386-C389 VanDerWaalsContact O-N 3.16Å; L386-I390 WeakPolarHBondContact O-CG1 3.43Å; L386-I390 PolarHBondContact O-N 3.49Å
387K95.7Very high93.1Very high139 Ų13976.1 Ų76.160%0.60440%0.404SS*.Hα-helixtrans-58.6-40.7174.9-73.4179.7-176.7-1750112K383 V384 Q385 I390 L391K383-K387 WeakPolarHBondContact O-CG 3.43Å; K383-K387 PolarHBondContact O-N 3.44Å; V384-K387 PolarHBondContact O-N 2.63Å; Q385-K387 PolarHBondContact O-N 2.99Å; K387-I390 PolarHBondContact O-N 3.33Å; K387-L391 WeakPolarHBondContact O-CG 3.46Å; K387-L391 PolarHBondContact O-N 2.86Å
388R94.7Very high93.1Very high185 Ų18580.7 Ų80.770%0.69842%0.419SS*.Hα-helixtrans-61.6-44.2174.7-78.7179.2149.9-173.1-6.4112V384 Q385 L386 L391 A392V384-R388 WeakPolarHBondContact O-CG 2.97Å; V384-R388 PolarHBondContact O-N 3.15Å; Q385-R388 WeakPolarHBondContact O-CB 3.32Å; Q385-R388 PolarHBondContact O-N 3.23Å; L386-R388 VanDerWaalsContact C-N 3.29Å; L386-R388 PolarHBondContact O-N 3.37Å; R388-L391 PolarHBondContact O-N 2.86Å; R388-A392 WeakPolarHBondContact O-CB 3.31Å; R388-A392 PolarHBondContact O-N 3.09Å
389C93.9Very high93.2Very high12 Ų1279.2 Ų79.28%0.08141%0.411CS..Hα-helixtrans-62.6-42.4176-62.60000112.1L347 Q385 L386 L391 A392 S393L347-C389 HydrophobicContact CD1-CB 3.63Å; Q385-C389 PolarHBondContact O-N 3.06Å; Q385-C389 PolarHBondContact O-SG 3.44Å; Q385-C389 VanDerWaalsContact O-SG 3.41Å; L386-C389 PolarHBondContact O-N 3.02Å; L386-C389 VanDerWaalsContact O-N 3.16Å; C389-L391 VanDerWaalsContact C-N 3.34Å; C389-L391 PolarHBondContact O-N 2.68Å; C389-A392 PolarHBondContact O-N 2.99Å; C389-S393 PolarHBondContact O-N 3.26Å; C389-S393 PolarHBondContact O-OG 3.41Å
390I92.6Very high93.3Very high97 Ų9776.7 Ų76.750%0.49740%0.399SS..Hα-helixtrans-62-41176.9-67164000111.4L386 K387 S393L386-I390 WeakPolarHBondContact O-CG1 3.43Å; L386-I390 PolarHBondContact O-N 3.49Å; K387-I390 PolarHBondContact O-N 3.33Å; I390-S393 PolarHBondContact O-N 3.49Å; I390-S393 PolarHBondContact O-OG 2.58Å
391L92Very high93.4Very high110 Ų11073.6 Ų73.658%0.57638%0.377SS*.Hα-helixtrans-68.5-39176.6-70.4172.9000111.7K387 R388 C389 S393 K394K387-L391 WeakPolarHBondContact O-CG 3.46Å; K387-L391 PolarHBondContact O-N 2.86Å; R388-L391 PolarHBondContact O-N 2.86Å; C389-L391 VanDerWaalsContact C-N 3.34Å; C389-L391 PolarHBondContact O-N 2.68Å; L391-S393 PolarHBondContact O-N 3.2Å; L391-K394 HydrophobicContact CD2-CD 4.35Å; L391-K394 WeakPolarHBondContact O-CB 3.34Å; L391-K394 PolarHBondContact O-N 3.12Å
392A88.7Confident93.5Very high54 Ų5470.3 Ų70.345%0.44635%0.349SS..Hα-helixtrans-67.7-23.8176.500000113.2R388 C389 K394R388-A392 WeakPolarHBondContact O-CB 3.31Å; R388-A392 PolarHBondContact O-N 3.09Å; C389-A392 PolarHBondContact O-N 2.99Å; A392-K394 VanDerWaalsContact C-N 3.32Å
393S88.6Confident93.6Very high30 Ų3069.4 Ų69.421%0.2135%0.345CS..THydrogen-bonded Turntrans-82.9-2.6175.663.90000114.6G268 C389 I390 L391G268-S393 WeakPolarHBondContact CA-O 3.42Å; G268-S393 PolarHBondContact N-O 3.3Å; G268-S393 VanDerWaalsContact N-O 3.17Å; C389-S393 PolarHBondContact O-N 3.26Å; C389-S393 PolarHBondContact O-OG 3.41Å; I390-S393 PolarHBondContact O-N 3.49Å; I390-S393 PolarHBondContact O-OG 2.58Å; L391-S393 PolarHBondContact O-N 3.2Å
394K88.9Confident93.7Very high144 Ų14466.9 Ų66.963%0.62633%0.334SS*.  trans-74.2144.9175.2-69.2-174174.5-173.60110.7L391 A392L391-K394 HydrophobicContact CD2-CD 4.35Å; L391-K394 WeakPolarHBondContact O-CB 3.34Å; L391-K394 PolarHBondContact O-N 3.12Å; A392-K394 VanDerWaalsContact C-N 3.32Å
395R87.7Confident93.8Very high32 Ų3265.9 Ų65.912%0.12133%0.326CS..  trans-146.6138.5-178.1-172.6-174.7172.4157.1-1.5109.7Y267 E336 S397 W398Y267-R395 VanDerWaalsContact CE1-NH1 3.34Å; Y267-R395 HydrophobicContact CE2-CB 4.01Å; Y267-R395 HydrophobicContact CE2-CG 4.36Å; E336-R395 IonicContact OE2-CZ 2.67Å; E336-R395 IonicContact OE2-NE 3.02Å; E336-R395 IonicContact OE2-NH1 2.93Å; E336-R395 IonicContact OE2-NH2 2.74Å; R395-S397 WeakPolarHBondContact CD-O 3.34Å; R395-S397 VanDerWaalsContact CG-O 3.31Å; R395-S397 WeakPolarHBondContact CG-O 3.48Å; R395-S397 PolarHBondContact NE-O 2.88Å; R395-S397 PolarHBondContact NE-OG 3.2Å; R395-S397 PolarHBondContact NH2-OG 2.77Å; R395-S397 VanDerWaalsContact NH2-OG 3.14Å; R395-W398 PolarHBondContact NH2-O 3.15Å
396D86.3Confident93.9Very high168 Ų16864.1 Ų64.190%0.89832%0.318SS*.SBendtrans-92.9-29.4178.7-60.1-38.7000112.8
397S93.1Very high94Very high61 Ų6166.7 Ų66.743%0.42733%0.332SS..SBendtrans-87.8146.8177.7620000111.6H269 R395H269-S397 PolarHBondContact NE2-O 3.46Å; R395-S397 WeakPolarHBondContact CD-O 3.34Å; R395-S397 VanDerWaalsContact CG-O 3.31Å; R395-S397 WeakPolarHBondContact CG-O 3.48Å; R395-S397 PolarHBondContact NE-O 2.88Å; R395-S397 PolarHBondContact NE-OG 3.2Å; R395-S397 PolarHBondContact NH2-OG 2.77Å; R395-S397 VanDerWaalsContact NH2-OG 3.14Å
398W94.7Very high94Very high123 Ų12364.1 Ų64.147%0.46633%0.325SS..PPolyproline II helixtrans-62.7155.1175.6-59.1-36.1000112.4H269 R395 F424 R426H269-W398 AromaticContact CE1-CD1 3.93Å; R395-W398 PolarHBondContact NH2-O 3.15Å; W398-F424 HydrophobicContact CE3-CB 3.87Å; W398-F424 HydrophobicContact CZ3-CB 3.96Å; W398-F424 HydrophobicContact CZ3-CD2 4.48Å; W398-F424 HydrophobicContact CZ3-CG 4.37Å; W398-R426 HydrophobicContact CD2-CG 4.24Å; W398-R426 HydrophobicContact CE3-CG 4.34Å; W398-R426 HydrophobicContact CH2-CG 4.14Å; W398-R426 HydrophobicContact CZ2-CG 4Å; W398-R426 HydrophobicContact CZ3-CG 4.3Å
399P96.7Very high94.1Very high3 Ų358.3 Ų58.32%0.01931%0.308CS..PPolyproline II helixtrans-55.5136.2176.3-2738.7000111.5F266 H269 I401 N425F266-P399 HydrophobicContact CD1-CB 3.68Å; F266-P399 HydrophobicContact CD1-CG 3.66Å; F266-P399 HydrophobicContact CE1-CB 3.97Å; F266-P399 HydrophobicContact CE1-CG 4.28Å; F266-P399 HydrophobicContact CG-CB 4.43Å; F266-P399 HydrophobicContact CG-CG 4.47Å; H269-P399 HydrophobicContact CB-CG 3.57Å; P399-I401 PolarHBondContact O-N 2.89Å; P399-N425 HydrophobicContact CB-CB 4.34Å; P399-N425 PolarHBondContact O-ND2 2.97Å
400P96.5Very high94.2Very high14 Ų1461.6 Ų61.69%0.09133%0.331CS..PPolyproline II helixtrans-64.6139.9-173.827.7-33.6000110.5H265 E336 S337H265-P400 PolarHBondContact CE1-O 3.31Å; H265-P400 PolarHBondContact NE2-O 3.47Å; E336-P400 HydrophobicContact CB-CG 4.36Å; S337-P400 WeakPolarHBondContact OG-CG 3.29Å
401I97.7Very high94.4Very high30 Ų3061.1 Ų61.115%0.15433%0.329CS..SBendtrans-72.6-46.7173.5-65.6171.5000109.8P399 L415 L418 L423 F424 V433 I434 F435P399-I401 PolarHBondContact O-N 2.89Å; I401-L415 HydrophobicContact CG2-CD2 4.09Å; I401-L418 HydrophobicContact CG2-CD1 3.45Å; I401-L418 VanDerWaalsContact CG2-CD1 3.45Å; I401-L423 WeakPolarHBondContact CD1-O 3.37Å; I401-F424 HydrophobicContact CD1-CD1 4.03Å; I401-V433 HydrophobicContact CG1-CG2 4.27Å; I401-V433 HydrophobicContact CG2-CG2 4.13Å; I401-I434 CarbonylContact O-C 3.28Å; I401-I434 WeakPolarHBondContact O-CA 3.35Å; I401-F435 PolarHBondContact O-N 3.32Å
402C98.1Very high94.7Very high9 Ų956.4 Ų56.46%0.06131%0.305CS..BIsolated β-bridgetrans-99.6133-179.7-163.20000111.2N334 H404 L415 F435N334-C402 PolarHBondContact ND2-O 2.81Å; C402-H404 PolarHBondContact O-N 3.13Å; C402-H404 PolarHBondContact SG-O 3.34Å; C402-L415 HydrophobicContact CB-CD2 4.23Å; C402-F435 WeakPolarHBondContact CA-O 3.45Å; C402-F435 HydrophobicContact CB-CD1 4.37Å
403T97.9Very high95.1Very high0 Ų056.7 Ų56.70%030%0.302CS..SBendtrans-75.3-10.5176.2510000113.8F261 N334 I434 F435 H436 L446F261-T403 HydrophobicContact CZ-CG2 4.1Å; N334-T403 WeakPolarHBondContact CB-O 3.32Å; N334-T403 PolarHBondContact N-O 3.19Å; T403-I434 HydrophobicContact CG2-CG2 3.7Å; T403-F435 PolarHBondContact N-O 3.48Å; T403-F435 PolarHBondContact OG1-O 3.31Å; T403-F435 VanDerWaalsContact OG1-O 3.1Å; T403-H436 WeakPolarHBondContact OG1-CA 3.46Å; T403-H436 PolarHBondContact OG1-ND1 3.27Å; T403-L446 HydrophobicContact CG2-CD1 4.32Å
404H98Very high95.5Very high13 Ų1355.3 Ų55.36%0.0629%0.292CS..EExtended strand (participates in β ladder)trans-132.2162.8-176.2-67.476.6000111.9A330 S332 F333 C402 H436 P437 E438A330-H404 HydrophobicContact CB-CB 3.96Å; S332-H404 CarbonylContact O-C 3.19Å; S332-H404 VanDerWaalsContact O-CA 3.29Å; S332-H404 WeakPolarHBondContact O-CA 3.44Å; S332-H404 WeakPolarHBondContact O-CB 3.15Å; F333-H404 AromaticContact CD1-CD2 3.63Å; F333-H404 AromaticContact CD1-CE1 3.68Å; F333-H404 AromaticContact CD1-NE2 3.25Å; F333-H404 WeakPolarHBondContact CD1-NE2 3.42Å; F333-H404 AromaticContact CE1-CD2 3.93Å; F333-H404 AromaticContact CE1-CE1 3.6Å; F333-H404 AromaticContact CE1-NE2 3.1Å; F333-H404 WeakPolarHBondContact CE1-NE2 3.41Å; C402-H404 PolarHBondContact O-N 3.13Å; C402-H404 PolarHBondContact SG-O 3.34Å; H404-H436 AromaticContact CE1-CE1 3.56Å; H404-H436 AromaticContact CE1-ND1 3.7Å; H404-H436 AromaticContact ND1-ND1 3.98Å; H404-P437 HydrophobicContact CB-CG 3.54Å; H404-P437 WeakPolarHBondContact ND1-CD 3.41Å; H404-E438 IonicContact CE1-OE2 3.52Å; H404-E438 PolarHBondContact CE1-OE2 3.33Å; H404-E438 IonicContact NE2-OE2 3.89Å; H404-E438 PolarHBondContact NE2-OE2 2.94Å
405N97.7Very high96Very high62 Ų6248.8 Ų48.833%0.33226%0.264SS..EExtended strand (participates in β ladder)trans-86106.5169.2-59.7-41.4000109A330 S331 S332 F333A330-N405 WeakPolarHBondContact CA-O 3.41Å; A330-N405 WeakPolarHBondContact CB-O 3.5Å; S331-N405 PolarHBondContact N-O 2.98Å; S331-N405 VanDerWaalsContact N-O 3.16Å; S332-N405 PolarHBondContact O-N 3.16Å; S332-N405 PolarHBondContact OG-ND2 2.97Å; F333-N405 PolarHBondContact O-ND2 3.5Å
406M97.5Very high96.5Very high19 Ų1952.2 Ų52.29%0.09428%0.28CS..EExtended strand (participates in β ladder)trans-71.4139.6177.4-63.4-60.8-66.600110.6A328 A330 D408 D409 D412 L415 F435 P437A328-M406 HydrophobicContact CB-CE 3.38Å; A328-M406 HydrophobicContact CB-SD 4.23Å; A330-M406 HydrophobicContact CB-SD 4.11Å; M406-D408 VanDerWaalsContact C-N 3.34Å; M406-D408 PolarHBondContact O-N 3.01Å; M406-D409 HydrophobicContact CB-CB 3.96Å; M406-D412 WeakPolarHBondContact CE-OD2 3.42Å; M406-L415 HydrophobicContact CB-CD1 4.45Å; M406-L415 HydrophobicContact CG-CD1 3.83Å; M406-F435 HydrophobicContact CE-CE1 4.07Å; M406-F435 HydrophobicContact CE-CZ 4.34Å; M406-F435 HydrophobicContact SD-CE1 3.99Å; M406-F435 HydrophobicContact SD-CZ 4.48Å; M406-P437 HydrophobicContact CE-CB 4.35Å; M406-P437 HydrophobicContact SD-CB 3.61Å; M406-P437 HydrophobicContact SD-CG 3.56Å; M406-P437 VanDerWaalsContact SD-CG 3.56Å
407N97.1Very high97Very high96 Ų9645.9 Ų45.951%0.51325%0.245SC..THydrogen-bonded Turntrans-67.9-35180-70.5-6.2000112.3S329 S331S329-N407 PolarHBondContact O-N 2.95Å; S329-N407 PolarHBondContact OG-ND2 3.47Å; S331-N407 WeakPolarHBondContact CB-OD1 3.46Å; S331-N407 PolarHBondContact N-OD1 3.19Å
408D96.3Very high97.3Very high85 Ų8543 Ų4346%0.45523%0.225SC..THydrogen-bonded Turntrans-126.863.6171.9-170.80000110.7M406 S410 N411 D412M406-D408 VanDerWaalsContact C-N 3.34Å; M406-D408 PolarHBondContact O-N 3.01Å; D408-S410 PolarHBondContact O-N 3.46Å; D408-N411 PolarHBondContact O-N 3Å; D408-N411 PolarHBondContact OD1-N 3.19Å; D408-N411 PolarHBondContact OD1-ND2 2.8Å; D408-N411 WeakPolarHBondContact OD2-CB 3.32Å; D408-N411 PolarHBondContact OD2-ND2 3.21Å; D408-N411 VanDerWaalsContact OD2-ND2 3.12Å; D408-D412 PolarHBondContact O-N 3.31Å
409D96.4Very high97.5Very high63 Ų6341.6 Ų41.634%0.33722%0.219SC..THydrogen-bonded Turntrans-53.2-35.2179.5175.3-79.2000113.7M406 L415 R419M406-D409 HydrophobicContact CB-CB 3.96Å; D409-L415 HydrophobicContact CB-CD1 4.4Å; D409-L415 WeakPolarHBondContact OD2-CD1 3.39Å; D409-R419 PolarHBondContact O-NH1 2.84Å; D409-R419 PolarHBondContact O-NH2 2.89Å; D409-R419 IonicContact OD1-CZ 2.73Å; D409-R419 IonicContact OD1-NH1 2.84Å; D409-R419 IonicContact OD1-NH2 2.72Å; D409-R419 PolarHBondContact OD1-NH2 2.98Å; D409-R419 IonicContact OD2-NH2 3.98Å
410S96.6Very high97.5Very high80 Ų8048.1 Ų48.156%0.55924%0.243SC*.THydrogen-bonded Turntrans-72.6-33.8-175.7-710000112.4D408 K416D408-S410 PolarHBondContact O-N 3.46Å; S410-K416 WeakPolarHBondContact O-CE 3.47Å; S410-K416 WeakPolarHBondContact O-CG 3.34Å
411N97Very high97.6Very high88 Ų8848.5 Ų48.547%0.47125%0.246SC..THydrogen-bonded Turntrans-104.3-4.2179.7-58.8-61.3000114.9D408 P413 K416D408-N411 PolarHBondContact O-N 3Å; D408-N411 PolarHBondContact OD1-N 3.19Å; D408-N411 PolarHBondContact OD1-ND2 2.8Å; D408-N411 WeakPolarHBondContact OD2-CB 3.32Å; D408-N411 PolarHBondContact OD2-ND2 3.21Å; D408-N411 VanDerWaalsContact OD2-ND2 3.12Å; N411-P413 WeakPolarHBondContact O-CD 3.39Å; N411-K416 PolarHBondContact OD1-NZ 3.36Å
412D97.5Very high97.6Very high11 Ų1152 Ų526%0.05926%0.262CS..  trans-51.4121.8173.9-178.6-84.1000111.5Y286 M406 D408 V414 L415 K416Y286-D412 PolarHBondContact OH-OD1 3.05Å; Y286-D412 VanDerWaalsContact OH-OD1 3.04Å; Y286-D412 PolarHBondContact OH-OD2 3.24Å; M406-D412 WeakPolarHBondContact CE-OD2 3.42Å; D408-D412 PolarHBondContact O-N 3.31Å; D412-V414 VanDerWaalsContact C-N 3.31Å; D412-V414 PolarHBondContact O-N 3.29Å; D412-V414 WeakPolarHBondContact OD1-CA 3.49Å; D412-V414 WeakPolarHBondContact OD1-CB 3.49Å; D412-V414 PolarHBondContact OD1-N 3.34Å; D412-L415 HydrophobicContact CB-CB 4.09Å; D412-L415 HydrophobicContact CB-CD1 4.05Å; D412-L415 HydrophobicContact CB-CG 4.17Å; D412-L415 PolarHBondContact O-N 3.43Å; D412-L415 WeakPolarHBondContact OD1-CG 3.37Å; D412-L415 PolarHBondContact OD1-N 2.84Å; D412-K416 WeakPolarHBondContact O-CB 3.19Å; D412-K416 PolarHBondContact O-N 2.69Å
413P96.8Very high97.6Very high60 Ų6051.7 Ų51.739%0.3926%0.259SS..Hα-helixtrans-61-35.3-175.9-27.435.1000114.1F288 N411 H417F288-P413 HydrophobicContact CB-CB 4.12Å; F288-P413 HydrophobicContact CD1-CB 3.61Å; F288-P413 HydrophobicContact CD2-CB 4.41Å; F288-P413 HydrophobicContact CE1-CB 4.07Å; F288-P413 HydrophobicContact CG-CB 3.79Å; N411-P413 WeakPolarHBondContact O-CD 3.39Å; P413-H417 WeakPolarHBondContact O-CB 3.37Å; P413-H417 PolarHBondContact O-N 2.74Å; P413-H417 VanDerWaalsContact O-N 3.14Å
414V98.1Very high97.6Very high0 Ų054.1 Ų54.10%027%0.27CS..Hα-helixtrans-70.4-50.3-179.4166.40000109.2Y286 F288 I297 L324 Y326 D412 H417 L418 F435Y286-V414 HydrophobicContact CE2-CG2 4.15Å; Y286-V414 WeakPolarHBondContact OH-CB 3.46Å; Y286-V414 VanDerWaalsContact OH-CG2 3.26Å; Y286-V414 WeakPolarHBondContact OH-CG2 3.48Å; Y286-V414 PolarHBondContact OH-N 2.85Å; F288-V414 HydrophobicContact CD2-CG2 3.58Å; F288-V414 HydrophobicContact CE2-CB 4.42Å; F288-V414 HydrophobicContact CE2-CG2 3.68Å; I297-V414 HydrophobicContact CD1-CG1 4.25Å; L324-V414 HydrophobicContact CD2-CG1 3.87Å; Y326-V414 HydrophobicContact CD2-CG2 3.99Å; Y326-V414 HydrophobicContact CE2-CG2 4.34Å; D412-V414 VanDerWaalsContact C-N 3.31Å; D412-V414 PolarHBondContact O-N 3.29Å; D412-V414 WeakPolarHBondContact OD1-CA 3.49Å; D412-V414 WeakPolarHBondContact OD1-CB 3.49Å; D412-V414 PolarHBondContact OD1-N 3.34Å; V414-H417 PolarHBondContact O-N 3Å; V414-L418 HydrophobicContact CG1-CD1 3.77Å; V414-L418 HydrophobicContact CG1-CG 4.39Å; V414-L418 WeakPolarHBondContact O-CG 3.28Å; V414-L418 PolarHBondContact O-N 3.37Å; V414-F435 HydrophobicContact CB-CD1 4.38Å; V414-F435 HydrophobicContact CB-CE1 4.19Å; V414-F435 HydrophobicContact CB-CZ 4.34Å; V414-F435 HydrophobicContact CG1-CB 4.35Å; V414-F435 HydrophobicContact CG1-CD1 3.88Å; V414-F435 HydrophobicContact CG1-CD2 4.08Å; V414-F435 HydrophobicContact CG1-CE1 4.18Å; V414-F435 HydrophobicContact CG1-CE2 4.42Å; V414-F435 HydrophobicContact CG1-CG 3.84Å; V414-F435 HydrophobicContact CG1-CZ 4.45Å
415L98.3Very high97.6Very high8 Ų853.6 Ų53.64%0.04227%0.267CS..Hα-helixtrans-65-41.6-179.7-65.1179.3000112.2I401 C402 M406 D409 D412 H417 L418 R419 F435I401-L415 HydrophobicContact CG2-CD2 4.09Å; C402-L415 HydrophobicContact CB-CD2 4.23Å; M406-L415 HydrophobicContact CB-CD1 4.45Å; M406-L415 HydrophobicContact CG-CD1 3.83Å; D409-L415 HydrophobicContact CB-CD1 4.4Å; D409-L415 WeakPolarHBondContact OD2-CD1 3.39Å; D412-L415 HydrophobicContact CB-CB 4.09Å; D412-L415 HydrophobicContact CB-CD1 4.05Å; D412-L415 HydrophobicContact CB-CG 4.17Å; D412-L415 PolarHBondContact O-N 3.43Å; D412-L415 WeakPolarHBondContact OD1-CG 3.37Å; D412-L415 PolarHBondContact OD1-N 2.84Å; L415-H417 VanDerWaalsContact C-N 3.28Å; L415-H417 PolarHBondContact O-N 3.08Å; L415-L418 PolarHBondContact O-N 3.42Å; L415-R419 WeakPolarHBondContact O-CB 3.44Å; L415-R419 VanDerWaalsContact O-CG 3.27Å; L415-R419 WeakPolarHBondContact O-CG 3.35Å; L415-R419 PolarHBondContact O-N 3.36Å; L415-F435 HydrophobicContact CD2-CD1 3.89Å; L415-F435 HydrophobicContact CG-CD1 4.08Å; L415-F435 HydrophobicContact CG-CE1 4.33Å
416K97.9Very high97.6Very high104 Ų10454.2 Ų54.245%0.45227%0.265SS..Hα-helixtrans-55.8-44.4172.3-87.4-177.1148.3162.60111.7S410 N411 D412 R419 R420S410-K416 WeakPolarHBondContact O-CE 3.47Å; S410-K416 WeakPolarHBondContact O-CG 3.34Å; N411-K416 PolarHBondContact OD1-NZ 3.36Å; D412-K416 WeakPolarHBondContact O-CB 3.19Å; D412-K416 PolarHBondContact O-N 2.69Å; K416-R419 PolarHBondContact O-N 3.17Å; K416-R420 WeakPolarHBondContact O-CB 2.98Å; K416-R420 PolarHBondContact O-N 3.13Å
417H98.1Very high97.5Very high35 Ų3556.7 Ų56.716%0.16228%0.278CS..Hα-helixtrans-70-42.1-179-140.691.3000112.1F288 D294 I297 E298 P413 V414 L415 R419 R420 T421F288-H417 HydrophobicContact CZ-CB 3.84Å; F288-H417 AromaticContact CZ-CG 3.92Å; D294-H417 PolarHBondContact O-NE2 3.33Å; I297-H417 HydrophobicContact CD1-CB 3.93Å; I297-H417 HydrophobicContact CG2-CB 4.34Å; E298-H417 IonicContact OE2-NE2 3.51Å; P413-H417 WeakPolarHBondContact O-CB 3.37Å; P413-H417 PolarHBondContact O-N 2.74Å; P413-H417 VanDerWaalsContact O-N 3.14Å; V414-H417 PolarHBondContact O-N 3Å; L415-H417 VanDerWaalsContact C-N 3.28Å; L415-H417 PolarHBondContact O-N 3.08Å; H417-R419 VanDerWaalsContact C-N 3.32Å; H417-R419 PolarHBondContact O-N 3.07Å; H417-R420 PolarHBondContact CD2-NH2 3.17Å; H417-R420 VanDerWaalsContact CD2-NH2 3.32Å; H417-R420 PolarHBondContact CE1-NH2 3.37Å; H417-R420 PolarHBondContact NE2-NH2 3.18Å; H417-R420 PolarHBondContact O-N 3.3Å; H417-T421 PolarHBondContact O-N 3.45Å; H417-T421 PolarHBondContact O-OG1 3.17Å; H417-T421 VanDerWaalsContact O-OG1 3.09Å
