A0A077YZI5_TRITR Loading...

DB domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZI5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 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
1M41.9Very low64.3Low242 Ų242123.9 Ų123.9100%1.19264%0.642SS**  0115.10-89.9159.5122.700107.3T3M1-T3 PolarHBondContact O-N 2.54Å
2F46.5Very low65.8Low206 Ų206117.6 Ų117.690%0.90463%0.63SS**  trans-68114166.8-62-84.4000106Q4F2-Q4 PolarHBondContact O-N 2.91Å
3T52.6Low67.6Low137 Ų137113.9 Ų113.984%0.8463%0.626SS**  trans-55.6114.2165.436.60000105.9M1 S5M1-T3 PolarHBondContact O-N 2.54Å; T3-S5 PolarHBondContact O-N 3.11Å
4Q56.1Low69.4Low188 Ų188106.4 Ų106.488%0.87959%0.585SS**  trans-58.3118.1171.4-66.7-17230.400105.7F2 S6F2-Q4 PolarHBondContact O-N 2.91Å; Q4-S6 PolarHBondContact O-N 3.1Å
5S60.7Low70.9Confident89 Ų89100.6 Ų100.662%0.62256%0.56SS**  trans-59.9111.5174-178.80000106.8T3 R7T3-S5 PolarHBondContact O-N 3.11Å; S5-R7 PolarHBondContact O-N 3.48Å
6S74.5Confident72.1Confident45 Ų4595.9 Ų95.932%0.31554%0.541SS..  trans-61.1131.617543.50000108.3Q4 A13 C14Q4-S6 PolarHBondContact O-N 3.1Å; S6-A13 WeakPolarHBondContact O-CA 3.3Å; S6-C14 WeakPolarHBondContact CB-SG 3.24Å; S6-C14 PolarHBondContact O-N 3.46Å; S6-C14 VanDerWaalsContact O-N 3.16Å; S6-C14 PolarHBondContact O-SG 3.41Å; S6-C14 VanDerWaalsContact O-SG 3.36Å
7R76Confident73.2Confident203 Ų20395.3 Ų95.377%0.76654%0.542SS*.BIsolated β-bridgetrans-104.7133.6-179.4-78.7-174.5177.7-170.10110.4S5 G12 C14S5-R7 PolarHBondContact O-N 3.48Å; R7-G12 CarbonylContact C-O 3.59Å; R7-G12 WeakPolarHBondContact CA-O 3.43Å; R7-C14 VanDerWaalsContact C-SG 3.58Å
8S75.6Confident74Confident7 Ų795.3 Ų95.35%0.04955%0.546CS..  trans-65.6151.2173.5-1700000110.4Q10 G11 G12 P22S8-Q10 PolarHBondContact O-N 3.25Å; S8-Q10 VanDerWaalsContact O-N 3.07Å; S8-Q10 PolarHBondContact OG-N 3.34Å; S8-G11 WeakPolarHBondContact O-CA 3.3Å; S8-G11 PolarHBondContact O-N 3.21Å; S8-G12 PolarHBondContact N-O 2.82Å; S8-P22 WeakPolarHBondContact CB-O 3.04Å; S8-P22 PolarHBondContact OG-O 3.11Å
9P74.4Confident74.9Confident69 Ų6995.1 Ų95.145%0.44854%0.543SS..THydrogen-bonded Turntrans-57.6-21.2169.1-23.834.8000113P22 C23 P25P9-P22 WeakPolarHBondContact CD-O 3.39Å; P9-C23 WeakPolarHBondContact CD-O 3.48Å; P9-P25 HydrophobicContact CB-CG 4.3Å; P9-P25 HydrophobicContact CG-CG 3.91Å
10Q72.6Confident75.8Confident138 Ų13891.1 Ų91.165%0.64552%0.519SS*.THydrogen-bonded Turntrans-91.83.2175.7-60.2124.745.300113.4S8S8-Q10 PolarHBondContact O-N 3.25Å; S8-Q10 VanDerWaalsContact O-N 3.07Å; S8-Q10 PolarHBondContact OG-N 3.34Å
11G76.7Confident76.7Confident39 Ų3990.4 Ų90.440%0.40251%0.51SS..SBendtrans87.3162.1-174.400000114.1S8S8-G11 WeakPolarHBondContact O-CA 3.3Å; S8-G11 PolarHBondContact O-N 3.21Å
12G82.4Confident79.2Confident48 Ų4879.3 Ų79.350%0.49546%0.456SS..SBendtrans77.5179-17600000113.8R7 S8R7-G12 CarbonylContact C-O 3.59Å; R7-G12 WeakPolarHBondContact CA-O 3.43Å; S8-G12 PolarHBondContact N-O 2.82Å
13A88.1Confident81.6Confident70 Ų7070.2 Ų70.258%0.57942%0.418SS*.BIsolated β-bridgetrans-68.4148.7176.300000111.2S6S6-A13 WeakPolarHBondContact O-CA 3.3Å
14C93.6Very high83.6Confident8 Ų865 Ų655%0.05438%0.384CS..  trans-129.5172.1178.966.20000111.3S6 R7 G16 K21 C23S6-C14 WeakPolarHBondContact CB-SG 3.24Å; S6-C14 PolarHBondContact O-N 3.46Å; S6-C14 VanDerWaalsContact O-N 3.16Å; S6-C14 PolarHBondContact O-SG 3.41Å; S6-C14 VanDerWaalsContact O-SG 3.36Å; R7-C14 VanDerWaalsContact C-SG 3.58Å; C14-G16 PolarHBondContact O-N 3.19Å; C14-K21 CarbonylContact C-O 3.51Å; C14-K21 WeakPolarHBondContact CA-O 3.43Å; C14-K21 VanDerWaalsContact CB-O 3.25Å; C14-K21 WeakPolarHBondContact CB-O 3.1Å; C14-C23 VanDerWaalsContact C-SG 3.51Å; C14-C23 HydrophobicContact CB-CB 3.94Å; C14-C23 WeakPolarHBondContact CB-SG 3.05Å; C14-C23 WeakPolarHBondContact SG-CA 3.1Å; C14-C23 WeakPolarHBondContact SG-CB 2.98Å; C14-C23 CovalentContact SG-SG 2.03Å; C14-C23 PolarHBondContact SG-SG 2.9Å
15G91.9Very high85.5Confident20 Ų2059 Ų5921%0.20636%0.362CS..SBendtrans71-14.1175.300000116.6K21 C23 S135G15-K21 PolarHBondContact N-O 3.4Å; G15-C23 PolarHBondContact N-SG 3.04Å; G15-S135 WeakPolarHBondContact CA-O 3.09Å
16G90.6Very high87.2Confident25 Ų2557.7 Ų57.726%0.25835%0.347SS..SBendtrans-126.5179.8-178.500000114.5C14 Y20C14-G16 PolarHBondContact O-N 3.19Å; G16-Y20 VanDerWaalsContact O-CA 3.22Å; G16-Y20 WeakPolarHBondContact O-CA 3.39Å; G16-Y20 PolarHBondContact O-N 3.18Å
17P89.7Confident88.3Confident86 Ų8659.9 Ų59.956%0.55836%0.363SS*.THydrogen-bonded Turntrans-61.4159.717528.2-35.8000112.1Y20P17-Y20 HydrophobicContact CB-CE2 4.04Å
18P88.7Confident89.4Confident96 Ų9654.2 Ų54.262%0.62334%0.344SS*.THydrogen-bonded Turncis-81.7-23.52.730.9-33.4000114
19D89.6Confident90.5Very high90 Ų9053.9 Ų53.948%0.48134%0.342SS..THydrogen-bonded Turntrans-97.6-18-164.5-59.5-25.1000113.7K21D19-K21 VanDerWaalsContact C-N 3.31Å; D19-K21 HydrophobicContact CB-CD 4.2Å; D19-K21 HydrophobicContact CB-CG 3.88Å; D19-K21 PolarHBondContact O-N 3.14Å; D19-K21 VanDerWaalsContact OD2-CE 3.31Å; D19-K21 WeakPolarHBondContact OD2-CE 3.3Å; D19-K21 IonicContact OD2-NZ 2.74Å; D19-K21 PolarHBondContact OD2-NZ 2.75Å
20Y93.6Very high91.6Very high16 Ų1652 Ų526%0.06333%0.328CS..THydrogen-bonded Turntrans46.357.1-170.8-64.8-91.1000110.6G16 P17 Q87 C88 K91 S135G16-Y20 VanDerWaalsContact O-CA 3.22Å; G16-Y20 WeakPolarHBondContact O-CA 3.39Å; G16-Y20 PolarHBondContact O-N 3.18Å; P17-Y20 HydrophobicContact CB-CE2 4.04Å; Y20-Q87 WeakPolarHBondContact OH-CG 3.46Å; Y20-Q87 PolarHBondContact OH-OE1 2.93Å; Y20-C88 HydrophobicContact CD1-CB 3.59Å; Y20-C88 HydrophobicContact CD2-CB 4.42Å; Y20-C88 HydrophobicContact CE1-CB 3.6Å; Y20-C88 HydrophobicContact CE2-CB 4.43Å; Y20-C88 HydrophobicContact CG-CB 4.01Å; Y20-C88 VanDerWaalsContact CG-SG 3.57Å; Y20-K91 HydrophobicContact CE2-CB 4.1Å; Y20-K91 HydrophobicContact CE2-CG 4.03Å; Y20-S135 VanDerWaalsContact O-CB 3.27Å; Y20-S135 WeakPolarHBondContact O-CB 3.31Å; Y20-S135 PolarHBondContact O-OG 3.32Å
21K94Very high92.8Very high77 Ų7750.3 Ų50.334%0.33532%0.32SS..  trans-75.2141.4175.1-75170179.2147.30109.8C14 G15 D19C14-K21 CarbonylContact C-O 3.51Å; C14-K21 WeakPolarHBondContact CA-O 3.43Å; C14-K21 VanDerWaalsContact CB-O 3.25Å; C14-K21 WeakPolarHBondContact CB-O 3.1Å; G15-K21 PolarHBondContact N-O 3.4Å; D19-K21 VanDerWaalsContact C-N 3.31Å; D19-K21 HydrophobicContact CB-CD 4.2Å; D19-K21 HydrophobicContact CB-CG 3.88Å; D19-K21 PolarHBondContact O-N 3.14Å; D19-K21 VanDerWaalsContact OD2-CE 3.31Å; D19-K21 WeakPolarHBondContact OD2-CE 3.3Å; D19-K21 IonicContact OD2-NZ 2.74Å; D19-K21 PolarHBondContact OD2-NZ 2.75Å
22P95.6Very high93.8Very high8 Ų850.4 Ų50.45%0.05231%0.311CS..  trans-61.8143.5173.4-23.333.2000113.9S8 P9 W134S8-P22 WeakPolarHBondContact CB-O 3.04Å; S8-P22 PolarHBondContact OG-O 3.11Å; P9-P22 WeakPolarHBondContact CD-O 3.39Å; P22-W134 HydrophobicContact CB-CD2 3.6Å; P22-W134 HydrophobicContact CB-CE3 4.28Å; P22-W134 HydrophobicContact CB-CG 3.82Å; P22-W134 HydrophobicContact CB-CH2 4.34Å; P22-W134 HydrophobicContact CB-CZ2 3.68Å; P22-W134 HydrophobicContact CG-CB 4.43Å; P22-W134 HydrophobicContact CG-CD2 3.3Å; P22-W134 VanDerWaalsContact CG-CE2 3.46Å; P22-W134 HydrophobicContact CG-CE3 3.49Å; P22-W134 VanDerWaalsContact CG-CE3 3.49Å; P22-W134 HydrophobicContact CG-CG 3.77Å; P22-W134 HydrophobicContact CG-CH2 3.92Å; P22-W134 HydrophobicContact CG-CZ2 3.75Å; P22-W134 HydrophobicContact CG-CZ3 3.81Å
