A0A077ZJR6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJR6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 141 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
1M38.7Very low68.1Low247 Ų247113.5 Ų113.5100%1.21767%0.674SS**  0105.60-71.8-179.4172.600107.7G3M1-G3 PolarHBondContact O-N 3.43Å
2T55.9Low69.2Low138 Ų138112.2 Ų112.285%0.84765%0.654SS**  trans-87.488.5179.1-15.30000107.1E4 A6T2-E4 PolarHBondContact O-N 3.04Å; T2-A6 HydrophobicContact CG2-CB 4.46Å
3G58Low70Confident47 Ų47115.2 Ų115.249%0.48565%0.648SS.*  trans-60.1132.717800000110M1 G5 A6M1-G3 PolarHBondContact O-N 3.43Å; G3-G5 PolarHBondContact O-N 2.87Å; G3-A6 WeakPolarHBondContact O-CB 3.39Å; G3-A6 PolarHBondContact O-N 3.26Å
4E57.7Low70.5Confident212 Ų212119.7 Ų119.799%0.99165%0.649SS**THydrogen-bonded Turntrans-57.795.4175.1-162.3165-152.400108.6T2T2-E4 PolarHBondContact O-N 3.04Å
5G67.3Low71.2Confident70 Ų70119.5 Ų119.572%0.72264%0.64SS**THydrogen-bonded Turntrans133.5-6.4-167.100000114.9G3 V7G3-G5 PolarHBondContact O-N 2.87Å; G5-V7 PolarHBondContact O-N 2.85Å
6A71.8Confident71.8Confident71 Ų71115.5 Ų115.559%0.58761%0.613SS**  trans-63.3108.2173.500000110.4T2 G3T2-A6 HydrophobicContact CG2-CB 4.46Å; G3-A6 WeakPolarHBondContact O-CB 3.39Å; G3-A6 PolarHBondContact O-N 3.26Å
7V81Confident72.4Confident78 Ų78119.2 Ų119.247%0.47362%0.618SS.*  trans-68.9134.9173.3-170.40000108.1G5 E11G5-V7 PolarHBondContact O-N 2.85Å; V7-E11 HydrophobicContact CG1-CB 3.57Å; V7-E11 HydrophobicContact CG1-CG 3.43Å; V7-E11 VanDerWaalsContact CG1-CG 3.43Å
8S84.9Confident72.7Confident62 Ų62118.9 Ų118.943%0.43462%0.622SS.*  trans-61.5148.7173.868.50000110.4L10 E11 F12S8-L10 PolarHBondContact O-N 2.69Å; S8-E11 CarbonylContact O-C 3.48Å; S8-E11 WeakPolarHBondContact O-CA 3.48Å; S8-E11 PolarHBondContact O-N 3.31Å; S8-E11 WeakPolarHBondContact OG-CB 3.47Å; S8-E11 PolarHBondContact OG-N 2.85Å; S8-F12 PolarHBondContact O-N 2.8Å
9L76.6Confident73Confident125 Ų125121.9 Ų121.965%0.65463%0.625SS**Hα-helixtrans-55.1-40.5179.1-175.763.1000111.9E11 F12 W13L9-E11 VanDerWaalsContact C-N 3.33Å; L9-E11 PolarHBondContact O-N 3.15Å; L9-F12 WeakPolarHBondContact O-CB 3.2Å; L9-F12 PolarHBondContact O-N 3.22Å; L9-W13 PolarHBondContact O-N 3.37Å
10L76.3Confident73.4Confident143 Ų143117.8 Ų117.875%0.74961%0.607SS**Hα-helixtrans-60.3-41.6174.3-96.9165.6000112.5S8 R14S8-L10 PolarHBondContact O-N 2.69Å; L10-R14 WeakPolarHBondContact O-CB 3.47Å; L10-R14 PolarHBondContact O-N 3.4Å
11E80.5Confident73.6Confident55 Ų55113.8 Ų113.826%0.25759%0.592SS.*Hα-helixtrans-73.7-32.5178.2-179.6173.3-172.700112.7V7 S8 L9 R14 K15V7-E11 HydrophobicContact CG1-CB 3.57Å; V7-E11 HydrophobicContact CG1-CG 3.43Å; V7-E11 VanDerWaalsContact CG1-CG 3.43Å; S8-E11 CarbonylContact O-C 3.48Å; S8-E11 WeakPolarHBondContact O-CA 3.48Å; S8-E11 PolarHBondContact O-N 3.31Å; S8-E11 WeakPolarHBondContact OG-CB 3.47Å; S8-E11 PolarHBondContact OG-N 2.85Å; L9-E11 VanDerWaalsContact C-N 3.33Å; L9-E11 PolarHBondContact O-N 3.15Å; E11-R14 PolarHBondContact O-N 3.47Å; E11-R14 IonicContact OE1-NH2 2.68Å; E11-K15 HydrophobicContact CG-CD 4.14Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 2.95Å; E11-K15 VanDerWaalsContact O-N 3.15Å; E11-K15 WeakPolarHBondContact OE1-CE 3.33Å; E11-K15 IonicContact OE1-NZ 2.69Å; E11-K15 PolarHBondContact OE1-NZ 3.06Å
12F81.9Confident75.2Confident98 Ų98105.7 Ų105.743%0.4355%0.552SS.*Hα-helixtrans-57.2-54.9169.3172.1-91.8000110.1S8 L9 R14 K15 Y16S8-F12 PolarHBondContact O-N 2.8Å; L9-F12 WeakPolarHBondContact O-CB 3.2Å; L9-F12 PolarHBondContact O-N 3.22Å; F12-R14 VanDerWaalsContact C-N 3.34Å; F12-R14 PolarHBondContact O-N 3.06Å; F12-K15 CarbonylContact O-C 3.4Å; F12-K15 PolarHBondContact O-N 3.16Å; F12-K15 VanDerWaalsContact O-N 3.07Å; F12-Y16 AromaticContact CE1-CD2 3.82Å; F12-Y16 HydrophobicContact CE1-CD2 3.82Å; F12-Y16 HydrophobicContact CE1-CE2 4.26Å; F12-Y16 HydrophobicContact CE1-CG 4.18Å; F12-Y16 HydrophobicContact CE2-CD2 4.21Å; F12-Y16 AromaticContact CZ-CD2 3.52Å; F12-Y16 HydrophobicContact CZ-CD2 3.52Å; F12-Y16 AromaticContact CZ-CE2 3.76Å; F12-Y16 HydrophobicContact CZ-CE2 3.76Å; F12-Y16 HydrophobicContact CZ-CG 4.34Å; F12-Y16 WeakPolarHBondContact O-CB 3.42Å; F12-Y16 PolarHBondContact O-N 3.39Å
13W79.9Confident76.5Confident152 Ų152102.7 Ų102.758%0.57653%0.529SS*.Hα-helixtrans-62.7-38.3179.7-74.3115.9000112.9L9 K15 Y16L9-W13 PolarHBondContact O-N 3.37Å; W13-K15 PolarHBondContact O-N 3.13Å; W13-Y16 AromaticContact CE3-CD1 3.96Å; W13-Y16 HydrophobicContact CE3-CD1 3.96Å; W13-Y16 HydrophobicContact CE3-CG 4.27Å; W13-Y16 AromaticContact CZ3-CD1 3.69Å; W13-Y16 HydrophobicContact CZ3-CD1 3.69Å; W13-Y16 AromaticContact CZ3-CE1 3.98Å; W13-Y16 HydrophobicContact CZ3-CE1 3.98Å; W13-Y16 HydrophobicContact CZ3-CG 4.35Å; W13-Y16 PolarHBondContact O-N 3.28Å; W13-Y16 VanDerWaalsContact O-N 3.08Å
14R76.9Confident77.7Confident178 Ų178103.5 Ų103.567%0.67252%0.522SS*.Hα-helixtrans-60.5-30.5175.5-170.3175.171.5-121.85.4112.8L10 E11 F12L10-R14 WeakPolarHBondContact O-CB 3.47Å; L10-R14 PolarHBondContact O-N 3.4Å; E11-R14 PolarHBondContact O-N 3.47Å; E11-R14 IonicContact OE1-NH2 2.68Å; F12-R14 VanDerWaalsContact C-N 3.34Å; F12-R14 PolarHBondContact O-N 3.06Å
15K81.2Confident78.7Confident117 Ų11798 Ų9851%0.50950%0.503SS..Hα-helixtrans-96.6-4.6178.3-69.6172171.7168.90112.9E11 F12 W13 Y17E11-K15 HydrophobicContact CG-CD 4.14Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 2.95Å; E11-K15 VanDerWaalsContact O-N 3.15Å; E11-K15 WeakPolarHBondContact OE1-CE 3.33Å; E11-K15 IonicContact OE1-NZ 2.69Å; E11-K15 PolarHBondContact OE1-NZ 3.06Å; F12-K15 CarbonylContact O-C 3.4Å; F12-K15 PolarHBondContact O-N 3.16Å; F12-K15 VanDerWaalsContact O-N 3.07Å; W13-K15 PolarHBondContact O-N 3.13Å; K15-Y17 WeakPolarHBondContact O-CD2 3.5Å; K15-Y17 PolarHBondContact O-N 3.31Å
16Y79.6Confident79.3Confident55 Ų5599 Ų9922%0.21649%0.488CS..  trans-84.5103.8-175-165.3-106.3000110.4F12 W13 S20 A21 N24F12-Y16 AromaticContact CE1-CD2 3.82Å; F12-Y16 HydrophobicContact CE1-CD2 3.82Å; F12-Y16 HydrophobicContact CE1-CE2 4.26Å; F12-Y16 HydrophobicContact CE1-CG 4.18Å; F12-Y16 HydrophobicContact CE2-CD2 4.21Å; F12-Y16 AromaticContact CZ-CD2 3.52Å; F12-Y16 HydrophobicContact CZ-CD2 3.52Å; F12-Y16 AromaticContact CZ-CE2 3.76Å; F12-Y16 HydrophobicContact CZ-CE2 3.76Å; F12-Y16 HydrophobicContact CZ-CG 4.34Å; F12-Y16 WeakPolarHBondContact O-CB 3.42Å; F12-Y16 PolarHBondContact O-N 3.39Å; W13-Y16 AromaticContact CE3-CD1 3.96Å; W13-Y16 HydrophobicContact CE3-CD1 3.96Å; W13-Y16 HydrophobicContact CE3-CG 4.27Å; W13-Y16 AromaticContact CZ3-CD1 3.69Å; W13-Y16 HydrophobicContact CZ3-CD1 3.69Å; W13-Y16 AromaticContact CZ3-CE1 3.98Å; W13-Y16 HydrophobicContact CZ3-CE1 3.98Å; W13-Y16 HydrophobicContact CZ3-CG 4.35Å; W13-Y16 PolarHBondContact O-N 3.28Å; W13-Y16 VanDerWaalsContact O-N 3.08Å; Y16-S20 PolarHBondContact OH-O 2.91Å; Y16-A21 HydrophobicContact CD1-CB 4.27Å; Y16-A21 VanDerWaalsContact CE1-CA 3.5Å; Y16-A21 HydrophobicContact CE1-CB 3.49Å; Y16-A21 VanDerWaalsContact CE1-CB 3.49Å; Y16-A21 WeakPolarHBondContact OH-CA 3.4Å; Y16-N24 PolarHBondContact OH-ND2 3.39Å