418L98.5Very high97.4Very high1 Ų156.8 Ų56.81%0.00528%0.283CS..Hα-helixtrans-62-37.9175.2-69.2171.8000112.3I297 I401 V414 L415 T421 Q422 L423 V433I297-L418 HydrophobicContact CB-CD2 4.49Å; I297-L418 HydrophobicContact CD1-CD2 4.15Å; I297-L418 HydrophobicContact CD1-CG 4.06Å; I297-L418 HydrophobicContact CG1-CD2 4Å; I297-L418 HydrophobicContact CG1-CG 4.47Å; I297-L418 HydrophobicContact CG2-CD2 3.69Å; I297-L418 HydrophobicContact CG2-CG 4.33Å; I401-L418 HydrophobicContact CG2-CD1 3.45Å; I401-L418 VanDerWaalsContact CG2-CD1 3.45Å; V414-L418 HydrophobicContact CG1-CD1 3.77Å; V414-L418 HydrophobicContact CG1-CG 4.39Å; V414-L418 WeakPolarHBondContact O-CG 3.28Å; V414-L418 PolarHBondContact O-N 3.37Å; L415-L418 PolarHBondContact O-N 3.42Å; L418-T421 PolarHBondContact O-OG1 2.86Å; L418-Q422 PolarHBondContact O-N 3.18Å; L418-Q422 VanDerWaalsContact O-N 3.08Å; L418-L423 HydrophobicContact CD2-CB 4.06Å; L418-L423 HydrophobicContact CD2-CD1 4.02Å; L418-L423 PolarHBondContact O-N 2.72Å; L418-L423 VanDerWaalsContact O-N 3.12Å; L418-V433 HydrophobicContact CD2-CB 4.25Å; L418-V433 HydrophobicContact CD2-CG1 4.04Å; L418-V433 HydrophobicContact CD2-CG2 4.11Å
419R98.1Very high97.5Very high93 Ų9352.9 Ų52.935%0.35126%0.262SS..Hα-helixtrans-63.2-47172-71.5173.2-170.1123.99.8111.6D409 L415 K416 H417 T421 Q422 F424D409-R419 PolarHBondContact O-NH1 2.84Å; D409-R419 PolarHBondContact O-NH2 2.89Å; D409-R419 IonicContact OD1-CZ 2.73Å; D409-R419 IonicContact OD1-NH1 2.84Å; D409-R419 IonicContact OD1-NH2 2.72Å; D409-R419 PolarHBondContact OD1-NH2 2.98Å; D409-R419 IonicContact OD2-NH2 3.98Å; L415-R419 WeakPolarHBondContact O-CB 3.44Å; L415-R419 VanDerWaalsContact O-CG 3.27Å; L415-R419 WeakPolarHBondContact O-CG 3.35Å; L415-R419 PolarHBondContact O-N 3.36Å; K416-R419 PolarHBondContact O-N 3.17Å; H417-R419 VanDerWaalsContact C-N 3.32Å; H417-R419 PolarHBondContact O-N 3.07Å; R419-T421 PolarHBondContact O-N 3.34Å; R419-Q422 PolarHBondContact O-N 3.31Å; R419-Q422 VanDerWaalsContact O-N 3.17Å; R419-F424 HydrophobicContact CB-CE1 4.38Å; R419-F424 HydrophobicContact CG-CE1 4.23Å; R419-F424 WeakPolarHBondContact O-CZ 3.31Å
420R98Very high97.6Very high139 Ų13952 Ų5253%0.52525%0.254SS..Hα-helixtrans-61.1-42.7-179.7-173.3-174.762.771.73.6111.9E298 K416 H417 Q422E298-R420 IonicContact OE2-CZ 3.4Å; E298-R420 IonicContact OE2-NH1 3.86Å; E298-R420 PolarHBondContact OE2-NH1 3.3Å; E298-R420 IonicContact OE2-NH2 2.77Å; E298-R420 PolarHBondContact OE2-NH2 3.46Å; K416-R420 WeakPolarHBondContact O-CB 2.98Å; K416-R420 PolarHBondContact O-N 3.13Å; H417-R420 PolarHBondContact CD2-NH2 3.17Å; H417-R420 VanDerWaalsContact CD2-NH2 3.32Å; H417-R420 PolarHBondContact CE1-NH2 3.37Å; H417-R420 PolarHBondContact NE2-NH2 3.18Å; H417-R420 PolarHBondContact O-N 3.3Å; R420-Q422 VanDerWaalsContact C-N 3.26Å; R420-Q422 PolarHBondContact O-N 2.91Å
421T98.4Very high97.7Very high23 Ų2348.2 Ų48.214%0.14123%0.227CC..THydrogen-bonded Turntrans-82.8-1.6178.659.70000113.9I297 E298 A301 H417 L418 R419 L423I297-T421 HydrophobicContact CG2-CG2 4.07Å; I297-T421 WeakPolarHBondContact CG2-OG1 3.28Å; E298-T421 VanDerWaalsContact OE2-CG2 3.31Å; E298-T421 WeakPolarHBondContact OE2-CG2 3.46Å; A301-T421 HydrophobicContact CB-CG2 4.24Å; H417-T421 PolarHBondContact O-N 3.45Å; H417-T421 PolarHBondContact O-OG1 3.17Å; H417-T421 VanDerWaalsContact O-OG1 3.09Å; L418-T421 PolarHBondContact O-OG1 2.86Å; R419-T421 PolarHBondContact O-N 3.34Å; T421-L423 VanDerWaalsContact C-N 3.26Å; T421-L423 PolarHBondContact O-N 3.45Å
422Q98Very high97.8Very high104 Ų10444.1 Ų44.149%0.48621%0.205SC..THydrogen-bonded Turntrans56.532.2-179.5-54.4-164.27.900115.2L418 R419 R420 F424 R426L418-Q422 PolarHBondContact O-N 3.18Å; L418-Q422 VanDerWaalsContact O-N 3.08Å; R419-Q422 PolarHBondContact O-N 3.31Å; R419-Q422 VanDerWaalsContact O-N 3.17Å; R420-Q422 VanDerWaalsContact C-N 3.26Å; R420-Q422 PolarHBondContact O-N 2.91Å; Q422-F424 VanDerWaalsContact C-N 3.27Å; Q422-F424 VanDerWaalsContact CA-CE2 3.44Å; Q422-F424 HydrophobicContact CB-CD2 3.82Å; Q422-F424 HydrophobicContact CB-CE2 3.51Å; Q422-F424 HydrophobicContact CB-CZ 4.29Å; Q422-F424 HydrophobicContact CG-CD2 4.5Å; Q422-F424 HydrophobicContact CG-CE2 3.72Å; Q422-F424 HydrophobicContact CG-CZ 4.33Å; Q422-F424 WeakPolarHBondContact O-CD2 3.45Å; Q422-F424 PolarHBondContact O-N 3.25Å; Q422-R426 VanDerWaalsContact OE1-NH2 3.17Å
423L98.3Very high97.8Very high1 Ų143.6 Ų43.61%0.00520%0.202CC..  trans-78.878.6172.4-70.2173000109.6I297 L300 N304 I401 L418 T421 V433I297-L423 HydrophobicContact CG2-CD1 4.12Å; L300-L423 HydrophobicContact CB-CD1 3.84Å; N304-L423 HydrophobicContact CB-CD2 4.25Å; I401-L423 WeakPolarHBondContact CD1-O 3.37Å; L418-L423 HydrophobicContact CD2-CB 4.06Å; L418-L423 HydrophobicContact CD2-CD1 4.02Å; L418-L423 PolarHBondContact O-N 2.72Å; L418-L423 VanDerWaalsContact O-N 3.12Å; T421-L423 VanDerWaalsContact C-N 3.26Å; T421-L423 PolarHBondContact O-N 3.45Å; L423-V433 HydrophobicContact CB-CG1 4.16Å; L423-V433 HydrophobicContact CB-CG2 4.09Å; L423-V433 HydrophobicContact CD1-CG1 4.03Å; L423-V433 WeakPolarHBondContact O-CG2 3.29Å
424F97.6Very high97.9Very high52 Ų5240.7 Ų40.723%0.22818%0.184CC..  trans-102.310.1-171.3-62-55.1000115.1W398 I401 R419 Q422 R426W398-F424 HydrophobicContact CE3-CB 3.87Å; W398-F424 HydrophobicContact CZ3-CB 3.96Å; W398-F424 HydrophobicContact CZ3-CD2 4.48Å; W398-F424 HydrophobicContact CZ3-CG 4.37Å; I401-F424 HydrophobicContact CD1-CD1 4.03Å; R419-F424 HydrophobicContact CB-CE1 4.38Å; R419-F424 HydrophobicContact CG-CE1 4.23Å; R419-F424 WeakPolarHBondContact O-CZ 3.31Å; Q422-F424 VanDerWaalsContact C-N 3.27Å; Q422-F424 VanDerWaalsContact CA-CE2 3.44Å; Q422-F424 HydrophobicContact CB-CD2 3.82Å; Q422-F424 HydrophobicContact CB-CE2 3.51Å; Q422-F424 HydrophobicContact CB-CZ 4.29Å; Q422-F424 HydrophobicContact CG-CD2 4.5Å; Q422-F424 HydrophobicContact CG-CE2 3.72Å; Q422-F424 HydrophobicContact CG-CZ 4.33Å; Q422-F424 WeakPolarHBondContact O-CD2 3.45Å; Q422-F424 PolarHBondContact O-N 3.25Å; F424-R426 VanDerWaalsContact C-N 3.31Å; F424-R426 HydrophobicContact CB-CG 4.25Å; F424-R426 PolarHBondContact O-N 3.36Å
425N97.9Very high97.9Very high1 Ų140.7 Ų40.71%0.00518%0.184CC..  trans58.738.2-175.6-64.1-30.4000113.5F266 P399 K432 V433F266-N425 HydrophobicContact CE1-CB 4.22Å; P399-N425 HydrophobicContact CB-CB 4.34Å; P399-N425 PolarHBondContact O-ND2 2.97Å; N425-K432 WeakPolarHBondContact OD1-CA 3.43Å; N425-K432 WeakPolarHBondContact OD1-CB 3.15Å; N425-V433 PolarHBondContact ND2-O 3.3Å; N425-V433 PolarHBondContact OD1-N 2.99Å; N425-V433 PolarHBondContact OD1-O 3.39Å
426R96.8Very high97.9Very high76 Ų7640.3 Ų40.329%0.28718%0.182SC..  trans-65158.4176.1-59176.6-179.3157.73.5110.2W398 Q422 F424 T428 D429W398-R426 HydrophobicContact CD2-CG 4.24Å; W398-R426 HydrophobicContact CE3-CG 4.34Å; W398-R426 HydrophobicContact CH2-CG 4.14Å; W398-R426 HydrophobicContact CZ2-CG 4Å; W398-R426 HydrophobicContact CZ3-CG 4.3Å; Q422-R426 VanDerWaalsContact OE1-NH2 3.17Å; F424-R426 VanDerWaalsContact C-N 3.31Å; F424-R426 HydrophobicContact CB-CG 4.25Å; F424-R426 PolarHBondContact O-N 3.36Å; R426-T428 PolarHBondContact O-N 3.33Å; R426-D429 WeakPolarHBondContact CB-OD2 3.39Å; R426-D429 PolarHBondContact N-OD2 3.41Å; R426-D429 WeakPolarHBondContact O-CB 3.38Å; R426-D429 PolarHBondContact O-N 2.79Å
427D95.5Very high97.9Very high70 Ų7035.6 Ų35.637%0.37416%0.162SC..THydrogen-bonded Turntrans-59.6-30.4177.3-69.6-32.5000113.1H269 N271H269-D427 IonicContact CE1-OD1 3.55Å; H269-D427 IonicContact CE1-OD2 3.46Å; H269-D427 IonicContact CG-OD1 2.67Å; H269-D427 IonicContact ND1-OD1 3.86Å; H269-D427 PolarHBondContact ND1-OD1 3.05Å; H269-D427 IonicContact ND1-OD2 3.55Å; H269-D427 PolarHBondContact ND1-OD2 3.36Å; N271-D427 WeakPolarHBondContact ND2-CB 3.49Å; N271-D427 PolarHBondContact ND2-O 2.68Å
428T95.9Very high97.8Very high98 Ų9837.5 Ų37.560%0.60117%0.171SC*.THydrogen-bonded Turntrans-79.8-17.117756.60000113K308 R426 R430K308-T428 WeakPolarHBondContact CE-O 3.35Å; R426-T428 PolarHBondContact O-N 3.33Å; T428-R430 PolarHBondContact O-N 2.87Å
429D97.9Very high97.7Very high3 Ų344.9 Ų44.92%0.01620%0.203CC..  trans-68.2125.8-179.9-68.9-31.5000111.3N304 K308 R426N304-D429 PolarHBondContact ND2-OD1 2.62Å; K308-D429 IonicContact NZ-OD1 2.89Å; K308-D429 PolarHBondContact NZ-OD1 3.3Å; R426-D429 WeakPolarHBondContact CB-OD2 3.39Å; R426-D429 PolarHBondContact N-OD2 3.41Å; R426-D429 WeakPolarHBondContact O-CB 3.38Å; R426-D429 PolarHBondContact O-N 2.79Å
430R98Very high97.6Very high46 Ų4641.3 Ų41.317%0.17419%0.191CC..SBendtrans-86.5-25.2173.3-57.4-53.7-55.5167.98.8111.1N304 L307 K308 D317 V318 T319 V320 T428N304-R430 PolarHBondContact OD1-N 3Å; L307-R430 HydrophobicContact CB-CB 3.55Å; L307-R430 HydrophobicContact CB-CG 3.96Å; L307-R430 HydrophobicContact CD1-CB 4.08Å; L307-R430 HydrophobicContact CG-CB 4.49Å; K308-R430 HydrophobicContact CG-CG 3.74Å; D317-R430 PolarHBondContact O-NH2 3.21Å; V318-R430 PolarHBondContact O-NE 2.96Å; V318-R430 PolarHBondContact O-NH2 3.19Å; T319-R430 CarbonylContact C-O 3.6Å; T319-R430 VanDerWaalsContact CA-O 3.3Å; T319-R430 WeakPolarHBondContact CA-O 3.23Å; T319-R430 PolarHBondContact OG1-NH2 3.08Å; V320-R430 PolarHBondContact N-O 3.18Å; T428-R430 PolarHBondContact O-N 2.87Å
431V98.7Very high97.4Very high0 Ų036.8 Ų36.80%018%0.18CC..EExtended strand (participates in β ladder)trans-104.9119.8168.8179.10000109L300 L303 N304 L307 V320L300-V431 HydrophobicContact CB-CG1 4.14Å; L300-V431 HydrophobicContact CD2-CG1 3.82Å; L300-V431 HydrophobicContact CG-CG1 4.46Å; L303-V431 HydrophobicContact CB-CG2 4.07Å; L303-V431 HydrophobicContact CD2-CG2 3.8Å; L303-V431 HydrophobicContact CG-CG2 3.69Å; N304-V431 HydrophobicContact CB-CB 3.82Å; N304-V431 HydrophobicContact CB-CG2 3.86Å; N304-V431 PolarHBondContact OD1-N 3Å; L307-V431 HydrophobicContact CD1-CG2 4.09Å; V320-V431 HydrophobicContact CB-CG2 4.21Å; V320-V431 CarbonylContact O-C 3.45Å; V320-V431 WeakPolarHBondContact O-CA 3.34Å
432K98.7Very high97.1Very high1 Ų138.6 Ų38.60%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-111148.8176.3-55.8171.9-170.3-86.70108.3F266 N271 F272 T319 V320 I321 A322 N425F266-K432 HydrophobicContact CD1-CD 3.98Å; F266-K432 HydrophobicContact CE1-CB 3.8Å; F266-K432 HydrophobicContact CE1-CD 3.57Å; F266-K432 HydrophobicContact CE1-CG 4.06Å; F266-K432 HydrophobicContact CZ-CB 3.67Å; F266-K432 HydrophobicContact CZ-CD 3.94Å; F266-K432 HydrophobicContact CZ-CG 4.35Å; N271-K432 PolarHBondContact OD1-NZ 3.39Å; F272-K432 HydrophobicContact CD1-CD 4.13Å; F272-K432 HydrophobicContact CE1-CD 3.73Å; F272-K432 HydrophobicContact CZ-CD 4.08Å; T319-K432 HydrophobicContact CG2-CD 4.01Å; T319-K432 HydrophobicContact CG2-CG 4.45Å; V320-K432 PolarHBondContact O-N 3.19Å; I321-K432 CarbonylContact C-O 3.56Å; I321-K432 WeakPolarHBondContact CA-O 3.35Å; I321-K432 HydrophobicContact CG1-CB 4.15Å; I321-K432 HydrophobicContact CG1-CD 4.4Å; A322-K432 PolarHBondContact N-O 3.48Å; N425-K432 WeakPolarHBondContact OD1-CA 3.43Å; N425-K432 WeakPolarHBondContact OD1-CB 3.15Å
433V98.7Very high96.8Very high0 Ų039.7 Ų39.70%021%0.208CC..EExtended strand (participates in β ladder)trans-125.1141.2-172.9-67.60000111L300 A322 I401 L418 L423 N425L300-V433 HydrophobicContact CD1-CG1 4.21Å; A322-V433 HydrophobicContact CB-CG1 4.44Å; A322-V433 CarbonylContact O-C 3.54Å; A322-V433 WeakPolarHBondContact O-CA 3.39Å; I401-V433 HydrophobicContact CG1-CG2 4.27Å; I401-V433 HydrophobicContact CG2-CG2 4.13Å; L418-V433 HydrophobicContact CD2-CB 4.25Å; L418-V433 HydrophobicContact CD2-CG1 4.04Å; L418-V433 HydrophobicContact CD2-CG2 4.11Å; L423-V433 HydrophobicContact CB-CG1 4.16Å; L423-V433 HydrophobicContact CB-CG2 4.09Å; L423-V433 HydrophobicContact CD1-CG1 4.03Å; L423-V433 WeakPolarHBondContact O-CG2 3.29Å; N425-V433 PolarHBondContact ND2-O 3.3Å; N425-V433 PolarHBondContact OD1-N 2.99Å; N425-V433 PolarHBondContact OD1-O 3.39Å
434I98.6Very high96.6Very high0 Ų040.5 Ų40.50%021%0.213CC..EExtended strand (participates in β ladder)trans-134.1113.4173.9-57.3-176.4000108.3F261 F266 I321 A322 F323 L324 I401 T403F261-I434 HydrophobicContact CE1-CD1 3.56Å; F261-I434 HydrophobicContact CE1-CG2 4.4Å; F261-I434 HydrophobicContact CZ-CD1 4.17Å; F261-I434 HydrophobicContact CZ-CG2 4.32Å; F266-I434 HydrophobicContact CE2-CD1 3.78Å; F266-I434 HydrophobicContact CE2-CG1 4.35Å; F266-I434 HydrophobicContact CZ-CD1 4.14Å; F266-I434 HydrophobicContact CZ-CG1 4.21Å; I321-I434 HydrophobicContact CG2-CD1 3.9Å; I321-I434 HydrophobicContact CG2-CG1 4.19Å; A322-I434 PolarHBondContact O-N 3.38Å; F323-I434 CarbonylContact C-O 3.53Å; F323-I434 WeakPolarHBondContact CA-O 3.31Å; F323-I434 HydrophobicContact CD1-CB 4.02Å; F323-I434 HydrophobicContact CD1-CD1 4.44Å; F323-I434 HydrophobicContact CD1-CG2 4.16Å; F323-I434 HydrophobicContact CE1-CB 4.25Å; F323-I434 HydrophobicContact CE1-CD1 3.83Å; F323-I434 HydrophobicContact CE1-CG2 4.27Å; F323-I434 HydrophobicContact CZ-CD1 4.03Å; L324-I434 PolarHBondContact N-O 3.2Å; I401-I434 CarbonylContact O-C 3.28Å; I401-I434 WeakPolarHBondContact O-CA 3.35Å; T403-I434 HydrophobicContact CG2-CG2 3.7Å
435F98.6Very high96.4Very high0 Ų041.6 Ų41.60%023%0.225CC..EExtended strand (participates in β ladder)trans-90.3120169.7-178.7-148.3000109.7Y286 L324 A328 I401 C402 T403 M406 V414 L415 P437Y286-F435 AromaticContact CE1-CZ 3.77Å; Y286-F435 HydrophobicContact CE1-CZ 3.77Å; L324-F435 HydrophobicContact CB-CD2 3.99Å; L324-F435 WeakPolarHBondContact O-CD2 3.49Å; A328-F435 HydrophobicContact CB-CZ 4.42Å; I401-F435 PolarHBondContact O-N 3.32Å; C402-F435 WeakPolarHBondContact CA-O 3.45Å; C402-F435 HydrophobicContact CB-CD1 4.37Å; T403-F435 PolarHBondContact N-O 3.48Å; T403-F435 PolarHBondContact OG1-O 3.31Å; T403-F435 VanDerWaalsContact OG1-O 3.1Å; M406-F435 HydrophobicContact CE-CE1 4.07Å; M406-F435 HydrophobicContact CE-CZ 4.34Å; M406-F435 HydrophobicContact SD-CE1 3.99Å; M406-F435 HydrophobicContact SD-CZ 4.48Å; V414-F435 HydrophobicContact CB-CD1 4.38Å; V414-F435 HydrophobicContact CB-CE1 4.19Å; V414-F435 HydrophobicContact CB-CZ 4.34Å; V414-F435 HydrophobicContact CG1-CB 4.35Å; V414-F435 HydrophobicContact CG1-CD1 3.88Å; V414-F435 HydrophobicContact CG1-CD2 4.08Å; V414-F435 HydrophobicContact CG1-CE1 4.18Å; V414-F435 HydrophobicContact CG1-CE2 4.42Å; V414-F435 HydrophobicContact CG1-CG 3.84Å; V414-F435 HydrophobicContact CG1-CZ 4.45Å; L415-F435 HydrophobicContact CD2-CD1 3.89Å; L415-F435 HydrophobicContact CG-CD1 4.08Å; L415-F435 HydrophobicContact CG-CE1 4.33Å; F435-P437 HydrophobicContact CE1-CB 4.27Å; F435-P437 HydrophobicContact CE2-CB 4.05Å; F435-P437 HydrophobicContact CZ-CB 3.78Å; F435-P437 WeakPolarHBondContact O-CD 3.31Å
436H98.2Very high96.2Very high0 Ų041.9 Ų41.90%023%0.227CC..EExtended strand (participates in β ladder)trans-118.295.5178-170.571.8000109.9L324 I325 Y326 T403 H404 E438L324-H436 PolarHBondContact O-N 3.42Å; I325-H436 HydrophobicContact CD1-CB 3.67Å; Y326-H436 PolarHBondContact N-O 3.02Å; T403-H436 WeakPolarHBondContact OG1-CA 3.46Å; T403-H436 PolarHBondContact OG1-ND1 3.27Å; H404-H436 AromaticContact CE1-CE1 3.56Å; H404-H436 AromaticContact CE1-ND1 3.7Å; H404-H436 AromaticContact ND1-ND1 3.98Å; H436-E438 PolarHBondContact CD2-O 3.29Å; H436-E438 VanDerWaalsContact CD2-O 3.26Å; H436-E438 PolarHBondContact O-N 3.44Å
437P97.8Very high96Very high5 Ų538.5 Ų38.53%0.03221%0.214CC..  trans-81.434.8-173.733.7-39.1000114.4Y326 P327 A328 A330 H404 M406 F435Y326-P437 WeakPolarHBondContact O-CA 3.3Å; P327-P437 WeakPolarHBondContact CA-O 3.47Å; A328-P437 HydrophobicContact CB-CB 3.58Å; A328-P437 PolarHBondContact N-O 2.91Å; A330-P437 HydrophobicContact CB-CG 4.26Å; H404-P437 HydrophobicContact CB-CG 3.54Å; H404-P437 WeakPolarHBondContact ND1-CD 3.41Å; M406-P437 HydrophobicContact CE-CB 4.35Å; M406-P437 HydrophobicContact SD-CB 3.61Å; M406-P437 HydrophobicContact SD-CG 3.56Å; M406-P437 VanDerWaalsContact SD-CG 3.56Å; F435-P437 HydrophobicContact CE1-CB 4.27Å; F435-P437 HydrophobicContact CE2-CB 4.05Å; F435-P437 HydrophobicContact CZ-CB 3.78Å; F435-P437 WeakPolarHBondContact O-CD 3.31Å
438E95.9Very high96Very high75 Ų7536.9 Ų36.935%0.3521%0.214SC..SBendtrans-140.2154.2-176.9-167.1-176.9-158.900109.6H404 H436H404-E438 IonicContact CE1-OE2 3.52Å; H404-E438 PolarHBondContact CE1-OE2 3.33Å; H404-E438 IonicContact NE2-OE2 3.89Å; H404-E438 PolarHBondContact NE2-OE2 2.94Å; H436-E438 PolarHBondContact CD2-O 3.29Å; H436-E438 VanDerWaalsContact CD2-O 3.26Å; H436-E438 PolarHBondContact O-N 3.44Å
439F95.2Very high96Very high156 Ų15632.3 Ų32.368%0.68419%0.186SC*.  trans-67.8136.5167-72.6-71.8000109.9P327P327-F439 HydrophobicContact CB-CD2 4.08Å; P327-F439 HydrophobicContact CB-CE2 3.88Å; P327-F439 HydrophobicContact CB-CZ 4.17Å; P327-F439 HydrophobicContact CG-CD1 3.64Å; P327-F439 HydrophobicContact CG-CD2 3.76Å; P327-F439 HydrophobicContact CG-CE1 3.53Å; P327-F439 HydrophobicContact CG-CE2 3.64Å; P327-F439 HydrophobicContact CG-CG 3.77Å; P327-F439 HydrophobicContact CG-CZ 3.54Å
440L96.1Very high95.9Very high18 Ų1835.5 Ų35.59%0.09420%0.203CC..  trans-64.9140.7177.2-67.6170.9000111.1I325 I447 Y451 F454I325-L440 HydrophobicContact CD1-CD2 4.42Å; I325-L440 HydrophobicContact CG1-CD1 4.44Å; I325-L440 HydrophobicContact CG2-CD1 4.38Å; I325-L440 HydrophobicContact CG2-CG 4.15Å; L440-I447 HydrophobicContact CD2-CB 4.1Å; L440-I447 HydrophobicContact CD2-CD1 4.17Å; L440-I447 HydrophobicContact CD2-CG2 3.92Å; L440-Y451 HydrophobicContact CD1-CD2 4.39Å; L440-F454 HydrophobicContact CD1-CB 3.54Å; L440-F454 HydrophobicContact CD1-CD1 3.43Å; L440-F454 VanDerWaalsContact CD1-CD1 3.43Å; L440-F454 HydrophobicContact CD1-CD2 4.04Å; L440-F454 HydrophobicContact CD1-CE1 4.13Å; L440-F454 HydrophobicContact CD1-CG 3.37Å
441S94.2Very high95.7Very high43 Ų4336.2 Ų36.230%0.30121%0.206SC..BIsolated β-bridgetrans-147.8136.5-180-179.40000110.7V443 S444 L449S441-V443 PolarHBondContact O-N 3.37Å; S441-V443 VanDerWaalsContact O-N 3.08Å; S441-V443 WeakPolarHBondContact OG-CG2 3.43Å; S441-V443 PolarHBondContact OG-N 2.89Å; S441-S444 VanDerWaalsContact O-CB 3.29Å; S441-S444 WeakPolarHBondContact O-CB 3.4Å; S441-S444 PolarHBondContact O-N 3.32Å; S441-L449 CarbonylContact C-O 3.53Å; S441-L449 VanDerWaalsContact C-O 3.28Å; S441-L449 PolarHBondContact N-O 3.45Å