23C95.9Very high94.6Very high15 Ų1548.1 Ų48.110%0.10129%0.287CS..SBendtrans-86.6-19.4176.1-64.70000113.2P9 C14 G15 L137P9-C23 WeakPolarHBondContact CD-O 3.48Å; C14-C23 VanDerWaalsContact C-SG 3.51Å; C14-C23 HydrophobicContact CB-CB 3.94Å; C14-C23 WeakPolarHBondContact CB-SG 3.05Å; C14-C23 WeakPolarHBondContact SG-CA 3.1Å; C14-C23 WeakPolarHBondContact SG-CB 2.98Å; C14-C23 CovalentContact SG-SG 2.03Å; C14-C23 PolarHBondContact SG-SG 2.9Å; G15-C23 PolarHBondContact N-SG 3.04Å; C23-L137 WeakPolarHBondContact CB-O 3.17Å
24I95.7Very high95.1Very high27 Ų2748.2 Ų48.214%0.13828%0.276CS..SBendtrans-120.9150.3-179.765.8170.4000111.6A29 I32 W134 L137I24-A29 HydrophobicContact CD1-CB 3.8Å; I24-A29 HydrophobicContact CG1-CB 4.06Å; I24-I32 HydrophobicContact CD1-CD1 4.03Å; I24-W134 WeakPolarHBondContact O-CZ2 3.12Å; I24-W134 PolarHBondContact O-NE1 3.16Å; I24-L137 HydrophobicContact CD1-CB 3.88Å; I24-L137 HydrophobicContact CD1-CD1 3.69Å; I24-L137 HydrophobicContact CD1-CG 4.47Å; I24-L137 HydrophobicContact CG1-CB 4.21Å
25P96.1Very high95.3Very high63 Ų6352.6 Ų52.641%0.40930%0.295SS..  trans-61.3152.2175.8-22.533.7000112.9P9 S27 K28 A29P9-P25 HydrophobicContact CB-CG 4.3Å; P9-P25 HydrophobicContact CG-CG 3.91Å; P25-S27 VanDerWaalsContact C-N 3.28Å; P25-S27 PolarHBondContact O-N 2.96Å; P25-K28 PolarHBondContact O-N 2.03Å; P25-K28 VanDerWaalsContact O-N 3.15Å; P25-A29 PolarHBondContact O-N 3.29Å
26L96.6Very high95.6Very high61 Ų6152.5 Ų52.532%0.31929%0.291SS..Hα-helixtrans-56.3-41.6-178.4178.163.5000112.2K28 A29 N30 D52 W134L26-K28 VanDerWaalsContact C-N 3.35Å; L26-K28 PolarHBondContact O-N 2.91Å; L26-A29 PolarHBondContact O-N 3.47Å; L26-N30 WeakPolarHBondContact O-CB 3.37Å; L26-N30 PolarHBondContact O-N 3.34Å; L26-D52 HydrophobicContact CD2-CB 4.16Å; L26-W134 VanDerWaalsContact CA-CZ2 3.48Å; L26-W134 HydrophobicContact CB-CH2 3.75Å; L26-W134 HydrophobicContact CB-CZ2 3.8Å; L26-W134 HydrophobicContact CD1-CE3 4.42Å; L26-W134 HydrophobicContact CD1-CH2 4.03Å; L26-W134 HydrophobicContact CD1-CZ2 4.31Å; L26-W134 HydrophobicContact CD1-CZ3 4.07Å; L26-W134 HydrophobicContact CG-CH2 4.43Å
27S97.8Very high96Very high92 Ų9251.3 Ų51.364%0.64328%0.279SS*.Hα-helixtrans-58.9-45.5179.451.30000112.1P25 N30 E31P25-S27 VanDerWaalsContact C-N 3.28Å; P25-S27 PolarHBondContact O-N 2.96Å; S27-N30 PolarHBondContact O-N 3.18Å; S27-E31 WeakPolarHBondContact O-CB 3.44Å; S27-E31 PolarHBondContact O-N 3.25Å
28K97.8Very high96.4Very high84 Ų8452.5 Ų52.537%0.36528%0.277SS..Hα-helixtrans-69.9-38.6178.4-173.650.6172.3170.70111.8P25 L26 E31 I32P25-K28 PolarHBondContact O-N 2.03Å; P25-K28 VanDerWaalsContact O-N 3.15Å; L26-K28 VanDerWaalsContact C-N 3.35Å; L26-K28 PolarHBondContact O-N 2.91Å; K28-E31 WeakPolarHBondContact CD-OE2 3.42Å; K28-E31 IonicContact NZ-OE1 2.71Å; K28-E31 PolarHBondContact NZ-OE1 2.8Å; K28-E31 IonicContact NZ-OE2 2.86Å; K28-E31 PolarHBondContact NZ-OE2 3.48Å; K28-E31 PolarHBondContact O-N 2.97Å; K28-I32 HydrophobicContact CD-CD1 4.21Å; K28-I32 HydrophobicContact CD-CG1 4.33Å; K28-I32 HydrophobicContact CG-CD1 4.02Å; K28-I32 VanDerWaalsContact O-CG1 3.31Å; K28-I32 WeakPolarHBondContact O-CG1 3.45Å; K28-I32 PolarHBondContact O-N 2.97Å
29A98.1Very high96.9Very high0 Ų053.7 Ų53.70%028%0.278CS..Hα-helixtrans-61.3-46.1175.400000111.4I24 P25 L26 I32 F33 Y51 W134 L137I24-A29 HydrophobicContact CD1-CB 3.8Å; I24-A29 HydrophobicContact CG1-CB 4.06Å; P25-A29 PolarHBondContact O-N 3.29Å; L26-A29 PolarHBondContact O-N 3.47Å; A29-I32 PolarHBondContact O-N 3.2Å; A29-F33 VanDerWaalsContact O-CB 3.3Å; A29-F33 WeakPolarHBondContact O-CB 3.17Å; A29-F33 PolarHBondContact O-N 3.15Å; A29-Y51 HydrophobicContact CB-CD2 3.6Å; A29-Y51 HydrophobicContact CB-CE2 3.5Å; A29-Y51 VanDerWaalsContact CB-CE2 3.5Å; A29-Y51 WeakPolarHBondContact O-CE2 3.32Å; A29-W134 VanDerWaalsContact CB-CD1 3.44Å; A29-W134 HydrophobicContact CB-CG 4.28Å; A29-W134 VanDerWaalsContact CB-NE1 3.28Å; A29-L137 HydrophobicContact CB-CD1 4.24Å
30N98.6Very high97.2Very high30 Ų3052.3 Ų52.316%0.1627%0.271CS..Hα-helixtrans-63.5-40.4177-75.9-1.4000112L26 S27 F33 H34 H50 Y51 D52L26-N30 WeakPolarHBondContact O-CB 3.37Å; L26-N30 PolarHBondContact O-N 3.34Å; S27-N30 PolarHBondContact O-N 3.18Å; N30-F33 PolarHBondContact O-N 3.35Å; N30-H34 WeakPolarHBondContact O-CB 3.31Å; N30-H34 PolarHBondContact O-N 3.2Å; N30-H50 HydrophobicContact CB-CB 4.32Å; N30-H50 WeakPolarHBondContact OD1-CA 3.36Å; N30-Y51 WeakPolarHBondContact OD1-CD2 3.4Å; N30-Y51 PolarHBondContact OD1-N 3Å; N30-D52 PolarHBondContact ND2-OD1 2.9Å
31E98.5Very high97.3Very high101 Ų10157.7 Ų57.747%0.47230%0.3SS..Hα-helixtrans-58.1-52.7174.7-174-165.7152.600111.2S27 K28 F33 H34 E35S27-E31 WeakPolarHBondContact O-CB 3.44Å; S27-E31 PolarHBondContact O-N 3.25Å; K28-E31 WeakPolarHBondContact CD-OE2 3.42Å; K28-E31 IonicContact NZ-OE1 2.71Å; K28-E31 PolarHBondContact NZ-OE1 2.8Å; K28-E31 IonicContact NZ-OE2 2.86Å; K28-E31 PolarHBondContact NZ-OE2 3.48Å; K28-E31 PolarHBondContact O-N 2.97Å; E31-F33 VanDerWaalsContact C-N 3.35Å; E31-F33 PolarHBondContact O-N 3.24Å; E31-H34 PolarHBondContact O-N 3.29Å; E31-E35 WeakPolarHBondContact O-CB 3.4Å; E31-E35 PolarHBondContact O-N 3.31Å
32I98Very high97.4Very high41 Ų4154.1 Ų54.121%0.2129%0.285CS..Hα-helixtrans-60.4-45.4179.5-67.3164.4000111.2I24 K28 A29 C36 Q81I24-I32 HydrophobicContact CD1-CD1 4.03Å; K28-I32 HydrophobicContact CD-CD1 4.21Å; K28-I32 HydrophobicContact CD-CG1 4.33Å; K28-I32 HydrophobicContact CG-CD1 4.02Å; K28-I32 VanDerWaalsContact O-CG1 3.31Å; K28-I32 WeakPolarHBondContact O-CG1 3.45Å; K28-I32 PolarHBondContact O-N 2.97Å; A29-I32 PolarHBondContact O-N 3.2Å; I32-C36 PolarHBondContact O-N 3.32Å; I32-C36 VanDerWaalsContact O-N 3.11Å; I32-Q81 HydrophobicContact CG2-CG 4.32Å
33F98.2Very high97.4Very high0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-64.4-47.2-178.7-172-175.7000110.9A29 N30 E31 C36 C37 C49 Y51 Y75 C78 A79 L130A29-F33 VanDerWaalsContact O-CB 3.3Å; A29-F33 WeakPolarHBondContact O-CB 3.17Å; A29-F33 PolarHBondContact O-N 3.15Å; N30-F33 PolarHBondContact O-N 3.35Å; E31-F33 VanDerWaalsContact C-N 3.35Å; E31-F33 PolarHBondContact O-N 3.24Å; F33-C36 PolarHBondContact O-N 2.95Å; F33-C37 PolarHBondContact O-N 3.4Å; F33-C37 VanDerWaalsContact O-N 3.13Å; F33-C37 PolarHBondContact O-SG 3.46Å; F33-C37 VanDerWaalsContact O-SG 3.34Å; F33-C49 HydrophobicContact CD2-CB 3.9Å; F33-C49 HydrophobicContact CE2-CB 3.9Å; F33-C49 HydrophobicContact CG-CB 4.25Å; F33-C49 HydrophobicContact CZ-CB 4.28Å; F33-Y51 HydrophobicContact CB-CE2 3.97Å; F33-Y51 HydrophobicContact CD1-CD1 4.45Å; F33-Y51 HydrophobicContact CD1-CD2 4.06Å; F33-Y51 HydrophobicContact CD1-CE1 4.22Å; F33-Y51 AromaticContact CD1-CE2 3.79Å; F33-Y51 HydrophobicContact CD1-CE2 3.79Å; F33-Y51 HydrophobicContact CD1-CG 4.39Å; F33-Y51 AromaticContact CD1-CZ 3.91Å; F33-Y51 HydrophobicContact CE1-CE1 4.47Å; F33-Y51 HydrophobicContact CG-CE2 4.27Å; F33-Y75 HydrophobicContact CE1-CE2 4.23Å; F33-Y75 HydrophobicContact CE2-CD2 4.13Å; F33-Y75 HydrophobicContact CE2-CE2 4.11Å; F33-Y75 WeakPolarHBondContact CE2-O 3.33Å; F33-Y75 AromaticContact CZ-CD2 3.83Å; F33-Y75 HydrophobicContact CZ-CD2 3.83Å; F33-Y75 AromaticContact CZ-CE2 3.37Å; F33-Y75 HydrophobicContact CZ-CE2 3.37Å; F33-Y75 AromaticContact CZ-CZ 3.86Å; F33-C78 HydrophobicContact CD2-CB 3.7Å; F33-C78 HydrophobicContact CE2-CB 3.77Å; F33-A79 HydrophobicContact CD1-CB 4.49Å; F33-A79 HydrophobicContact CD2-CB 4.38Å; F33-A79 HydrophobicContact CE1-CB 3.78Å; F33-A79 VanDerWaalsContact CE2-CA 3.42Å; F33-A79 HydrophobicContact CE2-CB 3.68Å; F33-A79 HydrophobicContact CZ-CB 3.31Å; F33-L130 HydrophobicContact CE1-CD2 3.99Å; F33-L130 HydrophobicContact CZ-CD2 4.43Å