17Y82.1Confident79.8Confident178 Ų178102 Ų10270%0.69849%0.485SS*.  trans-71.7145-180-65-79.3000111.4K15 R19 S20 A21K15-Y17 WeakPolarHBondContact O-CD2 3.5Å; K15-Y17 PolarHBondContact O-N 3.31Å; Y17-R19 PolarHBondContact O-N 2.68Å; Y17-R19 VanDerWaalsContact O-N 3.12Å; Y17-S20 WeakPolarHBondContact O-CA 3.27Å; Y17-S20 VanDerWaalsContact O-CB 3.28Å; Y17-S20 WeakPolarHBondContact O-CB 3.21Å; Y17-S20 PolarHBondContact O-N 2.93Å; Y17-A21 PolarHBondContact O-N 3.47Å; Y17-A21 VanDerWaalsContact O-N 3.11Å
18V79Confident79.8Confident114 Ų114100.6 Ų100.669%0.69148%0.481SS*.Hα-helixtrans-53.3-35.6174.5175.10000111.6S20 A21 I22V18-S20 PolarHBondContact O-N 3.46Å; V18-A21 VanDerWaalsContact O-CB 3.26Å; V18-A21 WeakPolarHBondContact O-CB 3.37Å; V18-A21 PolarHBondContact O-N 2.87Å; V18-A21 VanDerWaalsContact O-N 3.16Å; V18-I22 HydrophobicContact CG1-CD1 4.05Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 PolarHBondContact O-N 3.25Å
19R77.9Confident79.6Confident177 Ų177103.3 Ų103.367%0.66848%0.482SS*.Hα-helixtrans-58.9-45.4173.5-177.4177.9174.9-130.1-8.3112.2Y17 A21 I22 E23Y17-R19 PolarHBondContact O-N 2.68Å; Y17-R19 VanDerWaalsContact O-N 3.12Å; R19-A21 VanDerWaalsContact C-N 3.26Å; R19-A21 PolarHBondContact O-N 2.92Å; R19-I22 PolarHBondContact O-N 3.3Å; R19-E23 HydrophobicContact CG-CG 4.49Å; R19-E23 IonicContact CZ-OE1 2.92Å; R19-E23 IonicContact NE-OE1 3.69Å; R19-E23 PolarHBondContact NE-OE1 3.08Å; R19-E23 IonicContact NH2-OE1 3.01Å; R19-E23 PolarHBondContact NH2-OE1 2.94Å; R19-E23 WeakPolarHBondContact O-CG 3.28Å; R19-E23 PolarHBondContact O-N 3.16Å
20S81.2Confident79.9Confident39 Ų39103.5 Ų103.527%0.27348%0.479SS..Hα-helixtrans-62.2-36.3175.9-56.40000111.5Y16 Y17 V18 N24Y16-S20 PolarHBondContact OH-O 2.91Å; Y17-S20 WeakPolarHBondContact O-CA 3.27Å; Y17-S20 VanDerWaalsContact O-CB 3.28Å; Y17-S20 WeakPolarHBondContact O-CB 3.21Å; Y17-S20 PolarHBondContact O-N 2.93Å; V18-S20 PolarHBondContact O-N 3.46Å; S20-N24 VanDerWaalsContact O-CB 3.28Å; S20-N24 WeakPolarHBondContact O-CB 3.4Å; S20-N24 PolarHBondContact O-N 3.39Å
21A77.2Confident80.3Confident34 Ų34103.5 Ų103.528%0.28148%0.476SS..Hα-helixtrans-59.7-51.6173.300000111.6Y16 Y17 V18 R19 E23 N24 V25Y16-A21 HydrophobicContact CD1-CB 4.27Å; Y16-A21 VanDerWaalsContact CE1-CA 3.5Å; Y16-A21 HydrophobicContact CE1-CB 3.49Å; Y16-A21 VanDerWaalsContact CE1-CB 3.49Å; Y16-A21 WeakPolarHBondContact OH-CA 3.4Å; Y17-A21 PolarHBondContact O-N 3.47Å; Y17-A21 VanDerWaalsContact O-N 3.11Å; V18-A21 VanDerWaalsContact O-CB 3.26Å; V18-A21 WeakPolarHBondContact O-CB 3.37Å; V18-A21 PolarHBondContact O-N 2.87Å; V18-A21 VanDerWaalsContact O-N 3.16Å; R19-A21 VanDerWaalsContact C-N 3.26Å; R19-A21 PolarHBondContact O-N 2.92Å; A21-E23 PolarHBondContact O-N 3.12Å; A21-N24 PolarHBondContact O-N 3.24Å; A21-V25 WeakPolarHBondContact O-CG2 3.28Å; A21-V25 PolarHBondContact O-N 2.96Å
22I72.6Confident80.3Confident76 Ų76103.5 Ų103.539%0.3948%0.48SS..Hα-helixtrans-61.1-45.4179.7-65.1166.2000110.7V18 R19 N24 V25 H26V18-I22 HydrophobicContact CG1-CD1 4.05Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 PolarHBondContact O-N 3.25Å; R19-I22 PolarHBondContact O-N 3.3Å; I22-N24 VanDerWaalsContact C-N 3.34Å; I22-N24 PolarHBondContact O-N 3.41Å; I22-V25 PolarHBondContact O-N 3.11Å; I22-H26 WeakPolarHBondContact O-CB 3.36Å; I22-H26 PolarHBondContact O-N 3.45Å
23E83.1Confident80.3Confident76 Ų76102 Ų10236%0.35548%0.48SS..Hα-helixtrans-64.1-38.2178.8-73.5176.1174.400112.2R19 A21 H26 R27R19-E23 HydrophobicContact CG-CG 4.49Å; R19-E23 IonicContact CZ-OE1 2.92Å; R19-E23 IonicContact NE-OE1 3.69Å; R19-E23 PolarHBondContact NE-OE1 3.08Å; R19-E23 IonicContact NH2-OE1 3.01Å; R19-E23 PolarHBondContact NH2-OE1 2.94Å; R19-E23 WeakPolarHBondContact O-CG 3.28Å; R19-E23 PolarHBondContact O-N 3.16Å; A21-E23 PolarHBondContact O-N 3.12Å; E23-H26 PolarHBondContact O-N 2.94Å; E23-R27 WeakPolarHBondContact O-CB 3.36Å; E23-R27 PolarHBondContact O-N 2.89Å
24N83.3Confident80.2Confident64 Ų6497.1 Ų97.134%0.34248%0.476SS..Hα-helixtrans-69.7-41176.6-79.9-8.1000112.3Y16 S20 A21 I22 H26 R27 A28Y16-N24 PolarHBondContact OH-ND2 3.39Å; S20-N24 VanDerWaalsContact O-CB 3.28Å; S20-N24 WeakPolarHBondContact O-CB 3.4Å; S20-N24 PolarHBondContact O-N 3.39Å; A21-N24 PolarHBondContact O-N 3.24Å; I22-N24 VanDerWaalsContact C-N 3.34Å; I22-N24 PolarHBondContact O-N 3.41Å; N24-H26 VanDerWaalsContact C-N 3.34Å; N24-R27 PolarHBondContact O-N 3.48Å; N24-R27 PolarHBondContact OD1-NH2 3.46Å; N24-A28 WeakPolarHBondContact O-CB 3.39Å; N24-A28 PolarHBondContact O-N 3.07Å
25V78.1Confident80.3Confident97 Ų9793 Ų9359%0.58847%0.467SS*.Hα-helixtrans-62-45.1172.9171.80000110.4A21 I22 R27 A28 W29A21-V25 WeakPolarHBondContact O-CG2 3.28Å; A21-V25 PolarHBondContact O-N 2.96Å; I22-V25 PolarHBondContact O-N 3.11Å; V25-R27 PolarHBondContact O-N 3.41Å; V25-A28 PolarHBondContact O-N 2.86Å; V25-W29 VanDerWaalsContact O-CB 3.29Å; V25-W29 WeakPolarHBondContact O-CB 3.37Å; V25-W29 PolarHBondContact O-N 2.92Å
26H79.5Confident80.3Confident89 Ų8996 Ų9641%0.41248%0.475SS..Hα-helixtrans-60.8-46.2178178.862.9000111.9I22 E23 N24 W29 Q30I22-H26 WeakPolarHBondContact O-CB 3.36Å; I22-H26 PolarHBondContact O-N 3.45Å; E23-H26 PolarHBondContact O-N 2.94Å; N24-H26 VanDerWaalsContact C-N 3.34Å; H26-W29 WeakPolarHBondContact O-CB 3.37Å; H26-W29 PolarHBondContact O-N 3.21Å; H26-Q30 PolarHBondContact CE1-NE2 3.27Å; H26-Q30 WeakPolarHBondContact O-CG 3.29Å; H26-Q30 PolarHBondContact O-N 3.44Å
27R82.4Confident80.2Confident135 Ų13594.8 Ų94.851%0.50947%0.473SS..Hα-helixtrans-60.9-49.3177.2-167.8-164-30.4-110.6-2.2111.6E23 N24 V25 W29 Q30 E31E23-R27 WeakPolarHBondContact O-CB 3.36Å; E23-R27 PolarHBondContact O-N 2.89Å; N24-R27 PolarHBondContact O-N 3.48Å; N24-R27 PolarHBondContact OD1-NH2 3.46Å; V25-R27 PolarHBondContact O-N 3.41Å; R27-W29 PolarHBondContact O-N 3.22Å; R27-Q30 WeakPolarHBondContact O-CB 3.42Å; R27-Q30 PolarHBondContact O-N 3Å; R27-E31 PolarHBondContact O-N 3.02Å; R27-E31 VanDerWaalsContact O-N 3.16Å
28A81.4Confident80Confident49 Ų4993.2 Ų93.241%0.40547%0.465SS..Hα-helixtrans-56.9-42.5175.800000110.6N24 V25 Q30 E31 V32N24-A28 WeakPolarHBondContact O-CB 3.39Å; N24-A28 PolarHBondContact O-N 3.07Å; V25-A28 PolarHBondContact O-N 2.86Å; A28-Q30 VanDerWaalsContact C-N 3.32Å; A28-Q30 PolarHBondContact O-N 3.38Å; A28-E31 PolarHBondContact O-N 3.49Å; A28-V32 WeakPolarHBondContact O-CG2 3.32Å; A28-V32 PolarHBondContact O-N 3.46Å; A28-V32 VanDerWaalsContact O-N 3.13Å
29W80.3Confident79.8Confident118 Ų11891.6 Ų91.645%0.44746%0.459SS..Hα-helixtrans-62.1-35177-164.9-80.3000113.5V25 H26 R27 E31 V32 L37 W41V25-W29 VanDerWaalsContact O-CB 3.29Å; V25-W29 WeakPolarHBondContact O-CB 3.37Å; V25-W29 PolarHBondContact O-N 2.92Å; H26-W29 WeakPolarHBondContact O-CB 3.37Å; H26-W29 PolarHBondContact O-N 3.21Å; R27-W29 PolarHBondContact O-N 3.22Å; W29-E31 VanDerWaalsContact C-N 3.29Å; W29-V32 PolarHBondContact O-N 2.9Å; W29-L37 HydrophobicContact CD2-CD2 3.79Å; W29-L37 HydrophobicContact CE3-CD2 4.03Å; W29-L37 HydrophobicContact CH2-CD2 3.52Å; W29-L37 HydrophobicContact CZ2-CD2 3.24Å; W29-L37 HydrophobicContact CZ3-CD2 3.9Å; W29-W41 HydrophobicContact CH2-CZ2 4.22Å; W29-W41 AromaticContact CH2-NE1 3.67Å; W29-W41 AromaticContact CZ2-NE1 3.7Å