442S92Very high95.5Very high61 Ų6141.6 Ų41.643%0.42723%0.231SC..THydrogen-bonded Turntrans-57.9-19.5175.647.50000114.5D450S442-D450 WeakPolarHBondContact CB-OD1 3.47Å; S442-D450 WeakPolarHBondContact CB-OD2 3.48Å; S442-D450 PolarHBondContact N-OD1 3.08Å; S442-D450 PolarHBondContact OG-OD1 3.21Å; S442-D450 VanDerWaalsContact OG-OD1 3.1Å; S442-D450 PolarHBondContact OG-OD2 3.31Å; S442-D450 VanDerWaalsContact OG-OD2 3.13Å
443V92.7Very high95.3Very high128 Ų12844.5 Ų44.578%0.77625%0.245SC*.THydrogen-bonded Turntrans-97.73.9177-58.90000114S441S441-V443 PolarHBondContact O-N 3.37Å; S441-V443 VanDerWaalsContact O-N 3.08Å; S441-V443 WeakPolarHBondContact OG-CG2 3.43Å; S441-V443 PolarHBondContact OG-N 2.89Å
444S93.4Very high95.2Very high17 Ų1744.5 Ų44.512%0.11925%0.245CC..  trans-65.4135.9178.2-179.60000111.3S441 L446 I447S441-S444 VanDerWaalsContact O-CB 3.29Å; S441-S444 WeakPolarHBondContact O-CB 3.4Å; S441-S444 PolarHBondContact O-N 3.32Å; S444-L446 PolarHBondContact O-N 2.96Å; S444-L446 PolarHBondContact OG-N 2.94Å; S444-I447 WeakPolarHBondContact CB-O 3.3Å
445P92.9Very high95.2Very high75 Ų7544.5 Ų44.549%0.48725%0.245SC..SBendtrans-72.3-9.9176.430.8-36000113.4F333 L338F333-P445 HydrophobicContact CD2-CG 3.98Å; F333-P445 HydrophobicContact CE1-CG 4.49Å; F333-P445 HydrophobicContact CE2-CG 3.37Å; F333-P445 HydrophobicContact CZ-CG 3.68Å; L338-P445 HydrophobicContact CD2-CB 4.25Å; L338-P445 HydrophobicContact CD2-CG 4.22Å
446L94.1Very high95Very high8 Ų846.3 Ų46.34%0.04225%0.252CS..SBendtrans-100.7-72.2177.6-64.8-175.6000111.2F261 F333 L338 Q341 T403 S444F261-L446 VanDerWaalsContact CD2-O 3.25Å; F261-L446 WeakPolarHBondContact CD2-O 3.38Å; F261-L446 HydrophobicContact CE2-CB 4.18Å; F333-L446 HydrophobicContact CB-CD1 4.37Å; F333-L446 HydrophobicContact CD1-CD1 3.36Å; F333-L446 HydrophobicContact CD1-CG 3.93Å; F333-L446 HydrophobicContact CE1-CD1 3.91Å; F333-L446 HydrophobicContact CE1-CG 4.21Å; F333-L446 HydrophobicContact CG-CD1 4.09Å; F333-L446 HydrophobicContact CG-CG 4.42Å; L338-L446 HydrophobicContact CD2-CD2 3.77Å; L338-L446 HydrophobicContact CD2-CG 4.36Å; L338-L446 HydrophobicContact CG-CD2 4.23Å; Q341-L446 HydrophobicContact CG-CD2 3.97Å; T403-L446 HydrophobicContact CG2-CD1 4.32Å; S444-L446 PolarHBondContact O-N 2.96Å; S444-L446 PolarHBondContact OG-N 2.94Å
447I93.9Very high94.9Very high4 Ų446.3 Ų46.32%0.02125%0.252CS..  trans-110.487.1-179.4-53.5176.1000107.4F261 F323 L440 S444 L449 F454F261-I447 HydrophobicContact CD1-CD1 4.21Å; F261-I447 HydrophobicContact CD1-CG1 3.92Å; F261-I447 HydrophobicContact CD2-CG1 3.63Å; F261-I447 HydrophobicContact CE1-CD1 3.9Å; F261-I447 HydrophobicContact CE1-CG1 3.95Å; F261-I447 HydrophobicContact CE2-CD1 4.3Å; F261-I447 HydrophobicContact CE2-CG1 3.66Å; F261-I447 HydrophobicContact CG-CG1 3.76Å; F261-I447 HydrophobicContact CZ-CD1 3.95Å; F261-I447 HydrophobicContact CZ-CG1 3.82Å; F323-I447 HydrophobicContact CD1-CD1 4.39Å; F323-I447 HydrophobicContact CE1-CD1 4.03Å; L440-I447 HydrophobicContact CD2-CB 4.1Å; L440-I447 HydrophobicContact CD2-CD1 4.17Å; L440-I447 HydrophobicContact CD2-CG2 3.92Å; S444-I447 WeakPolarHBondContact CB-O 3.3Å; I447-L449 HydrophobicContact CG2-CB 4.11Å; I447-L449 HydrophobicContact CG2-CD1 3.95Å; I447-L449 HydrophobicContact CG2-CG 4.37Å; I447-L449 PolarHBondContact O-N 3.01Å; I447-F454 HydrophobicContact CG2-CD2 4.46Å
448G93.6Very high94.9Very high36 Ų3646.1 Ų46.137%0.37125%0.25SS..BIsolated β-bridgetrans-7456.4179.500000113.3
449L95.7Very high95.1Very high2 Ų242.9 Ų42.91%0.0124%0.235CC..  trans-133.3137.2179.6-73.4162.2000108.7K257 I258 S441 I447 E453 F454K257-L449 HydrophobicContact CB-CD1 4.12Å; K257-L449 HydrophobicContact CB-CD2 3.78Å; K257-L449 HydrophobicContact CB-CG 4.14Å; K257-L449 HydrophobicContact CD-CD2 3.35Å; K257-L449 HydrophobicContact CD-CG 4.32Å; K257-L449 HydrophobicContact CG-CD2 4.23Å; I258-L449 HydrophobicContact CD1-CD1 4.46Å; I258-L449 HydrophobicContact CG1-CD1 3.55Å; S441-L449 CarbonylContact C-O 3.53Å; S441-L449 VanDerWaalsContact C-O 3.28Å; S441-L449 PolarHBondContact N-O 3.45Å; I447-L449 HydrophobicContact CG2-CB 4.11Å; I447-L449 HydrophobicContact CG2-CD1 3.95Å; I447-L449 HydrophobicContact CG2-CG 4.37Å; I447-L449 PolarHBondContact O-N 3.01Å; L449-E453 HydrophobicContact CB-CB 4.47Å; L449-E453 HydrophobicContact CD2-CB 3.55Å; L449-F454 HydrophobicContact CB-CB 4.19Å; L449-F454 HydrophobicContact CD1-CB 4.38Å; L449-F454 HydrophobicContact CD1-CD2 4.39Å
450D95.8Very high95.2Very high70 Ų7035.5 Ų35.537%0.37420%0.203SC..  trans-72.9159.2162.2-66.8-40.5000110S442 E452 E453 F454S442-D450 WeakPolarHBondContact CB-OD1 3.47Å; S442-D450 WeakPolarHBondContact CB-OD2 3.48Å; S442-D450 PolarHBondContact N-OD1 3.08Å; S442-D450 PolarHBondContact OG-OD1 3.21Å; S442-D450 VanDerWaalsContact OG-OD1 3.1Å; S442-D450 PolarHBondContact OG-OD2 3.31Å; S442-D450 VanDerWaalsContact OG-OD2 3.13Å; D450-E452 VanDerWaalsContact C-N 3.3Å; D450-E452 PolarHBondContact O-N 3.41Å; D450-E453 PolarHBondContact O-N 3.45Å; D450-E453 VanDerWaalsContact O-N 3.08Å; D450-F454 PolarHBondContact O-N 2.97Å
451Y95.4Very high95.4Very high62 Ų6234.6 Ų34.624%0.24320%0.198CC..Hα-helixtrans-52.1-45.4-174.8170.9-102.5000113.1A283 L440 E453 F454 V455 T473 E476A283-Y451 HydrophobicContact CB-CE2 3.86Å; L440-Y451 HydrophobicContact CD1-CD2 4.39Å; Y451-E453 PolarHBondContact O-N 3.4Å; Y451-F454 WeakPolarHBondContact O-CB 3.34Å; Y451-F454 PolarHBondContact O-N 3.33Å; Y451-V455 HydrophobicContact CD1-CG2 4.42Å; Y451-V455 HydrophobicContact CD2-CG2 4.12Å; Y451-V455 HydrophobicContact CE1-CG2 4Å; Y451-V455 HydrophobicContact CE2-CG2 3.64Å; Y451-V455 HydrophobicContact CG-CG2 4.48Å; Y451-V455 WeakPolarHBondContact O-CG2 3.26Å; Y451-V455 PolarHBondContact O-N 3.23Å; Y451-T473 WeakPolarHBondContact OH-CG2 3.49Å; Y451-E476 WeakPolarHBondContact CE1-OE2 3.32Å; Y451-E476 PolarHBondContact OH-OE2 2.88Å
452E93.3Very high95.6Very high112 Ų11232.6 Ų32.652%0.52318%0.184SC..Hα-helixtrans-65.6-38.9-179.9-59-169.1179.500113.3D450 F454 V455 R456 M480D450-E452 VanDerWaalsContact C-N 3.3Å; D450-E452 PolarHBondContact O-N 3.41Å; E452-F454 VanDerWaalsContact C-N 3.34Å; E452-V455 PolarHBondContact O-N 2.83Å; E452-R456 VanDerWaalsContact CB-NH1 3.28Å; E452-R456 WeakPolarHBondContact O-CB 3.14Å; E452-R456 VanDerWaalsContact O-CG 3.3Å; E452-R456 WeakPolarHBondContact O-CG 3.12Å; E452-R456 PolarHBondContact O-N 3.38Å; E452-R456 IonicContact OE2-CZ 3.68Å; E452-R456 IonicContact OE2-NH1 3.07Å; E452-R456 PolarHBondContact OE2-NH1 3.03Å; E452-R456 IonicContact OE2-NH2 3.36Å; E452-R456 PolarHBondContact OE2-NH2 3.22Å; E452-M480 HydrophobicContact CB-SD 4.07Å
453E94.8Very high95.9Very high62 Ų6229.9 Ų29.929%0.2917%0.165SC..Hα-helixtrans-65.2-42.9176.2-64.8-168.2103.700110.2A254 K257 L449 D450 Y451 V455 R456 G457A254-E453 VanDerWaalsContact CB-O 3.23Å; A254-E453 WeakPolarHBondContact CB-O 3.38Å; K257-E453 IonicContact NZ-OE1 3.31Å; K257-E453 PolarHBondContact NZ-OE1 2.96Å; K257-E453 IonicContact NZ-OE2 3.8Å; K257-E453 PolarHBondContact NZ-OE2 3.37Å; L449-E453 HydrophobicContact CB-CB 4.47Å; L449-E453 HydrophobicContact CD2-CB 3.55Å; D450-E453 PolarHBondContact O-N 3.45Å; D450-E453 VanDerWaalsContact O-N 3.08Å; Y451-E453 PolarHBondContact O-N 3.4Å; E453-V455 PolarHBondContact O-N 3Å; E453-R456 PolarHBondContact O-N 3.24Å; E453-G457 PolarHBondContact O-N 2.88Å
454F97.9Very high96.1Very high0 Ų023.8 Ų23.80%013%0.128CC..Hα-helixtrans-58.9-47.9175.9172.6-96.4000112.3I258 F281 F323 I325 L440 I447 L449 D450 Y451 E452 R456 G457 C458I258-F454 HydrophobicContact CD1-CD2 4.02Å; I258-F454 HydrophobicContact CD1-CE2 4.27Å; I258-F454 HydrophobicContact CG1-CD2 4.31Å; F281-F454 HydrophobicContact CB-CE1 3.81Å; F281-F454 HydrophobicContact CB-CZ 4.01Å; F281-F454 HydrophobicContact CD1-CE1 4.49Å; F281-F454 AromaticContact CD2-CE1 3.93Å; F281-F454 HydrophobicContact CD2-CE1 3.93Å; F281-F454 AromaticContact CG-CE1 3.83Å; F281-F454 HydrophobicContact CG-CE1 3.83Å; F281-F454 HydrophobicContact CG-CZ 4.47Å; F323-F454 HydrophobicContact CB-CE2 4.48Å; F323-F454 HydrophobicContact CB-CZ 3.69Å; F323-F454 AromaticContact CD1-CE2 3.95Å; F323-F454 HydrophobicContact CD1-CE2 3.95Å; F323-F454 AromaticContact CD1-CZ 4Å; F323-F454 HydrophobicContact CD1-CZ 4Å; F323-F454 HydrophobicContact CD2-CE2 4.14Å; F323-F454 AromaticContact CD2-CZ 3.94Å; F323-F454 HydrophobicContact CD2-CZ 3.94Å; F323-F454 HydrophobicContact CE1-CE2 4.12Å; F323-F454 HydrophobicContact CE2-CE2 4.32Å; F323-F454 AromaticContact CG-CE2 3.95Å; F323-F454 HydrophobicContact CG-CE2 3.95Å; F323-F454 AromaticContact CG-CZ 3.63Å; F323-F454 HydrophobicContact CG-CZ 3.63Å; F323-F454 HydrophobicContact CZ-CE2 4.32Å; I325-F454 HydrophobicContact CD1-CE1 4.44Å; I325-F454 HydrophobicContact CD1-CZ 4.24Å; I325-F454 HydrophobicContact CG1-CE1 4.06Å; I325-F454 HydrophobicContact CG1-CZ 4.3Å; L440-F454 HydrophobicContact CD1-CB 3.54Å; L440-F454 HydrophobicContact CD1-CD1 3.43Å; L440-F454 VanDerWaalsContact CD1-CD1 3.43Å; L440-F454 HydrophobicContact CD1-CD2 4.04Å; L440-F454 HydrophobicContact CD1-CE1 4.13Å; L440-F454 HydrophobicContact CD1-CG 3.37Å; I447-F454 HydrophobicContact CG2-CD2 4.46Å; L449-F454 HydrophobicContact CB-CB 4.19Å; L449-F454 HydrophobicContact CD1-CB 4.38Å; L449-F454 HydrophobicContact CD1-CD2 4.39Å; D450-F454 PolarHBondContact O-N 2.97Å; Y451-F454 WeakPolarHBondContact O-CB 3.34Å; Y451-F454 PolarHBondContact O-N 3.33Å; E452-F454 VanDerWaalsContact C-N 3.34Å; F454-R456 VanDerWaalsContact C-N 3.33Å; F454-R456 PolarHBondContact O-N 3.27Å; F454-G457 PolarHBondContact O-N 3.41Å; F454-G457 VanDerWaalsContact O-N 3.15Å; F454-C458 PolarHBondContact O-N 2.99Å; F454-C458 PolarHBondContact O-SG 2.95Å
455V96.9Very high96.3Very high0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-58.7-47.1176.5174.60000110.2F281 Y451 E452 E453 G457 C458 M480 I482F281-V455 HydrophobicContact CE1-CG1 4.14Å; F281-V455 HydrophobicContact CE1-CG2 4.42Å; F281-V455 HydrophobicContact CE2-CG2 3.78Å; F281-V455 HydrophobicContact CZ-CB 4.09Å; F281-V455 HydrophobicContact CZ-CG1 3.71Å; F281-V455 HydrophobicContact CZ-CG2 3.58Å; Y451-V455 HydrophobicContact CD1-CG2 4.42Å; Y451-V455 HydrophobicContact CD2-CG2 4.12Å; Y451-V455 HydrophobicContact CE1-CG2 4Å; Y451-V455 HydrophobicContact CE2-CG2 3.64Å; Y451-V455 HydrophobicContact CG-CG2 4.48Å; Y451-V455 WeakPolarHBondContact O-CG2 3.26Å; Y451-V455 PolarHBondContact O-N 3.23Å; E452-V455 PolarHBondContact O-N 2.83Å; E453-V455 PolarHBondContact O-N 3Å; V455-G457 VanDerWaalsContact C-N 3.25Å; V455-G457 PolarHBondContact O-N 3.24Å; V455-C458 WeakPolarHBondContact O-CB 3.49Å; V455-C458 PolarHBondContact O-N 3.4Å; V455-M480 HydrophobicContact CB-CE 3.71Å; V455-M480 HydrophobicContact CB-SD 4.04Å; V455-M480 HydrophobicContact CG1-CE 3.42Å; V455-M480 VanDerWaalsContact CG1-CE 3.42Å; V455-M480 HydrophobicContact CG1-SD 4Å; V455-M480 HydrophobicContact CG2-CE 4.21Å; V455-I482 HydrophobicContact CG1-CB 4.49Å; V455-I482 HydrophobicContact CG1-CG1 4.06Å; V455-I482 WeakPolarHBondContact O-CG1 3.12Å
456R94.9Very high96.4Very high39 Ų3921.1 Ų21.115%0.14711%0.106CC..Hα-helixtrans-58.1-35.1177.1-75.7177.4179.6105.23.4113H251 A254 E452 E453 F454 C458 M480H251-R456 PolarHBondContact ND1-O 3.47Å; A254-R456 HydrophobicContact CB-CB 4.29Å; E452-R456 VanDerWaalsContact CB-NH1 3.28Å; E452-R456 WeakPolarHBondContact O-CB 3.14Å; E452-R456 VanDerWaalsContact O-CG 3.3Å; E452-R456 WeakPolarHBondContact O-CG 3.12Å; E452-R456 PolarHBondContact O-N 3.38Å; E452-R456 IonicContact OE2-CZ 3.68Å; E452-R456 IonicContact OE2-NH1 3.07Å; E452-R456 PolarHBondContact OE2-NH1 3.03Å; E452-R456 IonicContact OE2-NH2 3.36Å; E452-R456 PolarHBondContact OE2-NH2 3.22Å; E453-R456 PolarHBondContact O-N 3.24Å; F454-R456 VanDerWaalsContact C-N 3.33Å; F454-R456 PolarHBondContact O-N 3.27Å; R456-C458 VanDerWaalsContact C-N 3.3Å; R456-M480 HydrophobicContact CG-CB 4.16Å; R456-M480 HydrophobicContact CG-CG 4.17Å; R456-M480 HydrophobicContact CG-SD 3.83Å
457G96.7Very high96.4Very high0 Ų021.2 Ų21.20%011%0.106CC..Hα-helixtrans-74.4-18.217700000114.2H251 E453 F454 V455H251-G457 PolarHBondContact CE1-O 2.88Å; H251-G457 VanDerWaalsContact CE1-O 3.3Å; E453-G457 PolarHBondContact O-N 2.88Å; F454-G457 PolarHBondContact O-N 3.41Å; F454-G457 VanDerWaalsContact O-N 3.15Å; V455-G457 VanDerWaalsContact C-N 3.25Å; V455-G457 PolarHBondContact O-N 3.24Å
458C98.3Very high96.5Very high0 Ų022.2 Ų22.20%011%0.111CC..  trans-77.9170.2179.5-75.70000113.5H251 F281 F454 V455 R456H251-C458 PolarHBondContact CE1-O 2.93Å; F281-C458 HydrophobicContact CD1-CB 3.54Å; F281-C458 HydrophobicContact CE1-CB 3.81Å; F454-C458 PolarHBondContact O-N 2.99Å; F454-C458 PolarHBondContact O-SG 2.95Å; V455-C458 WeakPolarHBondContact O-CB 3.49Å; V455-C458 PolarHBondContact O-N 3.4Å; R456-C458 VanDerWaalsContact C-N 3.3Å
459H98.3Very high96.6Very high7 Ų721.1 Ų21.13%0.03210%0.097CC..SBendtrans-109.8-34.7-178.6-60.772.5000112.6K255 M278 Y279 F532K255-H459 PolarHBondContact NZ-NE2 3.49Å; K255-H459 VanDerWaalsContact NZ-NE2 3.2Å; M278-H459 HydrophobicContact CB-CB 4.31Å; Y279-H459 AromaticContact CD2-CE1 3.61Å; Y279-H459 AromaticContact CD2-ND1 3.7Å; Y279-H459 AromaticContact CG-ND1 4Å; Y279-H459 PolarHBondContact N-ND1 3.32Å; Y279-H459 PolarHBondContact O-N 2.66Å; H459-F532 HydrophobicContact CB-CE1 4.03Å; H459-F532 HydrophobicContact CB-CZ 4.42Å; H459-F532 WeakPolarHBondContact O-CZ 3.43Å
460L98.8Very high96.5Very high1 Ų121.5 Ų21.51%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-147.6124.7180-173.470.1000110.2Y279 F280 F281 V462 P483 V485 Y509 M529 F532Y279-L460 PolarHBondContact O-N 3.27Å; F280-L460 VanDerWaalsContact CA-O 3.29Å; F280-L460 WeakPolarHBondContact CA-O 3.44Å; F280-L460 HydrophobicContact CD1-CB 3.49Å; F280-L460 VanDerWaalsContact CD1-CB 3.49Å; F280-L460 HydrophobicContact CD1-CD2 4.27Å; F280-L460 HydrophobicContact CD1-CG 4.48Å; F280-L460 HydrophobicContact CD2-CD2 4.25Å; F280-L460 HydrophobicContact CE1-CB 3.63Å; F280-L460 HydrophobicContact CE1-CD2 4.04Å; F280-L460 HydrophobicContact CE2-CD2 4.03Å; F280-L460 HydrophobicContact CG-CB 4.13Å; F280-L460 HydrophobicContact CG-CD2 4.39Å; F280-L460 HydrophobicContact CZ-CB 4.36Å; F280-L460 HydrophobicContact CZ-CD2 3.91Å; F281-L460 PolarHBondContact N-O 3.35Å; F281-L460 VanDerWaalsContact N-O 3.1Å; L460-V462 HydrophobicContact CD2-CG2 3.87Å; L460-V462 HydrophobicContact CG-CG2 3.94Å; L460-P483 WeakPolarHBondContact CA-O 3.41Å; L460-P483 HydrophobicContact CD1-CB 3.95Å; L460-V485 HydrophobicContact CD1-CG2 4.22Å; L460-V485 HydrophobicContact CD2-CG2 4.09Å; L460-V485 HydrophobicContact CG-CG2 4.3Å; L460-Y509 HydrophobicContact CD1-CD2 4.34Å; L460-Y509 HydrophobicContact CD1-CE2 4.23Å; L460-M529 HydrophobicContact CD2-CG 4.17Å; L460-F532 HydrophobicContact CB-CD1 4.48Å; L460-F532 HydrophobicContact CB-CE1 4.25Å; L460-F532 HydrophobicContact CB-CZ 4.42Å; L460-F532 HydrophobicContact CD1-CD2 4.18Å; L460-F532 HydrophobicContact CD1-CE2 4.22Å; L460-F532 HydrophobicContact CD2-CG 4.36Å
461G98.8Very high96.4Very high0 Ų018.3 Ų18.30%08%0.082CC..EExtended strand (participates in β ladder)trans-83.2136.4165.100000110.3F281 P483 S484 V485F281-G461 CarbonylContact O-C 3.55Å; G461-P483 PolarHBondContact N-O 2.93Å; G461-S484 CarbonylContact O-C 3.58Å; G461-S484 WeakPolarHBondContact O-CA 3.31Å; G461-V485 PolarHBondContact O-N 3.19Å
462V98.9Very high96.4Very high0 Ų019.6 Ų19.60%09%0.087CC..EExtended strand (participates in β ladder)trans-127101.7-175.9-1760000109F280 F281 T282 F296 L460 P464 V485 L525 M529F280-V462 HydrophobicContact CB-CG2 4.49Å; F281-V462 PolarHBondContact O-N 3.23Å; T282-V462 WeakPolarHBondContact CB-O 3.43Å; T282-V462 PolarHBondContact OG1-O 2.81Å; F296-V462 HydrophobicContact CD2-CB 4.06Å; F296-V462 HydrophobicContact CD2-CG1 3.42Å; F296-V462 VanDerWaalsContact CD2-CG1 3.42Å; F296-V462 HydrophobicContact CE2-CB 3.71Å; F296-V462 HydrophobicContact CE2-CG1 3.55Å; F296-V462 HydrophobicContact CE2-CG2 3.99Å; F296-V462 HydrophobicContact CG-CG1 4.14Å; F296-V462 HydrophobicContact CZ-CB 4.06Å; F296-V462 HydrophobicContact CZ-CG1 4.33Å; F296-V462 HydrophobicContact CZ-CG2 4.38Å; L460-V462 HydrophobicContact CD2-CG2 3.87Å; L460-V462 HydrophobicContact CG-CG2 3.94Å; V462-P464 VanDerWaalsContact C-CD 3.4Å; V462-P464 HydrophobicContact CG1-CG 4.4Å; V462-P464 WeakPolarHBondContact O-CD 3.45Å; V462-V485 HydrophobicContact CG1-CB 4.33Å; V462-V485 HydrophobicContact CG2-CG2 4.26Å; V462-L525 HydrophobicContact CG1-CD1 3.75Å; V462-L525 HydrophobicContact CG1-CD2 4.25Å; V462-M529 HydrophobicContact CG2-SD 4.38Å
463F98.6Very high96.5Very high5 Ų515.2 Ų15.22%0.0227%0.067CC..  trans-123.566.4-174.7-42.7-66.8000110.3F281 S465 T473 P474 V485 T486F281-F463 HydrophobicContact CD2-CE1 4.38Å; F281-F463 HydrophobicContact CD2-CZ 4.44Å; F281-F463 AromaticContact CE2-CE1 3.93Å; F281-F463 HydrophobicContact CE2-CE1 3.93Å; F281-F463 AromaticContact CE2-CZ 3.66Å; F281-F463 HydrophobicContact CE2-CZ 3.66Å; F281-F463 HydrophobicContact CZ-CE1 4.45Å; F281-F463 AromaticContact CZ-CZ 3.75Å; F281-F463 HydrophobicContact CZ-CZ 3.75Å; F463-S465 PolarHBondContact O-N 3.26Å; F463-T473 HydrophobicContact CD1-CG2 3.84Å; F463-T473 HydrophobicContact CE1-CG2 3.21Å; F463-T473 HydrophobicContact CE2-CG2 4.04Å; F463-T473 HydrophobicContact CG-CG2 4.49Å; F463-T473 HydrophobicContact CZ-CG2 3.32Å; F463-P474 HydrophobicContact CD2-CB 3.85Å; F463-P474 HydrophobicContact CD2-CG 4.3Å; F463-P474 HydrophobicContact CE2-CB 4.27Å; F463-V485 CarbonylContact C-O 3.55Å; F463-V485 WeakPolarHBondContact CA-O 3.31Å; F463-V485 PolarHBondContact N-O 3.14Å; F463-T486 WeakPolarHBondContact O-CA 3.43Å