34H98.7Very high97.5Very high73 Ų7358.1 Ų58.134%0.33832%0.317SS..Hα-helixtrans-62.3-48179.4-164.181.2000112N30 E31 C36 C37 E38N30-H34 WeakPolarHBondContact O-CB 3.31Å; N30-H34 PolarHBondContact O-N 3.2Å; E31-H34 PolarHBondContact O-N 3.29Å; H34-C36 VanDerWaalsContact C-N 3.31Å; H34-C36 PolarHBondContact O-N 2.92Å; H34-C37 WeakPolarHBondContact O-CB 3.39Å; H34-C37 PolarHBondContact O-N 2.96Å; H34-E38 IonicContact CD2-OE1 3.11Å; H34-E38 IonicContact CD2-OE2 3.75Å; H34-E38 IonicContact NE2-OE1 2.73Å; H34-E38 PolarHBondContact O-N 2.99Å
35E98.6Very high97.5Very high99 Ų9956.9 Ų56.946%0.46331%0.311SS..Hα-helixtrans-59-41.4179.4-175.4-177.4174.800111.7E31 C37 E38 N39E31-E35 WeakPolarHBondContact O-CB 3.4Å; E31-E35 PolarHBondContact O-N 3.31Å; E35-C37 VanDerWaalsContact C-N 3.35Å; E35-C37 PolarHBondContact O-N 3.02Å; E35-E38 PolarHBondContact O-N 3.21Å; E35-N39 WeakPolarHBondContact O-CB 3.01Å; E35-N39 VanDerWaalsContact O-CG 3.26Å; E35-N39 PolarHBondContact O-N 2.93Å; E35-N39 PolarHBondContact O-ND2 3.49Å; E35-N39 VanDerWaalsContact O-ND2 3.09Å
36C98.1Very high97.7Very high19 Ų1956 Ų5613%0.12830%0.302CS..Hα-helixtrans-60.6-44.1173.7178.40000111.9I32 F33 H34 E38 N39 L40 C78I32-C36 PolarHBondContact O-N 3.32Å; I32-C36 VanDerWaalsContact O-N 3.11Å; F33-C36 PolarHBondContact O-N 2.95Å; H34-C36 VanDerWaalsContact C-N 3.31Å; H34-C36 PolarHBondContact O-N 2.92Å; C36-E38 PolarHBondContact O-N 3.35Å; C36-N39 PolarHBondContact O-N 3.02Å; C36-L40 WeakPolarHBondContact O-CG 2.96Å; C36-L40 PolarHBondContact O-N 2.02Å; C36-C78 HydrophobicContact CB-CB 3.57Å; C36-C78 WeakPolarHBondContact CB-SG 3.32Å; C36-C78 PolarHBondContact O-SG 3.28Å; C36-C78 WeakPolarHBondContact SG-CA 3.19Å; C36-C78 WeakPolarHBondContact SG-CB 3Å; C36-C78 CovalentContact SG-SG 2.05Å; C36-C78 PolarHBondContact SG-SG 3.27Å
37C98.2Very high97.7Very high0 Ų060.4 Ų60.40%032%0.315CS..Hα-helixtrans-65.8-37.1179.6-69.40000113.3F33 H34 E35 N41 I42 I46 C49F33-C37 PolarHBondContact O-N 3.4Å; F33-C37 VanDerWaalsContact O-N 3.13Å; F33-C37 PolarHBondContact O-SG 3.46Å; F33-C37 VanDerWaalsContact O-SG 3.34Å; H34-C37 WeakPolarHBondContact O-CB 3.39Å; H34-C37 PolarHBondContact O-N 2.96Å; E35-C37 VanDerWaalsContact C-N 3.35Å; E35-C37 PolarHBondContact O-N 3.02Å; C37-N41 PolarHBondContact O-N 3.13Å; C37-I42 HydrophobicContact CB-CD1 3.7Å; C37-I42 HydrophobicContact CB-CG1 3.96Å; C37-I42 PolarHBondContact O-N 3.47Å; C37-I42 VanDerWaalsContact SG-CD1 3.51Å; C37-I46 HydrophobicContact CB-CG1 4.02Å; C37-C49 HydrophobicContact CB-CB 3.65Å; C37-C49 WeakPolarHBondContact CB-SG 3.34Å; C37-C49 WeakPolarHBondContact SG-CB 3.41Å; C37-C49 CovalentContact SG-SG 2.02Å; C37-C49 PolarHBondContact SG-SG 2.97Å
38E98.4Very high97.7Very high110 Ų11056 Ų5651%0.51428%0.284SS..Hα-helixtrans-60.6-51.4171.4-71.3-176.9132.300110.6H34 E35 C36 L40 N41 I46H34-E38 IonicContact CD2-OE1 3.11Å; H34-E38 IonicContact CD2-OE2 3.75Å; H34-E38 IonicContact NE2-OE1 2.73Å; H34-E38 PolarHBondContact O-N 2.99Å; E35-E38 PolarHBondContact O-N 3.21Å; C36-E38 PolarHBondContact O-N 3.35Å; E38-L40 VanDerWaalsContact C-N 3.31Å; E38-L40 PolarHBondContact O-N 3.34Å; E38-N41 PolarHBondContact O-N 3.47Å; E38-I46 HydrophobicContact CB-CD1 4.39Å; E38-I46 HydrophobicContact CG-CD1 3.41Å; E38-I46 VanDerWaalsContact CG-CD1 3.41Å
39N98.3Very high97.8Very high122 Ų12252 Ų5265%0.65227%0.267SS*.Hα-helixtrans-61.8-35.6-178.8-74.4-33.7000113.2E35 C36 N41E35-N39 WeakPolarHBondContact O-CB 3.01Å; E35-N39 VanDerWaalsContact O-CG 3.26Å; E35-N39 PolarHBondContact O-N 2.93Å; E35-N39 PolarHBondContact O-ND2 3.49Å; E35-N39 VanDerWaalsContact O-ND2 3.09Å; C36-N39 PolarHBondContact O-N 3.02Å; N39-N41 VanDerWaalsContact C-N 3.29Å
40L96.3Very high97.8Very high61 Ų6154.4 Ų54.432%0.31928%0.278SS..THydrogen-bonded Turntrans-83.6-3.1177.1-66.2-168.6000114.3C36 E38 I42 K74 Y77 C78C36-L40 WeakPolarHBondContact O-CG 2.96Å; C36-L40 PolarHBondContact O-N 2.02Å; E38-L40 VanDerWaalsContact C-N 3.31Å; E38-L40 PolarHBondContact O-N 3.34Å; L40-I42 HydrophobicContact CB-CG2 3.8Å; L40-I42 PolarHBondContact O-N 2.99Å; L40-K74 HydrophobicContact CB-CD 4.4Å; L40-K74 HydrophobicContact CD1-CB 4.1Å; L40-K74 HydrophobicContact CD1-CG 4.41Å; L40-K74 PolarHBondContact O-NZ 3.19Å; L40-Y77 HydrophobicContact CD1-CD1 3.95Å; L40-Y77 HydrophobicContact CD1-CE1 4.46Å; L40-C78 VanDerWaalsContact CD1-SG 3.54Å
41N96.7Very high97.8Very high128 Ų12853.8 Ų53.868%0.68427%0.273SS*.THydrogen-bonded Turntrans46.160.3-178.6-17323000112.3C37 E38 N39 G43C37-N41 PolarHBondContact O-N 3.13Å; E38-N41 PolarHBondContact O-N 3.47Å; N39-N41 VanDerWaalsContact C-N 3.29Å; N41-G43 PolarHBondContact O-N 3.23Å
42I95.4Very high97.7Very high2 Ų253.3 Ų53.31%0.0127%0.274CS..  trans-82.915.6-174.670.7167.6000114C37 L40 C45 I46 C49 M71 K74 Y75C37-I42 HydrophobicContact CB-CD1 3.7Å; C37-I42 HydrophobicContact CB-CG1 3.96Å; C37-I42 PolarHBondContact O-N 3.47Å; C37-I42 VanDerWaalsContact SG-CD1 3.51Å; L40-I42 HydrophobicContact CB-CG2 3.8Å; L40-I42 PolarHBondContact O-N 2.99Å; I42-C45 HydrophobicContact CB-CB 4.29Å; I42-C45 HydrophobicContact CD1-CB 3.53Å; I42-C45 HydrophobicContact CG1-CB 3.86Å; I42-C45 WeakPolarHBondContact O-CB 3.5Å; I42-C45 PolarHBondContact O-N 3.1Å; I42-I46 HydrophobicContact CG1-CB 4.29Å; I42-C49 WeakPolarHBondContact CD1-SG 3.27Å; I42-M71 HydrophobicContact CB-SD 4.44Å; I42-K74 HydrophobicContact CG2-CB 3.58Å; I42-K74 HydrophobicContact CG2-CD 3.84Å; I42-K74 HydrophobicContact CG2-CG 4.41Å; I42-Y75 HydrophobicContact CD1-CD2 4.49Å
43G95.7Very high97.6Very high42 Ų4251.8 Ų51.843%0.43327%0.267SS..G310 helixtrans57.6-137.1179.900000112.5N41 C45 I46N41-G43 PolarHBondContact O-N 3.23Å; G43-C45 PolarHBondContact O-N 2.93Å; G43-I46 WeakPolarHBondContact O-CB 3.32Å; G43-I46 WeakPolarHBondContact O-CG2 3.43Å; G43-I46 PolarHBondContact O-N 3.4Å; G43-I46 VanDerWaalsContact O-N 3.14Å
44T97.2Very high97.5Very high66 Ų6655.7 Ų55.741%0.40529%0.291SS..G310 helixtrans-65.5-18-175.535.20000114.5I46 R47 M61 I66T44-I46 PolarHBondContact O-N 3.38Å; T44-R47 PolarHBondContact O-N 3.46Å; T44-M61 WeakPolarHBondContact O-CE 3.17Å; T44-I66 VanDerWaalsContact CB-O 3.24Å; T44-I66 WeakPolarHBondContact CB-O 3.09Å; T44-I66 PolarHBondContact OG1-O 3.13Å
45C97.5Very high97.4Very high1 Ų155 Ų551%0.00729%0.289CS..G310 helixtrans-59.8-22.6172.2-70.70000113.1I42 G43 R47 L48 C67 M71I42-C45 HydrophobicContact CB-CB 4.29Å; I42-C45 HydrophobicContact CD1-CB 3.53Å; I42-C45 HydrophobicContact CG1-CB 3.86Å; I42-C45 WeakPolarHBondContact O-CB 3.5Å; I42-C45 PolarHBondContact O-N 3.1Å; G43-C45 PolarHBondContact O-N 2.93Å; C45-R47 PolarHBondContact O-N 3.08Å; C45-L48 WeakPolarHBondContact O-CB 3.21Å; C45-L48 PolarHBondContact O-N 2.88Å; C45-C67 HydrophobicContact CB-CB 3.88Å; C45-C67 WeakPolarHBondContact CB-SG 3.25Å; C45-C67 WeakPolarHBondContact SG-CA 3.36Å; C45-C67 WeakPolarHBondContact SG-CB 3.41Å; C45-C67 CovalentContact SG-SG 2.03Å; C45-C67 PolarHBondContact SG-SG 3.43Å; C45-M71 HydrophobicContact CB-CB 4.31Å; C45-M71 WeakPolarHBondContact SG-CB 3.43Å
46I98.3Very high97.3Very high44 Ų4456.6 Ų56.623%0.22630%0.301CS..G310 helixtrans-54.8-27.3179.3-166.7171.6000113C37 E38 I42 G43 T44 L48 C49C37-I46 HydrophobicContact CB-CG1 4.02Å; E38-I46 HydrophobicContact CB-CD1 4.39Å; E38-I46 HydrophobicContact CG-CD1 3.41Å; E38-I46 VanDerWaalsContact CG-CD1 3.41Å; I42-I46 HydrophobicContact CG1-CB 4.29Å; G43-I46 WeakPolarHBondContact O-CB 3.32Å; G43-I46 WeakPolarHBondContact O-CG2 3.43Å; G43-I46 PolarHBondContact O-N 3.4Å; G43-I46 VanDerWaalsContact O-N 3.14Å; T44-I46 PolarHBondContact O-N 3.38Å; I46-L48 PolarHBondContact O-N 2.8Å; I46-L48 VanDerWaalsContact O-N 3.11Å; I46-C49 WeakPolarHBondContact O-CB 3.41Å; I46-C49 PolarHBondContact O-N 2.88Å