30Q83.7Confident79.8Confident129 Ų12985.4 Ų85.460%0.60345%0.446SS*.Hα-helixtrans-70.7-26.2174.3-64.6-52.6-62.900112.7H26 R27 A28H26-Q30 PolarHBondContact CE1-NE2 3.27Å; H26-Q30 WeakPolarHBondContact O-CG 3.29Å; H26-Q30 PolarHBondContact O-N 3.44Å; R27-Q30 WeakPolarHBondContact O-CB 3.42Å; R27-Q30 PolarHBondContact O-N 3Å; A28-Q30 VanDerWaalsContact C-N 3.32Å; A28-Q30 PolarHBondContact O-N 3.38Å
31E84.9Confident79.6Confident143 Ų14389.9 Ų89.967%0.66846%0.457SS*.Hα-helixtrans-83.3-18.9178.2-68.4174.1-165.200112.5R27 A28 W29 P33R27-E31 PolarHBondContact O-N 3.02Å; R27-E31 VanDerWaalsContact O-N 3.16Å; A28-E31 PolarHBondContact O-N 3.49Å; W29-E31 VanDerWaalsContact C-N 3.29Å; E31-P33 VanDerWaalsContact O-CD 3.27Å; E31-P33 WeakPolarHBondContact O-CD 3.43Å
32V80.4Confident79.4Confident56 Ų5690.5 Ų90.534%0.33946%0.459SS..SBendtrans-74121176.2-1740000110A28 W29 R36 L37A28-V32 WeakPolarHBondContact O-CG2 3.32Å; A28-V32 PolarHBondContact O-N 3.46Å; A28-V32 VanDerWaalsContact O-N 3.13Å; W29-V32 PolarHBondContact O-N 2.9Å; V32-R36 HydrophobicContact CG1-CB 3.65Å; V32-L37 HydrophobicContact CB-CD1 4.21Å; V32-L37 HydrophobicContact CB-CG 4.02Å; V32-L37 HydrophobicContact CG1-CD1 4.37Å; V32-L37 HydrophobicContact CG1-CD2 4.46Å; V32-L37 HydrophobicContact CG1-CG 3.74Å
33P80.9Confident79.5Confident67 Ų6788.8 Ų88.844%0.43545%0.454SS..  trans-58.2143.4174.4-26.737.6000112.2E31 N35 R36 L37E31-P33 VanDerWaalsContact O-CD 3.27Å; E31-P33 WeakPolarHBondContact O-CD 3.43Å; P33-N35 WeakPolarHBondContact CB-OD1 3.45Å; P33-N35 PolarHBondContact O-N 3.12Å; P33-N35 VanDerWaalsContact O-N 3.12Å; P33-R36 PolarHBondContact O-N 2.99Å; P33-L37 PolarHBondContact O-N 2.97Å; P33-L37 VanDerWaalsContact O-N 3.15Å
34G77.9Confident79.1Confident48 Ų4889 Ų8950%0.49546%0.457SS..Hα-helixtrans-57.7-30.2-174.700000114.8R38G34-R38 WeakPolarHBondContact O-CB 3.45Å; G34-R38 PolarHBondContact O-N 2.85Å
35N80.4Confident78.4Confident91 Ų9190.3 Ų90.349%0.48746%0.464SS..Hα-helixtrans-66.5-41.3174.761.9-15.9000112.4P33 R38 S39P33-N35 WeakPolarHBondContact CB-OD1 3.45Å; P33-N35 PolarHBondContact O-N 3.12Å; P33-N35 VanDerWaalsContact O-N 3.12Å; N35-R38 PolarHBondContact O-N 2.99Å; N35-S39 PolarHBondContact O-N 3.15Å
36R80.1Confident78.1Confident181 Ų18193.9 Ų93.968%0.68347%0.466SS*.Hα-helixtrans-66.1-42.3175.6-67.4-165.3-179-162.1-2.1111.6V32 P33 R38 S39 A40V32-R36 HydrophobicContact CG1-CB 3.65Å; P33-R36 PolarHBondContact O-N 2.99Å; R36-R38 VanDerWaalsContact C-N 3.34Å; R36-R38 PolarHBondContact O-N 2.8Å; R36-S39 PolarHBondContact O-N 2.91Å; R36-A40 WeakPolarHBondContact O-CB 3.41Å; R36-A40 PolarHBondContact O-N 3.24Å
37L78.6Confident77.8Confident30 Ų3097 Ų9716%0.15748%0.475CS..Hα-helixtrans-59.3-45.1174.1-86.1165000111.8W29 V32 P33 A40 W41W29-L37 HydrophobicContact CD2-CD2 3.79Å; W29-L37 HydrophobicContact CE3-CD2 4.03Å; W29-L37 HydrophobicContact CH2-CD2 3.52Å; W29-L37 HydrophobicContact CZ2-CD2 3.24Å; W29-L37 HydrophobicContact CZ3-CD2 3.9Å; V32-L37 HydrophobicContact CB-CD1 4.21Å; V32-L37 HydrophobicContact CB-CG 4.02Å; V32-L37 HydrophobicContact CG1-CD1 4.37Å; V32-L37 HydrophobicContact CG1-CD2 4.46Å; V32-L37 HydrophobicContact CG1-CG 3.74Å; P33-L37 PolarHBondContact O-N 2.97Å; P33-L37 VanDerWaalsContact O-N 3.15Å; L37-A40 PolarHBondContact O-N 2.98Å; L37-W41 WeakPolarHBondContact O-CB 3.26Å; L37-W41 VanDerWaalsContact O-CD1 3.26Å; L37-W41 PolarHBondContact O-N 3.36Å
38R76.2Confident77Confident144 Ų14498.7 Ų98.754%0.54348%0.481SS..Hα-helixtrans-61.6-46177.1-168.2-179.4-62.11300.4111.4G34 N35 R36 W41 S42G34-R38 WeakPolarHBondContact O-CB 3.45Å; G34-R38 PolarHBondContact O-N 2.85Å; N35-R38 PolarHBondContact O-N 2.99Å; R36-R38 VanDerWaalsContact C-N 3.34Å; R36-R38 PolarHBondContact O-N 2.8Å; R38-W41 PolarHBondContact O-N 3.5Å; R38-S42 WeakPolarHBondContact O-CB 3.47Å; R38-S42 PolarHBondContact O-N 2.85Å; R38-S42 PolarHBondContact O-OG 2.86Å; R38-S42 VanDerWaalsContact O-OG 3.11Å
39S76.7Confident76.1Confident80 Ų80101.9 Ų101.956%0.55949%0.489SS*.Hα-helixtrans-60.8-45.2176.8-176.50000112.3N35 R36 W41 S42 S43N35-S39 PolarHBondContact O-N 3.15Å; R36-S39 PolarHBondContact O-N 2.91Å; S39-W41 PolarHBondContact O-N 3.47Å; S39-S42 PolarHBondContact O-N 3.18Å; S39-S43 WeakPolarHBondContact O-CB 3.47Å; S39-S43 PolarHBondContact O-N 3.39Å
40A76.8Confident75.1Confident48 Ų4899.2 Ų99.240%0.39750%0.498SS..Hα-helixtrans-59.8-46.6175.700000111.5R36 L37 S43 I44R36-A40 WeakPolarHBondContact O-CB 3.41Å; R36-A40 PolarHBondContact O-N 3.24Å; L37-A40 PolarHBondContact O-N 2.98Å; A40-S43 WeakPolarHBondContact O-CB 3.42Å; A40-S43 PolarHBondContact O-N 3.07Å; A40-I44 VanDerWaalsContact O-CG1 3.3Å; A40-I44 WeakPolarHBondContact O-CG1 3.28Å; A40-I44 PolarHBondContact O-N 2.99Å
41W76.4Confident73.8Confident132 Ų13298.5 Ų98.550%0.550%0.495SS..Hα-helixtrans-62.1-45.2175.7-86.2116.1000112.7W29 L37 R38 S39 S43 I44 L45W29-W41 HydrophobicContact CH2-CZ2 4.22Å; W29-W41 AromaticContact CH2-NE1 3.67Å; W29-W41 AromaticContact CZ2-NE1 3.7Å; L37-W41 WeakPolarHBondContact O-CB 3.26Å; L37-W41 VanDerWaalsContact O-CD1 3.26Å; L37-W41 PolarHBondContact O-N 3.36Å; R38-W41 PolarHBondContact O-N 3.5Å; S39-W41 PolarHBondContact O-N 3.47Å; W41-S43 VanDerWaalsContact C-N 3.26Å; W41-S43 PolarHBondContact O-N 2.7Å; W41-I44 HydrophobicContact CZ3-CG2 4.49Å; W41-I44 PolarHBondContact O-N 3.41Å; W41-L45 VanDerWaalsContact O-CB 3.3Å; W41-L45 WeakPolarHBondContact O-CB 3.42Å; W41-L45 VanDerWaalsContact O-CG 3.28Å; W41-L45 WeakPolarHBondContact O-CG 3.36Å; W41-L45 PolarHBondContact O-N 3.27Å
42S73.5Confident72.2Confident47 Ų4795.9 Ų95.933%0.32948%0.482SS..Hα-helixtrans-59.7-37.6174.6-65.70000111.9R38 S39 R46R38-S42 WeakPolarHBondContact O-CB 3.47Å; R38-S42 PolarHBondContact O-N 2.85Å; R38-S42 PolarHBondContact O-OG 2.86Å; R38-S42 VanDerWaalsContact O-OG 3.11Å; S39-S42 PolarHBondContact O-N 3.18Å; S42-R46 WeakPolarHBondContact O-CB 3.44Å; S42-R46 PolarHBondContact O-N 3.35Å
43S75.5Confident70.6Confident41 Ų4199.4 Ų99.429%0.28751%0.506SS..Hα-helixtrans-67.2-47.6175.5-167.70000112.2S39 A40 W41 R46 R47S39-S43 WeakPolarHBondContact O-CB 3.47Å; S39-S43 PolarHBondContact O-N 3.39Å; A40-S43 WeakPolarHBondContact O-CB 3.42Å; A40-S43 PolarHBondContact O-N 3.07Å; W41-S43 VanDerWaalsContact C-N 3.26Å; W41-S43 PolarHBondContact O-N 2.7Å; S43-R46 PolarHBondContact O-N 3.37Å; S43-R47 WeakPolarHBondContact O-CB 3.38Å; S43-R47 PolarHBondContact O-N 2.96Å
44I75Confident69.4Low81 Ų8199 Ų9942%0.41552%0.515SS..Hα-helixtrans-60.2-48.2177-68.9164.6000110.5A40 W41 R47 R48A40-I44 VanDerWaalsContact O-CG1 3.3Å; A40-I44 WeakPolarHBondContact O-CG1 3.28Å; A40-I44 PolarHBondContact O-N 2.99Å; W41-I44 HydrophobicContact CZ3-CG2 4.49Å; W41-I44 PolarHBondContact O-N 3.41Å; I44-R47 PolarHBondContact O-N 3.39Å; I44-R48 WeakPolarHBondContact O-CB 3.31Å; I44-R48 WeakPolarHBondContact O-CG 3.2Å; I44-R48 PolarHBondContact O-N 3.11Å