464P97.9Very high96.6Very high0 Ų012.3 Ų12.30%05%0.054CC..  trans-79.350.9-175.737-37.2000110.4G292 L295 F296 V462 T487 R513 L525G292-P464 WeakPolarHBondContact O-CG 3.43Å; L295-P464 HydrophobicContact CB-CG 4.46Å; L295-P464 HydrophobicContact CD2-CB 3.55Å; L295-P464 HydrophobicContact CD2-CG 4.08Å; F296-P464 HydrophobicContact CB-CG 4.11Å; V462-P464 VanDerWaalsContact C-CD 3.4Å; V462-P464 HydrophobicContact CG1-CG 4.4Å; V462-P464 WeakPolarHBondContact O-CD 3.45Å; P464-T487 HydrophobicContact CB-CG2 4.15Å; P464-R513 WeakPolarHBondContact O-CD 3.34Å; P464-R513 PolarHBondContact O-NH1 3.32Å; P464-L525 HydrophobicContact CB-CD2 3.94Å; P464-L525 HydrophobicContact CG-CD2 3.88Å
465S96.1Very high96.5Very high4 Ų412.4 Ų12.43%0.0286%0.055CC..  trans-59.1140.5-171.9-59.50000113.1N290 F463 T487N290-S465 CarbonylContact O-C 3.14Å; N290-S465 VanDerWaalsContact O-CA 3.25Å; N290-S465 WeakPolarHBondContact O-CA 3.39Å; N290-S465 VanDerWaalsContact O-CB 3.29Å; N290-S465 WeakPolarHBondContact O-CB 3.19Å; F463-S465 PolarHBondContact O-N 3.26Å; S465-T487 VanDerWaalsContact O-CG2 3.32Å; S465-T487 WeakPolarHBondContact O-CG2 3.25Å; S465-T487 PolarHBondContact O-OG1 3.23Å
466Y95.4Very high96.4Very high32 Ų3215.1 Ų15.113%0.1257%0.068CC..SBendtrans-81.6-45.8168.4-175.7-111.9000110.8D173 F174 Y175 S289 N290 L489D173-Y466 PolarHBondContact OD1-OH 3.18Å; F174-Y466 HydrophobicContact CB-CE1 4.06Å; F174-Y466 PolarHBondContact N-OH 2.95Å; Y175-Y466 HydrophobicContact CD2-CE1 4.19Å; Y175-Y466 HydrophobicContact CD2-CE2 4.06Å; Y175-Y466 AromaticContact CD2-CZ 3.83Å; Y175-Y466 HydrophobicContact CE2-CE1 4.42Å; Y175-Y466 WeakPolarHBondContact CE2-O 3.32Å; Y175-Y466 PolarHBondContact N-OH 2.96Å; S289-Y466 WeakPolarHBondContact O-CB 3.36Å; N290-Y466 PolarHBondContact O-N 3.28Å; Y466-L489 HydrophobicContact CD2-CD1 3.75Å; Y466-L489 HydrophobicContact CE2-CD1 4Å; Y466-L489 WeakPolarHBondContact O-CB 3.39Å
467Y94.9Very high96.4Very high10 Ų1013.3 Ų13.34%0.0396%0.061CC..SBendtrans-125.5104.4-177-177.2-100.1000109.8R165 C168 F174 E219 N290 P469R165-Y467 HydrophobicContact CG-CE1 3.89Å; R165-Y467 WeakPolarHBondContact CG-OH 3.43Å; R165-Y467 PolarHBondContact N-OH 2.98Å; C168-Y467 HydrophobicContact CB-CD1 4.28Å; C168-Y467 HydrophobicContact CB-CD2 4.05Å; C168-Y467 HydrophobicContact CB-CG 3.87Å; C168-Y467 WeakPolarHBondContact SG-CD2 3.27Å; F174-Y467 HydrophobicContact CD1-CD2 4.38Å; F174-Y467 HydrophobicContact CE1-CD2 4.13Å; F174-Y467 AromaticContact CE1-CE2 4Å; F174-Y467 HydrophobicContact CE1-CE2 4Å; E219-Y467 VanDerWaalsContact OE1-CE2 3.28Å; E219-Y467 WeakPolarHBondContact OE1-CE2 3.37Å; N290-Y467 PolarHBondContact O-N 3.44Å; Y467-P469 HydrophobicContact CE1-CG 4.08Å
468E94.9Very high96.3Very high24 Ų2413.3 Ų13.311%0.1126%0.061CC..BIsolated β-bridgetrans-149.291.5-176.4-171.667.7-103.600111K291 W470 G471 S490 G491K291-E468 IonicContact NZ-OE1 3.46Å; K291-E468 IonicContact NZ-OE2 3.58Å; K291-E468 PolarHBondContact NZ-OE2 3.24Å; E468-W470 PolarHBondContact O-N 2.87Å; E468-W470 VanDerWaalsContact O-N 3.09Å; E468-G471 PolarHBondContact OE1-N 3.27Å; E468-S490 VanDerWaalsContact O-CA 3.32Å; E468-S490 WeakPolarHBondContact O-CA 3.14Å; E468-G491 PolarHBondContact O-N 3.02Å
469P95.7Very high96Very high13 Ų1314.7 Ų14.78%0.0847%0.069CC..SBendtrans-56.1-33.6-176.3-26.933.4000113.7H159 A160 V212 S213 T216 Y467 G491H159-P469 WeakPolarHBondContact O-CB 3.3Å; A160-P469 HydrophobicContact CB-CB 4.31Å; A160-P469 HydrophobicContact CB-CG 3.7Å; V212-P469 HydrophobicContact CG2-CB 4.21Å; S213-P469 WeakPolarHBondContact CB-O 3.37Å; S213-P469 PolarHBondContact OG-O 3.37Å; T216-P469 PolarHBondContact OG1-O 2.8Å; Y467-P469 HydrophobicContact CE1-CG 4.08Å; P469-G491 WeakPolarHBondContact O-CA 3.31Å
470W95.3Very high95.7Very high11 Ų1114.8 Ų14.84%0.0427%0.07CC..SBendtrans-126.2-70.5170.4-177.6-110.5000112.1V212 P233 N234 E468 Y472 G491 F492 F495V212-W470 VanDerWaalsContact O-CE3 3.3Å; P233-W470 HydrophobicContact CB-CH2 3.51Å; P233-W470 HydrophobicContact CB-CZ2 4.35Å; P233-W470 HydrophobicContact CB-CZ3 3.64Å; N234-W470 HydrophobicContact CB-CD2 3.91Å; N234-W470 HydrophobicContact CB-CG 3.84Å; N234-W470 WeakPolarHBondContact O-CZ2 3.4Å; N234-W470 PolarHBondContact O-NE1 3.29Å; N234-W470 VanDerWaalsContact O-NE1 3.12Å; E468-W470 PolarHBondContact O-N 2.87Å; E468-W470 VanDerWaalsContact O-N 3.09Å; W470-Y472 AromaticContact CD1-CD1 3.84Å; W470-Y472 AromaticContact CD1-CE1 3.86Å; W470-Y472 AromaticContact CD1-CG 3.93Å; W470-Y472 AromaticContact CD1-CZ 3.96Å; W470-G491 CarbonylContact O-C 3.53Å; W470-G491 WeakPolarHBondContact O-CA 3.35Å; W470-G491 PolarHBondContact O-N 3.36Å; W470-F492 WeakPolarHBondContact O-CB 3.46Å; W470-F492 PolarHBondContact O-N 2.88Å; W470-F495 HydrophobicContact CH2-CB 3.91Å; W470-F495 HydrophobicContact CH2-CD1 4.11Å; W470-F495 HydrophobicContact CH2-CD2 4.45Å; W470-F495 AromaticContact CH2-CG 3.9Å; W470-F495 HydrophobicContact CH2-CG 3.9Å; W470-F495 HydrophobicContact CZ3-CB 4.07Å; W470-F495 HydrophobicContact CZ3-CG 4.42Å
471G93.7Very high95.4Very high2 Ų214.8 Ų14.82%0.0217%0.07CC..  trans92.982.9-174.400000112E468 P474E468-G471 PolarHBondContact OE1-N 3.27Å; G471-P474 WeakPolarHBondContact O-CD 3.16Å; G471-P474 WeakPolarHBondContact O-CG 3.15Å
472Y94.3Very high95.3Very high90 Ų9014.8 Ų14.835%0.3537%0.07SC..Hα-helixtrans-71.8-37.9178.9-74.5-79.5000113N234 L236 W470 G475 E476N234-Y472 HydrophobicContact CB-CE1 3.85Å; N234-Y472 WeakPolarHBondContact CB-OH 3.35Å; N234-Y472 VanDerWaalsContact CG-OH 3.24Å; N234-Y472 PolarHBondContact ND2-OH 3.03Å; L236-Y472 HydrophobicContact CD2-CD1 3.95Å; L236-Y472 HydrophobicContact CD2-CE1 4.43Å; W470-Y472 AromaticContact CD1-CD1 3.84Å; W470-Y472 AromaticContact CD1-CE1 3.86Å; W470-Y472 AromaticContact CD1-CG 3.93Å; W470-Y472 AromaticContact CD1-CZ 3.96Å; Y472-G475 CarbonylContact O-C 3.56Å; Y472-G475 WeakPolarHBondContact O-CA 3.31Å; Y472-G475 PolarHBondContact O-N 3.46Å; Y472-E476 WeakPolarHBondContact O-CG 3.38Å; Y472-E476 PolarHBondContact O-N 3.05Å
473T95.8Very high95.3Very high19 Ų1914.9 Ų14.912%0.1177%0.071CC..Hα-helixtrans-52-48.4-176.4-26.30000114.3A283 Y451 F463 G475 E476 C477A283-T473 HydrophobicContact CB-CG2 4.48Å; Y451-T473 WeakPolarHBondContact OH-CG2 3.49Å; F463-T473 HydrophobicContact CD1-CG2 3.84Å; F463-T473 HydrophobicContact CE1-CG2 3.21Å; F463-T473 HydrophobicContact CE2-CG2 4.04Å; F463-T473 HydrophobicContact CG-CG2 4.49Å; F463-T473 HydrophobicContact CZ-CG2 3.32Å; T473-G475 VanDerWaalsContact C-N 3.33Å; T473-G475 PolarHBondContact O-N 3.13Å; T473-E476 PolarHBondContact O-N 3.45Å; T473-C477 PolarHBondContact O-N 3.09Å; T473-C477 PolarHBondContact O-SG 2.92Å
474P97.3Very high95.3Very high2 Ų214.7 Ų14.71%0.0137%0.07CC..Hα-helixtrans-66.5-32.7174.225.7-35.2000113.2F463 G471 C477 T478 F492F463-P474 HydrophobicContact CD2-CB 3.85Å; F463-P474 HydrophobicContact CD2-CG 4.3Å; F463-P474 HydrophobicContact CE2-CB 4.27Å; G471-P474 WeakPolarHBondContact O-CD 3.16Å; G471-P474 WeakPolarHBondContact O-CG 3.15Å; P474-C477 WeakPolarHBondContact O-CB 3.3Å; P474-C477 PolarHBondContact O-N 3.36Å; P474-T478 PolarHBondContact O-N 2.85Å; P474-T478 PolarHBondContact O-OG1 2.96Å; P474-T478 VanDerWaalsContact O-OG1 3.06Å; P474-F492 HydrophobicContact CB-CD1 3.61Å; P474-F492 HydrophobicContact CB-CE1 3.57Å; P474-F492 HydrophobicContact CB-CG 4.22Å; P474-F492 HydrophobicContact CB-CZ 4.12Å; P474-F492 HydrophobicContact CG-CB 4.12Å; P474-F492 HydrophobicContact CG-CD1 3.52Å; P474-F492 HydrophobicContact CG-CD2 4.44Å; P474-F492 HydrophobicContact CG-CE1 4.03Å; P474-F492 HydrophobicContact CG-CG 3.76Å
475G95.1Very high95.3Very high2 Ų214.7 Ų14.72%0.0217%0.07CC..Hα-helixtrans-68.1-39.3174.300000113.1L236 Y472 T473 T478 V479L236-G475 VanDerWaalsContact CD1-C 3.45Å; Y472-G475 CarbonylContact O-C 3.56Å; Y472-G475 WeakPolarHBondContact O-CA 3.31Å; Y472-G475 PolarHBondContact O-N 3.46Å; T473-G475 VanDerWaalsContact C-N 3.33Å; T473-G475 PolarHBondContact O-N 3.13Å; G475-T478 WeakPolarHBondContact O-CB 3.25Å; G475-T478 PolarHBondContact O-N 3.41Å; G475-T478 VanDerWaalsContact O-N 3.16Å; G475-V479 WeakPolarHBondContact O-CG2 3.35Å; G475-V479 PolarHBondContact O-N 2.88Å
476E94.4Very high95.4Very high57 Ų5714.6 Ų14.627%0.2667%0.069SC..Hα-helixtrans-61.5-45.2172-70.4165.8-179.900110.7Y451 Y472 T473 T478 V479 M480Y451-E476 WeakPolarHBondContact CE1-OE2 3.32Å; Y451-E476 PolarHBondContact OH-OE2 2.88Å; Y472-E476 WeakPolarHBondContact O-CG 3.38Å; Y472-E476 PolarHBondContact O-N 3.05Å; T473-E476 PolarHBondContact O-N 3.45Å; E476-T478 VanDerWaalsContact C-N 3.3Å; E476-T478 PolarHBondContact O-N 3.44Å; E476-V479 PolarHBondContact O-N 3.37Å; E476-M480 HydrophobicContact CB-CE 3.81Å; E476-M480 WeakPolarHBondContact O-CB 3.4Å; E476-M480 VanDerWaalsContact O-CE 3.24Å; E476-M480 WeakPolarHBondContact O-CE 3.39Å; E476-M480 WeakPolarHBondContact O-CG 3.26Å; E476-M480 PolarHBondContact O-N 2.91Å
477C95.9Very high95.6Very high0 Ų013 Ų130%06%0.063CC..Hα-helixtrans-54.6-46.8170.6-76.50000111.1F281 T473 P474 V479 M480 G481 I482F281-C477 VanDerWaalsContact CZ-SG 3.58Å; T473-C477 PolarHBondContact O-N 3.09Å; T473-C477 PolarHBondContact O-SG 2.92Å; P474-C477 WeakPolarHBondContact O-CB 3.3Å; P474-C477 PolarHBondContact O-N 3.36Å; C477-V479 PolarHBondContact O-N 2.8Å; C477-M480 CarbonylContact O-C 3.57Å; C477-M480 PolarHBondContact O-N 2.63Å; C477-G481 CarbonylContact O-C 3.46Å; C477-G481 PolarHBondContact O-N 2.76Å; C477-I482 CarbonylContact C-O 3.54Å; C477-I482 HydrophobicContact CB-CB 4.13Å; C477-I482 WeakPolarHBondContact CB-O 3.38Å; C477-I482 PolarHBondContact O-N 3.42Å
478T94.7Very high95.7Very high0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-59.1-47178.2-62.80000112.9P474 G475 E476 M480 G481 T547 L550 L554P474-T478 PolarHBondContact O-N 2.85Å; P474-T478 PolarHBondContact O-OG1 2.96Å; P474-T478 VanDerWaalsContact O-OG1 3.06Å; G475-T478 WeakPolarHBondContact O-CB 3.25Å; G475-T478 PolarHBondContact O-N 3.41Å; G475-T478 VanDerWaalsContact O-N 3.16Å; E476-T478 VanDerWaalsContact C-N 3.3Å; E476-T478 PolarHBondContact O-N 3.44Å; T478-M480 VanDerWaalsContact C-N 3.27Å; T478-M480 PolarHBondContact O-N 2.82Å; T478-G481 WeakPolarHBondContact O-CA 3.45Å; T478-G481 PolarHBondContact O-N 2.83Å; T478-T547 HydrophobicContact CG2-CG2 4.44Å; T478-T547 WeakPolarHBondContact CG2-O 3.28Å; T478-L550 HydrophobicContact CG2-CB 3.6Å; T478-L554 HydrophobicContact CG2-CD1 3.67Å
479V91.7Very high95.7Very high29 Ų2913 Ų1318%0.1767%0.065CC..Hα-helixtrans-64-35.6177.2173.20000111.5L236 V238 G475 E476 C477 G481L236-V479 HydrophobicContact CB-CG2 4.41Å; L236-V479 HydrophobicContact CD1-CG2 3.72Å; V238-V479 HydrophobicContact CG1-CG1 4.39Å; V238-V479 HydrophobicContact CG2-CG2 3.88Å; G475-V479 WeakPolarHBondContact O-CG2 3.35Å; G475-V479 PolarHBondContact O-N 2.88Å; E476-V479 PolarHBondContact O-N 3.37Å; C477-V479 PolarHBondContact O-N 2.8Å; V479-G481 PolarHBondContact O-N 3.42Å
480M91.6Very high95.8Very high10 Ų1012.5 Ų12.55%0.0496%0.061CC..THydrogen-bonded Turntrans-87.520172.2-65.2-177.8-84.600112.3F247 E452 V455 R456 E476 C477 T478 I482F247-M480 WeakPolarHBondContact CE2-O 3.4Å; F247-M480 WeakPolarHBondContact CZ-O 3.44Å; E452-M480 HydrophobicContact CB-SD 4.07Å; V455-M480 HydrophobicContact CB-CE 3.71Å; V455-M480 HydrophobicContact CB-SD 4.04Å; V455-M480 HydrophobicContact CG1-CE 3.42Å; V455-M480 VanDerWaalsContact CG1-CE 3.42Å; V455-M480 HydrophobicContact CG1-SD 4Å; V455-M480 HydrophobicContact CG2-CE 4.21Å; R456-M480 HydrophobicContact CG-CB 4.16Å; R456-M480 HydrophobicContact CG-CG 4.17Å; R456-M480 HydrophobicContact CG-SD 3.83Å; E476-M480 HydrophobicContact CB-CE 3.81Å; E476-M480 WeakPolarHBondContact O-CB 3.4Å; E476-M480 VanDerWaalsContact O-CE 3.24Å; E476-M480 WeakPolarHBondContact O-CE 3.39Å; E476-M480 WeakPolarHBondContact O-CG 3.26Å; E476-M480 PolarHBondContact O-N 2.91Å; C477-M480 CarbonylContact O-C 3.57Å; C477-M480 PolarHBondContact O-N 2.63Å; T478-M480 VanDerWaalsContact C-N 3.27Å; T478-M480 PolarHBondContact O-N 2.82Å; M480-I482 HydrophobicContact CB-CG1 4.34Å; M480-I482 WeakPolarHBondContact O-CD1 3.39Å; M480-I482 VanDerWaalsContact O-CG1 3.28Å; M480-I482 WeakPolarHBondContact O-CG1 3.37Å; M480-I482 PolarHBondContact O-N 2.75Å
481G93Very high95.9Very high0 Ų012 Ų120%06%0.059CC..THydrogen-bonded Turntrans47.319.8-179.600000117C477 T478 V479 P483 R544C477-G481 CarbonylContact O-C 3.46Å; C477-G481 PolarHBondContact O-N 2.76Å; T478-G481 WeakPolarHBondContact O-CA 3.45Å; T478-G481 PolarHBondContact O-N 2.83Å; V479-G481 PolarHBondContact O-N 3.42Å; G481-P483 WeakPolarHBondContact O-CD 3.32Å; G481-R544 VanDerWaalsContact O-CA 3.27Å; G481-R544 WeakPolarHBondContact O-CA 3.3Å; G481-R544 WeakPolarHBondContact O-CB 3.39Å; G481-R544 VanDerWaalsContact O-CG 3.23Å; G481-R544 WeakPolarHBondContact O-CG 3.43Å
482I96.1Very high96.1Very high0 Ų011.9 Ų11.90%06%0.058CC..  trans-84.4121.8175.9-55.7-49.6000108.2V455 C477 M480V455-I482 HydrophobicContact CG1-CB 4.49Å; V455-I482 HydrophobicContact CG1-CG1 4.06Å; V455-I482 WeakPolarHBondContact O-CG1 3.12Å; C477-I482 CarbonylContact C-O 3.54Å; C477-I482 HydrophobicContact CB-CB 4.13Å; C477-I482 WeakPolarHBondContact CB-O 3.38Å; C477-I482 PolarHBondContact O-N 3.42Å; M480-I482 HydrophobicContact CB-CG1 4.34Å; M480-I482 WeakPolarHBondContact O-CD1 3.39Å; M480-I482 VanDerWaalsContact O-CG1 3.28Å; M480-I482 WeakPolarHBondContact O-CG1 3.37Å; M480-I482 PolarHBondContact O-N 2.75Å
483P98.3Very high96.2Very high3 Ų37.6 Ų7.62%0.0194%0.042CC..  trans-53.7146.3171.1-27.637.4000110.9L460 G461 G481 G507 Y509 F532 M543L460-P483 WeakPolarHBondContact CA-O 3.41Å; L460-P483 HydrophobicContact CD1-CB 3.95Å; G461-P483 PolarHBondContact N-O 2.93Å; G481-P483 WeakPolarHBondContact O-CD 3.32Å; P483-G507 CarbonylContact C-O 3.52Å; P483-G507 WeakPolarHBondContact CA-O 3.07Å; P483-G507 WeakPolarHBondContact CB-O 3.43Å; P483-Y509 HydrophobicContact CB-CE2 4.43Å; P483-F532 HydrophobicContact CB-CE2 3.92Å; P483-F532 HydrophobicContact CG-CE2 3.99Å; P483-F532 HydrophobicContact CG-CZ 4.42Å; P483-M543 HydrophobicContact CB-CG 4.42Å; P483-M543 HydrophobicContact CG-CB 4.46Å; P483-M543 HydrophobicContact CG-CG 3.76Å
484S98.6Very high96.3Very high0 Ų07.7 Ų7.70%04%0.042CC..EExtended strand (participates in β ladder)trans-143.7151.2179.264.10000113.6G461 G507 V508 Y509G461-S484 CarbonylContact O-C 3.58Å; G461-S484 WeakPolarHBondContact O-CA 3.31Å; S484-G507 PolarHBondContact N-O 3.1Å; S484-V508 WeakPolarHBondContact O-CA 3.49Å; S484-Y509 PolarHBondContact O-N 3.39Å
485V98.8Very high96.2Very high0 Ų08.2 Ų8.20%05%0.045CC..EExtended strand (participates in β ladder)trans-98.4132.4169.5-169.70000108.7L460 G461 V462 F463 Y509 V511 L525L460-V485 HydrophobicContact CD1-CG2 4.22Å; L460-V485 HydrophobicContact CD2-CG2 4.09Å; L460-V485 HydrophobicContact CG-CG2 4.3Å; G461-V485 PolarHBondContact O-N 3.19Å; V462-V485 HydrophobicContact CG1-CB 4.33Å; V462-V485 HydrophobicContact CG2-CG2 4.26Å; F463-V485 CarbonylContact C-O 3.55Å; F463-V485 WeakPolarHBondContact CA-O 3.31Å; F463-V485 PolarHBondContact N-O 3.14Å; V485-Y509 CarbonylContact C-O 3.58Å; V485-Y509 VanDerWaalsContact CA-O 3.32Å; V485-Y509 WeakPolarHBondContact CA-O 3.21Å; V485-Y509 HydrophobicContact CG2-CD2 4.37Å; V485-Y509 HydrophobicContact CG2-CG 4.47Å; V485-V511 HydrophobicContact CG1-CG2 3.53Å; V485-L525 HydrophobicContact CB-CD1 4.25Å; V485-L525 HydrophobicContact CG1-CD1 3.69Å; V485-L525 HydrophobicContact CG2-CD1 4.23Å
486T98.4Very high96.3Very high2 Ų28.1 Ų8.11%0.0124%0.044CC..EExtended strand (participates in β ladder)trans-133.8-170.5174.7-164.60000109.9F463 S490 F492 V508 Y509 I510 V511F463-T486 WeakPolarHBondContact O-CA 3.43Å; T486-S490 PolarHBondContact OG1-OG 3.44Å; T486-F492 HydrophobicContact CG2-CD1 4.02Å; T486-F492 HydrophobicContact CG2-CE1 4.28Å; T486-V508 HydrophobicContact CG2-CG1 4.16Å; T486-Y509 PolarHBondContact N-O 2.65Å; T486-I510 HydrophobicContact CG2-CG1 3.96Å; T486-V511 PolarHBondContact O-N 3.11Å
487T98.2Very high96.3Very high0 Ų011.2 Ų11.20%06%0.058CC..EExtended strand (participates in β ladder)trans-131.7160.8179.874.20000113P464 S465 L489 S490 V511 R513P464-T487 HydrophobicContact CB-CG2 4.15Å; S465-T487 VanDerWaalsContact O-CG2 3.32Å; S465-T487 WeakPolarHBondContact O-CG2 3.25Å; S465-T487 PolarHBondContact O-OG1 3.23Å; T487-L489 PolarHBondContact O-N 3.34Å; T487-L489 PolarHBondContact OG1-N 3.26Å; T487-L489 VanDerWaalsContact OG1-N 3.14Å; T487-S490 PolarHBondContact O-N 3.29Å; T487-S490 VanDerWaalsContact O-N 3.12Å; T487-S490 PolarHBondContact O-OG 3.34Å; T487-S490 PolarHBondContact OG1-N 3.33Å; T487-V511 VanDerWaalsContact CA-O 3.25Å; T487-V511 WeakPolarHBondContact CA-O 3.49Å; T487-V511 HydrophobicContact CG2-CB 4.4Å; T487-R513 HydrophobicContact CG2-CG 3.95Å
488N97Very high96.2Very high33 Ų3315.6 Ų15.618%0.1768%0.081CC..THydrogen-bonded Turntrans-74.35.5167.864.8-7.6000113.9C494 I510 V511 D512 R513 R514N488-C494 PolarHBondContact O-SG 2.91Å; N488-I510 HydrophobicContact CB-CG2 4.16Å; N488-V511 PolarHBondContact N-O 2.84Å; N488-V511 PolarHBondContact OD1-O 3.44Å; N488-D512 PolarHBondContact ND2-OD1 3.14Å; N488-R513 PolarHBondContact OD1-N 3.28Å; N488-R514 PolarHBondContact OD1-N 3.26Å
489L96.7Very high96.2Very high1 Ų119.8 Ų19.81%0.00510%0.101CC..THydrogen-bonded Turntrans-1048166.3-64.5179.7000112.4Y175 I215 Y466 T487 R513 R514Y175-L489 HydrophobicContact CD1-CD2 3.97Å; Y175-L489 HydrophobicContact CD2-CD1 3.76Å; Y175-L489 HydrophobicContact CD2-CD2 3.74Å; Y175-L489 HydrophobicContact CD2-CG 4.3Å; Y175-L489 HydrophobicContact CE1-CD2 4.17Å; Y175-L489 HydrophobicContact CE2-CB 4.32Å; Y175-L489 HydrophobicContact CE2-CD1 3.99Å; Y175-L489 HydrophobicContact CE2-CD2 3.94Å; Y175-L489 HydrophobicContact CE2-CG 4.32Å; Y175-L489 HydrophobicContact CG-CD1 4.46Å; Y175-L489 HydrophobicContact CG-CD2 3.73Å; I215-L489 HydrophobicContact CD1-CD2 4.03Å; Y466-L489 HydrophobicContact CD2-CD1 3.75Å; Y466-L489 HydrophobicContact CE2-CD1 4Å; Y466-L489 WeakPolarHBondContact O-CB 3.39Å; T487-L489 PolarHBondContact O-N 3.34Å; T487-L489 PolarHBondContact OG1-N 3.26Å; T487-L489 VanDerWaalsContact OG1-N 3.14Å; L489-R513 HydrophobicContact CD1-CB 3.63Å; L489-R513 HydrophobicContact CG-CB 4.07Å; L489-R514 HydrophobicContact CD2-CB 3.81Å; L489-R514 HydrophobicContact CD2-CG 4.2Å; L489-R514 HydrophobicContact CG-CB 4.29Å