47R97.8Very high97.2Very high153 Ų15358.8 Ų58.858%0.57731%0.31SS*.G310 helixtrans-63.5-15.8176.7-59.2177.1-177.2179.41.4113.3T44 C45 H50 M57 M61T44-R47 PolarHBondContact O-N 3.46Å; C45-R47 PolarHBondContact O-N 3.08Å; R47-H50 PolarHBondContact O-CD2 3.45Å; R47-H50 PolarHBondContact O-NE2 3.15Å; R47-M57 HydrophobicContact CB-CE 4.01Å; R47-M57 WeakPolarHBondContact O-CE 3.44Å; R47-M61 HydrophobicContact CB-CE 3.79Å; R47-M61 HydrophobicContact CB-SD 3.94Å; R47-M61 HydrophobicContact CG-CE 4.47Å
48L98.2Very high97.1Very high0 Ų058.8 Ų58.80%031%0.31CS..G310 helixtrans-97.1-3.1174.4-61.5174.8000113C45 I46 H50 V53 M57 M61 F62 C67 Y75C45-L48 WeakPolarHBondContact O-CB 3.21Å; C45-L48 PolarHBondContact O-N 2.88Å; I46-L48 PolarHBondContact O-N 2.8Å; I46-L48 VanDerWaalsContact O-N 3.11Å; L48-H50 PolarHBondContact O-N 2.76Å; L48-V53 HydrophobicContact CB-CG2 4.25Å; L48-V53 HydrophobicContact CD2-CG1 3.71Å; L48-V53 HydrophobicContact CD2-CG2 4.08Å; L48-V53 VanDerWaalsContact O-CG2 3.3Å; L48-V53 WeakPolarHBondContact O-CG2 3.34Å; L48-M57 HydrophobicContact CD2-CE 4.24Å; L48-M57 HydrophobicContact CD2-CG 4.03Å; L48-M61 HydrophobicContact CD1-CB 3.98Å; L48-M61 HydrophobicContact CD1-CE 4.17Å; L48-M61 HydrophobicContact CD1-SD 4.04Å; L48-M61 HydrophobicContact CD2-CB 4.36Å; L48-M61 HydrophobicContact CD2-CE 4.45Å; L48-M61 HydrophobicContact CD2-CG 4.29Å; L48-M61 HydrophobicContact CD2-SD 3.4Å; L48-M61 WeakPolarHBondContact CD2-SD 3.38Å; L48-M61 HydrophobicContact CG-CB 4.41Å; L48-M61 HydrophobicContact CG-CE 3.83Å; L48-M61 HydrophobicContact CG-SD 3.44Å; L48-M61 WeakPolarHBondContact CG-SD 3.48Å; L48-F62 HydrophobicContact CD1-CD1 4.02Å; L48-F62 HydrophobicContact CD1-CE1 3.44Å; L48-F62 VanDerWaalsContact CD1-CE1 3.44Å; L48-F62 HydrophobicContact CD1-CZ 4.28Å; L48-C67 HydrophobicContact CD1-CB 4.06Å; L48-Y75 HydrophobicContact CB-CD2 4.19Å; L48-Y75 HydrophobicContact CB-CE2 3.46Å; L48-Y75 VanDerWaalsContact CB-CE2 3.46Å; L48-Y75 WeakPolarHBondContact O-CE2 3.23Å
49C98.3Very high97.1Very high1 Ų157 Ų571%0.00730%0.301CS..  trans-79.560.8-172.6-64.50000113.1F33 C37 I42 I46F33-C49 HydrophobicContact CD2-CB 3.9Å; F33-C49 HydrophobicContact CE2-CB 3.9Å; F33-C49 HydrophobicContact CG-CB 4.25Å; F33-C49 HydrophobicContact CZ-CB 4.28Å; C37-C49 HydrophobicContact CB-CB 3.65Å; C37-C49 WeakPolarHBondContact CB-SG 3.34Å; C37-C49 WeakPolarHBondContact SG-CB 3.41Å; C37-C49 CovalentContact SG-SG 2.02Å; C37-C49 PolarHBondContact SG-SG 2.97Å; I42-C49 WeakPolarHBondContact CD1-SG 3.27Å; I46-C49 WeakPolarHBondContact O-CB 3.41Å; I46-C49 PolarHBondContact O-N 2.88Å
50H98.5Very high97Very high49 Ų4956.1 Ų56.123%0.22729%0.292CS..SBendtrans-156.5150.317362.1102.2000108.5N30 R47 L48 D52 V53N30-H50 HydrophobicContact CB-CB 4.32Å; N30-H50 WeakPolarHBondContact OD1-CA 3.36Å; R47-H50 PolarHBondContact O-CD2 3.45Å; R47-H50 PolarHBondContact O-NE2 3.15Å; L48-H50 PolarHBondContact O-N 2.76Å; H50-D52 IonicContact CE1-OD1 3.54Å; H50-D52 IonicContact CG-OD1 3.85Å; H50-D52 IonicContact ND1-OD1 3.74Å; H50-D52 PolarHBondContact ND1-OD1 2.99Å; H50-V53 WeakPolarHBondContact CE1-CG2 3.27Å; H50-V53 PolarHBondContact ND1-N 2.79Å; H50-V53 VanDerWaalsContact NE2-CG2 3.32Å; H50-V53 WeakPolarHBondContact NE2-CG2 3.3Å; H50-V53 VanDerWaalsContact O-CG2 3.27Å; H50-V53 WeakPolarHBondContact O-CG2 3.37Å
51Y98.3Very high97.1Very high17 Ų1753.5 Ų53.57%0.06728%0.278CS..THydrogen-bonded Turntrans-81-15.9-172.3-68.4-80.4000114.1A29 N30 F33 V53 A79 L130 H133 W134 L137A29-Y51 HydrophobicContact CB-CD2 3.6Å; A29-Y51 HydrophobicContact CB-CE2 3.5Å; A29-Y51 VanDerWaalsContact CB-CE2 3.5Å; A29-Y51 WeakPolarHBondContact O-CE2 3.32Å; N30-Y51 WeakPolarHBondContact OD1-CD2 3.4Å; N30-Y51 PolarHBondContact OD1-N 3Å; F33-Y51 HydrophobicContact CB-CE2 3.97Å; F33-Y51 HydrophobicContact CD1-CD1 4.45Å; F33-Y51 HydrophobicContact CD1-CD2 4.06Å; F33-Y51 HydrophobicContact CD1-CE1 4.22Å; F33-Y51 AromaticContact CD1-CE2 3.79Å; F33-Y51 HydrophobicContact CD1-CE2 3.79Å; F33-Y51 HydrophobicContact CD1-CG 4.39Å; F33-Y51 AromaticContact CD1-CZ 3.91Å; F33-Y51 HydrophobicContact CE1-CE1 4.47Å; F33-Y51 HydrophobicContact CG-CE2 4.27Å; Y51-V53 VanDerWaalsContact C-N 3.31Å; Y51-V53 PolarHBondContact O-N 2.96Å; Y51-A79 WeakPolarHBondContact CE1-O 3.49Å; Y51-A79 PolarHBondContact OH-O 3.49Å; Y51-L130 HydrophobicContact CD1-CB 4.06Å; Y51-L130 HydrophobicContact CD1-CD2 4.1Å; Y51-L130 WeakPolarHBondContact CD1-O 3.25Å; Y51-L130 HydrophobicContact CE1-CD2 4.34Å; Y51-H133 HydrophobicContact CE1-CB 4.18Å; Y51-W134 HydrophobicContact CD1-CB 3.58Å; Y51-W134 HydrophobicContact CD1-CG 4.24Å; Y51-W134 HydrophobicContact CD2-CB 4.45Å; Y51-W134 HydrophobicContact CD2-CG 4.31Å; Y51-W134 HydrophobicContact CE1-CB 3.6Å; Y51-W134 HydrophobicContact CE1-CG 4.41Å; Y51-W134 HydrophobicContact CE2-CB 4.47Å; Y51-W134 HydrophobicContact CE2-CG 4.48Å; Y51-W134 HydrophobicContact CG-CB 4Å; Y51-W134 HydrophobicContact CG-CD2 4.45Å; Y51-W134 HydrophobicContact CG-CG 4.16Å; Y51-L137 HydrophobicContact CE2-CD1 4.17Å; Y51-L137 WeakPolarHBondContact OH-CD1 3.49Å
52D96.8Very high97.1Very high91 Ų9147.7 Ų47.749%0.48725%0.247SC..THydrogen-bonded Turntrans-92.722.2178.859.1-33.9000113.5L26 N30 H50 T54L26-D52 HydrophobicContact CD2-CB 4.16Å; N30-D52 PolarHBondContact ND2-OD1 2.9Å; H50-D52 IonicContact CE1-OD1 3.54Å; H50-D52 IonicContact CG-OD1 3.85Å; H50-D52 IonicContact ND1-OD1 3.74Å; H50-D52 PolarHBondContact ND1-OD1 2.99Å; D52-T54 PolarHBondContact O-N 3.37Å
53V97.4Very high97.1Very high9 Ų952.3 Ų52.36%0.05527%0.272CS..  trans-58.3133.9169.6167.60000111.1L48 H50 Y51 A58 L126 L130L48-V53 HydrophobicContact CB-CG2 4.25Å; L48-V53 HydrophobicContact CD2-CG1 3.71Å; L48-V53 HydrophobicContact CD2-CG2 4.08Å; L48-V53 VanDerWaalsContact O-CG2 3.3Å; L48-V53 WeakPolarHBondContact O-CG2 3.34Å; H50-V53 WeakPolarHBondContact CE1-CG2 3.27Å; H50-V53 PolarHBondContact ND1-N 2.79Å; H50-V53 VanDerWaalsContact NE2-CG2 3.32Å; H50-V53 WeakPolarHBondContact NE2-CG2 3.3Å; H50-V53 VanDerWaalsContact O-CG2 3.27Å; H50-V53 WeakPolarHBondContact O-CG2 3.37Å; Y51-V53 VanDerWaalsContact C-N 3.31Å; Y51-V53 PolarHBondContact O-N 2.96Å; V53-A58 HydrophobicContact CG1-CB 3.98Å; V53-L126 HydrophobicContact CG1-CD2 4.44Å; V53-L130 HydrophobicContact CB-CD1 4.28Å
54T96Very high97.1Very high83 Ų8355.3 Ų55.351%0.50928%0.278SS..  trans-78.6147172.670.80000111.7D52 N56 M57 A58D52-T54 PolarHBondContact O-N 3.37Å; T54-N56 PolarHBondContact O-N 3.05Å; T54-M57 PolarHBondContact O-N 3.35Å; T54-M57 VanDerWaalsContact O-N 3.15Å; T54-M57 WeakPolarHBondContact OG1-CB 3.4Å; T54-M57 PolarHBondContact OG1-N 3.5Å; T54-A58 PolarHBondContact O-N 3.25Å
55L95Very high97Very high57 Ų5754 Ų5430%0.29828%0.278SS..Hα-helixtrans-58.2-32.4175.7-68.8178.1000112.9K59 A123 L126 S127L55-K59 WeakPolarHBondContact O-CB 3.21Å; L55-K59 VanDerWaalsContact O-CG 3.31Å; L55-K59 WeakPolarHBondContact O-CG 3.43Å; L55-K59 PolarHBondContact O-N 3.31Å; L55-A123 WeakPolarHBondContact CD2-O 3.32Å; L55-L126 HydrophobicContact CD2-CB 4.4Å; L55-S127 WeakPolarHBondContact CD2-OG 3.44Å; L55-S127 WeakPolarHBondContact CG-OG 3.49Å
56N97.3Very high97Very high133 Ų13356 Ų5671%0.71129%0.288SS*.Hα-helixtrans-67.5-44.1177.7-72.750.4000111.3T54 H60T54-N56 PolarHBondContact O-N 3.05Å; N56-H60 VanDerWaalsContact O-CB 3.3Å; N56-H60 WeakPolarHBondContact O-CB 3.07Å; N56-H60 PolarHBondContact O-N 2.75Å