45L68.3Low68.2Low91 Ų9198.1 Ų98.148%0.47650%0.5SS..Hα-helixtrans-62.2-45.1179.2-75.5173.6000111.5W41 R48 M49W41-L45 VanDerWaalsContact O-CB 3.3Å; W41-L45 WeakPolarHBondContact O-CB 3.42Å; W41-L45 VanDerWaalsContact O-CG 3.28Å; W41-L45 WeakPolarHBondContact O-CG 3.36Å; W41-L45 PolarHBondContact O-N 3.27Å; L45-R48 PolarHBondContact O-N 2.9Å; L45-M49 HydrophobicContact CB-CE 4.02Å; L45-M49 WeakPolarHBondContact O-CB 3.3Å; L45-M49 WeakPolarHBondContact O-CG 3.3Å; L45-M49 PolarHBondContact O-N 3.33Å
46R70.9Confident67Low171 Ų171102.2 Ų102.265%0.64551%0.514SS*.Hα-helixtrans-64-40.3176.6176.317140.8131.90.2112.2S42 S43 M49 G50S42-R46 WeakPolarHBondContact O-CB 3.44Å; S42-R46 PolarHBondContact O-N 3.35Å; S43-R46 PolarHBondContact O-N 3.37Å; R46-M49 PolarHBondContact O-N 2.84Å; R46-G50 WeakPolarHBondContact O-CA 3.45Å; R46-G50 PolarHBondContact O-N 3.3Å
47R73.9Confident66.2Low156 Ų15696.7 Ų96.759%0.58951%0.507SS*.Hα-helixtrans-62.2-47175.2-173.4179.4-64.6158.4-2.3110.4S43 I44 G50 E51S43-R47 WeakPolarHBondContact O-CB 3.38Å; S43-R47 PolarHBondContact O-N 2.96Å; I44-R47 PolarHBondContact O-N 3.39Å; R47-G50 PolarHBondContact O-N 2.87Å; R47-E51 HydrophobicContact CG-CG 4.39Å; R47-E51 WeakPolarHBondContact CG-OE1 3.43Å; R47-E51 VanDerWaalsContact O-CB 3.25Å; R47-E51 WeakPolarHBondContact O-CB 3.12Å; R47-E51 WeakPolarHBondContact O-CG 3.39Å; R47-E51 PolarHBondContact O-N 3.36Å
48R66.1Low65.5Low169 Ų169101.6 Ų101.664%0.63853%0.528SS*.Hα-helixtrans-65.3-40.2177.8-71.7-66.2-167.1-136.25113.6I44 L45 E51 Q52I44-R48 WeakPolarHBondContact O-CB 3.31Å; I44-R48 WeakPolarHBondContact O-CG 3.2Å; I44-R48 PolarHBondContact O-N 3.11Å; L45-R48 PolarHBondContact O-N 2.9Å; R48-E51 IonicContact NH1-OE2 3.54Å; R48-Q52 PolarHBondContact O-N 3.48Å
49M61.1Low65.1Low117 Ų11797.9 Ų97.958%0.57652%0.515SS*.Hα-helixtrans-72.3-38.2176.8-76-169.2-84.200112.1L45 R46 Q52L45-M49 HydrophobicContact CB-CE 4.02Å; L45-M49 WeakPolarHBondContact O-CB 3.3Å; L45-M49 WeakPolarHBondContact O-CG 3.3Å; L45-M49 PolarHBondContact O-N 3.33Å; R46-M49 PolarHBondContact O-N 2.84Å; M49-Q52 CarbonylContact O-C 3.58Å; M49-Q52 PolarHBondContact O-N 2.92Å
50G60.4Low64.9Low61 Ų6197.2 Ų97.263%0.62951%0.511SS*.Hα-helixtrans-69.9-33.3176.500000113.2R46 R47 Q52R46-G50 WeakPolarHBondContact O-CA 3.45Å; R46-G50 PolarHBondContact O-N 3.3Å; R47-G50 PolarHBondContact O-N 2.87Å; G50-Q52 VanDerWaalsContact C-N 3.3Å; G50-Q52 PolarHBondContact O-N 3.27Å
51E57.1Low65Low115 Ų11598.6 Ų98.654%0.53751%0.514SS..Hα-helixtrans-73.3-18.9176.7-77.4169.5-179.500113.2R47 R48R47-E51 HydrophobicContact CG-CG 4.39Å; R47-E51 WeakPolarHBondContact CG-OE1 3.43Å; R47-E51 VanDerWaalsContact O-CB 3.25Å; R47-E51 WeakPolarHBondContact O-CB 3.12Å; R47-E51 WeakPolarHBondContact O-CG 3.39Å; R47-E51 PolarHBondContact O-N 3.36Å; R48-E51 IonicContact NH1-OE2 3.54Å
52Q50.1Low65Low88 Ų8894.1 Ų94.141%0.41151%0.505SS..  trans-123.786.4173.8-85-16314.300112.1R48 M49 G50 G54 S55R48-Q52 PolarHBondContact O-N 3.48Å; M49-Q52 CarbonylContact O-C 3.58Å; M49-Q52 PolarHBondContact O-N 2.92Å; G50-Q52 VanDerWaalsContact C-N 3.3Å; G50-Q52 PolarHBondContact O-N 3.27Å; Q52-G54 PolarHBondContact O-N 3.48Å; Q52-S55 PolarHBondContact O-N 3.09Å; Q52-S55 VanDerWaalsContact O-N 3.17Å; Q52-S55 PolarHBondContact OE1-OG 3.25Å
53P47.6Very low65.3Low130 Ų13092 Ų9284%0.84449%0.491SS*.THydrogen-bonded Turntrans-65.385.6158.627.6-29.7000108.3
54G54.1Low65.7Low59 Ų5995.9 Ų95.961%0.60850%0.502SS*.THydrogen-bonded Turntrans147.8-7.1-173.700000115.4Q52 F56Q52-G54 PolarHBondContact O-N 3.48Å; G54-F56 PolarHBondContact O-N 2.96Å
55S54Low66.2Low28 Ų2896.5 Ų96.520%0.19650%0.504CS..THydrogen-bonded Turntrans-69.316.1-176.6-175.20000116.1Q52 A57 F58 F59Q52-S55 PolarHBondContact O-N 3.09Å; Q52-S55 VanDerWaalsContact O-N 3.17Å; Q52-S55 PolarHBondContact OE1-OG 3.25Å; S55-A57 PolarHBondContact O-N 3.32Å; S55-A57 VanDerWaalsContact O-N 3.13Å; S55-F58 PolarHBondContact O-N 3.29Å; S55-F58 VanDerWaalsContact O-N 3.08Å; S55-F58 WeakPolarHBondContact OG-CB 3.1Å; S55-F59 PolarHBondContact O-N 2.99Å; S55-F59 VanDerWaalsContact O-N 3.11Å
56F55.1Low66.7Low177 Ų17796.4 Ų96.478%0.77650%0.501SS*.Hα-helixtrans-56.1-30.2172.3-87.8-83.9000111.4G54 F59 S60G54-F56 PolarHBondContact O-N 2.96Å; F56-F59 PolarHBondContact O-N 3.09Å; F56-S60 PolarHBondContact O-N 3.31Å
57A62.2Low67.3Low65 Ų6588.7 Ų88.754%0.53747%0.474SS..Hα-helixtrans-59.8-50.2173.700000112.2S55 F59 S60 V61S55-A57 PolarHBondContact O-N 3.32Å; S55-A57 VanDerWaalsContact O-N 3.13Å; A57-F59 VanDerWaalsContact C-N 3.31Å; A57-F59 PolarHBondContact O-N 3.24Å; A57-S60 PolarHBondContact O-N 2.85Å; A57-S60 PolarHBondContact O-OG 2.89Å; A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 3.36Å; A57-V61 VanDerWaalsContact O-N 3.13Å
58F64.4Low67.9Low134 Ų13485.9 Ų85.959%0.58847%0.468SS*.Hα-helixtrans-66-34.6178.4-80.8-83.4000112.5S55 V61 A62S55-F58 PolarHBondContact O-N 3.29Å; S55-F58 VanDerWaalsContact O-N 3.08Å; S55-F58 WeakPolarHBondContact OG-CB 3.1Å; F58-V61 PolarHBondContact O-N 3.29Å; F58-A62 WeakPolarHBondContact O-CB 3.2Å; F58-A62 PolarHBondContact O-N 3.23Å
59F68.4Low68.7Low65 Ų6581.4 Ų81.429%0.28546%0.456SS..Hα-helixtrans-62.5-48.8177.1-173.2-98.3000111S55 F56 A57 V61 A62 V63 E85 L88S55-F59 PolarHBondContact O-N 2.99Å; S55-F59 VanDerWaalsContact O-N 3.11Å; F56-F59 PolarHBondContact O-N 3.09Å; A57-F59 VanDerWaalsContact C-N 3.31Å; A57-F59 PolarHBondContact O-N 3.24Å; F59-V61 VanDerWaalsContact C-N 3.3Å; F59-V61 PolarHBondContact O-N 3.47Å; F59-A62 PolarHBondContact O-N 3.45Å; F59-V63 HydrophobicContact CD1-CG2 3.92Å; F59-V63 HydrophobicContact CE1-CG2 3.59Å; F59-V63 HydrophobicContact CE2-CG2 4.31Å; F59-V63 HydrophobicContact CG-CG2 4.41Å; F59-V63 HydrophobicContact CZ-CG2 3.82Å; F59-V63 WeakPolarHBondContact O-CB 3.49Å; F59-V63 VanDerWaalsContact O-CG2 3.28Å; F59-V63 WeakPolarHBondContact O-CG2 3.4Å; F59-V63 PolarHBondContact O-N 2.94Å; F59-E85 HydrophobicContact CE1-CG 4.32Å; F59-L88 HydrophobicContact CE2-CD1 3.77Å; F59-L88 HydrophobicContact CZ-CB 3.85Å; F59-L88 HydrophobicContact CZ-CD1 3.47Å; F59-L88 VanDerWaalsContact CZ-CD1 3.47Å; F59-L88 HydrophobicContact CZ-CG 4.3Å
60S73.1Confident69.6Low67 Ų6776 Ų7647%0.46943%0.43SS..Hα-helixtrans-61.6-37.617869.60000112.8F56 A57 K64F56-S60 PolarHBondContact O-N 3.31Å; A57-S60 PolarHBondContact O-N 2.85Å; A57-S60 PolarHBondContact O-OG 2.89Å; S60-K64 WeakPolarHBondContact O-CB 3.34Å; S60-K64 PolarHBondContact O-N 3.38Å
61V77.9Confident70.7Confident76 Ų7675.8 Ų75.846%0.46142%0.417SS..Hα-helixtrans-65.6-48175.21730000110.6A57 F58 F59 V63 K64 E65A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 3.36Å; A57-V61 VanDerWaalsContact O-N 3.13Å; F58-V61 PolarHBondContact O-N 3.29Å; F59-V61 VanDerWaalsContact C-N 3.3Å; F59-V61 PolarHBondContact O-N 3.47Å; V61-V63 PolarHBondContact O-N 2.89Å; V61-K64 PolarHBondContact O-N 2.97Å; V61-E65 WeakPolarHBondContact O-CG 3.35Å; V61-E65 PolarHBondContact O-N 3.03Å