490S97.2Very high96.3Very high1 Ų119 Ų191%0.00710%0.096CC..BIsolated β-bridgetrans-107.7141.5174.474.10000110.9E468 T486 T487 F492 G493 C494E468-S490 VanDerWaalsContact O-CA 3.32Å; E468-S490 WeakPolarHBondContact O-CA 3.14Å; T486-S490 PolarHBondContact OG1-OG 3.44Å; T487-S490 PolarHBondContact O-N 3.29Å; T487-S490 VanDerWaalsContact O-N 3.12Å; T487-S490 PolarHBondContact O-OG 3.34Å; T487-S490 PolarHBondContact OG1-N 3.33Å; S490-F492 VanDerWaalsContact C-N 3.32Å; S490-F492 PolarHBondContact O-N 3.34Å; S490-G493 PolarHBondContact O-N 3.37Å; S490-G493 WeakPolarHBondContact OG-CA 3.38Å; S490-G493 PolarHBondContact OG-N 2.97Å; S490-C494 PolarHBondContact O-N 3.04Å; S490-C494 PolarHBondContact O-SG 3.05Å; S490-C494 VanDerWaalsContact O-SG 3.33Å
491G97.4Very high96.4Very high1 Ų124 Ų241%0.0114%0.139CC..Hα-helixtrans-59.9-40.3178.300000114.1E468 P469 W470 F495E468-G491 PolarHBondContact O-N 3.02Å; P469-G491 WeakPolarHBondContact O-CA 3.31Å; W470-G491 CarbonylContact O-C 3.53Å; W470-G491 WeakPolarHBondContact O-CA 3.35Å; W470-G491 PolarHBondContact O-N 3.36Å; G491-F495 WeakPolarHBondContact O-CB 3.42Å; G491-F495 PolarHBondContact O-N 3.43Å
492F97.4Very high96.5Very high0 Ų028.1 Ų28.10%016%0.161CC..Hα-helixtrans-62.8-45.6174.4173.3-89.6000111.2W470 P474 T486 S490 F495 I496 V508 L554W470-F492 WeakPolarHBondContact O-CB 3.46Å; W470-F492 PolarHBondContact O-N 2.88Å; P474-F492 HydrophobicContact CB-CD1 3.61Å; P474-F492 HydrophobicContact CB-CE1 3.57Å; P474-F492 HydrophobicContact CB-CG 4.22Å; P474-F492 HydrophobicContact CB-CZ 4.12Å; P474-F492 HydrophobicContact CG-CB 4.12Å; P474-F492 HydrophobicContact CG-CD1 3.52Å; P474-F492 HydrophobicContact CG-CD2 4.44Å; P474-F492 HydrophobicContact CG-CE1 4.03Å; P474-F492 HydrophobicContact CG-CG 3.76Å; T486-F492 HydrophobicContact CG2-CD1 4.02Å; T486-F492 HydrophobicContact CG2-CE1 4.28Å; S490-F492 VanDerWaalsContact C-N 3.32Å; S490-F492 PolarHBondContact O-N 3.34Å; F492-F495 PolarHBondContact O-N 3.04Å; F492-I496 HydrophobicContact CD1-CG1 4.19Å; F492-I496 HydrophobicContact CD2-CG1 4.36Å; F492-I496 HydrophobicContact CE1-CG1 3.69Å; F492-I496 HydrophobicContact CE2-CD1 4.17Å; F492-I496 HydrophobicContact CE2-CG1 3.9Å; F492-I496 HydrophobicContact CG-CG1 4.5Å; F492-I496 HydrophobicContact CZ-CD1 4.05Å; F492-I496 HydrophobicContact CZ-CG1 3.54Å; F492-I496 WeakPolarHBondContact O-CG1 3.38Å; F492-I496 PolarHBondContact O-N 3.32Å; F492-V508 HydrophobicContact CE1-CG1 3.86Å; F492-L554 HydrophobicContact CD2-CD2 4.18Å; F492-L554 HydrophobicContact CE2-CD1 3.79Å; F492-L554 HydrophobicContact CE2-CD2 3.8Å; F492-L554 HydrophobicContact CE2-CG 4.45Å
493G97.4Very high96.5Very high0 Ų029 Ų290%017%0.167CC..Hα-helixtrans-62-45.1178.400000112.2S490 F495 H497 I510S490-G493 PolarHBondContact O-N 3.37Å; S490-G493 WeakPolarHBondContact OG-CA 3.38Å; S490-G493 PolarHBondContact OG-N 2.97Å; G493-F495 PolarHBondContact O-N 3.41Å; G493-H497 VanDerWaalsContact O-CB 3.29Å; G493-H497 WeakPolarHBondContact O-CB 3.49Å; G493-H497 PolarHBondContact O-N 2.9Å; G493-I510 WeakPolarHBondContact O-CD1 3.35Å
494C96.4Very high96.4Very high20 Ų2032.4 Ų32.414%0.13518%0.183CC..Hα-helixtrans-59.7-45.7172.6-62.40000111.7N488 S490 I496 H497 D498N488-C494 PolarHBondContact O-SG 2.91Å; S490-C494 PolarHBondContact O-N 3.04Å; S490-C494 PolarHBondContact O-SG 3.05Å; S490-C494 VanDerWaalsContact O-SG 3.33Å; C494-I496 PolarHBondContact O-N 3.05Å; C494-H497 PolarHBondContact O-N 3.07Å; C494-D498 VanDerWaalsContact O-CG 3.26Å; C494-D498 PolarHBondContact O-N 3.3Å
495F96.4Very high96.3Very high14 Ų1434 Ų346%0.06119%0.194CC..Hα-helixtrans-61.7-46.1-179.2176.9-99.6000112.3P233 W470 G491 F492 G493 D498 H499 L553 L554 L559P233-F495 HydrophobicContact CB-CD2 4.15Å; P233-F495 HydrophobicContact CB-CE2 4.22Å; P233-F495 HydrophobicContact CG-CD2 3.79Å; P233-F495 HydrophobicContact CG-CE2 3.82Å; W470-F495 HydrophobicContact CH2-CB 3.91Å; W470-F495 HydrophobicContact CH2-CD1 4.11Å; W470-F495 HydrophobicContact CH2-CD2 4.45Å; W470-F495 AromaticContact CH2-CG 3.9Å; W470-F495 HydrophobicContact CH2-CG 3.9Å; W470-F495 HydrophobicContact CZ3-CB 4.07Å; W470-F495 HydrophobicContact CZ3-CG 4.42Å; G491-F495 WeakPolarHBondContact O-CB 3.42Å; G491-F495 PolarHBondContact O-N 3.43Å; F492-F495 PolarHBondContact O-N 3.04Å; G493-F495 PolarHBondContact O-N 3.41Å; F495-D498 PolarHBondContact O-N 3.18Å; F495-H499 AromaticContact CD2-CE1 3.53Å; F495-H499 AromaticContact CD2-ND1 3.57Å; F495-H499 AromaticContact CE2-CE1 3.39Å; F495-H499 WeakPolarHBondContact CE2-CE1 3.41Å; F495-H499 AromaticContact CE2-ND1 3.56Å; F495-H499 AromaticContact CE2-NE2 3.82Å; F495-H499 PolarHBondContact O-N 2.91Å; F495-H499 PolarHBondContact O-ND1 3.35Å; F495-L553 HydrophobicContact CE1-CD1 4.47Å; F495-L553 HydrophobicContact CE1-CD2 3.73Å; F495-L553 HydrophobicContact CE1-CG 3.65Å; F495-L553 HydrophobicContact CZ-CD1 4.21Å; F495-L553 HydrophobicContact CZ-CD2 4.25Å; F495-L553 HydrophobicContact CZ-CG 3.86Å; F495-L554 HydrophobicContact CD1-CD2 4.19Å; F495-L554 HydrophobicContact CE1-CD2 3.94Å; F495-L559 HydrophobicContact CE2-CD2 4.01Å; F495-L559 HydrophobicContact CZ-CD2 3.67Å
496I96.2Very high96.2Very high0 Ų037.9 Ų37.90%021%0.21CC..Hα-helixtrans-64.8-43.6176.7-67.8-58.7000111.4F492 C494 D498 H499 V500 P503 V508 I510 L553 L554F492-I496 HydrophobicContact CD1-CG1 4.19Å; F492-I496 HydrophobicContact CD2-CG1 4.36Å; F492-I496 HydrophobicContact CE1-CG1 3.69Å; F492-I496 HydrophobicContact CE2-CD1 4.17Å; F492-I496 HydrophobicContact CE2-CG1 3.9Å; F492-I496 HydrophobicContact CG-CG1 4.5Å; F492-I496 HydrophobicContact CZ-CD1 4.05Å; F492-I496 HydrophobicContact CZ-CG1 3.54Å; F492-I496 WeakPolarHBondContact O-CG1 3.38Å; F492-I496 PolarHBondContact O-N 3.32Å; C494-I496 PolarHBondContact O-N 3.05Å; I496-D498 PolarHBondContact O-N 3.26Å; I496-H499 PolarHBondContact O-N 2.82Å; I496-V500 HydrophobicContact CD1-CG2 4.36Å; I496-V500 HydrophobicContact CG2-CB 4.11Å; I496-V500 HydrophobicContact CG2-CG2 4.01Å; I496-V500 WeakPolarHBondContact O-CB 3.49Å; I496-V500 PolarHBondContact O-N 3.25Å; I496-P503 HydrophobicContact CG2-CB 3.69Å; I496-P503 HydrophobicContact CG2-CG 3.87Å; I496-V508 HydrophobicContact CB-CG1 4.45Å; I496-V508 HydrophobicContact CG1-CG1 4.46Å; I496-V508 HydrophobicContact CG2-CB 4.19Å; I496-V508 HydrophobicContact CG2-CG1 3.93Å; I496-I510 HydrophobicContact CG2-CD1 4.46Å; I496-L553 HydrophobicContact CD1-CD2 3.98Å; I496-L554 HydrophobicContact CD1-CD2 4.45Å
497H95.1Very high96.2Very high122 Ų12237.8 Ų37.857%0.56521%0.209SC*.Hα-helixtrans-55.9-39.8177.1177.5-89.7000112.3G493 C494 I510G493-H497 VanDerWaalsContact O-CB 3.29Å; G493-H497 WeakPolarHBondContact O-CB 3.49Å; G493-H497 PolarHBondContact O-N 2.9Å; C494-H497 PolarHBondContact O-N 3.07Å; H497-I510 HydrophobicContact CB-CD1 3.8Å
498D93.7Very high96.2Very high91 Ų9137.8 Ų37.849%0.48721%0.209SC..Hα-helixtrans-78.2-24.5-177.3-66.9-9.8000113.5C494 F495 I496C494-D498 VanDerWaalsContact O-CG 3.26Å; C494-D498 PolarHBondContact O-N 3.3Å; F495-D498 PolarHBondContact O-N 3.18Å; I496-D498 PolarHBondContact O-N 3.26Å
499H94Very high96.3Very high88 Ų8836.6 Ų36.641%0.40720%0.202SC..Hα-helixtrans-112.3-13.3-172.4-64.380000114.2F495 I496 L553 Y562F495-H499 AromaticContact CD2-CE1 3.53Å; F495-H499 AromaticContact CD2-ND1 3.57Å; F495-H499 AromaticContact CE2-CE1 3.39Å; F495-H499 WeakPolarHBondContact CE2-CE1 3.41Å; F495-H499 AromaticContact CE2-ND1 3.56Å; F495-H499 AromaticContact CE2-NE2 3.82Å; F495-H499 PolarHBondContact O-N 2.91Å; F495-H499 PolarHBondContact O-ND1 3.35Å; I496-H499 PolarHBondContact O-N 2.82Å; H499-L553 HydrophobicContact CB-CD1 4.21Å; H499-L553 HydrophobicContact CB-CD2 3.85Å; H499-Y562 PolarHBondContact NE2-OH 3.2Å
500V94.3Very high96.4Very high13 Ų1337.7 Ų37.78%0.07921%0.208CC..  trans-122.5115.6-179.4-174.60000108.7I496 D502 P503 Y506 L550 L553I496-V500 HydrophobicContact CD1-CG2 4.36Å; I496-V500 HydrophobicContact CG2-CB 4.11Å; I496-V500 HydrophobicContact CG2-CG2 4.01Å; I496-V500 WeakPolarHBondContact O-CB 3.49Å; I496-V500 PolarHBondContact O-N 3.25Å; V500-D502 VanDerWaalsContact C-N 3.3Å; V500-D502 PolarHBondContact O-N 3.19Å; V500-P503 HydrophobicContact CB-CG 4.25Å; V500-P503 HydrophobicContact CG1-CG 4.44Å; V500-P503 VanDerWaalsContact O-CD 3.27Å; V500-P503 WeakPolarHBondContact O-CD 3.31Å; V500-P503 WeakPolarHBondContact O-CG 3.27Å; V500-Y506 HydrophobicContact CG1-CD2 3.91Å; V500-Y506 HydrophobicContact CG1-CE2 4.33Å; V500-Y506 HydrophobicContact CG1-CG 4.5Å; V500-L550 HydrophobicContact CG1-CD2 4.35Å; V500-L550 HydrophobicContact CG2-CD1 4.37Å; V500-L550 HydrophobicContact CG2-CD2 3.78Å; V500-L553 HydrophobicContact CG2-CD2 3.97Å
501A92.8Very high96.4Very high116 Ų11637.7 Ų37.796%0.95921%0.208SC*.SBendtrans-61.5-34.9-174.800000114
502D95.9Very high96.4Very high85 Ų8539.1 Ų39.146%0.45522%0.215SC..  trans-135.783174.7179.30.2000109.9V500 M504 S505 Y506V500-D502 VanDerWaalsContact C-N 3.3Å; V500-D502 PolarHBondContact O-N 3.19Å; D502-M504 PolarHBondContact O-N 3.01Å; D502-M504 PolarHBondContact OD1-N 2.9Å; D502-S505 PolarHBondContact O-N 2.82Å; D502-S505 PolarHBondContact O-OG 3.2Å; D502-S505 PolarHBondContact OD1-N 2.63Å; D502-S505 VanDerWaalsContact OD1-N 3.16Å; D502-S505 VanDerWaalsContact OD2-CB 3.26Å; D502-S505 WeakPolarHBondContact OD2-CB 3.08Å; D502-S505 PolarHBondContact OD2-OG 3.06Å; D502-Y506 WeakPolarHBondContact O-CD2 3.47Å
503P96.9Very high96.4Very high19 Ų1941.1 Ų41.112%0.12322%0.223CC..G310 helixtrans-56.3-35.4-179.1-27.937.9000113.3I496 V500 S505 Y506 G507 V508 I510I496-P503 HydrophobicContact CG2-CB 3.69Å; I496-P503 HydrophobicContact CG2-CG 3.87Å; V500-P503 HydrophobicContact CB-CG 4.25Å; V500-P503 HydrophobicContact CG1-CG 4.44Å; V500-P503 VanDerWaalsContact O-CD 3.27Å; V500-P503 WeakPolarHBondContact O-CD 3.31Å; V500-P503 WeakPolarHBondContact O-CG 3.27Å; P503-S505 VanDerWaalsContact C-N 3.33Å; P503-S505 PolarHBondContact O-N 2.89Å; P503-Y506 CarbonylContact O-C 3.56Å; P503-Y506 PolarHBondContact O-N 3.04Å; P503-Y506 VanDerWaalsContact O-N 3.08Å; P503-G507 PolarHBondContact O-N 3.2Å; P503-V508 CarbonylContact C-O 3.54Å; P503-V508 HydrophobicContact CB-CB 4.22Å; P503-V508 VanDerWaalsContact CB-O 3.28Å; P503-V508 WeakPolarHBondContact CB-O 3.46Å; P503-V508 PolarHBondContact O-N 3.47Å; P503-I510 HydrophobicContact CB-CD1 4.15Å; P503-I510 HydrophobicContact CG-CD1 4.05Å
504M96.4Very high96.2Very high75 Ų7544.1 Ų44.137%0.36923%0.234SC..G310 helixtrans-65.2-37.6-176.4-169.9177.8-177.800111.2D502 Y506 G507 V508 Y509 Y528D502-M504 PolarHBondContact O-N 3.01Å; D502-M504 PolarHBondContact OD1-N 2.9Å; M504-Y506 PolarHBondContact O-N 3.04Å; M504-G507 PolarHBondContact O-N 2.77Å; M504-V508 PolarHBondContact N-O 2.92Å; M504-Y509 HydrophobicContact CE-CD1 3.96Å; M504-Y509 HydrophobicContact CE-CE1 3.64Å; M504-Y509 HydrophobicContact CG-CD1 3.67Å; M504-Y509 HydrophobicContact CG-CE1 3.54Å; M504-Y509 HydrophobicContact SD-CD1 4.36Å; M504-Y509 HydrophobicContact SD-CE1 4.34Å; M504-Y528 HydrophobicContact CE-CD1 3.98Å; M504-Y528 HydrophobicContact CE-CE1 3.97Å; M504-Y528 HydrophobicContact SD-CE1 4.23Å
505S96Very high96.2Very high33 Ų3352 Ų5223%0.23126%0.262CS..G310 helixtrans-65.5-19.2175.5730000114.7D502 P503 R546D502-S505 PolarHBondContact O-N 2.82Å; D502-S505 PolarHBondContact O-OG 3.2Å; D502-S505 PolarHBondContact OD1-N 2.63Å; D502-S505 VanDerWaalsContact OD1-N 3.16Å; D502-S505 VanDerWaalsContact OD2-CB 3.26Å; D502-S505 WeakPolarHBondContact OD2-CB 3.08Å; D502-S505 PolarHBondContact OD2-OG 3.06Å; P503-S505 VanDerWaalsContact C-N 3.33Å; P503-S505 PolarHBondContact O-N 2.89Å; S505-R546 WeakPolarHBondContact O-CD 3.45Å; S505-R546 PolarHBondContact O-NH1 2.96Å
506Y96.9Very high96.1Very high81 Ų8155.2 Ų55.232%0.31828%0.276SS..G310 helixtrans-101.59.3174.2-71.5-96.6000112.5V500 D502 P503 M504 R546 T547 L550V500-Y506 HydrophobicContact CG1-CD2 3.91Å; V500-Y506 HydrophobicContact CG1-CE2 4.33Å; V500-Y506 HydrophobicContact CG1-CG 4.5Å; D502-Y506 WeakPolarHBondContact O-CD2 3.47Å; P503-Y506 CarbonylContact O-C 3.56Å; P503-Y506 PolarHBondContact O-N 3.04Å; P503-Y506 VanDerWaalsContact O-N 3.08Å; M504-Y506 PolarHBondContact O-N 3.04Å; Y506-R546 HydrophobicContact CD1-CB 4.05Å; Y506-R546 WeakPolarHBondContact CD1-O 3.35Å; Y506-T547 WeakPolarHBondContact O-CA 3.37Å; Y506-T547 VanDerWaalsContact O-CB 3.31Å; Y506-T547 WeakPolarHBondContact O-CB 3.43Å; Y506-T547 PolarHBondContact O-N 3.43Å; Y506-T547 PolarHBondContact O-OG1 3.38Å; Y506-L550 HydrophobicContact CD1-CD1 4.43Å; Y506-L550 HydrophobicContact CD1-CD2 3.83Å; Y506-L550 HydrophobicContact CD1-CG 3.93Å; Y506-L550 HydrophobicContact CE1-CD2 4.31Å; Y506-L550 HydrophobicContact CG-CD1 4.2Å; Y506-L550 HydrophobicContact CG-CD2 4.12Å; Y506-L550 HydrophobicContact CG-CG 4.19Å
507G97.7Very high96.1Very high0 Ų059.3 Ų59.30%030%0.298CS..THydrogen-bonded Turntrans77.719.2175.500000114.5P483 S484 P503 M504 M543P483-G507 CarbonylContact C-O 3.52Å; P483-G507 WeakPolarHBondContact CA-O 3.07Å; P483-G507 WeakPolarHBondContact CB-O 3.43Å; S484-G507 PolarHBondContact N-O 3.1Å; P503-G507 PolarHBondContact O-N 3.2Å; M504-G507 PolarHBondContact O-N 2.77Å; G507-M543 WeakPolarHBondContact CA-SD 3.48Å; G507-M543 PolarHBondContact N-SD 2.64Å
508V98.4Very high96Very high1 Ų157.1 Ų57.11%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-107.9107.8169.9-176.70000108.8S484 T486 F492 I496 P503 M504 I510 L550S484-V508 WeakPolarHBondContact O-CA 3.49Å; T486-V508 HydrophobicContact CG2-CG1 4.16Å; F492-V508 HydrophobicContact CE1-CG1 3.86Å; I496-V508 HydrophobicContact CB-CG1 4.45Å; I496-V508 HydrophobicContact CG1-CG1 4.46Å; I496-V508 HydrophobicContact CG2-CB 4.19Å; I496-V508 HydrophobicContact CG2-CG1 3.93Å; P503-V508 CarbonylContact C-O 3.54Å; P503-V508 HydrophobicContact CB-CB 4.22Å; P503-V508 VanDerWaalsContact CB-O 3.28Å; P503-V508 WeakPolarHBondContact CB-O 3.46Å; P503-V508 PolarHBondContact O-N 3.47Å; M504-V508 PolarHBondContact N-O 2.92Å; V508-I510 HydrophobicContact CG1-CG1 4.41Å; V508-L550 HydrophobicContact CG2-CD1 3.88Å
509Y98.6Very high96.2Very high7 Ų756.7 Ų56.73%0.02730%0.296CS..EExtended strand (participates in β ladder)trans-97.7125.2-178.1-56.8-97.2000109.2L460 P483 S484 V485 T486 M504 Y528 F532L460-Y509 HydrophobicContact CD1-CD2 4.34Å; L460-Y509 HydrophobicContact CD1-CE2 4.23Å; P483-Y509 HydrophobicContact CB-CE2 4.43Å; S484-Y509 PolarHBondContact O-N 3.39Å; V485-Y509 CarbonylContact C-O 3.58Å; V485-Y509 VanDerWaalsContact CA-O 3.32Å; V485-Y509 WeakPolarHBondContact CA-O 3.21Å; V485-Y509 HydrophobicContact CG2-CD2 4.37Å; V485-Y509 HydrophobicContact CG2-CG 4.47Å; T486-Y509 PolarHBondContact N-O 2.65Å; M504-Y509 HydrophobicContact CE-CD1 3.96Å; M504-Y509 HydrophobicContact CE-CE1 3.64Å; M504-Y509 HydrophobicContact CG-CD1 3.67Å; M504-Y509 HydrophobicContact CG-CE1 3.54Å; M504-Y509 HydrophobicContact SD-CD1 4.36Å; M504-Y509 HydrophobicContact SD-CE1 4.34Å; Y509-Y528 AromaticContact CD1-CD1 3.97Å; Y509-Y528 HydrophobicContact CD1-CD1 3.97Å; Y509-Y528 HydrophobicContact CD1-CD2 4.31Å; Y509-Y528 HydrophobicContact CD1-CE1 4.45Å; Y509-Y528 AromaticContact CD1-CG 3.89Å; Y509-Y528 HydrophobicContact CD1-CG 3.89Å; Y509-Y528 HydrophobicContact CG-CD2 4.47Å; Y509-Y528 HydrophobicContact CG-CG 4.4Å; Y509-F532 HydrophobicContact CE2-CD2 4.35Å
510I98.5Very high96.4Very high25 Ų2556.8 Ų56.813%0.12830%0.297CS..EExtended strand (participates in β ladder)trans-109.7105.2-176.5-54.8178000108.5T486 N488 G493 I496 H497 P503 V508T486-I510 HydrophobicContact CG2-CG1 3.96Å; N488-I510 HydrophobicContact CB-CG2 4.16Å; G493-I510 WeakPolarHBondContact O-CD1 3.35Å; I496-I510 HydrophobicContact CG2-CD1 4.46Å; H497-I510 HydrophobicContact CB-CD1 3.8Å; P503-I510 HydrophobicContact CB-CD1 4.15Å; P503-I510 HydrophobicContact CG-CD1 4.05Å; V508-I510 HydrophobicContact CG1-CG1 4.41Å
511V98.6Very high96.6Very high0 Ų056.3 Ų56.30%029%0.294CS..EExtended strand (participates in β ladder)trans-74.6131.9173.7175.90000108.9V485 T486 T487 N488 R513 L525 Y528V485-V511 HydrophobicContact CG1-CG2 3.53Å; T486-V511 PolarHBondContact O-N 3.11Å; T487-V511 VanDerWaalsContact CA-O 3.25Å; T487-V511 WeakPolarHBondContact CA-O 3.49Å; T487-V511 HydrophobicContact CG2-CB 4.4Å; N488-V511 PolarHBondContact N-O 2.84Å; N488-V511 PolarHBondContact OD1-O 3.44Å; V511-R513 HydrophobicContact CG1-CG 4.13Å; V511-R513 PolarHBondContact O-N 3.45Å; V511-L525 HydrophobicContact CG2-CB 4.02Å; V511-L525 HydrophobicContact CG2-CD1 4.18Å; V511-Y528 HydrophobicContact CG2-CD2 3.98Å; V511-Y528 HydrophobicContact CG2-CE2 4.11Å
512D98Very high96.9Very high32 Ų3251.2 Ų51.217%0.17125%0.251CS..  trans-81108.3174.2-171.9-13.8000109N488 R514 Y515 K516 S521N488-D512 PolarHBondContact ND2-OD1 3.14Å; D512-R514 PolarHBondContact OD1-N 2.86Å; D512-Y515 PolarHBondContact OD1-N 3.21Å; D512-K516 HydrophobicContact CB-CB 4.46Å; D512-K516 HydrophobicContact CB-CD 3.97Å; D512-K516 HydrophobicContact CB-CG 4.06Å; D512-S521 WeakPolarHBondContact O-CB 3.36Å; D512-S521 PolarHBondContact O-OG 3.32Å
513R95.9Very high97Very high41 Ų4150.4 Ų50.416%0.15525%0.246CC..  trans-108.6-3.2171.8-68-165.468.7167.7-0.8112.4P464 T487 N488 L489 V511P464-R513 WeakPolarHBondContact O-CD 3.34Å; P464-R513 PolarHBondContact O-NH1 3.32Å; T487-R513 HydrophobicContact CG2-CG 3.95Å; N488-R513 PolarHBondContact OD1-N 3.28Å; L489-R513 HydrophobicContact CD1-CB 3.63Å; L489-R513 HydrophobicContact CG-CB 4.07Å; V511-R513 HydrophobicContact CG1-CG 4.13Å; V511-R513 PolarHBondContact O-N 3.45Å
514R94.4Very high97.1Very high64 Ų6450.9 Ų50.924%0.24225%0.247CC..SBendtrans-93.2-41-174.9179.463.3-167.9104.8-14.2112.6Y175 N176 N488 L489 D512Y175-R514 PolarHBondContact O-NH2 2.93Å; N176-R514 PolarHBondContact OD1-NH1 3.26Å; N488-R514 PolarHBondContact OD1-N 3.26Å; L489-R514 HydrophobicContact CD2-CB 3.81Å; L489-R514 HydrophobicContact CD2-CG 4.2Å; L489-R514 HydrophobicContact CG-CB 4.29Å; D512-R514 PolarHBondContact OD1-N 2.86Å
515Y95.2Very high97.2Very high185 Ų18547.3 Ų47.373%0.72523%0.229SC*.SBendtrans-115.6-18.4-171.6-53.3-66000113.1D512D512-Y515 PolarHBondContact OD1-N 3.21Å