57M96.7Very high97Very high65 Ų6554 Ų5432%0.3228%0.277SS..Hα-helixtrans-64.2-44.7175.7-178.3174.1176.700111.3R47 L48 T54 H60 M61R47-M57 HydrophobicContact CB-CE 4.01Å; R47-M57 WeakPolarHBondContact O-CE 3.44Å; L48-M57 HydrophobicContact CD2-CE 4.24Å; L48-M57 HydrophobicContact CD2-CG 4.03Å; T54-M57 PolarHBondContact O-N 3.35Å; T54-M57 VanDerWaalsContact O-N 3.15Å; T54-M57 WeakPolarHBondContact OG1-CB 3.4Å; T54-M57 PolarHBondContact OG1-N 3.5Å; M57-H60 PolarHBondContact O-N 3.09Å; M57-M61 HydrophobicContact CE-SD 3.88Å; M57-M61 HydrophobicContact CG-SD 4.29Å; M57-M61 WeakPolarHBondContact O-CB 3.42Å; M57-M61 WeakPolarHBondContact O-CG 3.36Å; M57-M61 PolarHBondContact O-N 3.14Å
58A96.4Very high96.9Very high0 Ų049 Ų490%026%0.264CS..Hα-helixtrans-57.7-50.9176.400000112.4V53 T54 M61 F62 L126V53-A58 HydrophobicContact CG1-CB 3.98Å; T54-A58 PolarHBondContact O-N 3.25Å; A58-M61 PolarHBondContact O-N 3.11Å; A58-F62 PolarHBondContact O-N 2.05Å; A58-L126 HydrophobicContact CB-CB 4.38Å; A58-L126 HydrophobicContact CB-CD2 3.43Å; A58-L126 VanDerWaalsContact CB-CD2 3.43Å
59K96.8Very high96.7Very high74 Ų7450 Ų5032%0.32227%0.27SS..Hα-helixtrans-58.1-51.5175.8-77.4-174.6178.274.90111L55 M61 F62 D63 A123L55-K59 WeakPolarHBondContact O-CB 3.21Å; L55-K59 VanDerWaalsContact O-CG 3.31Å; L55-K59 WeakPolarHBondContact O-CG 3.43Å; L55-K59 PolarHBondContact O-N 3.31Å; K59-M61 VanDerWaalsContact C-N 3.26Å; K59-M61 PolarHBondContact O-N 3.41Å; K59-F62 PolarHBondContact O-N 3.35Å; K59-D63 WeakPolarHBondContact O-CB 3.37Å; K59-D63 PolarHBondContact O-N 3.22Å; K59-A123 HydrophobicContact CG-CB 3.94Å
60H97.5Very high96.4Very high103 Ų10356.4 Ų56.448%0.47730%0.3SS..Hα-helixtrans-54-45.1178.6177.567.3000111.9N56 M57 N64 I66N56-H60 VanDerWaalsContact O-CB 3.3Å; N56-H60 WeakPolarHBondContact O-CB 3.07Å; N56-H60 PolarHBondContact O-N 2.75Å; M57-H60 PolarHBondContact O-N 3.09Å; H60-N64 PolarHBondContact ND1-ND2 2.93Å; H60-N64 VanDerWaalsContact O-CB 3.3Å; H60-N64 WeakPolarHBondContact O-CB 3.01Å; H60-N64 PolarHBondContact O-N 3.09Å; H60-N64 PolarHBondContact O-ND2 3.32Å; H60-I66 WeakPolarHBondContact NE2-CD1 3.31Å
61M97.6Very high96.2Very high5 Ų556.8 Ų56.83%0.02530%0.302CS..Hα-helixtrans-71.1-39-178.1-74.8-169.666.700113.8T44 R47 L48 M57 A58 K59 G65 I66 C67T44-M61 WeakPolarHBondContact O-CE 3.17Å; R47-M61 HydrophobicContact CB-CE 3.79Å; R47-M61 HydrophobicContact CB-SD 3.94Å; R47-M61 HydrophobicContact CG-CE 4.47Å; L48-M61 HydrophobicContact CD1-CB 3.98Å; L48-M61 HydrophobicContact CD1-CE 4.17Å; L48-M61 HydrophobicContact CD1-SD 4.04Å; L48-M61 HydrophobicContact CD2-CB 4.36Å; L48-M61 HydrophobicContact CD2-CE 4.45Å; L48-M61 HydrophobicContact CD2-CG 4.29Å; L48-M61 HydrophobicContact CD2-SD 3.4Å; L48-M61 WeakPolarHBondContact CD2-SD 3.38Å; L48-M61 HydrophobicContact CG-CB 4.41Å; L48-M61 HydrophobicContact CG-CE 3.83Å; L48-M61 HydrophobicContact CG-SD 3.44Å; L48-M61 WeakPolarHBondContact CG-SD 3.48Å; M57-M61 HydrophobicContact CE-SD 3.88Å; M57-M61 HydrophobicContact CG-SD 4.29Å; M57-M61 WeakPolarHBondContact O-CB 3.42Å; M57-M61 WeakPolarHBondContact O-CG 3.36Å; M57-M61 PolarHBondContact O-N 3.14Å; A58-M61 PolarHBondContact O-N 3.11Å; K59-M61 VanDerWaalsContact C-N 3.26Å; K59-M61 PolarHBondContact O-N 3.41Å; M61-G65 PolarHBondContact O-N 3.23Å; M61-I66 HydrophobicContact CB-CB 4.38Å; M61-I66 HydrophobicContact CE-CG2 3.79Å; M61-I66 HydrophobicContact CG-CB 4.34Å; M61-I66 HydrophobicContact CG-CG2 4.31Å; M61-I66 PolarHBondContact O-N 3.48Å; M61-C67 HydrophobicContact CB-CB 4.32Å; M61-C67 HydrophobicContact CE-CB 4.18Å; M61-C67 PolarHBondContact O-N 2.84Å
62F96Very high96Very high6 Ų656 Ų563%0.02630%0.299CS..Hα-helixtrans-77.7-44.8178.7-67.51.8000111.9L48 A58 K59 N64 G65 C67 I72 Y75 F105 V120 A123 L126L48-F62 HydrophobicContact CD1-CD1 4.02Å; L48-F62 HydrophobicContact CD1-CE1 3.44Å; L48-F62 VanDerWaalsContact CD1-CE1 3.44Å; L48-F62 HydrophobicContact CD1-CZ 4.28Å; A58-F62 PolarHBondContact O-N 2.05Å; K59-F62 PolarHBondContact O-N 3.35Å; F62-N64 VanDerWaalsContact C-N 3.28Å; F62-N64 PolarHBondContact O-N 2.98Å; F62-G65 PolarHBondContact O-N 3.36Å; F62-G65 VanDerWaalsContact O-N 3.1Å; F62-C67 HydrophobicContact CD1-CB 3.86Å; F62-C67 HydrophobicContact CE1-CB 3.97Å; F62-I72 HydrophobicContact CD1-CD1 4.37Å; F62-I72 HydrophobicContact CD2-CD1 4.23Å; F62-I72 HydrophobicContact CE1-CD1 4.3Å; F62-I72 HydrophobicContact CE1-CG1 4.24Å; F62-I72 HydrophobicContact CE2-CD1 4.24Å; F62-I72 HydrophobicContact CG-CD1 4.35Å; F62-I72 HydrophobicContact CZ-CD1 4.25Å; F62-I72 HydrophobicContact CZ-CG1 4.32Å; F62-Y75 HydrophobicContact CZ-CE1 4.38Å; F62-F105 AromaticContact CE2-CE1 3.77Å; F62-F105 HydrophobicContact CE2-CE1 3.77Å; F62-F105 HydrophobicContact CE2-CZ 4.32Å; F62-F105 HydrophobicContact CZ-CE1 4.35Å; F62-V120 HydrophobicContact CB-CB 4.4Å; F62-V120 HydrophobicContact CB-CG1 3.61Å; F62-V120 HydrophobicContact CB-CG2 4.37Å; F62-A123 HydrophobicContact CB-CB 4.49Å; F62-A123 HydrophobicContact CD2-CB 3.65Å; F62-A123 HydrophobicContact CE2-CB 4.2Å; F62-A123 HydrophobicContact CG-CB 4.34Å; F62-L126 HydrophobicContact CZ-CD2 4.43Å
63D95.9Very high95.9Very high100 Ų10054.2 Ų54.254%0.53529%0.293SS..Hα-helixtrans-64.7-33.8-176.6-65.5-24.6000111.9K59 V120K59-D63 WeakPolarHBondContact O-CB 3.37Å; K59-D63 PolarHBondContact O-N 3.22Å; D63-V120 VanDerWaalsContact OD1-CG1 3.25Å; D63-V120 WeakPolarHBondContact OD1-CG1 2.99Å
64N96.6Very high95.7Very high105 Ų10557.9 Ų57.956%0.56131%0.308SS*.THydrogen-bonded Turntrans-93.36.8178.2-63.7-85.8000113.2H60 F62 I66H60-N64 PolarHBondContact ND1-ND2 2.93Å; H60-N64 VanDerWaalsContact O-CB 3.3Å; H60-N64 WeakPolarHBondContact O-CB 3.01Å; H60-N64 PolarHBondContact O-N 3.09Å; H60-N64 PolarHBondContact O-ND2 3.32Å; F62-N64 VanDerWaalsContact C-N 3.28Å; F62-N64 PolarHBondContact O-N 2.98Å; N64-I66 HydrophobicContact CB-CD1 4.26Å; N64-I66 HydrophobicContact CB-CG1 4.12Å; N64-I66 PolarHBondContact O-N 3.31Å; N64-I66 VanDerWaalsContact O-N 3.11Å
65G94.9Very high95.7Very high38 Ų3854 Ų5439%0.39228%0.284SS..THydrogen-bonded Turntrans62.218.7-179.300000114.2M61 F62 C67 T68M61-G65 PolarHBondContact O-N 3.23Å; F62-G65 PolarHBondContact O-N 3.36Å; F62-G65 VanDerWaalsContact O-N 3.1Å; G65-C67 VanDerWaalsContact C-N 3.33Å; G65-T68 VanDerWaalsContact O-CG2 3.3Å; G65-T68 WeakPolarHBondContact O-CG2 3.3Å
66I97.5Very high95.8Very high43 Ų4351.2 Ų51.222%0.22127%0.27CS..SBendtrans-67.4-41.2174-59.6171.6000109T44 H60 M61 N64T44-I66 VanDerWaalsContact CB-O 3.24Å; T44-I66 WeakPolarHBondContact CB-O 3.09Å; T44-I66 PolarHBondContact OG1-O 3.13Å; H60-I66 WeakPolarHBondContact NE2-CD1 3.31Å; M61-I66 HydrophobicContact CB-CB 4.38Å; M61-I66 HydrophobicContact CE-CG2 3.79Å; M61-I66 HydrophobicContact CG-CB 4.34Å; M61-I66 HydrophobicContact CG-CG2 4.31Å; M61-I66 PolarHBondContact O-N 3.48Å; N64-I66 HydrophobicContact CB-CD1 4.26Å; N64-I66 HydrophobicContact CB-CG1 4.12Å; N64-I66 PolarHBondContact O-N 3.31Å; N64-I66 VanDerWaalsContact O-N 3.11Å
67C97.5Very high95.7Very high1 Ų150.5 Ų50.51%0.00726%0.258CS..SBendtrans-100.8104.8160.6-179.40000108.2C45 L48 M61 F62 G65C45-C67 HydrophobicContact CB-CB 3.88Å; C45-C67 WeakPolarHBondContact CB-SG 3.25Å; C45-C67 WeakPolarHBondContact SG-CA 3.36Å; C45-C67 WeakPolarHBondContact SG-CB 3.41Å; C45-C67 CovalentContact SG-SG 2.03Å; C45-C67 PolarHBondContact SG-SG 3.43Å; L48-C67 HydrophobicContact CD1-CB 4.06Å; M61-C67 HydrophobicContact CB-CB 4.32Å; M61-C67 HydrophobicContact CE-CB 4.18Å; M61-C67 PolarHBondContact O-N 2.84Å; F62-C67 HydrophobicContact CD1-CB 3.86Å; F62-C67 HydrophobicContact CE1-CB 3.97Å; G65-C67 VanDerWaalsContact C-N 3.33Å