62A77.1Confident72.2Confident38 Ų3877.5 Ų77.531%0.31443%0.425SS..Hα-helixtrans-62.8-42.6179.400000111.8F58 F59 K64 E65 M66F58-A62 WeakPolarHBondContact O-CB 3.2Å; F58-A62 PolarHBondContact O-N 3.23Å; F59-A62 PolarHBondContact O-N 3.45Å; A62-K64 VanDerWaalsContact C-N 3.33Å; A62-K64 PolarHBondContact O-N 2.91Å; A62-E65 PolarHBondContact O-N 2.91Å; A62-M66 HydrophobicContact CB-CE 4.2Å; A62-M66 WeakPolarHBondContact O-CB 3.39Å; A62-M66 WeakPolarHBondContact O-CE 3.42Å; A62-M66 VanDerWaalsContact O-CG 3.27Å; A62-M66 WeakPolarHBondContact O-CG 3.35Å; A62-M66 PolarHBondContact O-N 3.47Å
63V79.8Confident73.7Confident4 Ų478.5 Ų78.52%0.02443%0.428CS..Hα-helixtrans-59.6-44.6175.8168.60000111.2F59 V61 M66 A67 A81 I84 E85 L88F59-V63 HydrophobicContact CD1-CG2 3.92Å; F59-V63 HydrophobicContact CE1-CG2 3.59Å; F59-V63 HydrophobicContact CE2-CG2 4.31Å; F59-V63 HydrophobicContact CG-CG2 4.41Å; F59-V63 HydrophobicContact CZ-CG2 3.82Å; F59-V63 WeakPolarHBondContact O-CB 3.49Å; F59-V63 VanDerWaalsContact O-CG2 3.28Å; F59-V63 WeakPolarHBondContact O-CG2 3.4Å; F59-V63 PolarHBondContact O-N 2.94Å; V61-V63 PolarHBondContact O-N 2.89Å; V63-M66 HydrophobicContact CG2-CE 4.2Å; V63-M66 PolarHBondContact O-N 2.86Å; V63-A67 PolarHBondContact O-N 3.36Å; V63-A81 HydrophobicContact CG1-CB 3.88Å; V63-A81 WeakPolarHBondContact CG1-O 3.27Å; V63-I84 HydrophobicContact CB-CG2 4.49Å; V63-I84 HydrophobicContact CG1-CB 3.99Å; V63-I84 HydrophobicContact CG1-CG2 3.97Å; V63-I84 HydrophobicContact CG2-CG2 4.18Å; V63-E85 HydrophobicContact CG1-CB 4.34Å; V63-L88 HydrophobicContact CG2-CD1 4Å
64K84Confident75.2Confident122 Ų12276.9 Ų76.953%0.5341%0.412SS..Hα-helixtrans-63.3-45.5176.3-173.9179174.8-173.70112.1S60 V61 A62 M66 A67 E68S60-K64 WeakPolarHBondContact O-CB 3.34Å; S60-K64 PolarHBondContact O-N 3.38Å; V61-K64 PolarHBondContact O-N 2.97Å; A62-K64 VanDerWaalsContact C-N 3.33Å; A62-K64 PolarHBondContact O-N 2.91Å; K64-M66 VanDerWaalsContact C-N 3.31Å; K64-M66 PolarHBondContact O-N 2.99Å; K64-A67 PolarHBondContact O-N 3.22Å; K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.36Å; K64-E68 PolarHBondContact O-N 2.93Å
65E85.3Confident76.6Confident94 Ų9476.9 Ų76.944%0.43941%0.411SS..Hα-helixtrans-62.7-38.1176.9-73.2-173.8169.800112.1V61 A62 E68 L69V61-E65 WeakPolarHBondContact O-CG 3.35Å; V61-E65 PolarHBondContact O-N 3.03Å; A62-E65 PolarHBondContact O-N 2.91Å; E65-E68 PolarHBondContact O-N 3.24Å; E65-L69 WeakPolarHBondContact O-CB 3.48Å; E65-L69 WeakPolarHBondContact O-CG 3.49Å; E65-L69 PolarHBondContact O-N 3.24Å
66M78.9Confident78Confident88 Ų8881.1 Ų81.143%0.43343%0.427SS..Hα-helixtrans-63.7-43.3175-74.8-174.4-82.100111.7A62 V63 K64 L69 G70 I84 L88A62-M66 HydrophobicContact CB-CE 4.2Å; A62-M66 WeakPolarHBondContact O-CB 3.39Å; A62-M66 WeakPolarHBondContact O-CE 3.42Å; A62-M66 VanDerWaalsContact O-CG 3.27Å; A62-M66 WeakPolarHBondContact O-CG 3.35Å; A62-M66 PolarHBondContact O-N 3.47Å; V63-M66 HydrophobicContact CG2-CE 4.2Å; V63-M66 PolarHBondContact O-N 2.86Å; K64-M66 VanDerWaalsContact C-N 3.31Å; K64-M66 PolarHBondContact O-N 2.99Å; M66-L69 PolarHBondContact O-N 3.05Å; M66-G70 PolarHBondContact O-N 2.86Å; M66-I84 HydrophobicContact CB-CD1 3.85Å; M66-I84 HydrophobicContact CE-CG2 4.44Å; M66-L88 HydrophobicContact CE-CD1 4.37Å
67A82.4Confident79.4Confident9 Ų977.4 Ų77.47%0.07442%0.422CS..Hα-helixtrans-62.4-47.2175.500000111.7V63 K64 L69 G70 T71 A81 I84V63-A67 PolarHBondContact O-N 3.36Å; K64-A67 PolarHBondContact O-N 3.22Å; A67-L69 PolarHBondContact O-N 3.18Å; A67-G70 PolarHBondContact O-N 2.97Å; A67-T71 WeakPolarHBondContact O-CB 3.12Å; A67-T71 PolarHBondContact O-N 3.3Å; A67-T71 PolarHBondContact O-OG1 2.9Å; A67-A81 HydrophobicContact CB-CB 4.36Å; A67-I84 HydrophobicContact CB-CD1 3.81Å
68E87.2Confident80.5Confident97 Ų9780.6 Ų80.645%0.45343%0.431SS..Hα-helixtrans-61.4-42.7177.5-73.3177.3-175.100111.7K64 E65 T71 E72K64-E68 WeakPolarHBondContact CE-OE1 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.36Å; K64-E68 PolarHBondContact O-N 2.93Å; E65-E68 PolarHBondContact O-N 3.24Å; E68-T71 WeakPolarHBondContact CA-OG1 3.08Å; E68-T71 PolarHBondContact O-OG1 3.01Å; E68-E72 WeakPolarHBondContact O-CB 3.14Å; E68-E72 PolarHBondContact O-N 2.74Å
69L82.9Confident81.4Confident75 Ų7576.8 Ų76.839%0.39342%0.416SS..Hα-helixtrans-66.1-42.9176.4-73.4170.8000111.9E65 M66 A67 K73 L74E65-L69 WeakPolarHBondContact O-CB 3.48Å; E65-L69 WeakPolarHBondContact O-CG 3.49Å; E65-L69 PolarHBondContact O-N 3.24Å; M66-L69 PolarHBondContact O-N 3.05Å; A67-L69 PolarHBondContact O-N 3.18Å; L69-K73 HydrophobicContact CD2-CD 3.72Å; L69-K73 HydrophobicContact CD2-CG 4.28Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 WeakPolarHBondContact O-CB 3.48Å; L69-K73 PolarHBondContact O-N 3.14Å; L69-L74 PolarHBondContact O-N 3.44Å
70G80.2Confident82.3Confident3 Ų377.2 Ų77.23%0.03142%0.421CS..Iπ-helixtrans-65.9-43.3179.500000112.7M66 A67 L74 G75 F76M66-G70 PolarHBondContact O-N 2.86Å; A67-G70 PolarHBondContact O-N 2.97Å; G70-L74 CarbonylContact O-C 3.51Å; G70-L74 WeakPolarHBondContact O-CA 3.47Å; G70-L74 WeakPolarHBondContact O-CB 3.17Å; G70-L74 PolarHBondContact O-N 3.27Å; G70-G75 PolarHBondContact O-N 3.19Å; G70-F76 PolarHBondContact O-N 3.33Å
71T83.7Confident82.9Confident57 Ų5775.9 Ų75.935%0.3541%0.414SS..Iπ-helixtrans-70.2-53.3177.646.90000112.2A67 E68 G75 F76 L79A67-T71 WeakPolarHBondContact O-CB 3.12Å; A67-T71 PolarHBondContact O-N 3.3Å; A67-T71 PolarHBondContact O-OG1 2.9Å; E68-T71 WeakPolarHBondContact CA-OG1 3.08Å; E68-T71 PolarHBondContact O-OG1 3.01Å; T71-G75 PolarHBondContact O-N 3.13Å; T71-F76 WeakPolarHBondContact CG2-O 3.22Å; T71-L79 HydrophobicContact CG2-CB 4.47Å; T71-L79 WeakPolarHBondContact CG2-O 3.41Å
72E87.2Confident83.3Confident151 Ų15175 Ų7571%0.70642%0.415SS*.Iπ-helixtrans-73.8-40.3-173.1-166.9-165.6177.700112.1E68E68-E72 WeakPolarHBondContact O-CB 3.14Å; E68-E72 PolarHBondContact O-N 2.74Å
73K81.5Confident83.5Confident110 Ų11076.8 Ų76.848%0.47842%0.419SS..Iπ-helixtrans-102.7-34.4-170.5-60.2-161.8162.3-138.60114.8L69L69-K73 HydrophobicContact CD2-CD 3.72Å; L69-K73 HydrophobicContact CD2-CG 4.28Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 WeakPolarHBondContact O-CB 3.48Å; L69-K73 PolarHBondContact O-N 3.14Å
74L79.1Confident83.4Confident96 Ų9677 Ų7750%0.50342%0.42SS..Iπ-helixtrans-102.1-10.7-175.9-56.1175.8000112.1L69 G70 F76L69-L74 PolarHBondContact O-N 3.44Å; G70-L74 CarbonylContact O-C 3.51Å; G70-L74 WeakPolarHBondContact O-CA 3.47Å; G70-L74 WeakPolarHBondContact O-CB 3.17Å; G70-L74 PolarHBondContact O-N 3.27Å; L74-F76 VanDerWaalsContact C-N 3.33Å; L74-F76 HydrophobicContact CB-CD2 3.44Å; L74-F76 VanDerWaalsContact CB-CD2 3.44Å; L74-F76 HydrophobicContact CB-CE2 3.37Å; L74-F76 HydrophobicContact CB-CG 4.43Å; L74-F76 HydrophobicContact CB-CZ 4.31Å; L74-F76 HydrophobicContact CD1-CD2 4.14Å; L74-F76 HydrophobicContact CD1-CE2 3.68Å; L74-F76 HydrophobicContact CG-CD2 4.42Å; L74-F76 HydrophobicContact CG-CE2 4.13Å