516K95.4Very high97.3Very high81 Ų8145.7 Ų45.735%0.35222%0.218SC..SBendtrans-90.9153172-71.8-172.7-179.5179.90111.9D512 E520D512-K516 HydrophobicContact CB-CB 4.46Å; D512-K516 HydrophobicContact CB-CD 3.97Å; D512-K516 HydrophobicContact CB-CG 4.06Å; K516-E520 HydrophobicContact CB-CB 3.94Å; K516-E520 HydrophobicContact CD-CB 4.02Å; K516-E520 HydrophobicContact CG-CB 4.29Å
517N95Very high97.4Very high87 Ų8745.6 Ų45.647%0.46522%0.22SC..  trans-74.4167.8171.272.857.4000111.3E519 E520 S521N517-E519 VanDerWaalsContact C-N 3.35Å; N517-E519 PolarHBondContact O-N 2.67Å; N517-E519 PolarHBondContact OD1-N 2.93Å; N517-E520 PolarHBondContact N-OE2 3.21Å; N517-E520 WeakPolarHBondContact ND2-CG 3.5Å; N517-E520 PolarHBondContact ND2-OE2 3.27Å; N517-E520 PolarHBondContact O-N 3.44Å; N517-E520 PolarHBondContact OD1-N 3.16Å; N517-S521 PolarHBondContact O-N 2.97Å; N517-S521 PolarHBondContact O-OG 2.77Å
518A93.6Very high97.5Very high75 Ų7547.6 Ų47.662%0.6223%0.228SC*.Hα-helixtrans-56.7-43.1-174.300000113.6S521 V522A518-S521 PolarHBondContact O-N 2.85Å; A518-V522 VanDerWaalsContact O-CG2 3.26Å; A518-V522 WeakPolarHBondContact O-CG2 3.46Å; A518-V522 PolarHBondContact O-N 2.8Å
519E97.6Very high97.5Very high83 Ų8347.6 Ų47.639%0.38823%0.228SC..Hα-helixtrans-69-41.1-179.3-179.258.3-158.200111.4R302 N517 S521 V522 L523R302-E519 IonicContact CZ-OE1 3.32Å; R302-E519 IonicContact CZ-OE2 2.86Å; R302-E519 IonicContact NE-OE1 3.16Å; R302-E519 PolarHBondContact NE-OE1 3.27Å; R302-E519 IonicContact NE-OE2 2.69Å; R302-E519 VanDerWaalsContact NH2-CD 3.34Å; R302-E519 IonicContact NH2-OE1 3.25Å; R302-E519 PolarHBondContact NH2-OE1 3.49Å; R302-E519 VanDerWaalsContact NH2-OE1 3.09Å; R302-E519 IonicContact NH2-OE2 3.09Å; R302-E519 PolarHBondContact NH2-OE2 2.93Å; N517-E519 VanDerWaalsContact C-N 3.35Å; N517-E519 PolarHBondContact O-N 2.67Å; N517-E519 PolarHBondContact OD1-N 2.93Å; E519-S521 VanDerWaalsContact C-N 3.32Å; E519-S521 PolarHBondContact O-N 3.45Å; E519-V522 WeakPolarHBondContact O-CB 3.43Å; E519-V522 PolarHBondContact O-N 3.06Å; E519-L523 HydrophobicContact CG-CD1 4.02Å; E519-L523 HydrophobicContact CG-CG 4.35Å; E519-L523 WeakPolarHBondContact O-CG 3.38Å; E519-L523 PolarHBondContact O-N 2.95Å; E519-L523 WeakPolarHBondContact OE1-CG 3.31Å
520E98.4Very high97.5Very high90 Ų9048.7 Ų48.742%0.42123%0.232SC..Hα-helixtrans-62.7-39.1176.4-68.2174.8139.400112.1K516 N517 L523 Q524K516-E520 HydrophobicContact CB-CB 3.94Å; K516-E520 HydrophobicContact CD-CB 4.02Å; K516-E520 HydrophobicContact CG-CB 4.29Å; N517-E520 PolarHBondContact N-OE2 3.21Å; N517-E520 WeakPolarHBondContact ND2-CG 3.5Å; N517-E520 PolarHBondContact ND2-OE2 3.27Å; N517-E520 PolarHBondContact O-N 3.44Å; N517-E520 PolarHBondContact OD1-N 3.16Å; E520-L523 PolarHBondContact O-N 2.85Å; E520-Q524 WeakPolarHBondContact O-CB 3.41Å; E520-Q524 PolarHBondContact O-N 3.24Å
521S98.4Very high97.5Very high3 Ų350.2 Ų50.22%0.02124%0.241CC..Hα-helixtrans-64.1-41.1173.5-57.40000111.9D512 N517 A518 E519 Q524 L525D512-S521 WeakPolarHBondContact O-CB 3.36Å; D512-S521 PolarHBondContact O-OG 3.32Å; N517-S521 PolarHBondContact O-N 2.97Å; N517-S521 PolarHBondContact O-OG 2.77Å; A518-S521 PolarHBondContact O-N 2.85Å; E519-S521 VanDerWaalsContact C-N 3.32Å; E519-S521 PolarHBondContact O-N 3.45Å; S521-Q524 PolarHBondContact O-N 3Å; S521-L525 WeakPolarHBondContact O-CB 3.37Å; S521-L525 PolarHBondContact O-N 3.29Å
522V98.7Very high97.5Very high8 Ų850.4 Ų50.45%0.04824%0.242CC..Hα-helixtrans-63.3-48176169.20000110.8L295 E298 A299 R302 A518 E519 Q524 L525 A526L295-V522 HydrophobicContact CD1-CG2 3.55Å; L295-V522 HydrophobicContact CG-CG2 3.8Å; E298-V522 HydrophobicContact CB-CG1 4.19Å; E298-V522 HydrophobicContact CB-CG2 4.25Å; E298-V522 HydrophobicContact CG-CG1 3.85Å; E298-V522 HydrophobicContact CG-CG2 4.09Å; A299-V522 HydrophobicContact CB-CG1 4.26Å; R302-V522 VanDerWaalsContact CD-CG1 3.41Å; R302-V522 VanDerWaalsContact NE-CG1 3.32Å; A518-V522 VanDerWaalsContact O-CG2 3.26Å; A518-V522 WeakPolarHBondContact O-CG2 3.46Å; A518-V522 PolarHBondContact O-N 2.8Å; E519-V522 WeakPolarHBondContact O-CB 3.43Å; E519-V522 PolarHBondContact O-N 3.06Å; V522-Q524 VanDerWaalsContact C-N 3.32Å; V522-Q524 PolarHBondContact O-N 3.31Å; V522-L525 PolarHBondContact O-N 2.99Å; V522-A526 WeakPolarHBondContact O-CB 3.27Å; V522-A526 PolarHBondContact O-N 2.93Å
523L98.7Very high97.5Very high68 Ų6848.9 Ų48.936%0.35623%0.234SC..Hα-helixtrans-62.4-40.8178.9-71.2170.1000111.2E519 E520 A526 Q527E519-L523 HydrophobicContact CG-CD1 4.02Å; E519-L523 HydrophobicContact CG-CG 4.35Å; E519-L523 WeakPolarHBondContact O-CG 3.38Å; E519-L523 PolarHBondContact O-N 2.95Å; E519-L523 WeakPolarHBondContact OE1-CG 3.31Å; E520-L523 PolarHBondContact O-N 2.85Å; L523-A526 PolarHBondContact O-N 3.25Å; L523-Q527 WeakPolarHBondContact O-CB 3.09Å; L523-Q527 PolarHBondContact O-N 3.44Å
524Q98.7Very high97.6Very high29 Ų2947.3 Ų47.314%0.13623%0.229CC..Hα-helixtrans-61.3-46.1174.6-176.917824.300111.8E520 S521 V522 Q527 Y528E520-Q524 WeakPolarHBondContact O-CB 3.41Å; E520-Q524 PolarHBondContact O-N 3.24Å; S521-Q524 PolarHBondContact O-N 3Å; V522-Q524 VanDerWaalsContact C-N 3.32Å; V522-Q524 PolarHBondContact O-N 3.31Å; Q524-Q527 PolarHBondContact O-N 3.39Å; Q524-Y528 HydrophobicContact CG-CD2 4.15Å; Q524-Y528 HydrophobicContact CG-CE1 4.46Å; Q524-Y528 HydrophobicContact CG-CE2 3.62Å; Q524-Y528 PolarHBondContact NE2-OH 2.99Å; Q524-Y528 PolarHBondContact O-N 3.43Å
525L98.8Very high97.8Very high0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-62.1-45.6176.9174.758.4000111.6L295 A299 V462 P464 V485 V511 S521 V522 Q527 Y528 M529L295-L525 HydrophobicContact CD2-CB 4.36Å; L295-L525 HydrophobicContact CD2-CD2 3.69Å; L295-L525 HydrophobicContact CG-CD2 4.43Å; A299-L525 HydrophobicContact CB-CB 3.98Å; A299-L525 HydrophobicContact CB-CD2 3.57Å; A299-L525 HydrophobicContact CB-CG 3.61Å; V462-L525 HydrophobicContact CG1-CD1 3.75Å; V462-L525 HydrophobicContact CG1-CD2 4.25Å; P464-L525 HydrophobicContact CB-CD2 3.94Å; P464-L525 HydrophobicContact CG-CD2 3.88Å; V485-L525 HydrophobicContact CB-CD1 4.25Å; V485-L525 HydrophobicContact CG1-CD1 3.69Å; V485-L525 HydrophobicContact CG2-CD1 4.23Å; V511-L525 HydrophobicContact CG2-CB 4.02Å; V511-L525 HydrophobicContact CG2-CD1 4.18Å; S521-L525 WeakPolarHBondContact O-CB 3.37Å; S521-L525 PolarHBondContact O-N 3.29Å; V522-L525 PolarHBondContact O-N 2.99Å; L525-Q527 VanDerWaalsContact C-N 3.3Å; L525-Q527 PolarHBondContact O-N 3.47Å; L525-Y528 PolarHBondContact O-N 3.1Å; L525-M529 HydrophobicContact CD1-CG 4.31Å; L525-M529 HydrophobicContact CD1-SD 4.5Å; L525-M529 HydrophobicContact CG-CE 4.09Å; L525-M529 WeakPolarHBondContact O-CG 3.49Å; L525-M529 PolarHBondContact O-N 3.4Å
526A98.8Very high97.9Very high0 Ų039.8 Ų39.80%021%0.21CC..Hα-helixtrans-60.6-40.9177.400000111.7A299 R302 Y306 V522 L523 M529 Y530A299-A526 HydrophobicContact CB-CB 4.21Å; R302-A526 HydrophobicContact CB-CB 3.7Å; Y306-A526 HydrophobicContact CE2-CB 3.88Å; V522-A526 WeakPolarHBondContact O-CB 3.27Å; V522-A526 PolarHBondContact O-N 2.93Å; L523-A526 PolarHBondContact O-N 3.25Å; A526-M529 PolarHBondContact O-N 3.31Å; A526-Y530 WeakPolarHBondContact O-CB 3.32Å; A526-Y530 PolarHBondContact O-N 3.43Å
527Q98.7Very high97.8Very high78 Ų7843.7 Ų43.736%0.36422%0.223SC..Hα-helixtrans-65.4-46.1177-170.46248.300111.9L523 Q524 L525 M529 Y530 D531L523-Q527 WeakPolarHBondContact O-CB 3.09Å; L523-Q527 PolarHBondContact O-N 3.44Å; Q524-Q527 PolarHBondContact O-N 3.39Å; L525-Q527 VanDerWaalsContact C-N 3.3Å; L525-Q527 PolarHBondContact O-N 3.47Å; Q527-M529 VanDerWaalsContact C-N 3.3Å; Q527-M529 PolarHBondContact O-N 3.37Å; Q527-Y530 PolarHBondContact O-N 3.26Å; Q527-Y530 VanDerWaalsContact O-N 3.13Å; Q527-D531 PolarHBondContact NE2-OD1 3.21Å; Q527-D531 WeakPolarHBondContact O-CB 3.37Å; Q527-D531 VanDerWaalsContact O-CG 3.25Å; Q527-D531 PolarHBondContact O-N 2.97Å
528Y98.7Very high97.9Very high43 Ų4349.2 Ų49.217%0.16924%0.237CC..Hα-helixtrans-58.7-42.4175.8-70.8-25.4000112.6M504 Y509 V511 Q524 L525 F532M504-Y528 HydrophobicContact CE-CD1 3.98Å; M504-Y528 HydrophobicContact CE-CE1 3.97Å; M504-Y528 HydrophobicContact SD-CE1 4.23Å; Y509-Y528 AromaticContact CD1-CD1 3.97Å; Y509-Y528 HydrophobicContact CD1-CD1 3.97Å; Y509-Y528 HydrophobicContact CD1-CD2 4.31Å; Y509-Y528 HydrophobicContact CD1-CE1 4.45Å; Y509-Y528 AromaticContact CD1-CG 3.89Å; Y509-Y528 HydrophobicContact CD1-CG 3.89Å; Y509-Y528 HydrophobicContact CG-CD2 4.47Å; Y509-Y528 HydrophobicContact CG-CG 4.4Å; V511-Y528 HydrophobicContact CG2-CD2 3.98Å; V511-Y528 HydrophobicContact CG2-CE2 4.11Å; Q524-Y528 HydrophobicContact CG-CD2 4.15Å; Q524-Y528 HydrophobicContact CG-CE1 4.46Å; Q524-Y528 HydrophobicContact CG-CE2 3.62Å; Q524-Y528 PolarHBondContact NE2-OH 2.99Å; Q524-Y528 PolarHBondContact O-N 3.43Å; L525-Y528 PolarHBondContact O-N 3.1Å; Y528-F532 WeakPolarHBondContact O-CB 3.41Å; Y528-F532 PolarHBondContact O-N 2.96Å
529M98.8Very high98Very high0 Ų050.3 Ų50.30%023%0.229CC..Hα-helixtrans-64-40.9175.3-74.6-168.3-60.500112.4F280 F296 A299 L300 L303 L460 V462 L525 A526 Q527 F532 C533F280-M529 HydrophobicContact CD2-CG 4.23Å; F280-M529 HydrophobicContact CD2-SD 3.91Å; F280-M529 HydrophobicContact CE2-CB 3.87Å; F280-M529 HydrophobicContact CE2-CG 3.91Å; F280-M529 HydrophobicContact CE2-SD 4.11Å; F296-M529 HydrophobicContact CD2-SD 4.33Å; F296-M529 HydrophobicContact CE2-SD 3.85Å; A299-M529 HydrophobicContact CB-CE 3.57Å; L300-M529 HydrophobicContact CD2-CE 4.34Å; L300-M529 HydrophobicContact CD2-SD 4.13Å; L303-M529 HydrophobicContact CB-CE 4.28Å; L303-M529 HydrophobicContact CD1-CB 4.13Å; L303-M529 HydrophobicContact CD2-CB 3.88Å; L303-M529 HydrophobicContact CD2-CE 4.18Å; L303-M529 HydrophobicContact CD2-SD 4.16Å; L460-M529 HydrophobicContact CD2-CG 4.17Å; V462-M529 HydrophobicContact CG2-SD 4.38Å; L525-M529 HydrophobicContact CD1-CG 4.31Å; L525-M529 HydrophobicContact CD1-SD 4.5Å; L525-M529 HydrophobicContact CG-CE 4.09Å; L525-M529 WeakPolarHBondContact O-CG 3.49Å; L525-M529 PolarHBondContact O-N 3.4Å; A526-M529 PolarHBondContact O-N 3.31Å; Q527-M529 VanDerWaalsContact C-N 3.3Å; Q527-M529 PolarHBondContact O-N 3.37Å; M529-F532 PolarHBondContact O-N 2.98Å; M529-C533 PolarHBondContact O-N 3.44Å; M529-C533 PolarHBondContact O-SG 2.85Å
530Y98.8Very high97.9Very high30 Ų3048.2 Ų48.212%0.11822%0.218CC..Hα-helixtrans-66.8-46.7177.6175.4-95.5000112L303 Y306 L307 S310 A315 A526 Q527 F532 C533 C534L303-Y530 HydrophobicContact CD1-CD2 4.46Å; Y306-Y530 HydrophobicContact CD2-CD2 4.42Å; Y306-Y530 HydrophobicContact CD2-CG 4.29Å; Y306-Y530 HydrophobicContact CG-CD2 4.48Å; L307-Y530 HydrophobicContact CD2-CD2 4.1Å; L307-Y530 HydrophobicContact CD2-CE2 4.27Å; S310-Y530 WeakPolarHBondContact CB-OH 3.26Å; S310-Y530 PolarHBondContact OG-OH 2.7Å; A315-Y530 HydrophobicContact CB-CE2 4.09Å; A526-Y530 WeakPolarHBondContact O-CB 3.32Å; A526-Y530 PolarHBondContact O-N 3.43Å; Q527-Y530 PolarHBondContact O-N 3.26Å; Q527-Y530 VanDerWaalsContact O-N 3.13Å; Y530-F532 PolarHBondContact O-N 2.79Å; Y530-C533 WeakPolarHBondContact O-CA 3.28Å; Y530-C533 VanDerWaalsContact O-CB 3.27Å; Y530-C533 WeakPolarHBondContact O-CB 3.32Å; Y530-C533 PolarHBondContact O-N 2.88Å; Y530-C534 PolarHBondContact O-N 2.6Å; Y530-C534 PolarHBondContact O-SG 2.74Å
531D98.4Very high97.7Very high58 Ų5846.7 Ų46.731%0.3121%0.212SC..Hα-helixtrans-59.8-39.4177.2-68-20.2000111.1Q527 C533 C534 L535Q527-D531 PolarHBondContact NE2-OD1 3.21Å; Q527-D531 WeakPolarHBondContact O-CB 3.37Å; Q527-D531 VanDerWaalsContact O-CG 3.25Å; Q527-D531 PolarHBondContact O-N 2.97Å; D531-C533 VanDerWaalsContact C-N 3.34Å; D531-C533 PolarHBondContact O-N 3.1Å; D531-C534 PolarHBondContact O-N 3.1Å; D531-L535 PolarHBondContact O-N 2.8Å
532F98.4Very high97.6Very high3 Ų349.4 Ų49.41%0.01323%0.228CC..Hα-helixtrans-62.4-40.2173.4-170.4-87.2000112.2M278 F280 H459 L460 P483 Y509 Y528 M529 Y530 C534 L535 R540M278-F532 HydrophobicContact SD-CD1 4.02Å; M278-F532 HydrophobicContact SD-CE1 4.03Å; F280-F532 AromaticContact CE1-CD1 3.8Å; F280-F532 HydrophobicContact CE1-CD1 3.8Å; F280-F532 HydrophobicContact CE1-CE1 4.03Å; F280-F532 AromaticContact CZ-CD1 3.88Å; F280-F532 HydrophobicContact CZ-CD1 3.88Å; H459-F532 HydrophobicContact CB-CE1 4.03Å; H459-F532 HydrophobicContact CB-CZ 4.42Å; H459-F532 WeakPolarHBondContact O-CZ 3.43Å; L460-F532 HydrophobicContact CB-CD1 4.48Å; L460-F532 HydrophobicContact CB-CE1 4.25Å; L460-F532 HydrophobicContact CB-CZ 4.42Å; L460-F532 HydrophobicContact CD1-CD2 4.18Å; L460-F532 HydrophobicContact CD1-CE2 4.22Å; L460-F532 HydrophobicContact CD2-CG 4.36Å; P483-F532 HydrophobicContact CB-CE2 3.92Å; P483-F532 HydrophobicContact CG-CE2 3.99Å; P483-F532 HydrophobicContact CG-CZ 4.42Å; Y509-F532 HydrophobicContact CE2-CD2 4.35Å; Y528-F532 WeakPolarHBondContact O-CB 3.41Å; Y528-F532 PolarHBondContact O-N 2.96Å; M529-F532 PolarHBondContact O-N 2.98Å; Y530-F532 PolarHBondContact O-N 2.79Å; F532-C534 PolarHBondContact O-N 3.21Å; F532-L535 HydrophobicContact CD2-CD1 3.96Å; F532-L535 HydrophobicContact CE2-CD1 4.3Å; F532-L535 HydrophobicContact CG-CD1 4.45Å; F532-L535 WeakPolarHBondContact O-CB 3.34Å; F532-L535 PolarHBondContact O-N 3.03Å; F532-R540 HydrophobicContact CE1-CG 4.43Å; F532-R540 HydrophobicContact CZ-CG 4.19Å
533C98.4Very high97.4Very high1 Ų150.1 Ų50.11%0.00723%0.231CC..Hα-helixtrans-62.5-31.5174.7-690000112.6M278 L307 V318 V320 M529 Y530 D531 L535M278-C533 HydrophobicContact CE-CB 4.4Å; M278-C533 VanDerWaalsContact CE-O 3.26Å; M278-C533 WeakPolarHBondContact CE-O 3.34Å; L307-C533 HydrophobicContact CD2-CB 4.13Å; V318-C533 HydrophobicContact CG1-CB 4.04Å; V320-C533 VanDerWaalsContact CG2-SG 3.52Å; M529-C533 PolarHBondContact O-N 3.44Å; M529-C533 PolarHBondContact O-SG 2.85Å; Y530-C533 WeakPolarHBondContact O-CA 3.28Å; Y530-C533 VanDerWaalsContact O-CB 3.27Å; Y530-C533 WeakPolarHBondContact O-CB 3.32Å; Y530-C533 PolarHBondContact O-N 2.88Å; D531-C533 VanDerWaalsContact C-N 3.34Å; D531-C533 PolarHBondContact O-N 3.1Å; C533-L535 VanDerWaalsContact C-N 3.3Å; C533-L535 PolarHBondContact O-N 2.98Å
534C98.1Very high97.2Very high8 Ų847.5 Ų47.55%0.05422%0.217CC..THydrogen-bonded Turntrans-79.2-6.3178-690000114.3R314 Y530 D531 F532R314-C534 HydrophobicContact CB-CB 4.23Å; Y530-C534 PolarHBondContact O-N 2.6Å; Y530-C534 PolarHBondContact O-SG 2.74Å; D531-C534 PolarHBondContact O-N 3.1Å; F532-C534 PolarHBondContact O-N 3.21Å
535L97.7Very high96.9Very high37 Ų3748 Ų4819%0.19422%0.22CC..SBendtrans-68.8144.6174.4-62.7179.1000110.7D531 F532 C533 Q539 R540 M543D531-L535 PolarHBondContact O-N 2.8Å; F532-L535 HydrophobicContact CD2-CD1 3.96Å; F532-L535 HydrophobicContact CE2-CD1 4.3Å; F532-L535 HydrophobicContact CG-CD1 4.45Å; F532-L535 WeakPolarHBondContact O-CB 3.34Å; F532-L535 PolarHBondContact O-N 3.03Å; C533-L535 VanDerWaalsContact C-N 3.3Å; C533-L535 PolarHBondContact O-N 2.98Å; L535-Q539 HydrophobicContact CB-CB 4.16Å; L535-Q539 HydrophobicContact CD2-CB 4.26Å; L535-R540 HydrophobicContact CB-CG 3.82Å; L535-R540 HydrophobicContact CD1-CG 4.21Å; L535-R540 PolarHBondContact O-NH1 3.07Å; L535-M543 HydrophobicContact CD1-CE 4.29Å
536S96.6Very high96.7Very high54 Ų5452.9 Ų52.938%0.37824%0.239SC..  trans-71.2160.9166.964.90000111.5R538 Q539 R540S536-R538 PolarHBondContact O-N 3.04Å; S536-Q539 PolarHBondContact O-N 3.11Å; S536-Q539 VanDerWaalsContact O-N 3.09Å; S536-Q539 WeakPolarHBondContact OG-CB 3.31Å; S536-Q539 VanDerWaalsContact OG-CG 3.32Å; S536-Q539 WeakPolarHBondContact OG-CG 3.41Å; S536-Q539 PolarHBondContact OG-N 3.14Å; S536-Q539 PolarHBondContact OG-OE1 3.03Å; S536-R540 PolarHBondContact O-N 2.91Å
537R94.9Very high96.5Very high163 Ų16352.9 Ų52.962%0.61524%0.239SC*.Hα-helixtrans-53.6-42.5173-177.8175.6178.1161.4-1.4111.8E275 R540 I541E275-R537 IonicContact OE2-NH1 3.29Å; E275-R537 PolarHBondContact OE2-NH1 2.85Å; E275-R537 VanDerWaalsContact OE2-NH1 3.16Å; R537-R540 PolarHBondContact O-N 2.99Å; R537-I541 HydrophobicContact CG-CD1 4.05Å; R537-I541 VanDerWaalsContact O-CG1 3.31Å; R537-I541 WeakPolarHBondContact O-CG1 3.4Å; R537-I541 PolarHBondContact O-N 3.49Å
538R95.5Very high96.2Very high203 Ų20351.2 Ų51.277%0.76623%0.231SC*.Hα-helixtrans-61.5-45.2176.6-175.6178.1177.7179.40.1111.7S536 I541 V542S536-R538 PolarHBondContact O-N 3.04Å; R538-I541 PolarHBondContact O-N 3.41Å; R538-V542 WeakPolarHBondContact O-CG2 3.34Å; R538-V542 PolarHBondContact O-N 2.76Å
539Q97.1Very high95.9Very high97 Ų9756.6 Ų56.645%0.45325%0.251SS..Hα-helixtrans-64.1-40.6177.5-75.7163.5-4900112.1L535 S536 V542 M543L535-Q539 HydrophobicContact CB-CB 4.16Å; L535-Q539 HydrophobicContact CD2-CB 4.26Å; S536-Q539 PolarHBondContact O-N 3.11Å; S536-Q539 VanDerWaalsContact O-N 3.09Å; S536-Q539 WeakPolarHBondContact OG-CB 3.31Å; S536-Q539 VanDerWaalsContact OG-CG 3.32Å; S536-Q539 WeakPolarHBondContact OG-CG 3.41Å; S536-Q539 PolarHBondContact OG-N 3.14Å; S536-Q539 PolarHBondContact OG-OE1 3.03Å; Q539-V542 PolarHBondContact O-N 3.4Å; Q539-M543 WeakPolarHBondContact O-CB 3.41Å; Q539-M543 PolarHBondContact O-N 3.34Å
540R96.1Very high95.6Very high39 Ų3957.3 Ų57.315%0.14725%0.254CS..Hα-helixtrans-63.5-40174.9-70.1-165.3-64-844112.8F532 L535 S536 R537 M543 R544F532-R540 HydrophobicContact CE1-CG 4.43Å; F532-R540 HydrophobicContact CZ-CG 4.19Å; L535-R540 HydrophobicContact CB-CG 3.82Å; L535-R540 HydrophobicContact CD1-CG 4.21Å; L535-R540 PolarHBondContact O-NH1 3.07Å; S536-R540 PolarHBondContact O-N 2.91Å; R537-R540 PolarHBondContact O-N 2.99Å; R540-M543 WeakPolarHBondContact O-CB 3.49Å; R540-M543 PolarHBondContact O-N 3.18Å; R540-R544 WeakPolarHBondContact O-CB 3.48Å; R540-R544 PolarHBondContact O-N 3.09Å
541I94.3Very high95.2Very high59 Ų5955.9 Ų55.930%0.30325%0.249SC..Hα-helixtrans-62.1-44.9174.7-70.8166.6000110.7Q248 R537 R538 R544 N545Q248-I541 HydrophobicContact CG-CG2 4.49Å; R537-I541 HydrophobicContact CG-CD1 4.05Å; R537-I541 VanDerWaalsContact O-CG1 3.31Å; R537-I541 WeakPolarHBondContact O-CG1 3.4Å; R537-I541 PolarHBondContact O-N 3.49Å; R538-I541 PolarHBondContact O-N 3.41Å; I541-R544 PolarHBondContact O-N 3.01Å; I541-N545 PolarHBondContact O-N 3.4Å; I541-N545 VanDerWaalsContact O-N 3.13Å