68T95.3Very high95.7Very high48 Ų4847.4 Ų47.429%0.29424%0.242SC..  trans-74.2153-172.178.50000111.1G65 E70 M71 I72G65-T68 VanDerWaalsContact O-CG2 3.3Å; G65-T68 WeakPolarHBondContact O-CG2 3.3Å; T68-E70 WeakPolarHBondContact CB-OE2 3.47Å; T68-E70 PolarHBondContact O-N 3.01Å; T68-E70 VanDerWaalsContact O-N 3.13Å; T68-E70 PolarHBondContact OG1-OE2 2.82Å; T68-M71 PolarHBondContact O-N 3.06Å; T68-I72 PolarHBondContact O-N 2.94Å
69V93.9Very high95.7Very high22 Ų2247.4 Ų47.413%0.13324%0.242CC..THydrogen-bonded Turntrans-54.7-33.7-179.5168.50000112.2M71 I72 P73 I115 T117 V120V69-M71 VanDerWaalsContact C-N 3.27Å; V69-M71 PolarHBondContact O-N 3.4Å; V69-I72 PolarHBondContact O-N 3.35Å; V69-P73 VanDerWaalsContact O-CD 3.25Å; V69-P73 WeakPolarHBondContact O-CD 3.48Å; V69-I115 HydrophobicContact CG1-CB 4.42Å; V69-I115 HydrophobicContact CG1-CG2 4.06Å; V69-I115 WeakPolarHBondContact CG1-O 3.47Å; V69-T117 HydrophobicContact CG2-CG2 4.08Å; V69-V120 HydrophobicContact CG2-CG2 3.93Å
70E92.9Very high95.7Very high135 Ų13543.9 Ų43.963%0.63123%0.227SC*.THydrogen-bonded Turntrans-68.2-25.6179.1-56.673-156.100112.8T68T68-E70 WeakPolarHBondContact CB-OE2 3.47Å; T68-E70 PolarHBondContact O-N 3.01Å; T68-E70 VanDerWaalsContact O-N 3.13Å; T68-E70 PolarHBondContact OG1-OE2 2.82Å
71M94.7Very high95.5Very high57 Ų5742.9 Ų42.928%0.28122%0.223SC..THydrogen-bonded Turntrans-94.6-21-179.1-65-59.816500112.9I42 C45 T68 V69 P73 K74 Y75I42-M71 HydrophobicContact CB-SD 4.44Å; C45-M71 HydrophobicContact CB-CB 4.31Å; C45-M71 WeakPolarHBondContact SG-CB 3.43Å; T68-M71 PolarHBondContact O-N 3.06Å; V69-M71 VanDerWaalsContact C-N 3.27Å; V69-M71 PolarHBondContact O-N 3.4Å; M71-P73 VanDerWaalsContact C-CD 3.49Å; M71-P73 VanDerWaalsContact C-N 3.34Å; M71-K74 PolarHBondContact O-N 3.38Å; M71-K74 VanDerWaalsContact O-N 3.1Å; M71-K74 HydrophobicContact SD-CD 4.38Å; M71-Y75 PolarHBondContact O-N 2.99Å
72I94.4Very high95.2Very high0 Ų043.5 Ų43.50%023%0.231CC..Hα-helixtrans-53.1-42.5178-63.8177.1000112.6F62 T68 V69 K74 Y75 L76 F105 I115F62-I72 HydrophobicContact CD1-CD1 4.37Å; F62-I72 HydrophobicContact CD2-CD1 4.23Å; F62-I72 HydrophobicContact CE1-CD1 4.3Å; F62-I72 HydrophobicContact CE1-CG1 4.24Å; F62-I72 HydrophobicContact CE2-CD1 4.24Å; F62-I72 HydrophobicContact CG-CD1 4.35Å; F62-I72 HydrophobicContact CZ-CD1 4.25Å; F62-I72 HydrophobicContact CZ-CG1 4.32Å; T68-I72 PolarHBondContact O-N 2.94Å; V69-I72 PolarHBondContact O-N 3.35Å; I72-K74 VanDerWaalsContact C-N 3.34Å; I72-K74 PolarHBondContact O-N 3.41Å; I72-Y75 WeakPolarHBondContact O-CB 3.37Å; I72-Y75 PolarHBondContact O-N 2.88Å; I72-L76 HydrophobicContact CG2-CD1 3.69Å; I72-L76 HydrophobicContact CG2-CG 4.02Å; I72-L76 WeakPolarHBondContact O-CG 3.02Å; I72-L76 PolarHBondContact O-N 2.77Å; I72-F105 HydrophobicContact CD1-CZ 4.35Å; I72-F105 HydrophobicContact CG2-CE1 3.81Å; I72-F105 HydrophobicContact CG2-CE2 4.29Å; I72-F105 HydrophobicContact CG2-CZ 3.6Å; I72-I115 HydrophobicContact CB-CD1 4.13Å; I72-I115 HydrophobicContact CB-CG2 4.34Å; I72-I115 HydrophobicContact CD1-CG2 4.36Å; I72-I115 HydrophobicContact CG2-CD1 3.53Å; I72-I115 HydrophobicContact CG2-CG2 4.25Å
73P93.9Very high95.1Very high54 Ų5446.1 Ų46.135%0.35124%0.242SC..Hα-helixtrans-57.3-43.2176.7-26.834.4000113.5V69 M71 L76 Y77 I115V69-P73 VanDerWaalsContact O-CD 3.25Å; V69-P73 WeakPolarHBondContact O-CD 3.48Å; M71-P73 VanDerWaalsContact C-CD 3.49Å; M71-P73 VanDerWaalsContact C-N 3.34Å; P73-L76 PolarHBondContact O-N 2.93Å; P73-Y77 WeakPolarHBondContact O-CB 3.32Å; P73-Y77 PolarHBondContact O-N 2.76Å; P73-I115 HydrophobicContact CG-CB 4.41Å; P73-I115 HydrophobicContact CG-CD1 3.93Å; P73-I115 HydrophobicContact CG-CG1 4.21Å
74K94.2Very high94.9Very high87 Ų8745.3 Ų45.338%0.37824%0.238SC..Hα-helixtrans-68.4-41.1177.4-66.1-179.2174.3-174.80111.7L40 I42 M71 I72 Y77 C78L40-K74 HydrophobicContact CB-CD 4.4Å; L40-K74 HydrophobicContact CD1-CB 4.1Å; L40-K74 HydrophobicContact CD1-CG 4.41Å; L40-K74 PolarHBondContact O-NZ 3.19Å; I42-K74 HydrophobicContact CG2-CB 3.58Å; I42-K74 HydrophobicContact CG2-CD 3.84Å; I42-K74 HydrophobicContact CG2-CG 4.41Å; M71-K74 PolarHBondContact O-N 3.38Å; M71-K74 VanDerWaalsContact O-N 3.1Å; M71-K74 HydrophobicContact SD-CD 4.38Å; I72-K74 VanDerWaalsContact C-N 3.34Å; I72-K74 PolarHBondContact O-N 3.41Å; K74-Y77 WeakPolarHBondContact O-CB 3.33Å; K74-Y77 PolarHBondContact O-N 3.14Å; K74-C78 PolarHBondContact O-N 3.01Å
75Y96Very high94.8Very high0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-56.5-49.4173.9164.8-98.3000111.6F33 I42 L48 F62 M71 I72 C78 A79 L126F33-Y75 HydrophobicContact CE1-CE2 4.23Å; F33-Y75 HydrophobicContact CE2-CD2 4.13Å; F33-Y75 HydrophobicContact CE2-CE2 4.11Å; F33-Y75 WeakPolarHBondContact CE2-O 3.33Å; F33-Y75 AromaticContact CZ-CD2 3.83Å; F33-Y75 HydrophobicContact CZ-CD2 3.83Å; F33-Y75 AromaticContact CZ-CE2 3.37Å; F33-Y75 HydrophobicContact CZ-CE2 3.37Å; F33-Y75 AromaticContact CZ-CZ 3.86Å; I42-Y75 HydrophobicContact CD1-CD2 4.49Å; L48-Y75 HydrophobicContact CB-CD2 4.19Å; L48-Y75 HydrophobicContact CB-CE2 3.46Å; L48-Y75 VanDerWaalsContact CB-CE2 3.46Å; L48-Y75 WeakPolarHBondContact O-CE2 3.23Å; F62-Y75 HydrophobicContact CZ-CE1 4.38Å; M71-Y75 PolarHBondContact O-N 2.99Å; I72-Y75 WeakPolarHBondContact O-CB 3.37Å; I72-Y75 PolarHBondContact O-N 2.88Å; Y75-C78 PolarHBondContact O-N 3.43Å; Y75-A79 WeakPolarHBondContact O-CB 3.35Å; Y75-A79 PolarHBondContact O-N 2.83Å; Y75-L126 HydrophobicContact CE1-CD1 4.19Å
76L96Very high94.8Very high0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-66.8-37.7178.3-67.1169.4000112.3I72 P73 A79 S80 F105 I115I72-L76 HydrophobicContact CG2-CD1 3.69Å; I72-L76 HydrophobicContact CG2-CG 4.02Å; I72-L76 WeakPolarHBondContact O-CG 3.02Å; I72-L76 PolarHBondContact O-N 2.77Å; P73-L76 PolarHBondContact O-N 2.93Å; L76-A79 PolarHBondContact O-N 3.37Å; L76-S80 WeakPolarHBondContact O-CB 3.37Å; L76-S80 PolarHBondContact O-N 2.04Å; L76-S80 VanDerWaalsContact O-N 3.1Å; L76-S80 PolarHBondContact O-OG 2.73Å; L76-F105 HydrophobicContact CD1-CB 4.25Å; L76-F105 HydrophobicContact CD1-CD1 3.97Å; L76-F105 HydrophobicContact CD1-CD2 4.13Å; L76-F105 HydrophobicContact CD1-CE1 4.3Å; L76-F105 HydrophobicContact CD1-CE2 4.46Å; L76-F105 HydrophobicContact CD1-CG 3.87Å; L76-F105 HydrophobicContact CD2-CB 4.23Å; L76-F105 HydrophobicContact CD2-CD1 3.75Å; L76-F105 HydrophobicContact CD2-CE1 4.39Å; L76-F105 HydrophobicContact CD2-CG 4.2Å; L76-F105 HydrophobicContact CG-CD1 4.39Å; L76-I115 HydrophobicContact CD1-CD1 3.62Å
77Y95.1Very high94.7Very high117 Ų11747 Ų4746%0.45923%0.232SC..Hα-helixtrans-57.4-49.3173.3175.5-94.3000111.4L40 P73 K74 S80 Q81 G82L40-Y77 HydrophobicContact CD1-CD1 3.95Å; L40-Y77 HydrophobicContact CD1-CE1 4.46Å; P73-Y77 WeakPolarHBondContact O-CB 3.32Å; P73-Y77 PolarHBondContact O-N 2.76Å; K74-Y77 WeakPolarHBondContact O-CB 3.33Å; K74-Y77 PolarHBondContact O-N 3.14Å; Y77-S80 PolarHBondContact O-N 3.21Å; Y77-S80 PolarHBondContact O-OG 2.74Å; Y77-Q81 WeakPolarHBondContact O-CA 3.49Å; Y77-Q81 PolarHBondContact O-N 3.27Å; Y77-G82 PolarHBondContact O-N 3.33Å
78C96.1Very high94.7Very high0 Ų047.1 Ų47.10%023%0.233CC..Hα-helixtrans-65-41.2176.7-71.50000112.7F33 C36 L40 K74 Y75 S80 Q81F33-C78 HydrophobicContact CD2-CB 3.7Å; F33-C78 HydrophobicContact CE2-CB 3.77Å; C36-C78 HydrophobicContact CB-CB 3.57Å; C36-C78 WeakPolarHBondContact CB-SG 3.32Å; C36-C78 PolarHBondContact O-SG 3.28Å; C36-C78 WeakPolarHBondContact SG-CA 3.19Å; C36-C78 WeakPolarHBondContact SG-CB 3Å; C36-C78 CovalentContact SG-SG 2.05Å; C36-C78 PolarHBondContact SG-SG 3.27Å; L40-C78 VanDerWaalsContact CD1-SG 3.54Å; K74-C78 PolarHBondContact O-N 3.01Å; Y75-C78 PolarHBondContact O-N 3.43Å; C78-S80 PolarHBondContact O-N 3.15Å; C78-Q81 PolarHBondContact O-N 3.46Å