75G85.1Confident83.2Confident58 Ų5875.7 Ų75.760%0.59842%0.416SS*.  trans76.219177.300000113.8G70 T71 S77G70-G75 PolarHBondContact O-N 3.19Å; T71-G75 PolarHBondContact O-N 3.13Å; G75-S77 VanDerWaalsContact C-N 3.34Å; G75-S77 PolarHBondContact O-N 2.8Å
76F82.6Confident83Confident118 Ų11877.4 Ų77.452%0.51842%0.424SS..  trans-78.383.2174.1-60.9-60.6000109.7G70 T71 L74 D78 L79G70-F76 PolarHBondContact O-N 3.33Å; T71-F76 WeakPolarHBondContact CG2-O 3.22Å; L74-F76 VanDerWaalsContact C-N 3.33Å; L74-F76 HydrophobicContact CB-CD2 3.44Å; L74-F76 VanDerWaalsContact CB-CD2 3.44Å; L74-F76 HydrophobicContact CB-CE2 3.37Å; L74-F76 HydrophobicContact CB-CG 4.43Å; L74-F76 HydrophobicContact CB-CZ 4.31Å; L74-F76 HydrophobicContact CD1-CD2 4.14Å; L74-F76 HydrophobicContact CD1-CE2 3.68Å; L74-F76 HydrophobicContact CG-CD2 4.42Å; L74-F76 HydrophobicContact CG-CE2 4.13Å; F76-D78 PolarHBondContact O-N 3.33Å; F76-D78 VanDerWaalsContact O-N 3.14Å; F76-L79 HydrophobicContact CB-CB 3.73Å; F76-L79 HydrophobicContact CB-CD2 4.48Å; F76-L79 WeakPolarHBondContact O-CB 3.45Å; F76-L79 PolarHBondContact O-N 2.93Å; F76-L79 VanDerWaalsContact O-N 3.15Å
77S84.6Confident82.7Confident98 Ų9878.7 Ų78.769%0.68543%0.43SS*.THydrogen-bonded Turntrans-58-26.6-178.253.10000114G75 L79G75-S77 VanDerWaalsContact C-N 3.34Å; G75-S77 PolarHBondContact O-N 2.8Å; S77-L79 VanDerWaalsContact C-N 3.34Å
78D85.4Confident82.1Confident133 Ų13381.6 Ų81.671%0.71144%0.444SS*.THydrogen-bonded Turntrans-95.63-173.3-48.6-19.5000111.6F76 D80 N83F76-D78 PolarHBondContact O-N 3.33Å; F76-D78 VanDerWaalsContact O-N 3.14Å; D78-D80 PolarHBondContact O-N 3.36Å; D78-N83 PolarHBondContact O-ND2 3.15Å
79L82.7Confident81.3Confident53 Ų5381.3 Ų81.328%0.27745%0.449SS..  trans-90101.4179.4-165.779.3000109.9T71 F76 S77 I84T71-L79 HydrophobicContact CG2-CB 4.47Å; T71-L79 WeakPolarHBondContact CG2-O 3.41Å; F76-L79 HydrophobicContact CB-CB 3.73Å; F76-L79 HydrophobicContact CB-CD2 4.48Å; F76-L79 WeakPolarHBondContact O-CB 3.45Å; F76-L79 PolarHBondContact O-N 2.93Å; F76-L79 VanDerWaalsContact O-N 3.15Å; S77-L79 VanDerWaalsContact C-N 3.34Å; L79-I84 HydrophobicContact CD1-CD1 4.15Å; L79-I84 HydrophobicContact CD1-CG1 3.79Å; L79-I84 HydrophobicContact CD2-CD1 3.95Å; L79-I84 HydrophobicContact CD2-CG1 4.5Å; L79-I84 HydrophobicContact CG-CD1 3.88Å; L79-I84 HydrophobicContact CG-CG1 4.03Å
80D87.9Confident80.4Confident75 Ų7582 Ų8240%0.40146%0.46SS..  trans-111.2169.4169.868.342.6000111.7D78 A82 N83 I84D78-D80 PolarHBondContact O-N 3.36Å; D80-A82 PolarHBondContact O-N 2.99Å; D80-A82 WeakPolarHBondContact OD1-CA 3.27Å; D80-A82 WeakPolarHBondContact OD1-CB 3.43Å; D80-A82 PolarHBondContact OD1-N 2.79Å; D80-N83 PolarHBondContact O-N 3.13Å; D80-N83 PolarHBondContact OD1-N 3.5Å; D80-N83 PolarHBondContact OD1-OD1 2.64Å; D80-I84 WeakPolarHBondContact O-CG1 3.43Å; D80-I84 PolarHBondContact O-N 2.82Å
81A84.9Confident79Confident38 Ų3884.6 Ų84.631%0.31448%0.478SS..Hα-helixtrans-61.4-33.5-179.200000112.3V63 A67 I84 E85V63-A81 HydrophobicContact CG1-CB 3.88Å; V63-A81 WeakPolarHBondContact CG1-O 3.27Å; A67-A81 HydrophobicContact CB-CB 4.36Å; A81-I84 PolarHBondContact O-N 3.17Å; A81-E85 WeakPolarHBondContact O-CB 3.47Å; A81-E85 PolarHBondContact O-N 3.43Å
82A86.5Confident77.4Confident58 Ų5884 Ų8448%0.47948%0.483SS..Hα-helixtrans-70.8-41.4-179.100000111.1D80 I84 E85 E86D80-A82 PolarHBondContact O-N 2.99Å; D80-A82 WeakPolarHBondContact OD1-CA 3.27Å; D80-A82 WeakPolarHBondContact OD1-CB 3.43Å; D80-A82 PolarHBondContact OD1-N 2.79Å; A82-I84 VanDerWaalsContact C-N 3.32Å; A82-I84 PolarHBondContact O-N 2.73Å; A82-E85 PolarHBondContact O-N 2.88Å; A82-E86 WeakPolarHBondContact O-CB 3.23Å; A82-E86 PolarHBondContact O-N 2.88Å
83N81.8Confident75.8Confident76 Ų7682.6 Ų82.641%0.40648%0.48SS..Hα-helixtrans-62.9-39.7176.2-69.41.8000111.5D78 D80 M87D78-N83 PolarHBondContact O-ND2 3.15Å; D80-N83 PolarHBondContact O-N 3.13Å; D80-N83 PolarHBondContact OD1-N 3.5Å; D80-N83 PolarHBondContact OD1-OD1 2.64Å; N83-M87 VanDerWaalsContact O-CB 3.27Å; N83-M87 WeakPolarHBondContact O-CB 3.39Å; N83-M87 PolarHBondContact O-N 3.14Å
84I78.2Confident74.3Confident9 Ų979 Ų795%0.04648%0.475CS..Hα-helixtrans-68.5-45175.9-63.5172.8000110.5V63 M66 A67 L79 D80 A81 A82 M87 L88V63-I84 HydrophobicContact CB-CG2 4.49Å; V63-I84 HydrophobicContact CG1-CB 3.99Å; V63-I84 HydrophobicContact CG1-CG2 3.97Å; V63-I84 HydrophobicContact CG2-CG2 4.18Å; M66-I84 HydrophobicContact CB-CD1 3.85Å; M66-I84 HydrophobicContact CE-CG2 4.44Å; A67-I84 HydrophobicContact CB-CD1 3.81Å; L79-I84 HydrophobicContact CD1-CD1 4.15Å; L79-I84 HydrophobicContact CD1-CG1 3.79Å; L79-I84 HydrophobicContact CD2-CD1 3.95Å; L79-I84 HydrophobicContact CD2-CG1 4.5Å; L79-I84 HydrophobicContact CG-CD1 3.88Å; L79-I84 HydrophobicContact CG-CG1 4.03Å; D80-I84 WeakPolarHBondContact O-CG1 3.43Å; D80-I84 PolarHBondContact O-N 2.82Å; A81-I84 PolarHBondContact O-N 3.17Å; A82-I84 VanDerWaalsContact C-N 3.32Å; A82-I84 PolarHBondContact O-N 2.73Å; I84-M87 PolarHBondContact O-N 2.92Å; I84-L88 HydrophobicContact CG2-CD1 3.7Å; I84-L88 HydrophobicContact CG2-CG 4.25Å; I84-L88 WeakPolarHBondContact O-CB 3.28Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.33Å; I84-L88 PolarHBondContact O-N 3.46Å
85E79.5Confident73.1Confident94 Ų9480.4 Ų80.444%0.43948%0.483SS..Hα-helixtrans-62.5-44177.7-177.5168.3-150.500111.5F59 V63 A81 A82 L88 T89F59-E85 HydrophobicContact CE1-CG 4.32Å; V63-E85 HydrophobicContact CG1-CB 4.34Å; A81-E85 WeakPolarHBondContact O-CB 3.47Å; A81-E85 PolarHBondContact O-N 3.43Å; A82-E85 PolarHBondContact O-N 2.88Å; E85-L88 PolarHBondContact O-N 3.46Å; E85-T89 HydrophobicContact CG-CG2 4.46Å; E85-T89 WeakPolarHBondContact O-CB 3.09Å; E85-T89 VanDerWaalsContact O-CG2 3.29Å; E85-T89 WeakPolarHBondContact O-CG2 3.45Å; E85-T89 PolarHBondContact O-N 3.34Å; E85-T89 PolarHBondContact O-OG1 3.2Å
86E79.7Confident71.3Confident130 Ų13081.4 Ų81.461%0.60747%0.474SS*.Hα-helixtrans-59.6-48.3173.5-174.3179.2-178.800110.4A82 L88 T89 S90A82-E86 WeakPolarHBondContact O-CB 3.23Å; A82-E86 PolarHBondContact O-N 2.88Å; E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 2.94Å; E86-T89 WeakPolarHBondContact CA-OG1 3.18Å; E86-T89 PolarHBondContact O-N 3.46Å; E86-T89 PolarHBondContact O-OG1 3.38Å; E86-T89 VanDerWaalsContact O-OG1 3.12Å; E86-S90 WeakPolarHBondContact O-CA 3.29Å; E86-S90 WeakPolarHBondContact O-CB 3.37Å; E86-S90 PolarHBondContact O-N 2.71Å; E86-S90 PolarHBondContact O-OG 3.25Å
87M74.2Confident69.7Low114 Ų11481.1 Ų81.156%0.56248%0.477SS*.Hα-helixtrans-61.4-41.4178.7-177.5-176.165.400112.7N83 I84 S90 S91N83-M87 VanDerWaalsContact O-CB 3.27Å; N83-M87 WeakPolarHBondContact O-CB 3.39Å; N83-M87 PolarHBondContact O-N 3.14Å; I84-M87 PolarHBondContact O-N 2.92Å; M87-S90 PolarHBondContact O-OG 3.34Å; M87-S91 PolarHBondContact O-N 2.95Å; M87-S91 VanDerWaalsContact O-N 3.13Å