542V94.9Very high94.8Very high60 Ų6057.6 Ų57.636%0.36426%0.255SS..Hα-helixtrans-63.1-43.3176171.60000111.1R538 Q539 R544 N545 R546R538-V542 WeakPolarHBondContact O-CG2 3.34Å; R538-V542 PolarHBondContact O-N 2.76Å; Q539-V542 PolarHBondContact O-N 3.4Å; V542-R544 PolarHBondContact O-N 3.4Å; V542-N545 PolarHBondContact O-N 3.01Å; V542-R546 WeakPolarHBondContact O-CG 3.39Å; V542-R546 PolarHBondContact O-N 3.49Å
543M95.6Very high94.5Very high23 Ų2359.7 Ų59.711%0.11327%0.266CS..Hα-helixtrans-57.5-49.9177-170.369.880.700110.8P483 G507 L535 Q539 R540 N545 R546 T547P483-M543 HydrophobicContact CB-CG 4.42Å; P483-M543 HydrophobicContact CG-CB 4.46Å; P483-M543 HydrophobicContact CG-CG 3.76Å; G507-M543 WeakPolarHBondContact CA-SD 3.48Å; G507-M543 PolarHBondContact N-SD 2.64Å; L535-M543 HydrophobicContact CD1-CE 4.29Å; Q539-M543 WeakPolarHBondContact O-CB 3.41Å; Q539-M543 PolarHBondContact O-N 3.34Å; R540-M543 WeakPolarHBondContact O-CB 3.49Å; R540-M543 PolarHBondContact O-N 3.18Å; M543-N545 VanDerWaalsContact C-N 3.32Å; M543-N545 PolarHBondContact O-N 3.49Å; M543-R546 CarbonylContact O-C 3.55Å; M543-R546 WeakPolarHBondContact O-CA 3.47Å; M543-R546 WeakPolarHBondContact O-CB 2.78Å; M543-R546 PolarHBondContact O-N 2.88Å; M543-T547 PolarHBondContact O-N 3.48Å; M543-T547 PolarHBondContact O-OG1 3.35Å; M543-T547 VanDerWaalsContact O-OG1 3.06Å
544R94.2Very high94.2Very high13 Ų1359.8 Ų59.85%0.04927%0.267CS..Hα-helixtrans-53.9-44.9176.6165.1174.9-58.6150.52.6112.9F247 Q248 H251 G481 R540 I541 V542 R546 T547 E548F247-R544 HydrophobicContact CD1-CG 3.81Å; F247-R544 HydrophobicContact CE1-CB 4.43Å; F247-R544 HydrophobicContact CE1-CG 2.99Å; F247-R544 HydrophobicContact CZ-CG 3.55Å; Q248-R544 VanDerWaalsContact NE2-CD 3.25Å; H251-R544 VanDerWaalsContact CB-NH1 3.35Å; H251-R544 PolarHBondContact CD2-NH1 3.45Å; H251-R544 PolarHBondContact CD2-NH2 2.85Å; H251-R544 PolarHBondContact CE1-NH2 2.77Å; H251-R544 PolarHBondContact ND1-NH2 2.77Å; H251-R544 PolarHBondContact NE2-NH2 3.01Å; H251-R544 VanDerWaalsContact NE2-NH2 3.14Å; G481-R544 VanDerWaalsContact O-CA 3.27Å; G481-R544 WeakPolarHBondContact O-CA 3.3Å; G481-R544 WeakPolarHBondContact O-CB 3.39Å; G481-R544 VanDerWaalsContact O-CG 3.23Å; G481-R544 WeakPolarHBondContact O-CG 3.43Å; R540-R544 WeakPolarHBondContact O-CB 3.48Å; R540-R544 PolarHBondContact O-N 3.09Å; I541-R544 PolarHBondContact O-N 3.01Å; V542-R544 PolarHBondContact O-N 3.4Å; R544-R546 VanDerWaalsContact C-N 3.29Å; R544-R546 PolarHBondContact O-N 3.19Å; R544-T547 PolarHBondContact O-N 3.44Å; R544-E548 PolarHBondContact O-N 3.04Å; R544-E548 VanDerWaalsContact O-N 3.1Å
545N92.6Very high94Very high38 Ų3860.3 Ų60.320%0.20327%0.269CS..Hα-helixtrans-68.1-27.5176.4-67.5-11.6000112.9Q248 I541 V542 M543 R549Q248-N545 PolarHBondContact NE2-OD1 2.87Å; I541-N545 PolarHBondContact O-N 3.4Å; I541-N545 VanDerWaalsContact O-N 3.13Å; V542-N545 PolarHBondContact O-N 3.01Å; M543-N545 VanDerWaalsContact C-N 3.32Å; M543-N545 PolarHBondContact O-N 3.49Å; N545-R549 WeakPolarHBondContact O-CG 3.27Å
546R94.3Very high93.7Very high104 Ų10458.9 Ų58.939%0.39226%0.261SS..Hα-helixtrans-76.1-44.2173.3-69177-178.6-179.4-3.1110.9S505 Y506 V542 M543 R544 E548 R549S505-R546 WeakPolarHBondContact O-CD 3.45Å; S505-R546 PolarHBondContact O-NH1 2.96Å; Y506-R546 HydrophobicContact CD1-CB 4.05Å; Y506-R546 WeakPolarHBondContact CD1-O 3.35Å; V542-R546 WeakPolarHBondContact O-CG 3.39Å; V542-R546 PolarHBondContact O-N 3.49Å; M543-R546 CarbonylContact O-C 3.55Å; M543-R546 WeakPolarHBondContact O-CA 3.47Å; M543-R546 WeakPolarHBondContact O-CB 2.78Å; M543-R546 PolarHBondContact O-N 2.88Å; R544-R546 VanDerWaalsContact C-N 3.29Å; R544-R546 PolarHBondContact O-N 3.19Å; R546-E548 VanDerWaalsContact C-N 3.29Å; R546-E548 PolarHBondContact O-N 2.82Å; R546-R549 WeakPolarHBondContact O-CB 3.49Å; R546-R549 PolarHBondContact O-N 2.95Å
547T95.2Very high93.3Very high0 Ų064.7 Ų64.70%027%0.274CS..Hα-helixtrans-54.4-46.7177.1-56.40000111.3T478 Y506 M543 R544 R549 L550T478-T547 HydrophobicContact CG2-CG2 4.44Å; T478-T547 WeakPolarHBondContact CG2-O 3.28Å; Y506-T547 WeakPolarHBondContact O-CA 3.37Å; Y506-T547 VanDerWaalsContact O-CB 3.31Å; Y506-T547 WeakPolarHBondContact O-CB 3.43Å; Y506-T547 PolarHBondContact O-N 3.43Å; Y506-T547 PolarHBondContact O-OG1 3.38Å; M543-T547 PolarHBondContact O-N 3.48Å; M543-T547 PolarHBondContact O-OG1 3.35Å; M543-T547 VanDerWaalsContact O-OG1 3.06Å; R544-T547 PolarHBondContact O-N 3.44Å; T547-R549 PolarHBondContact O-N 3.12Å; T547-L550 WeakPolarHBondContact O-CB 3.49Å; T547-L550 PolarHBondContact O-N 2.97Å; T547-L550 VanDerWaalsContact O-N 3.07Å
548E91.9Very high93.1Very high42 Ų4261 Ų6120%0.19627%0.267CS..Hα-helixtrans-59.6-32.3178.4-171.4-77140.200113F247 R544 R546 L550 S551F247-E548 HydrophobicContact CE1-CB 4.49Å; R544-E548 PolarHBondContact O-N 3.04Å; R544-E548 VanDerWaalsContact O-N 3.1Å; R546-E548 VanDerWaalsContact C-N 3.29Å; R546-E548 PolarHBondContact O-N 2.82Å; E548-L550 PolarHBondContact O-N 3.05Å; E548-L550 VanDerWaalsContact O-N 3.08Å; E548-S551 WeakPolarHBondContact O-CB 3.45Å; E548-S551 PolarHBondContact O-N 3.42Å; E548-S551 PolarHBondContact O-OG 3.28Å; E548-S551 PolarHBondContact OE1-OG 3.34Å; E548-S551 VanDerWaalsContact OE1-OG 3.09Å
549R91.6Very high93Very high157 Ų15751.4 Ų51.459%0.59223%0.231SC*.Hα-helixtrans-62.3-21177.9-64.9170.3-172.8-173.2-4.6113.6N545 R546 T547 S551N545-R549 WeakPolarHBondContact O-CG 3.27Å; R546-R549 WeakPolarHBondContact O-CB 3.49Å; R546-R549 PolarHBondContact O-N 2.95Å; T547-R549 PolarHBondContact O-N 3.12Å; R549-S551 PolarHBondContact O-N 3.33Å
550L93Very high92.8Very high14 Ų1447 Ų477%0.07321%0.211CC..THydrogen-bonded Turntrans-77.2-7.3173.7-60.5-176.6000112.5T478 V500 Y506 V508 T547 E548 E552 L553T478-L550 HydrophobicContact CG2-CB 3.6Å; V500-L550 HydrophobicContact CG1-CD2 4.35Å; V500-L550 HydrophobicContact CG2-CD1 4.37Å; V500-L550 HydrophobicContact CG2-CD2 3.78Å; Y506-L550 HydrophobicContact CD1-CD1 4.43Å; Y506-L550 HydrophobicContact CD1-CD2 3.83Å; Y506-L550 HydrophobicContact CD1-CG 3.93Å; Y506-L550 HydrophobicContact CE1-CD2 4.31Å; Y506-L550 HydrophobicContact CG-CD1 4.2Å; Y506-L550 HydrophobicContact CG-CD2 4.12Å; Y506-L550 HydrophobicContact CG-CG 4.19Å; V508-L550 HydrophobicContact CG2-CD1 3.88Å; T547-L550 WeakPolarHBondContact O-CB 3.49Å; T547-L550 PolarHBondContact O-N 2.97Å; T547-L550 VanDerWaalsContact O-N 3.07Å; E548-L550 PolarHBondContact O-N 3.05Å; E548-L550 VanDerWaalsContact O-N 3.08Å; L550-E552 VanDerWaalsContact C-N 3.28Å; L550-E552 PolarHBondContact O-N 3.46Å; L550-L553 WeakPolarHBondContact O-CB 3.46Å; L550-L553 PolarHBondContact O-N 3.39Å; L550-L553 VanDerWaalsContact O-N 3.11Å
551S91.6Very high92.7Very high1 Ų150.3 Ų50.31%0.00723%0.227CC..THydrogen-bonded Turntrans-56.8-41.2179.268.10000111.9E548 R549 L553 L554 D555E548-S551 WeakPolarHBondContact O-CB 3.45Å; E548-S551 PolarHBondContact O-N 3.42Å; E548-S551 PolarHBondContact O-OG 3.28Å; E548-S551 PolarHBondContact OE1-OG 3.34Å; E548-S551 VanDerWaalsContact OE1-OG 3.09Å; R549-S551 PolarHBondContact O-N 3.33Å; S551-L553 VanDerWaalsContact C-N 3.26Å; S551-L553 PolarHBondContact O-N 2.84Å; S551-L554 PolarHBondContact O-N 3.37Å; S551-D555 PolarHBondContact O-N 3.2Å
552E89.3Confident92.7Very high93 Ų9349.9 Ų49.944%0.43522%0.222SC..G310 helixtrans-59.2-37.4178-65.7-171.7169.400112.2K240 L550 L554 D555 N558K240-E552 WeakPolarHBondContact CE-OE1 3.41Å; K240-E552 IonicContact NZ-OE1 3.61Å; K240-E552 PolarHBondContact NZ-OE1 2.89Å; L550-E552 VanDerWaalsContact C-N 3.28Å; L550-E552 PolarHBondContact O-N 3.46Å; E552-L554 PolarHBondContact O-N 2.99Å; E552-D555 WeakPolarHBondContact O-CB 3.36Å; E552-D555 PolarHBondContact O-N 2.95Å; E552-N558 PolarHBondContact O-ND2 3.35Å
553L91.8Very high92.7Very high48 Ų4847.2 Ų47.225%0.25121%0.205SC..G310 helixtrans-63.2-24.3178.7-170.370.6000111.9F495 I496 H499 V500 L550 S551 L559F495-L553 HydrophobicContact CE1-CD1 4.47Å; F495-L553 HydrophobicContact CE1-CD2 3.73Å; F495-L553 HydrophobicContact CE1-CG 3.65Å; F495-L553 HydrophobicContact CZ-CD1 4.21Å; F495-L553 HydrophobicContact CZ-CD2 4.25Å; F495-L553 HydrophobicContact CZ-CG 3.86Å; I496-L553 HydrophobicContact CD1-CD2 3.98Å; H499-L553 HydrophobicContact CB-CD1 4.21Å; H499-L553 HydrophobicContact CB-CD2 3.85Å; V500-L553 HydrophobicContact CG2-CD2 3.97Å; L550-L553 WeakPolarHBondContact O-CB 3.46Å; L550-L553 PolarHBondContact O-N 3.39Å; L550-L553 VanDerWaalsContact O-N 3.11Å; S551-L553 VanDerWaalsContact C-N 3.26Å; S551-L553 PolarHBondContact O-N 2.84Å; L553-L559 WeakPolarHBondContact O-CD2 3.27Å
554L92.9Very high92.6Very high2 Ų250.2 Ų50.21%0.0122%0.216CC..G310 helixtrans-98.1-3.9-178.2-53.6175.5000113.2G235 L236 T478 F492 F495 I496 S551 E552G235-L554 CarbonylContact C-O 3.58Å; G235-L554 WeakPolarHBondContact CA-O 3.35Å; L236-L554 PolarHBondContact N-O 3.42Å; T478-L554 HydrophobicContact CG2-CD1 3.67Å; F492-L554 HydrophobicContact CD2-CD2 4.18Å; F492-L554 HydrophobicContact CE2-CD1 3.79Å; F492-L554 HydrophobicContact CE2-CD2 3.8Å; F492-L554 HydrophobicContact CE2-CG 4.45Å; F495-L554 HydrophobicContact CD1-CD2 4.19Å; F495-L554 HydrophobicContact CE1-CD2 3.94Å; I496-L554 HydrophobicContact CD1-CD2 4.45Å; S551-L554 PolarHBondContact O-N 3.37Å; E552-L554 PolarHBondContact O-N 2.99Å
555D92.6Very high92.7Very high19 Ų1953.5 Ų53.510%0.10223%0.232CC..BIsolated β-bridgetrans-71.5137.3-179.5-169-26.3000110.7V238 S551 E552 R557 N558 L559V238-D555 HydrophobicContact CB-CB 4.22Å; V238-D555 HydrophobicContact CG2-CB 3.92Å; S551-D555 PolarHBondContact O-N 3.2Å; E552-D555 WeakPolarHBondContact O-CB 3.36Å; E552-D555 PolarHBondContact O-N 2.95Å; D555-R557 PolarHBondContact O-N 3.23Å; D555-R557 VanDerWaalsContact O-N 3.14Å; D555-R557 WeakPolarHBondContact OD1-CG 3.47Å; D555-R557 PolarHBondContact OD1-N 2.68Å; D555-N558 PolarHBondContact O-N 2.86Å; D555-L559 PolarHBondContact O-N 3.24Å
556W92.3Very high92.9Very high7 Ų751.7 Ų51.73%0.02722%0.222CC..Hα-helixtrans-53.3-28170-80.2118.5000114T3 K4 I7 G235 L236 N558 L559 G560 Y563T3-W556 PolarHBondContact O-NE1 3.05Å; T3-W556 PolarHBondContact OG1-NE1 3.26Å; K4-W556 HydrophobicContact CB-CD2 4.23Å; K4-W556 HydrophobicContact CB-CE3 4.28Å; K4-W556 HydrophobicContact CB-CH2 3.96Å; K4-W556 HydrophobicContact CB-CZ2 3.89Å; K4-W556 HydrophobicContact CB-CZ3 4.17Å; K4-W556 HydrophobicContact CD-CH2 4.41Å; K4-W556 HydrophobicContact CD-CZ3 4.28Å; K4-W556 HydrophobicContact CG-CD2 4.35Å; K4-W556 HydrophobicContact CG-CE3 3.95Å; K4-W556 HydrophobicContact CG-CH2 4.04Å; K4-W556 HydrophobicContact CG-CZ2 4.44Å; K4-W556 HydrophobicContact CG-CZ3 3.8Å; I7-W556 HydrophobicContact CB-CB 4.28Å; I7-W556 HydrophobicContact CG2-CB 4.02Å; I7-W556 HydrophobicContact CG2-CG 4.49Å; G235-W556 VanDerWaalsContact C-CE2 3.47Å; G235-W556 VanDerWaalsContact O-CE2 3.26Å; G235-W556 WeakPolarHBondContact O-CZ2 2.97Å; G235-W556 PolarHBondContact O-NE1 2.87Å; L236-W556 PolarHBondContact O-N 3.36Å; W556-N558 PolarHBondContact O-N 3.47Å; W556-L559 HydrophobicContact CE3-CB 4.16Å; W556-L559 HydrophobicContact CZ3-CB 4.43Å; W556-L559 PolarHBondContact O-N 3.42Å; W556-G560 WeakPolarHBondContact O-CA 3.45Å; W556-G560 PolarHBondContact O-N 2.87Å; W556-Y563 HydrophobicContact CH2-CE2 4.21Å; W556-Y563 HydrophobicContact CZ3-CD2 4.25Å; W556-Y563 AromaticContact CZ3-CE2 3.83Å; W556-Y563 HydrophobicContact CZ3-CE2 3.83Å
557R88.4Confident93Very high176 Ų17648 Ų4866%0.66421%0.208SC*.Hα-helixtrans-56.5-37.4173.3-69176.3177.8170.51.2112.8I7 D555I7-R557 HydrophobicContact CD1-CG 4.38Å; D555-R557 PolarHBondContact O-N 3.23Å; D555-R557 VanDerWaalsContact O-N 3.14Å; D555-R557 WeakPolarHBondContact OD1-CG 3.47Å; D555-R557 PolarHBondContact OD1-N 2.68Å
558N90.5Very high93Very high85 Ų8551.7 Ų51.746%0.45523%0.225SC..Hα-helixtrans-89.1-43176.7-70.6-31.9000111.2E552 D555 W556 G560 F561E552-N558 PolarHBondContact O-ND2 3.35Å; D555-N558 PolarHBondContact O-N 2.86Å; W556-N558 PolarHBondContact O-N 3.47Å; N558-G560 PolarHBondContact O-N 3.09Å; N558-F561 WeakPolarHBondContact O-CB 3.43Å; N558-F561 PolarHBondContact O-N 2.73Å
559L93.6Very high93.2Very high3 Ų351.9 Ų51.92%0.01623%0.227CC..Hα-helixtrans-77.3-19.7-174.9-61.6-178000114.2P233 G235 F495 L553 D555 W556 F561 Y562P233-L559 HydrophobicContact CB-CD1 4.16Å; P233-L559 HydrophobicContact CB-CD2 4.06Å; P233-L559 HydrophobicContact CG-CD2 4.34Å; G235-L559 VanDerWaalsContact CA-CD1 3.42Å; F495-L559 HydrophobicContact CE2-CD2 4.01Å; F495-L559 HydrophobicContact CZ-CD2 3.67Å; L553-L559 WeakPolarHBondContact O-CD2 3.27Å; D555-L559 PolarHBondContact O-N 3.24Å; W556-L559 HydrophobicContact CE3-CB 4.16Å; W556-L559 HydrophobicContact CZ3-CB 4.43Å; W556-L559 PolarHBondContact O-N 3.42Å; L559-F561 PolarHBondContact O-N 2.94Å; L559-Y562 HydrophobicContact CD2-CD2 4.12Å; L559-Y562 HydrophobicContact CD2-CE2 3.74Å; L559-Y562 WeakPolarHBondContact O-CD2 3.47Å; L559-Y562 PolarHBondContact O-N 2.92Å
560G92.4Very high93.5Very high4 Ų444.4 Ų44.44%0.04120%0.199CC..Hα-helixtrans-59.4-24.6172.100000112.7W556 N558 Y562 Y563 R564W556-G560 WeakPolarHBondContact O-CA 3.45Å; W556-G560 PolarHBondContact O-N 2.87Å; N558-G560 PolarHBondContact O-N 3.09Å; G560-Y562 VanDerWaalsContact C-N 3.31Å; G560-Y562 PolarHBondContact O-N 3.09Å; G560-Y563 WeakPolarHBondContact O-CB 3.48Å; G560-Y563 PolarHBondContact O-N 2.91Å; G560-Y563 VanDerWaalsContact O-N 3.17Å; G560-R564 PolarHBondContact O-N 2.8Å; G560-R564 VanDerWaalsContact O-N 3.08Å
561F92.9Very high93.7Very high108 Ų10844.8 Ų44.847%0.47420%0.201SC..Hα-helixtrans-53.2-43.3172.8173.3-98.2000113N558 L559 Y563 R564 Q565N558-F561 WeakPolarHBondContact O-CB 3.43Å; N558-F561 PolarHBondContact O-N 2.73Å; L559-F561 PolarHBondContact O-N 2.94Å; F561-Y563 VanDerWaalsContact C-N 3.3Å; F561-Y563 PolarHBondContact O-N 3.27Å; F561-R564 WeakPolarHBondContact O-CB 3.16Å; F561-R564 PolarHBondContact O-N 3.34Å; F561-R564 VanDerWaalsContact O-N 3.17Å; F561-Q565 PolarHBondContact O-N 2.73Å
562Y94.9Very high93.9Very high50 Ų5046.7 Ų46.720%0.19621%0.214CC..Hα-helixtrans-66.5-33.7-178.5-64-77.6000112.3I231 P233 H499 L559 G560 Q565 A566I231-Y562 WeakPolarHBondContact O-CB 3.24Å; I231-Y562 WeakPolarHBondContact O-CD1 3.45Å; P233-Y562 HydrophobicContact CG-CD2 4.1Å; P233-Y562 HydrophobicContact CG-CE2 4.12Å; H499-Y562 PolarHBondContact NE2-OH 3.2Å; L559-Y562 HydrophobicContact CD2-CD2 4.12Å; L559-Y562 HydrophobicContact CD2-CE2 3.74Å; L559-Y562 WeakPolarHBondContact O-CD2 3.47Å; L559-Y562 PolarHBondContact O-N 2.92Å; G560-Y562 VanDerWaalsContact C-N 3.31Å; G560-Y562 PolarHBondContact O-N 3.09Å; Y562-Q565 PolarHBondContact O-N 2.92Å; Y562-A566 PolarHBondContact O-N 3.41Å
563Y94.9Very high94.2Very high4 Ų447.7 Ų47.72%0.01621%0.214CC..Hα-helixtrans-69-40.1173.6-83.4-91.5000111.8K4 H132 H134 T232 W556 G560 F561 Q565 A566 R567K4-Y563 HydrophobicContact CD-CD1 3.74Å; K4-Y563 HydrophobicContact CD-CD2 3.81Å; K4-Y563 HydrophobicContact CD-CE1 3.55Å; K4-Y563 HydrophobicContact CD-CE2 3.62Å; K4-Y563 HydrophobicContact CD-CG 3.86Å; K4-Y563 VanDerWaalsContact CD-CZ 3.48Å; H132-Y563 AromaticContact CE1-CD1 3.46Å; H132-Y563 VanDerWaalsContact CE1-CD1 3.46Å; H132-Y563 WeakPolarHBondContact CE1-CD1 3.4Å; H132-Y563 AromaticContact CE1-CE1 3.42Å; H132-Y563 VanDerWaalsContact CE1-CE1 3.42Å; H132-Y563 WeakPolarHBondContact CE1-CE1 3.15Å; H132-Y563 AromaticContact ND1-CD1 3.87Å; H134-Y563 AromaticContact CE1-CE1 3.92Å; T232-Y563 HydrophobicContact CG2-CD1 4.41Å; T232-Y563 HydrophobicContact CG2-CD2 4.13Å; T232-Y563 HydrophobicContact CG2-CE1 4.4Å; T232-Y563 HydrophobicContact CG2-CE2 4.13Å; T232-Y563 HydrophobicContact CG2-CG 4.28Å; W556-Y563 HydrophobicContact CH2-CE2 4.21Å; W556-Y563 HydrophobicContact CZ3-CD2 4.25Å; W556-Y563 AromaticContact CZ3-CE2 3.83Å; W556-Y563 HydrophobicContact CZ3-CE2 3.83Å; G560-Y563 WeakPolarHBondContact O-CB 3.48Å; G560-Y563 PolarHBondContact O-N 2.91Å; G560-Y563 VanDerWaalsContact O-N 3.17Å; F561-Y563 VanDerWaalsContact C-N 3.3Å; F561-Y563 PolarHBondContact O-N 3.27Å; Y563-Q565 VanDerWaalsContact C-N 3.34Å; Y563-A566 PolarHBondContact O-N 3.34Å; Y563-R567 WeakPolarHBondContact O-CG 3.31Å; Y563-R567 PolarHBondContact O-N 3.26Å
564R94.6Very high94.4Very high87 Ų8747.1 Ų47.133%0.32821%0.212SC..Hα-helixtrans-59.8-46.1171.9-178.3-177-54.1145.77.4111.1E11 G560 F561 A566 R567 Q568E11-R564 WeakPolarHBondContact OE1-CG 3.36Å; E11-R564 IonicContact OE1-NE 2.73Å; E11-R564 PolarHBondContact OE1-NE 3.03Å; E11-R564 IonicContact OE2-CZ 3.45Å; E11-R564 VanDerWaalsContact OE2-CZ 3.29Å; E11-R564 IonicContact OE2-NE 3.01Å; E11-R564 PolarHBondContact OE2-NE 2.91Å; E11-R564 IonicContact OE2-NH2 3.89Å; E11-R564 PolarHBondContact OE2-NH2 2.78Å; G560-R564 PolarHBondContact O-N 2.8Å; G560-R564 VanDerWaalsContact O-N 3.08Å; F561-R564 WeakPolarHBondContact O-CB 3.16Å; F561-R564 PolarHBondContact O-N 3.34Å; F561-R564 VanDerWaalsContact O-N 3.17Å; R564-A566 VanDerWaalsContact C-N 3.34Å; R564-A566 PolarHBondContact O-N 3.5Å; R564-R567 PolarHBondContact O-N 3.41Å; R564-Q568 HydrophobicContact CG-CG 4.32Å; R564-Q568 WeakPolarHBondContact O-CB 3.22Å; R564-Q568 VanDerWaalsContact O-CG 3.3Å; R564-Q568 WeakPolarHBondContact O-CG 3.2Å; R564-Q568 PolarHBondContact O-N 3.04Å
565Q94.7Very high94.5Very high82 Ų8248.2 Ų48.238%0.38322%0.218SC..Hα-helixtrans-58.3-45176.7-172.5-177.941.500111.5F561 Y562 Y563 Q568 L569F561-Q565 PolarHBondContact O-N 2.73Å; Y562-Q565 PolarHBondContact O-N 2.92Å; Y563-Q565 VanDerWaalsContact C-N 3.34Å; Q565-Q568 PolarHBondContact O-N 2.69Å; Q565-L569 VanDerWaalsContact O-CB 3.27Å; Q565-L569 WeakPolarHBondContact O-CB 3.33Å; Q565-L569 PolarHBondContact O-N 3.23Å
566A97.2Very high94.5Very high0 Ų051.1 Ų51.10%024%0.237CC..Hα-helixtrans-62.1-44.1177.600000112.5V155 V208 T210 V230 Y562 Y563 R564 L569 A570V155-A566 HydrophobicContact CG1-CB 4.19Å; V208-A566 HydrophobicContact CG1-CB 4.17Å; T210-A566 HydrophobicContact CG2-CB 3.85Å; V230-A566 HydrophobicContact CB-CB 4.34Å; V230-A566 HydrophobicContact CG1-CB 4.43Å; V230-A566 HydrophobicContact CG2-CB 4.41Å; Y562-A566 PolarHBondContact O-N 3.41Å; Y563-A566 PolarHBondContact O-N 3.34Å; R564-A566 VanDerWaalsContact C-N 3.34Å; R564-A566 PolarHBondContact O-N 3.5Å; A566-L569 PolarHBondContact O-N 2.91Å; A566-A570 PolarHBondContact O-N 3.31Å