79A97.2Very high94.7Very high0 Ų044.9 Ų44.90%022%0.219CC..Hα-helixtrans-58.9-33.6178.800000112.2F33 Y51 Y75 L76 L130 H133F33-A79 HydrophobicContact CD1-CB 4.49Å; F33-A79 HydrophobicContact CD2-CB 4.38Å; F33-A79 HydrophobicContact CE1-CB 3.78Å; F33-A79 VanDerWaalsContact CE2-CA 3.42Å; F33-A79 HydrophobicContact CE2-CB 3.68Å; F33-A79 HydrophobicContact CZ-CB 3.31Å; Y51-A79 WeakPolarHBondContact CE1-O 3.49Å; Y51-A79 PolarHBondContact OH-O 3.49Å; Y75-A79 WeakPolarHBondContact O-CB 3.35Å; Y75-A79 PolarHBondContact O-N 2.83Å; L76-A79 PolarHBondContact O-N 3.37Å; A79-L130 HydrophobicContact CB-CD2 3.96Å; A79-H133 HydrophobicContact CB-CB 4.44Å; A79-H133 VanDerWaalsContact O-CB 3.31Å; A79-H133 WeakPolarHBondContact O-CB 3.4Å
80S96Very high94.8Very high0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-105.9-6-171.957.90000113.6L76 Y77 C78 G82 K83 S108 H133L76-S80 WeakPolarHBondContact O-CB 3.37Å; L76-S80 PolarHBondContact O-N 2.04Å; L76-S80 VanDerWaalsContact O-N 3.1Å; L76-S80 PolarHBondContact O-OG 2.73Å; Y77-S80 PolarHBondContact O-N 3.21Å; Y77-S80 PolarHBondContact O-OG 2.74Å; C78-S80 PolarHBondContact O-N 3.15Å; S80-G82 PolarHBondContact O-N 2.98Å; S80-G82 PolarHBondContact OG-N 3.06Å; S80-K83 VanDerWaalsContact O-CB 3.32Å; S80-K83 WeakPolarHBondContact O-CB 3.48Å; S80-K83 WeakPolarHBondContact O-CG 3.18Å; S80-K83 PolarHBondContact O-N 2.97Å; S80-S108 WeakPolarHBondContact CB-OG 2.98Å; S80-S108 WeakPolarHBondContact OG-CB 3.4Å; S80-S108 PolarHBondContact OG-OG 2.95Å; S80-H133 WeakPolarHBondContact CB-ND1 3.5Å
81Q93.8Very high95Very high83 Ų8347.7 Ų47.739%0.38824%0.237SC..THydrogen-bonded Turntrans50.135.6-165.2-64.1-74.879.700112.6I32 Y77 C78 K83 L137I32-Q81 HydrophobicContact CG2-CG 4.32Å; Y77-Q81 WeakPolarHBondContact O-CA 3.49Å; Y77-Q81 PolarHBondContact O-N 3.27Å; C78-Q81 PolarHBondContact O-N 3.46Å; Q81-K83 VanDerWaalsContact C-N 3.28Å; Q81-K83 PolarHBondContact O-N 2.8Å; Q81-L137 HydrophobicContact CB-CD2 3.92Å; Q81-L137 HydrophobicContact CG-CD2 3.43Å; Q81-L137 VanDerWaalsContact CG-CD2 3.43Å
82G92.3Very high95Very high18 Ų1848.3 Ų48.319%0.18624%0.24CC..THydrogen-bonded Turntrans65.924.1-177.200000114.7Y77 S80 S108 A109Y77-G82 PolarHBondContact O-N 3.33Å; S80-G82 PolarHBondContact O-N 2.98Å; S80-G82 PolarHBondContact OG-N 3.06Å; G82-S108 WeakPolarHBondContact CA-OG 3.32Å; G82-A109 WeakPolarHBondContact O-CA 3.5Å; G82-A109 WeakPolarHBondContact O-CB 3.4Å
83K92.6Very high95.1Very high61 Ų6149 Ų4927%0.26525%0.247SC..  trans-92.1140.9174.8-63.5-175.1178.8-164.30112.2S80 Q81 N85 S108 G136 E138S80-K83 VanDerWaalsContact O-CB 3.32Å; S80-K83 WeakPolarHBondContact O-CB 3.48Å; S80-K83 WeakPolarHBondContact O-CG 3.18Å; S80-K83 PolarHBondContact O-N 2.97Å; Q81-K83 VanDerWaalsContact C-N 3.28Å; Q81-K83 PolarHBondContact O-N 2.8Å; K83-N85 PolarHBondContact O-N 3.18Å; K83-N85 PolarHBondContact O-ND2 3.24Å; K83-S108 PolarHBondContact O-OG 3.35Å; K83-S108 VanDerWaalsContact O-OG 3.1Å; K83-G136 WeakPolarHBondContact CD-O 3.42Å; K83-G136 VanDerWaalsContact CE-O 3.22Å; K83-G136 WeakPolarHBondContact CE-O 3.44Å; K83-G136 PolarHBondContact NZ-O 3.02Å; K83-E138 IonicContact NZ-OE2 3.52Å; K83-E138 PolarHBondContact NZ-OE2 3.36Å
84D92.9Very high95.3Very high83 Ų8346.4 Ų46.444%0.44423%0.23SC..BIsolated β-bridgetrans-73.9120.7170177.64000110.4M86 A109D84-M86 VanDerWaalsContact OD1-CB 3.27Å; D84-M86 WeakPolarHBondContact OD1-CB 3.31Å; D84-M86 WeakPolarHBondContact OD1-CE 3.2Å; D84-M86 VanDerWaalsContact OD1-CG 3.24Å; D84-M86 WeakPolarHBondContact OD1-CG 3.47Å; D84-M86 PolarHBondContact OD1-N 3.12Å; D84-M86 WeakPolarHBondContact OD2-CE 3.36Å; D84-A109 HydrophobicContact CB-CB 4.46Å
85N94.7Very high95.3Very high15 Ų1542.7 Ų42.78%0.0821%0.214CC..  trans-118.220.4179.8-66.8-76.2000112.8K83 Q87 C88 C89 C106 C132 H133K83-N85 PolarHBondContact O-N 3.18Å; K83-N85 PolarHBondContact O-ND2 3.24Å; N85-Q87 VanDerWaalsContact C-N 3.28Å; N85-Q87 PolarHBondContact O-N 2.94Å; N85-C88 PolarHBondContact O-N 3.06Å; N85-C89 PolarHBondContact O-N 3.22Å; N85-C106 PolarHBondContact N-O 3.16Å; N85-C132 HydrophobicContact CB-CB 4.2Å; N85-C132 PolarHBondContact OD1-O 3.4Å; N85-H133 PolarHBondContact ND2-ND1 2.8Å
86M94.5Very high95.2Very high63 Ų6347.1 Ų47.131%0.3124%0.241SC..Hα-helixtrans-57.5-37.3-178.2-78.6-170.1-76.200113.5D84 C89 S90 C106 D107D84-M86 VanDerWaalsContact OD1-CB 3.27Å; D84-M86 WeakPolarHBondContact OD1-CB 3.31Å; D84-M86 WeakPolarHBondContact OD1-CE 3.2Å; D84-M86 VanDerWaalsContact OD1-CG 3.24Å; D84-M86 WeakPolarHBondContact OD1-CG 3.47Å; D84-M86 PolarHBondContact OD1-N 3.12Å; D84-M86 WeakPolarHBondContact OD2-CE 3.36Å; M86-C89 PolarHBondContact O-N 3.01Å; M86-S90 VanDerWaalsContact O-CB 3.29Å; M86-S90 WeakPolarHBondContact O-CB 3.04Å; M86-S90 PolarHBondContact O-N 3.1Å; M86-C106 HydrophobicContact CG-CB 4.28Å; M86-D107 HydrophobicContact CE-CB 4.11Å; M86-D107 HydrophobicContact CG-CB 3.99Å; M86-D107 HydrophobicContact SD-CB 4.15Å
87Q94.7Very high94.9Very high144 Ų14451.5 Ų51.567%0.67329%0.286SS*.Hα-helixtrans-63.7-45.5179.1-168.9-176.557.100111.4Y20 N85 K91Y20-Q87 WeakPolarHBondContact OH-CG 3.46Å; Y20-Q87 PolarHBondContact OH-OE1 2.93Å; N85-Q87 VanDerWaalsContact C-N 3.28Å; N85-Q87 PolarHBondContact O-N 2.94Å; Q87-K91 PolarHBondContact O-N 3.2Å; Q87-K91 VanDerWaalsContact O-N 3.08Å
88C96.8Very high94.4Very high3 Ų349.3 Ų49.32%0.0230%0.299CS..Hα-helixtrans-61.9-50.4174.2178.20000110.8Y20 N85 S90 K91 M92 C132Y20-C88 HydrophobicContact CD1-CB 3.59Å; Y20-C88 HydrophobicContact CD2-CB 4.42Å; Y20-C88 HydrophobicContact CE1-CB 3.6Å; Y20-C88 HydrophobicContact CE2-CB 4.43Å; Y20-C88 HydrophobicContact CG-CB 4.01Å; Y20-C88 VanDerWaalsContact CG-SG 3.57Å; N85-C88 PolarHBondContact O-N 3.06Å; C88-S90 VanDerWaalsContact C-N 3.29Å; C88-S90 PolarHBondContact O-N 3.34Å; C88-K91 CarbonylContact O-C 3.57Å; C88-K91 WeakPolarHBondContact O-CA 3.4Å; C88-K91 WeakPolarHBondContact O-CB 3.29Å; C88-K91 PolarHBondContact O-N 3.02Å; C88-M92 WeakPolarHBondContact O-CG 3.3Å; C88-M92 PolarHBondContact O-N 3.42Å; C88-C132 HydrophobicContact CB-CB 3.6Å; C88-C132 WeakPolarHBondContact CB-SG 3.47Å; C88-C132 WeakPolarHBondContact SG-CA 3.42Å; C88-C132 WeakPolarHBondContact SG-CB 3.34Å; C88-C132 CovalentContact SG-SG 2.04Å; C88-C132 PolarHBondContact SG-SG 2.85Å
89C96.9Very high94.3Very high0 Ų049.6 Ų49.60%030%0.302CS..Hα-helixtrans-58.8-39.7-179.5-81.40000113.4N85 M86 M92 G93 V94 F95 C106 C132N85-C89 PolarHBondContact O-N 3.22Å; M86-C89 PolarHBondContact O-N 3.01Å; C89-M92 PolarHBondContact O-N 3.1Å; C89-G93 PolarHBondContact O-N 2.51Å; C89-V94 HydrophobicContact CB-CB 3.98Å; C89-V94 HydrophobicContact CB-CG1 4.49Å; C89-V94 HydrophobicContact CB-CG2 3.96Å; C89-V94 WeakPolarHBondContact O-CB 3.35Å; C89-V94 WeakPolarHBondContact O-CG2 3.36Å; C89-V94 PolarHBondContact O-N 2.52Å; C89-F95 HydrophobicContact CB-CE1 3.79Å; C89-F95 HydrophobicContact CB-CE2 4.24Å; C89-F95 HydrophobicContact CB-CZ 3.45Å; C89-F95 VanDerWaalsContact CB-CZ 3.45Å; C89-C106 HydrophobicContact CB-CB 3.61Å; C89-C106 WeakPolarHBondContact CB-SG 3.34Å; C89-C106 WeakPolarHBondContact SG-CB 3.39Å; C89-C106 CovalentContact SG-SG 2.01Å; C89-C106 PolarHBondContact SG-SG 3.46Å; C89-C132 PolarHBondContact N-SG 3.02Å; C89-C132 VanDerWaalsContact N-SG 3.37Å
90S96Very high94.1Very high73 Ų7354.5 Ų54.551%0.5133%0.325SS..Hα-helixtrans-59.6-49.2173.3-1750000110.6M86 C88 M92 G93M86-S90 VanDerWaalsContact O-CB 3.29Å; M86-S90 WeakPolarHBondContact O-CB 3.04Å; M86-S90 PolarHBondContact O-N 3.1Å; C88-S90 VanDerWaalsContact C-N 3.29Å; C88-S90 PolarHBondContact O-N 3.34Å; S90-M92 VanDerWaalsContact C-N 3.31Å; S90-M92 PolarHBondContact O-N 2.64Å; S90-G93 PolarHBondContact O-N 3.15Å