88L69.8Low68.1Low71 Ų7181.1 Ų81.137%0.37247%0.47SS..Hα-helixtrans-72.3-30.7-180-70.5172.8000112.4F59 V63 M66 I84 E85 E86F59-L88 HydrophobicContact CE2-CD1 3.77Å; F59-L88 HydrophobicContact CZ-CB 3.85Å; F59-L88 HydrophobicContact CZ-CD1 3.47Å; F59-L88 VanDerWaalsContact CZ-CD1 3.47Å; F59-L88 HydrophobicContact CZ-CG 4.3Å; V63-L88 HydrophobicContact CG2-CD1 4Å; M66-L88 HydrophobicContact CE-CD1 4.37Å; I84-L88 HydrophobicContact CG2-CD1 3.7Å; I84-L88 HydrophobicContact CG2-CG 4.25Å; I84-L88 WeakPolarHBondContact O-CB 3.28Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.33Å; I84-L88 PolarHBondContact O-N 3.46Å; E85-L88 PolarHBondContact O-N 3.46Å; E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 2.94Å
89T70.1Confident66.4Low90 Ų9078.3 Ų78.355%0.55245%0.454SS*.Hα-helixtrans-86.3-30.8176.554.90000112.6E85 E86 S91 G92E85-T89 HydrophobicContact CG-CG2 4.46Å; E85-T89 WeakPolarHBondContact O-CB 3.09Å; E85-T89 VanDerWaalsContact O-CG2 3.29Å; E85-T89 WeakPolarHBondContact O-CG2 3.45Å; E85-T89 PolarHBondContact O-N 3.34Å; E85-T89 PolarHBondContact O-OG1 3.2Å; E86-T89 WeakPolarHBondContact CA-OG1 3.18Å; E86-T89 PolarHBondContact O-N 3.46Å; E86-T89 PolarHBondContact O-OG1 3.38Å; E86-T89 VanDerWaalsContact O-OG1 3.12Å; T89-S91 VanDerWaalsContact C-N 3.34Å; T89-G92 WeakPolarHBondContact O-CA 3.25Å; T89-G92 PolarHBondContact O-N 3.43Å; T89-G92 VanDerWaalsContact O-N 3.13Å
90S63Low65.1Low89 Ų8980.1 Ų80.162%0.62247%0.467SS*.Hα-helixtrans-73.9-26.4177.279.50000112.1E86 M87 G92E86-S90 WeakPolarHBondContact O-CA 3.29Å; E86-S90 WeakPolarHBondContact O-CB 3.37Å; E86-S90 PolarHBondContact O-N 2.71Å; E86-S90 PolarHBondContact O-OG 3.25Å; M87-S90 PolarHBondContact O-OG 3.34Å; S90-G92 PolarHBondContact O-N 2.98Å
91S51.8Low63.5Low58 Ų5883.1 Ų83.141%0.40648%0.479SS..THydrogen-bonded Turntrans-7321.8166.7112.70000112.2M87 T89 D93M87-S91 PolarHBondContact O-N 2.95Å; M87-S91 VanDerWaalsContact O-N 3.13Å; T89-S91 VanDerWaalsContact C-N 3.34Å; S91-D93 PolarHBondContact O-N 2.86Å
92G50Low62Low44 Ų4487.8 Ų87.845%0.45449%0.494SS..  trans-44.4102.317900000110.4T89 S90 G94T89-G92 WeakPolarHBondContact O-CA 3.25Å; T89-G92 PolarHBondContact O-N 3.43Å; T89-G92 VanDerWaalsContact O-N 3.13Å; S90-G92 PolarHBondContact O-N 2.98Å; G92-G94 PolarHBondContact O-N 3.3Å
93D53.8Low60.3Low122 Ų12288.3 Ų88.365%0.65249%0.489SS*.SBendtrans40.1-28161.8-51.9-26000120.2S91 L97S91-D93 PolarHBondContact O-N 2.86Å; D93-L97 HydrophobicContact CB-CD1 4.28Å; D93-L97 WeakPolarHBondContact O-CB 3.38Å; D93-L97 WeakPolarHBondContact O-CD1 3.1Å; D93-L97 WeakPolarHBondContact O-CG 3.41Å; D93-L97 PolarHBondContact O-N 3.46Å
94G50.1Low59.1Low36 Ų3688 Ų8837%0.37150%0.497SS..Hα-helixtrans-66.7-47.5-17500000113.9G92 N98G92-G94 PolarHBondContact O-N 3.3Å; G94-N98 WeakPolarHBondContact O-CB 3.45Å; G94-N98 VanDerWaalsContact O-CG 3.26Å; G94-N98 PolarHBondContact O-N 3.44Å; G94-N98 PolarHBondContact O-ND2 2.94Å
95D52.4Low57.9Low124 Ų12491.9 Ų91.966%0.66353%0.525SS*.Hα-helixtrans-74.1-33.8-176.7-75.1-9.6000112.1L99D95-L99 PolarHBondContact O-N 2.92Å; D95-L99 VanDerWaalsContact O-N 3.09Å
96L47.5Very low56.6Low80 Ų8095.4 Ų95.442%0.41954%0.541SS..Hα-helixtrans-71.8-41175.7-107.6157000111.7L99 V100L96-L99 PolarHBondContact O-N 3.29Å; L96-V100 WeakPolarHBondContact O-CG2 3.35Å; L96-V100 PolarHBondContact O-N 3.32Å
97L49.8Very low54.9Low112 Ų11297.3 Ų97.359%0.58655%0.55SS**Hα-helixtrans-66.6-36.9174.6-71.5173.3000111.9D93 L99 V100 Q101D93-L97 HydrophobicContact CB-CD1 4.28Å; D93-L97 WeakPolarHBondContact O-CB 3.38Å; D93-L97 WeakPolarHBondContact O-CD1 3.1Å; D93-L97 WeakPolarHBondContact O-CG 3.41Å; D93-L97 PolarHBondContact O-N 3.46Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.9Å; L97-V100 PolarHBondContact O-N 2.67Å; L97-Q101 WeakPolarHBondContact O-CB 3.42Å; L97-Q101 PolarHBondContact O-N 3.36Å
98N50.2Low53.3Low97 Ų97101.1 Ų101.152%0.51956%0.564SS.*Hα-helixtrans-61.7-41.5173.1-80-20.5000111.7G94 Q101 E102G94-N98 WeakPolarHBondContact O-CB 3.45Å; G94-N98 VanDerWaalsContact O-CG 3.26Å; G94-N98 PolarHBondContact O-N 3.44Å; G94-N98 PolarHBondContact O-ND2 2.94Å; N98-Q101 PolarHBondContact O-N 3.49Å; N98-E102 WeakPolarHBondContact O-CB 3.32Å; N98-E102 PolarHBondContact O-N 2.86Å
99L50.8Low51.9Low75 Ų75104.8 Ų104.839%0.39358%0.584SS.*Hα-helixtrans-66.6-36.5175.7-110151.5000112.8D95 L96 L97 Q101 N103D95-L99 PolarHBondContact O-N 2.92Å; D95-L99 VanDerWaalsContact O-N 3.09Å; L96-L99 PolarHBondContact O-N 3.29Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.9Å; L99-Q101 VanDerWaalsContact C-N 3.34Å; L99-N103 PolarHBondContact O-N 2.7Å; L99-N103 PolarHBondContact O-ND2 3.36Å
100V55.3Low50.5Low90 Ų90107.6 Ų107.655%0.54560%0.595SS.*Hα-helixtrans-66.2-40.3173171.70000110.3L96 L97 N103 A104L96-V100 WeakPolarHBondContact O-CG2 3.35Å; L96-V100 PolarHBondContact O-N 3.32Å; L97-V100 PolarHBondContact O-N 2.67Å; V100-N103 PolarHBondContact O-N 3.28Å; V100-A104 VanDerWaalsContact O-CB 3.31Å; V100-A104 WeakPolarHBondContact O-CB 3.38Å; V100-A104 PolarHBondContact O-N 3.44Å
101Q53.2Low49.4Very low139 Ų139106.8 Ų106.865%0.6560%0.601SS**Hα-helixtrans-66.9-40.5177.4-168.9170.49.800112L97 N98 L99 A104 S105L97-Q101 WeakPolarHBondContact O-CB 3.42Å; L97-Q101 PolarHBondContact O-N 3.36Å; N98-Q101 PolarHBondContact O-N 3.49Å; L99-Q101 VanDerWaalsContact C-N 3.34Å; Q101-A104 PolarHBondContact O-N 2.88Å; Q101-S105 PolarHBondContact O-N 3.49Å; Q101-S105 PolarHBondContact O-OG 3.42Å
102E53.7Low48.9Very low136 Ų136111 Ų11164%0.63662%0.619SS**Hα-helixtrans-64.2-41.6176.6-166.9174.8-170.100111.6N98 S105N98-E102 WeakPolarHBondContact O-CB 3.32Å; N98-E102 PolarHBondContact O-N 2.86Å; E102-S105 PolarHBondContact O-N 3.12Å; E102-S105 PolarHBondContact O-OG 2.74Å
103N51.9Low48.4Very low68 Ų68116.6 Ų116.636%0.36464%0.639SS.*Hα-helixtrans-72.6-33.4176.2-72.7-60.6000113L99 V100 S105 E106 E107L99-N103 PolarHBondContact O-N 2.7Å; L99-N103 PolarHBondContact O-ND2 3.36Å; V100-N103 PolarHBondContact O-N 3.28Å; N103-S105 PolarHBondContact O-N 3.39Å; N103-E106 PolarHBondContact O-N 2.9Å; N103-E107 PolarHBondContact O-N 2.93Å
104A56.6Low47.8Very low69 Ų69117.5 Ų117.557%0.5764%0.643SS**Hα-helixtrans-65-21.9176.500000112.7V100 Q101 E106V100-A104 VanDerWaalsContact O-CB 3.31Å; V100-A104 WeakPolarHBondContact O-CB 3.38Å; V100-A104 PolarHBondContact O-N 3.44Å; Q101-A104 PolarHBondContact O-N 2.88Å; A104-E106 VanDerWaalsContact C-N 3.35Å
105S52.7Low47.5Very low92 Ų92122.4 Ų122.464%0.64366%0.661SS**THydrogen-bonded Turntrans-76.5-17.9170.722.10000114.4Q101 E102 N103Q101-S105 PolarHBondContact O-N 3.49Å; Q101-S105 PolarHBondContact O-OG 3.42Å; E102-S105 PolarHBondContact O-N 3.12Å; E102-S105 PolarHBondContact O-OG 2.74Å; N103-S105 PolarHBondContact O-N 3.39Å
106E51.8Low47.3Very low168 Ų168124.8 Ų124.879%0.78567%0.668SS**THydrogen-bonded Turntrans-99.8-10.8-176.8-148.5165.9-153.500113.3N103 A104 K108N103-E106 PolarHBondContact O-N 2.9Å; A104-E106 VanDerWaalsContact C-N 3.35Å; E106-K108 PolarHBondContact O-N 3.45Å
107E43.9Very low47.4Very low170 Ų170125 Ų12579%0.79468%0.677SS**  trans-94.168.1171.6-68.6-175173.500111.4N103N103-E107 PolarHBondContact O-N 2.93Å
108K40.1Very low47Very low194 Ų194124.3 Ų124.384%0.84369%0.687SS**  trans-121.273.5156.5-84.5-172.2-179.9171.30109E106E106-K108 PolarHBondContact O-N 3.45Å
109D40.5Very low46.7Very low148 Ų148126.5 Ų126.579%0.79170%0.698SS**  trans-174.9151.7134.3-126.8-17.8000110.2