567R96.1Very high94.5Very high26 Ų2658.2 Ų58.210%0.09827%0.271CS..Hα-helixtrans-63.1-47.2175.6-69.8-173.3-67.7-88.51.3111.8E11 V130 Y563 R564 L569 A570 L571E11-R567 IonicContact OE1-CZ 2.89Å; E11-R567 IonicContact OE1-NE 3.68Å; E11-R567 IonicContact OE1-NH2 3.23Å; E11-R567 PolarHBondContact OE1-NH2 3.43Å; E11-R567 IonicContact OE2-NH2 2.65Å; E11-R567 PolarHBondContact OE2-NH2 3.1Å; V130-R567 HydrophobicContact CG1-CB 4.35Å; V130-R567 HydrophobicContact CG1-CG 4.06Å; Y563-R567 WeakPolarHBondContact O-CG 3.31Å; Y563-R567 PolarHBondContact O-N 3.26Å; R564-R567 PolarHBondContact O-N 3.41Å; R567-L569 VanDerWaalsContact C-N 3.32Å; R567-L569 PolarHBondContact O-N 3.37Å; R567-A570 WeakPolarHBondContact O-CB 3.29Å; R567-A570 PolarHBondContact O-N 2.84Å; R567-L571 WeakPolarHBondContact O-CG 3.26Å; R567-L571 PolarHBondContact O-N 2.77Å
568Q95Very high94.2Very high77 Ų7754.6 Ų54.636%0.3626%0.257SS..Hα-helixtrans-61.9-39.5178.4-77.4-174.83.700112.4R564 Q565 A570 L571 S572 F579R564-Q568 HydrophobicContact CG-CG 4.32Å; R564-Q568 WeakPolarHBondContact O-CB 3.22Å; R564-Q568 VanDerWaalsContact O-CG 3.3Å; R564-Q568 WeakPolarHBondContact O-CG 3.2Å; R564-Q568 PolarHBondContact O-N 3.04Å; Q565-Q568 PolarHBondContact O-N 2.69Å; Q568-A570 VanDerWaalsContact C-N 3.34Å; Q568-L571 PolarHBondContact O-N 3.46Å; Q568-S572 PolarHBondContact O-N 2.89Å; Q568-S572 PolarHBondContact O-OG 3.49Å; Q568-F579 HydrophobicContact CB-CE2 4.05Å; Q568-F579 HydrophobicContact CB-CZ 3.65Å; Q568-F579 HydrophobicContact CG-CE2 3.96Å; Q568-F579 HydrophobicContact CG-CZ 3.87Å
569L96.8Very high94.1Very high47 Ų4751.4 Ų51.425%0.24624%0.239CC..Hα-helixtrans-66.3-37.2175.6-176.763.3000111.7V208 D229 V230 Q565 A566 R567 S572 R573V208-L569 HydrophobicContact CG1-CD2 4.28Å; V208-L569 HydrophobicContact CG2-CB 3.97Å; V208-L569 HydrophobicContact CG2-CD2 3.93Å; V208-L569 HydrophobicContact CG2-CG 3.72Å; D229-L569 HydrophobicContact CB-CD2 4.06Å; V230-L569 HydrophobicContact CG2-CD2 3.88Å; Q565-L569 VanDerWaalsContact O-CB 3.27Å; Q565-L569 WeakPolarHBondContact O-CB 3.33Å; Q565-L569 PolarHBondContact O-N 3.23Å; A566-L569 PolarHBondContact O-N 2.91Å; R567-L569 VanDerWaalsContact C-N 3.32Å; R567-L569 PolarHBondContact O-N 3.37Å; L569-S572 WeakPolarHBondContact CA-OG 3.41Å; L569-S572 PolarHBondContact O-N 3.26Å; L569-S572 PolarHBondContact O-OG 3.43Å; L569-R573 WeakPolarHBondContact O-CB 3.5Å; L569-R573 VanDerWaalsContact O-CG 3.31Å; L569-R573 WeakPolarHBondContact O-CG 3.44Å; L569-R573 PolarHBondContact O-N 3Å; L569-R573 VanDerWaalsContact O-N 3.08Å
570A97.9Very high93.7Very high0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-64.9-44.8176.100000110.7V155 V208 A566 R567 Q568 R573 T574V155-A570 HydrophobicContact CG2-CB 3.76Å; V208-A570 HydrophobicContact CB-CB 4.25Å; V208-A570 HydrophobicContact CG2-CB 3.77Å; A566-A570 PolarHBondContact O-N 3.31Å; R567-A570 WeakPolarHBondContact O-CB 3.29Å; R567-A570 PolarHBondContact O-N 2.84Å; Q568-A570 VanDerWaalsContact C-N 3.34Å; A570-R573 PolarHBondContact O-N 3.02Å; A570-T574 PolarHBondContact O-N 2.93Å; A570-T574 VanDerWaalsContact O-N 3.14Å; A570-T574 PolarHBondContact O-OG1 3.2Å
571L96.4Very high93.2Very high22 Ų2259.6 Ų59.612%0.11529%0.286CS..Hα-helixtrans-61.9-43.2174.4-68.5177.9000112.5L128 V130 S153 R567 Q568 R573 T574 H575 F579L128-L571 HydrophobicContact CB-CD2 3.68Å; L128-L571 HydrophobicContact CD1-CD1 4.43Å; L128-L571 HydrophobicContact CD1-CD2 3.98Å; L128-L571 HydrophobicContact CG-CD2 4.37Å; V130-L571 HydrophobicContact CG2-CD1 4.13Å; V130-L571 HydrophobicContact CG2-CD2 3.5Å; V130-L571 HydrophobicContact CG2-CG 3.68Å; S153-L571 WeakPolarHBondContact OG-CD2 3.5Å; R567-L571 WeakPolarHBondContact O-CG 3.26Å; R567-L571 PolarHBondContact O-N 2.77Å; Q568-L571 PolarHBondContact O-N 3.46Å; L571-R573 PolarHBondContact O-N 3.29Å; L571-T574 PolarHBondContact O-N 2.8Å; L571-H575 CarbonylContact O-C 3.35Å; L571-H575 WeakPolarHBondContact O-CA 3.24Å; L571-H575 PolarHBondContact O-N 2.64Å; L571-F579 HydrophobicContact CB-CB 4.45Å; L571-F579 HydrophobicContact CB-CD2 3.67Å; L571-F579 HydrophobicContact CB-CE2 4.15Å; L571-F579 HydrophobicContact CB-CG 4.15Å; L571-F579 HydrophobicContact CD1-CD2 4.09Å; L571-F579 HydrophobicContact CD1-CE2 4.25Å
572S95.7Very high92.5Very high40 Ų4058.2 Ų58.228%0.2828%0.283SS..Hα-helixtrans-66.6-27.8179.570.50000112.9Q568 L569 P576Q568-S572 PolarHBondContact O-N 2.89Å; Q568-S572 PolarHBondContact O-OG 3.49Å; L569-S572 WeakPolarHBondContact CA-OG 3.41Å; L569-S572 PolarHBondContact O-N 3.26Å; L569-S572 PolarHBondContact O-OG 3.43Å; S572-P576 WeakPolarHBondContact O-CB 3.13Å
573R96.5Very high91.7Very high115 Ų11561.2 Ų61.243%0.43430%0.297SS..Hα-helixtrans-78.2-34.8177.2-75.3177-179.8-174.2-0.1112.6H207 D229 L569 A570 L571H207-R573 WeakPolarHBondContact O-CD 3.49Å; H207-R573 PolarHBondContact O-NH1 3.32Å; D229-R573 IonicContact OD1-CZ 3.96Å; D229-R573 VanDerWaalsContact OD1-CZ 3.24Å; D229-R573 IonicContact OD1-NH1 3.44Å; D229-R573 PolarHBondContact OD1-NH1 3.11Å; D229-R573 IonicContact OD1-NH2 2.77Å; D229-R573 PolarHBondContact OD1-NH2 2.99Å; D229-R573 IonicContact OD2-NH1 2.97Å; D229-R573 PolarHBondContact OD2-NH1 3.46Å; L569-R573 WeakPolarHBondContact O-CB 3.5Å; L569-R573 VanDerWaalsContact O-CG 3.31Å; L569-R573 WeakPolarHBondContact O-CG 3.44Å; L569-R573 PolarHBondContact O-N 3Å; L569-R573 VanDerWaalsContact O-N 3.08Å; A570-R573 PolarHBondContact O-N 3.02Å; L571-R573 PolarHBondContact O-N 3.29Å
574T96.3Very high90.9Very high35 Ų3563.3 Ų63.322%0.21532%0.315CS..Hα-helixtrans-100-28.8-175.4630000114S153 H207 A570 L571S153-T574 PolarHBondContact OG-OG1 2.98Å; H207-T574 HydrophobicContact CB-CG2 4.24Å; H207-T574 WeakPolarHBondContact CD2-CG2 3.48Å; H207-T574 WeakPolarHBondContact NE2-CG2 3.37Å; A570-T574 PolarHBondContact O-N 2.93Å; A570-T574 VanDerWaalsContact O-N 3.14Å; A570-T574 PolarHBondContact O-OG1 3.2Å; L571-T574 PolarHBondContact O-N 2.8Å
575H94.9Very high89.8Confident26 Ų2663.8 Ų63.812%0.1232%0.322CS..  trans-136.758.9-178-49.3-63.7000111.3L128 D151 L571 E577 R578 F579L128-H575 HydrophobicContact CD1-CB 4.49Å; L128-H575 HydrophobicContact CD2-CB 3.8Å; D151-H575 IonicContact OD1-CE1 3.05Å; D151-H575 PolarHBondContact OD1-CE1 3.42Å; D151-H575 IonicContact OD1-ND1 3.98Å; D151-H575 IonicContact OD1-NE2 3.87Å; L571-H575 CarbonylContact O-C 3.35Å; L571-H575 WeakPolarHBondContact O-CA 3.24Å; L571-H575 PolarHBondContact O-N 2.64Å; H575-E577 VanDerWaalsContact C-N 3.34Å; H575-E577 PolarHBondContact O-N 3.48Å; H575-R578 HydrophobicContact CB-CB 4.27Å; H575-R578 PolarHBondContact O-N 2.83Å; H575-F579 WeakPolarHBondContact O-CB 3.41Å; H575-F579 PolarHBondContact O-N 3.38Å
576P93.1Very high88.7Confident79 Ų7963 Ų6351%0.51333%0.329SS..Hα-helixtrans-55.7-43.3-172.620.7-32.7000113.7S572 A580S572-P576 WeakPolarHBondContact O-CB 3.13Å; P576-A580 WeakPolarHBondContact O-CB 3.25Å; P576-A580 PolarHBondContact O-N 2.82Å
577E91.2Very high87.5Confident157 Ų15766.7 Ų66.773%0.73436%0.36SS*.Hα-helixtrans-66.8-55-178.8-64178.3175.100111.6H575 F579 A580 E581H575-E577 VanDerWaalsContact C-N 3.34Å; H575-E577 PolarHBondContact O-N 3.48Å; E577-F579 PolarHBondContact O-N 3.21Å; E577-A580 WeakPolarHBondContact O-CB 3.34Å; E577-A580 PolarHBondContact O-N 3.28Å; E577-E581 WeakPolarHBondContact O-CG 3.44Å; E577-E581 PolarHBondContact O-N 2.93Å
578R83.7Confident85.9Confident99 Ų9974.9 Ų74.937%0.37439%0.39SS..Hα-helixtrans-60.7-34.5177.1-70.5-174.7173.8176.90.6112.9S126 L128 H575 E581 L582S126-R578 PolarHBondContact O-NH1 3.47Å; S126-R578 PolarHBondContact OG-NH1 3.23Å; S126-R578 PolarHBondContact OG-NH2 3.24Å; L128-R578 HydrophobicContact CD1-CB 4.28Å; L128-R578 HydrophobicContact CD2-CB 4.22Å; H575-R578 HydrophobicContact CB-CB 4.27Å; H575-R578 PolarHBondContact O-N 2.83Å; R578-E581 PolarHBondContact O-N 2.73Å; R578-L582 WeakPolarHBondContact O-CG 3.5Å; R578-L582 PolarHBondContact O-N 2.79Å
579F86.4Confident83.9Confident19 Ų1979 Ų798%0.08341%0.408CS..Hα-helixtrans-69.3-38176-177.6-111.9000112Q568 L571 H575 E577 L582 K583Q568-F579 HydrophobicContact CB-CE2 4.05Å; Q568-F579 HydrophobicContact CB-CZ 3.65Å; Q568-F579 HydrophobicContact CG-CE2 3.96Å; Q568-F579 HydrophobicContact CG-CZ 3.87Å; L571-F579 HydrophobicContact CB-CB 4.45Å; L571-F579 HydrophobicContact CB-CD2 3.67Å; L571-F579 HydrophobicContact CB-CE2 4.15Å; L571-F579 HydrophobicContact CB-CG 4.15Å; L571-F579 HydrophobicContact CD1-CD2 4.09Å; L571-F579 HydrophobicContact CD1-CE2 4.25Å; H575-F579 WeakPolarHBondContact O-CB 3.41Å; H575-F579 PolarHBondContact O-N 3.38Å; E577-F579 PolarHBondContact O-N 3.21Å; F579-L582 PolarHBondContact O-N 3.04Å; F579-K583 HydrophobicContact CD1-CD 4.33Å; F579-K583 HydrophobicContact CE1-CD 3.72Å; F579-K583 HydrophobicContact CE1-CG 4.27Å; F579-K583 HydrophobicContact CE2-CG 4.45Å; F579-K583 HydrophobicContact CZ-CD 3.94Å; F579-K583 HydrophobicContact CZ-CG 4.13Å; F579-K583 WeakPolarHBondContact O-CB 3.31Å; F579-K583 PolarHBondContact O-N 3.05Å
580A86.2Confident81.4Confident58 Ų5887.9 Ų87.948%0.47944%0.438SS..Hα-helixtrans-64.1-41.1173.200000111.6P576 E577 K583 A584P576-A580 WeakPolarHBondContact O-CB 3.25Å; P576-A580 PolarHBondContact O-N 2.82Å; E577-A580 WeakPolarHBondContact O-CB 3.34Å; E577-A580 PolarHBondContact O-N 3.28Å; A580-K583 PolarHBondContact O-N 2.79Å; A580-A584 WeakPolarHBondContact O-CB 3.4Å; A580-A584 PolarHBondContact O-N 3.14Å
581E81.8Confident78.9Confident120 Ų12098.5 Ų98.556%0.56148%0.479SS*.Hα-helixtrans-59.8-50.8173.3-69.4171.7174.800111.7E577 R578 K583 A584 E585E577-E581 WeakPolarHBondContact O-CG 3.44Å; E577-E581 PolarHBondContact O-N 2.93Å; R578-E581 PolarHBondContact O-N 2.73Å; E581-K583 VanDerWaalsContact C-N 3.31Å; E581-K583 PolarHBondContact O-N 3.21Å; E581-A584 CarbonylContact O-C 3.57Å; E581-A584 WeakPolarHBondContact O-CA 3.2Å; E581-A584 WeakPolarHBondContact O-CB 3.43Å; E581-A584 PolarHBondContact O-N 2.73Å; E581-E585 WeakPolarHBondContact O-CG 3.49Å; E581-E585 PolarHBondContact O-N 2.83Å
582L77.7Confident76.3Confident79 Ų79102.8 Ų102.841%0.41451%0.509SS..Hα-helixtrans-59-40.4176.9-76.3171.2000112.7L128 R578 F579 A584 E585 A586L128-L582 HydrophobicContact CD1-CD1 3.26Å; L128-L582 HydrophobicContact CG-CD1 4.13Å; R578-L582 WeakPolarHBondContact O-CG 3.5Å; R578-L582 PolarHBondContact O-N 2.79Å; F579-L582 PolarHBondContact O-N 3.04Å; L582-A584 VanDerWaalsContact C-N 3.34Å; L582-E585 PolarHBondContact O-N 3.35Å; L582-A586 WeakPolarHBondContact O-CB 3.41Å; L582-A586 PolarHBondContact O-N 3.33Å
583K78.8Confident73.5Confident113 Ų113110.1 Ų110.149%0.49154%0.536SS..Hα-helixtrans-62.8-41.5174-87.3-172.6164.7175.70111.7F579 A580 E581 A587F579-K583 HydrophobicContact CD1-CD 4.33Å; F579-K583 HydrophobicContact CE1-CD 3.72Å; F579-K583 HydrophobicContact CE1-CG 4.27Å; F579-K583 HydrophobicContact CE2-CG 4.45Å; F579-K583 HydrophobicContact CZ-CD 3.94Å; F579-K583 HydrophobicContact CZ-CG 4.13Å; F579-K583 WeakPolarHBondContact O-CB 3.31Å; F579-K583 PolarHBondContact O-N 3.05Å; A580-K583 PolarHBondContact O-N 2.79Å; E581-K583 VanDerWaalsContact C-N 3.31Å; E581-K583 PolarHBondContact O-N 3.21Å; K583-A587 WeakPolarHBondContact O-CB 3.16Å; K583-A587 PolarHBondContact O-N 3.43Å
584A78.3Confident70.8Confident48 Ų48110.4 Ų110.440%0.39755%0.552SS.*Hα-helixtrans-67-40.5177.200000111.8A580 E581 L582 A587 R588A580-A584 WeakPolarHBondContact O-CB 3.4Å; A580-A584 PolarHBondContact O-N 3.14Å; E581-A584 CarbonylContact O-C 3.57Å; E581-A584 WeakPolarHBondContact O-CA 3.2Å; E581-A584 WeakPolarHBondContact O-CB 3.43Å; E581-A584 PolarHBondContact O-N 2.73Å; L582-A584 VanDerWaalsContact C-N 3.34Å; A584-A587 PolarHBondContact O-N 3.27Å; A584-R588 WeakPolarHBondContact O-CG 3.42Å; A584-R588 PolarHBondContact O-N 2.86Å
585E72.2Confident68.3Low98 Ų98117 Ų11746%0.45859%0.585SS.*Hα-helixtrans-62.5-46.4173.9-72.9-179.6173.500111.9E581 L582 A587 R588 F589E581-E585 WeakPolarHBondContact O-CG 3.49Å; E581-E585 PolarHBondContact O-N 2.83Å; L582-E585 PolarHBondContact O-N 3.35Å; E585-A587 VanDerWaalsContact C-N 3.27Å; E585-A587 PolarHBondContact O-N 2.77Å; E585-R588 WeakPolarHBondContact O-CB 3.45Å; E585-R588 PolarHBondContact O-N 3.29Å; E585-F589 WeakPolarHBondContact O-CD2 3.19Å
586A69.6Low65.8Low64 Ų64120.9 Ų120.953%0.52962%0.616SS.*Hα-helixtrans-59.4-37.9175.200000112.1L582 R588 F589L582-A586 WeakPolarHBondContact O-CB 3.41Å; L582-A586 PolarHBondContact O-N 3.33Å; A586-R588 VanDerWaalsContact C-N 3.29Å; A586-R588 PolarHBondContact O-N 3.08Å; A586-F589 PolarHBondContact O-N 2.97Å
587A72.2Confident63.2Low79 Ų79121.3 Ų121.365%0.65363%0.626SS**Hα-helixtrans-70.6-19.6176.300000114K583 A584 E585 F589K583-A587 WeakPolarHBondContact O-CB 3.16Å; K583-A587 PolarHBondContact O-N 3.43Å; A584-A587 PolarHBondContact O-N 3.27Å; E585-A587 VanDerWaalsContact C-N 3.27Å; E585-A587 PolarHBondContact O-N 2.77Å; A587-F589 VanDerWaalsContact C-N 3.31Å
588R64Low60.7Low197 Ų197119.9 Ų119.974%0.74363%0.63SS**Hα-helixtrans-73.3-21.6175.3-71.4172.2-175.8177.31.8112.7A584 E585 A586 R590A584-R588 WeakPolarHBondContact O-CG 3.42Å; A584-R588 PolarHBondContact O-N 2.86Å; E585-R588 WeakPolarHBondContact O-CB 3.45Å; E585-R588 PolarHBondContact O-N 3.29Å; A586-R588 VanDerWaalsContact C-N 3.29Å; A586-R588 PolarHBondContact O-N 3.08Å; R588-R590 PolarHBondContact O-N 3.28Å
589F51.5Low58.7Low165 Ų165120.3 Ų120.372%0.72465%0.648SS**  trans-72.890.8171.4-70.1-84.5000109.9E585 A586 A587 Y591E585-F589 WeakPolarHBondContact O-CD2 3.19Å; A586-F589 PolarHBondContact O-N 2.97Å; A587-F589 VanDerWaalsContact C-N 3.31Å; F589-Y591 PolarHBondContact O-N 3.43Å
590R44Very low56.5Low232 Ų232125.5 Ų125.588%0.87568%0.681SS**  trans-71.4112164.4-74-176.1-179.9179.20.3108.1R588 P592R588-R590 PolarHBondContact O-N 3.28Å; R590-P592 WeakPolarHBondContact O-CD 3.18Å
591Y45.6Very low54.3Low223 Ų223128.6 Ų128.688%0.87570%0.697SS**PPolyproline II helixtrans-55.8124161.6-79-89.1000108.2F589 K593F589-Y591 PolarHBondContact O-N 3.43Å; Y591-K593 PolarHBondContact O-N 3.27Å
592P43.3Very low52.3Low113 Ų113128.1 Ų128.173%0.73471%0.706SS**PPolyproline II helixtrans-60.1139.9166.424.6-29.6000107.9R590R590-P592 WeakPolarHBondContact O-CD 3.18Å
593K35.4Very low50.5Low194 Ų194129 Ų12984%0.84373%0.726SS**PPolyproline II helixtrans-49.1136.5175.4-74.6-178.1176.7-179.30108.3Y591 L595Y591-K593 PolarHBondContact O-N 3.27Å; K593-L595 PolarHBondContact O-N 2.97Å
594P41.4Very low48.7Very low120 Ų120128.6 Ų128.678%0.77974%0.737SS**PPolyproline II helixtrans-52.8131.6174.318.5-26.6000108S596P594-S596 PolarHBondContact O-N 3.47Å
595L43.3Very low46.9Very low173 Ų173132.4 Ų132.491%0.90676%0.755SS**  trans-51.3108.9170.6-79.8149.6000106K593 A597K593-L595 PolarHBondContact O-N 2.97Å; L595-A597 VanDerWaalsContact C-N 3.33Å; L595-A597 PolarHBondContact O-N 3.06Å
596S42.2Very low45.5Very low109 Ų109133.8 Ų133.876%0.76277%0.773SS**  trans-53.7103.9168.342.50000106.2P594P594-S596 PolarHBondContact O-N 3.47Å
597A38.1Very low44.1Very low88 Ų88134.1 Ų134.173%0.72778%0.783SS**PPolyproline II helixtrans-53.3125.916700000106L595 S599L595-A597 VanDerWaalsContact C-N 3.33Å; L595-A597 PolarHBondContact O-N 3.06Å; A597-S599 PolarHBondContact O-N 3.42Å; A597-S599 VanDerWaalsContact O-N 3.13Å
598P38.1Very low42.5Very low126 Ų126136 Ų13682%0.81879%0.791SS**PPolyproline II helixtrans-56.8126179.510.6000108T600P598-T600 PolarHBondContact O-N 2.98Å
599S42.2Very low41.6Very low108 Ų108132.5 Ų132.576%0.75579%0.793SS**PPolyproline II helixtrans-52.8128169.547.40000108.7A597A597-S599 PolarHBondContact O-N 3.42Å; A597-S599 VanDerWaalsContact O-N 3.13Å
600T40.1Very low41Very low128 Ų128133.6 Ų133.679%0.78580%0.801SS**  trans-40.7141.8166-7.10000110.3P598 S602P598-T600 PolarHBondContact O-N 2.98Å; T600-S602 PolarHBondContact O-N 3.01Å; T600-S602 VanDerWaalsContact O-N 3.13Å
601P41.5Very low40.7Very low124 Ų124128 Ų12881%0.80579%0.793SS**  trans-63.6121.1-167.20.48.8000110.5A603P601-A603 PolarHBondContact O-N 2.85Å
602S39.3Very low40.1Very low109 Ų109122 Ų12276%0.76278%0.783SS**  trans-70.896.3170.944.90000109.4T600 S604T600-S602 PolarHBondContact O-N 3.01Å; T600-S602 VanDerWaalsContact O-N 3.13Å; S602-S604 PolarHBondContact O-N 3.39Å
603A40.3Very low39.6Very low99 Ų99123.7 Ų123.782%0.81879%0.786SS**  trans-71.1100156.300000107.8P601P601-A603 PolarHBondContact O-N 2.85Å
604S40.7Very low39.6Very low104 Ų104122.9 Ų122.973%0.72779%0.785SS**  trans-107.593.8162.656.40000108.1S602S602-S604 PolarHBondContact O-N 3.39Å
605T40.5Very low39.2Very low127 Ų127125.4 Ų125.478%0.77979%0.787SS**PPolyproline II helixtrans-47.2134.5156.129.90000110.1G607T605-G607 PolarHBondContact O-N 3.41Å
606P42.8Very low38.8Very low128 Ų128125.7 Ų125.783%0.83181%0.814SS**PPolyproline II helixtrans-63.1133.8170.7-14.528.1000109.9
607G39.9Very low38.6Very low71 Ų71126.5 Ų126.573%0.73282%0.816SS**PPolyproline II helixtrans-63.6158.2174.600000113.1T605T605-G607 PolarHBondContact O-N 3.41Å
608S38.7Very low38.7Very low117 Ų117128.5 Ų128.582%0.81882%0.821SS**  trans-37.1158.6174.927.40000118.2
609P45.4Very low38.7Very low124 Ų124128.7 Ų128.781%0.80582%0.821SS**  trans-88.4138.6-154.333.8-29.3000113.6T611P609-T611 PolarHBondContact O-N 3.04Å
610E39.1Very low38.5Very low188 Ų188129.9 Ų129.988%0.87983%0.825SS**  trans-74.1105.8169.8-78.7179.6154.900110.7
611T37.8Very low38.4Very low116 Ų116130 Ų13071%0.71283%0.828SS**  trans23.5119.2130.151.20000120.3P609P609-T611 PolarHBondContact O-N 3.04Å
612S32.5Very low38.2Very low95 Ų95130.4 Ų130.466%0.66483%0.829SS**  54.3125.5126.365.50000121.1
613D31.9Very low38.1Very low149 Ų149131.9 Ų131.980%0.79783%0.834SS**  trans50.4116.8132.7-56.1-23.8000118
614E35.4Very low37.9Very low177 Ų177134.5 Ų134.583%0.82784%0.835SS**  178.4135.2114.3-97.2170.8-176.600113.2
615E33.6Very low37.7Very low174 Ų174137 Ų13781%0.81384%0.844SS**  trans83.1116.3141.1-68.3-176.816700123
616A34.9Very low37.4Very low178 Ų178137.9 Ų137.9100%1.47185%0.85SS**  trans73.90143.600000119.7

Retrieved 616 of 616 residues in 1170.6 ms (Link to these results)

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