110D41.1Very low46.1Very low148 Ų148130.8 Ų130.879%0.79172%0.721SS**  trans81.784.4168.5-58.2-25.3000118.5
111G39.4Very low45.7Very low73 Ų73132 Ų13275%0.75373%0.732SS**  89.684.5104.800000117.4
112D41.2Very low45.1Very low145 Ų145134.4 Ų134.478%0.77574%0.744SS**  21.9101.7129.7-143.910.4000116.9
113N40.9Very low44.5Very low162 Ų162136 Ų13687%0.86675%0.751SS**  trans-151.487.8152.5-105.2-20.7000108.3D115N113-D115 PolarHBondContact O-N 2.79Å
114D41Very low43.9Very low141 Ų141139 Ų13975%0.75477%0.772SS**  trans-57.4110.4154.5-82.4-28.2000108.8
115D42.9Very low43.3Very low139 Ų139142.1 Ų142.174%0.74378%0.779SS**  trans-141.881.7153.5-1540.5000109.5N113 S117N113-D115 PolarHBondContact O-N 2.79Å; D115-S117 PolarHBondContact O-N 3.36Å; D115-S117 PolarHBondContact O-OG 2.91Å
116E49.2Very low42.8Very low174 Ų174145.8 Ų145.881%0.81379%0.786SS**  trans-60.276167.7-74.8-80179.200110.2A118E116-A118 PolarHBondContact O-N 3.26Å
117S48.4Very low42.3Very low85 Ų85145.6 Ų145.659%0.59479%0.789SS**  trans-86.388.5163.628.60000109D115 L119D115-S117 PolarHBondContact O-N 3.36Å; D115-S117 PolarHBondContact O-OG 2.91Å; S117-L119 PolarHBondContact O-N 3.04Å
118A42.9Very low42.2Very low97 Ų97142.9 Ų142.980%0.80278%0.78SS**  trans-56.295.4165.500000109.7E116 D120E116-A118 PolarHBondContact O-N 3.26Å; A118-D120 PolarHBondContact O-N 2.78Å
119L43.8Very low42.5Very low144 Ų144139.6 Ų139.675%0.75477%0.771SS**  trans-85.9104.2168.9-65.9178.8000107.9S117 C121S117-L119 PolarHBondContact O-N 3.04Å; L119-C121 VanDerWaalsContact C-N 3.29Å; L119-C121 PolarHBondContact O-N 3.46Å
120D37.7Very low42.5Very low164 Ų164142.5 Ų142.588%0.87777%0.771SS**  trans-60.194163.7-108.2-12.2000108.1A118 E122A118-D120 PolarHBondContact O-N 2.78Å; D120-E122 VanDerWaalsContact C-N 3.32Å; D120-E122 PolarHBondContact O-N 3.21Å
121C46.9Very low42.4Very low115 Ų115137.5 Ų137.578%0.77776%0.755SS**  trans-92.266.6171.7-75.80000109.3L119 E123L119-C121 VanDerWaalsContact C-N 3.29Å; L119-C121 PolarHBondContact O-N 3.46Å; C121-E123 PolarHBondContact O-N 2.87Å
122E41Very low42.5Very low190 Ų190140.8 Ų140.889%0.88875%0.748SS**  trans-89.181.1156-81.4-164.5144.200108.6D120D120-E122 VanDerWaalsContact C-N 3.32Å; D120-E122 PolarHBondContact O-N 3.21Å
123E40.1Very low42.7Very low171 Ų171140 Ų14080%0.79974%0.738SS**  trans-146.692151.2-157.6161.4-165.800108.1C121 D125C121-E123 PolarHBondContact O-N 2.87Å; E123-D125 PolarHBondContact O-N 3.35Å
124T40.6Very low43.1Very low129 Ų129141.2 Ų141.279%0.79174%0.735SS**  trans-57119.7158.449.70000107.6
125D42.5Very low43.2Very low136 Ų136137.6 Ų137.673%0.72772%0.72SS**  trans-158.7131.1140.6-95.3-25.8000108.8E123 L127E123-D125 PolarHBondContact O-N 3.35Å; D125-L127 PolarHBondContact O-N 3.39Å
126E43.3Very low43.2Very low168 Ų168135.3 Ų135.379%0.78570%0.704SS**  trans-50.882.1165.6-63.4177151.400108.9L128E126-L128 HydrophobicContact CB-CD2 4.37Å; E126-L128 HydrophobicContact CB-CG 4.34Å; E126-L128 WeakPolarHBondContact O-CG 3.32Å; E126-L128 PolarHBondContact O-N 3.06Å
127L41.7Very low43Very low164 Ų164132.5 Ų132.586%0.85970%0.701SS**  trans-69.975.4159.1-73-178.8000106.1D125 L129D125-L127 PolarHBondContact O-N 3.39Å; L127-L129 PolarHBondContact O-N 3.13Å; L127-L129 VanDerWaalsContact O-N 3.14Å
128L40.9Very low42.5Very low113 Ų113136.1 Ų136.159%0.59271%0.713SS**  trans-38.1118.8171.4-68167.9000107.4E126 R130 G131E126-L128 HydrophobicContact CB-CD2 4.37Å; E126-L128 HydrophobicContact CB-CG 4.34Å; E126-L128 WeakPolarHBondContact O-CG 3.32Å; E126-L128 PolarHBondContact O-N 3.06Å; L128-R130 HydrophobicContact CB-CB 4.05Å; L128-R130 PolarHBondContact O-N 3.38Å; L128-G131 PolarHBondContact O-N 3.42Å
129L46Very low42.1Very low125 Ų125142.3 Ų142.365%0.65472%0.716SS**THydrogen-bonded Turntrans-41.7-17.9166.9-86.2137000113.7L127 G131 F132 K133L127-L129 PolarHBondContact O-N 3.13Å; L127-L129 VanDerWaalsContact O-N 3.14Å; L129-G131 PolarHBondContact O-N 3.11Å; L129-F132 WeakPolarHBondContact O-CB 3.12Å; L129-F132 PolarHBondContact O-N 3.37Å; L129-K133 PolarHBondContact O-N 2.93Å
130R40.7Very low41.4Very low209 Ų209146 Ų14679%0.78972%0.719SS**THydrogen-bonded Turntrans-50.3-32.5167.5-142.1175.7-169-132.31.4113.7L128 K133L128-R130 HydrophobicContact CB-CB 4.05Å; L128-R130 PolarHBondContact O-N 3.38Å; R130-K133 WeakPolarHBondContact O-CB 3.42Å
131G38.7Very low41.5Very low44 Ų44146.8 Ų146.845%0.45473%0.734SS.*THydrogen-bonded Turntrans-70.2-41.817300000113.2L128 L129 K133 K134L128-G131 PolarHBondContact O-N 3.42Å; L129-G131 PolarHBondContact O-N 3.11Å; G131-K133 PolarHBondContact O-N 3.42Å; G131-K134 PolarHBondContact O-N 3.13Å
132F42.9Very low41.3Very low142 Ų142148.4 Ų148.462%0.62373%0.731SS**Hα-helixtrans-57.7-35.8176.1-93.9-90.5000112.2L129 K134 C135 F136L129-F132 WeakPolarHBondContact O-CB 3.12Å; L129-F132 PolarHBondContact O-N 3.37Å; F132-K134 PolarHBondContact O-N 3.08Å; F132-K134 VanDerWaalsContact O-N 3.09Å; F132-C135 PolarHBondContact O-N 2.83Å; F132-F136 HydrophobicContact CD1-CD2 4.44Å; F132-F136 HydrophobicContact CD1-CE2 4.19Å; F132-F136 HydrophobicContact CE1-CE2 4.37Å
133K45Very low41.3Very low128 Ų128146.2 Ų146.256%0.55772%0.723SS**Hα-helixtrans-59.3-20.9177.6-150.8169.2-172.3167.80113.6L129 R130 G131L129-K133 PolarHBondContact O-N 2.93Å; R130-K133 WeakPolarHBondContact O-CB 3.42Å; G131-K133 PolarHBondContact O-N 3.42Å
134K49.2Very low41.3Very low187 Ų187144.8 Ų144.881%0.81372%0.719SS**Hα-helixtrans-99.3-22-178.5-141.9176.4-173.4-178.70113.7G131 F132G131-K134 PolarHBondContact O-N 3.13Å; F132-K134 PolarHBondContact O-N 3.08Å; F132-K134 VanDerWaalsContact O-N 3.09Å
135C43.8Very low41.4Very low65 Ų65145.8 Ų145.844%0.43972%0.715SS.*Hα-helixtrans-83.4-20.3-176.1-68.20000114F132 P137F132-C135 PolarHBondContact O-N 2.83Å; C135-P137 VanDerWaalsContact C-CD 3.49Å; C135-P137 WeakPolarHBondContact O-CD 3.42Å
136F42.7Very low41.3Very low92 Ų92146.4 Ų146.440%0.40471%0.714SS.*  trans-127.170-174-64.2-82.4000113.4F132 L138F132-F136 HydrophobicContact CD1-CD2 4.44Å; F132-F136 HydrophobicContact CD1-CE2 4.19Å; F132-F136 HydrophobicContact CE1-CE2 4.37Å; F136-L138 PolarHBondContact O-N 3.17Å
137P44.6Very low41.2Very low114 Ų114144.9 Ų144.974%0.7471%0.709SS**THydrogen-bonded Turntrans-71.5-10.3169.828.4-32.5000113.8C135C135-P137 VanDerWaalsContact C-CD 3.49Å; C135-P137 WeakPolarHBondContact O-CD 3.42Å
138L38.6Very low41.1Very low161 Ų161143.6 Ų143.684%0.84370%0.699SS**THydrogen-bonded Turntrans-107.37.7-173.3-76.5166.2000114.9F136 R140F136-L138 PolarHBondContact O-N 3.17Å; L138-R140 PolarHBondContact O-N 2.78Å
139W33.4Very low41.2Very low228 Ų228145.9 Ų145.986%0.86471%0.707SS**  trans-80.569.3166.6-120.557.7000109.1
140R29.5Very low40.8Very low221 Ų221147.7 Ų147.783%0.83471%0.711SS**  trans-103129.5164.3-164.4-172.2-78.9-158.5-1.9105.7L138L138-R140 PolarHBondContact O-N 2.78Å
141P40.1Very low40.8Very low181 Ų181142.1 Ų142.1100%1.17570%0.704SS**  trans-60.30-177.924.4-33.3000112.8

Retrieved 141 of 141 residues in 181.4 ms (Link to these results)