91K96.3Very high94Very high144 Ų14459.1 Ų59.163%0.62634%0.342SS*.Hα-helixtrans-62.1-37.1178.7-176.761.8174.7-178.30112.8Y20 Q87 C88 G93Y20-K91 HydrophobicContact CE2-CB 4.1Å; Y20-K91 HydrophobicContact CE2-CG 4.03Å; Q87-K91 PolarHBondContact O-N 3.2Å; Q87-K91 VanDerWaalsContact O-N 3.08Å; C88-K91 CarbonylContact O-C 3.57Å; C88-K91 WeakPolarHBondContact O-CA 3.4Å; C88-K91 WeakPolarHBondContact O-CB 3.29Å; C88-K91 PolarHBondContact O-N 3.02Å; K91-G93 PolarHBondContact O-N 2.69Å
92M95.6Very high94Very high70 Ų7055.4 Ų55.435%0.34533%0.325SS..THydrogen-bonded Turntrans-78.6-1.9177.9-63.2-57.3-79.600113.3C88 C89 S90 V94 K128C88-M92 WeakPolarHBondContact O-CG 3.3Å; C88-M92 PolarHBondContact O-N 3.42Å; C89-M92 PolarHBondContact O-N 3.1Å; S90-M92 VanDerWaalsContact C-N 3.31Å; S90-M92 PolarHBondContact O-N 2.64Å; M92-V94 HydrophobicContact CB-CG2 4.46Å; M92-K128 HydrophobicContact CB-CB 4.33Å; M92-K128 WeakPolarHBondContact O-CD 3.48Å; M92-K128 PolarHBondContact O-NZ 3.07Å
93G96.3Very high94.1Very high14 Ų1459.6 Ų59.614%0.14434%0.335CS..THydrogen-bonded Turntrans68.338.417900000112.8C89 S90 K91 F95 T96 K128C89-G93 PolarHBondContact O-N 2.51Å; S90-G93 PolarHBondContact O-N 3.15Å; K91-G93 PolarHBondContact O-N 2.69Å; G93-F95 VanDerWaalsContact C-N 3.3Å; G93-T96 PolarHBondContact O-OG1 3.39Å; G93-T96 VanDerWaalsContact O-OG1 3.12Å; G93-K128 PolarHBondContact O-NZ 2.83Å
94V97.1Very high94.1Very high0 Ų058.2 Ų58.20%033%0.329CS..SBendtrans-70.1-30.7173.6173.20000111C89 M92 G99 C102 Q125 K128 I129C89-V94 HydrophobicContact CB-CB 3.98Å; C89-V94 HydrophobicContact CB-CG1 4.49Å; C89-V94 HydrophobicContact CB-CG2 3.96Å; C89-V94 WeakPolarHBondContact O-CB 3.35Å; C89-V94 WeakPolarHBondContact O-CG2 3.36Å; C89-V94 PolarHBondContact O-N 2.52Å; M92-V94 HydrophobicContact CB-CG2 4.46Å; V94-G99 WeakPolarHBondContact O-CA 3.44Å; V94-C102 HydrophobicContact CG1-CB 3.75Å; V94-Q125 HydrophobicContact CG1-CB 4.16Å; V94-Q125 HydrophobicContact CG1-CG 4.48Å; V94-K128 HydrophobicContact CG2-CB 3.8Å; V94-K128 HydrophobicContact CG2-CD 4.24Å; V94-I129 HydrophobicContact CG1-CD1 4.07Å; V94-I129 HydrophobicContact CG1-CG1 3.85Å; V94-I129 HydrophobicContact CG2-CG1 4.1Å
95F95.6Very high94.2Very high9 Ų954.3 Ų54.34%0.03931%0.308CS..SBendtrans-90.7-10.5-173.7-47.4-31.8000113.7C89 G93 G99 E100 R103 C106C89-F95 HydrophobicContact CB-CE1 3.79Å; C89-F95 HydrophobicContact CB-CE2 4.24Å; C89-F95 HydrophobicContact CB-CZ 3.45Å; C89-F95 VanDerWaalsContact CB-CZ 3.45Å; G93-F95 VanDerWaalsContact C-N 3.3Å; F95-G99 CarbonylContact O-C 3.54Å; F95-E100 PolarHBondContact O-N 3.38Å; F95-R103 HydrophobicContact CD1-CB 4.41Å; F95-R103 HydrophobicContact CD1-CG 3.52Å; F95-R103 HydrophobicContact CD2-CG 4.05Å; F95-R103 VanDerWaalsContact CE1-CA 3.45Å; F95-R103 HydrophobicContact CE1-CB 4.08Å; F95-R103 HydrophobicContact CE1-CG 3.52Å; F95-R103 HydrophobicContact CE2-CG 4.01Å; F95-R103 HydrophobicContact CG-CG 3.83Å; F95-R103 HydrophobicContact CZ-CB 4.39Å; F95-R103 HydrophobicContact CZ-CG 3.76Å; F95-C106 HydrophobicContact CE1-CB 4.35Å; F95-C106 HydrophobicContact CZ-CB 4.21Å
96T94Very high94.2Very high93 Ų9353.6 Ų53.657%0.57130%0.304SS*.SBendtrans-78.5162.7-177.964.50000111.4G93 G98 G99G93-T96 PolarHBondContact O-OG1 3.39Å; G93-T96 VanDerWaalsContact O-OG1 3.12Å; T96-G98 VanDerWaalsContact C-N 3.3Å; T96-G98 PolarHBondContact O-N 3.19Å; T96-G99 PolarHBondContact O-N 3.02Å
97G88.2Confident93.9Very high92 Ų9252 Ų5295%0.94830%0.298SS*.THydrogen-bonded Turntrans62.831.317300000114.9
98G85.9Confident92.8Very high70 Ų7045.9 Ų45.972%0.72227%0.27SS*.THydrogen-bonded Turntrans91.72.5-176.400000114.5T96 E100T96-G98 VanDerWaalsContact C-N 3.3Å; T96-G98 PolarHBondContact O-N 3.19Å; G98-E100 PolarHBondContact O-N 3Å
99G93.2Very high91.1Very high6 Ų648.9 Ų48.96%0.06230%0.295CS..G310 helixtrans-75.27.4178.100000115.7V94 F95 T96 R101 C102V94-G99 WeakPolarHBondContact O-CA 3.44Å; F95-G99 CarbonylContact O-C 3.54Å; T96-G99 PolarHBondContact O-N 3.02Å; G99-R101 PolarHBondContact O-N 3.39Å; G99-R101 VanDerWaalsContact O-N 3.11Å; G99-C102 WeakPolarHBondContact O-CA 3.42Å; G99-C102 WeakPolarHBondContact O-CB 3.49Å; G99-C102 PolarHBondContact O-N 3.31Å
100E93.3Very high89.1Confident103 Ų10350.4 Ų50.448%0.48131%0.311SS..G310 helixtrans-54.5-33.8-177.8-69-63.415900112.9F95 G98 C102 R103F95-E100 PolarHBondContact O-N 3.38Å; G98-E100 PolarHBondContact O-N 3Å; E100-C102 PolarHBondContact O-N 2.93Å; E100-R103 WeakPolarHBondContact O-CB 2.86Å; E100-R103 WeakPolarHBondContact O-CD 3.47Å; E100-R103 VanDerWaalsContact O-CG 3.26Å; E100-R103 WeakPolarHBondContact O-CG 3.37Å; E100-R103 PolarHBondContact O-N 3.39Å; E100-R103 IonicContact OE1-NH2 3.56Å; E100-R103 IonicContact OE2-CZ 2.82Å; E100-R103 IonicContact OE2-NE 3.01Å; E100-R103 PolarHBondContact OE2-NE 3.39Å; E100-R103 IonicContact OE2-NH2 3.14Å; E100-R103 PolarHBondContact OE2-NH2 3.34Å
101R92.6Very high87.2Confident98 Ų9849.2 Ų49.237%0.3730%0.299SS..G310 helixtrans-65.1-25.1175.4-62.7-171.466.189.24.1113.3G99 R103 K104 T116 D119G99-R101 PolarHBondContact O-N 3.39Å; G99-R101 VanDerWaalsContact O-N 3.11Å; R101-R103 PolarHBondContact O-N 3.19Å; R101-K104 PolarHBondContact O-N 3.49Å; R101-T116 PolarHBondContact NH2-OG1 3.48Å; R101-D119 IonicContact CZ-OD1 3.67Å; R101-D119 IonicContact NE-OD1 2.74Å; R101-D119 PolarHBondContact NE-OD1 3.43Å; R101-D119 VanDerWaalsContact NH2-CG 3.3Å; R101-D119 IonicContact NH2-OD1 2.76Å; R101-D119 PolarHBondContact NH2-OD1 3.47Å; R101-D119 IonicContact NH2-OD2 3.2Å; R101-D119 PolarHBondContact NH2-OD2 3.12Å; R101-D119 VanDerWaalsContact NH2-OD2 3.14Å
102C94.9Very high85.5Confident4 Ų451.9 Ų51.93%0.02731%0.31CS..G310 helixtrans-77.20.1-179-500000113.1V94 G99 E100 K104 F105 C122V94-C102 HydrophobicContact CG1-CB 3.75Å; G99-C102 WeakPolarHBondContact O-CA 3.42Å; G99-C102 WeakPolarHBondContact O-CB 3.49Å; G99-C102 PolarHBondContact O-N 3.31Å; E100-C102 PolarHBondContact O-N 2.93Å; C102-K104 PolarHBondContact O-N 2.86Å; C102-F105 WeakPolarHBondContact O-CB 3.48Å; C102-F105 PolarHBondContact O-N 2.94Å; C102-C122 WeakPolarHBondContact CA-SG 2.98Å; C102-C122 HydrophobicContact CB-CB 3.83Å; C102-C122 WeakPolarHBondContact CB-SG 3.46Å; C102-C122 PolarHBondContact N-SG 2.7Å; C102-C122 WeakPolarHBondContact SG-CA 3.24Å; C102-C122 WeakPolarHBondContact SG-CB 3.27Å; C102-C122 CovalentContact SG-SG 2.04Å; C102-C122 PolarHBondContact SG-SG 2.86Å
103R94.1Very high84.5Confident106 Ų10653.4 Ų53.440%0.432%0.32SS..G310 helixtrans-53.4-41.2165.5-72.6175-174.7-87-2.9112.2F95 E100 R101 F105 C106 D107F95-R103 HydrophobicContact CD1-CB 4.41Å; F95-R103 HydrophobicContact CD1-CG 3.52Å; F95-R103 HydrophobicContact CD2-CG 4.05Å; F95-R103 VanDerWaalsContact CE1-CA 3.45Å; F95-R103 HydrophobicContact CE1-CB 4.08Å; F95-R103 HydrophobicContact CE1-CG 3.52Å; F95-R103 HydrophobicContact CE2-CG 4.01Å; F95-R103 HydrophobicContact CG-CG 3.83Å; F95-R103 HydrophobicContact CZ-CB 4.39Å; F95-R103 HydrophobicContact CZ-CG 3.76Å; E100-R103 WeakPolarHBondContact O-CB 2.86Å; E100-R103 WeakPolarHBondContact O-CD 3.47Å; E100-R103 VanDerWaalsContact O-CG 3.26Å; E100-R103 WeakPolarHBondContact O-CG 3.37Å; E100-R103 PolarHBondContact O-N 3.39Å; E100-R103 IonicContact OE1-NH2 3.56Å; E100-R103 IonicContact OE2-CZ 2.82Å; E100-R103 IonicContact OE2-NE 3.01Å; E100-R103 PolarHBondContact OE2-NE 3.39Å; E100-R103 IonicContact OE2-NH2 3.14Å; E100-R103 PolarHBondContact OE2-NH2 3.34Å; R101-R103 PolarHBondContact O-N 3.19Å; R103-F105 PolarHBondContact O-N 3.26Å; R103-F105 VanDerWaalsContact O-N 3.16Å; R103-C106 WeakPolarHBondContact O-CB 3.26Å; R103-C106 PolarHBondContact O-N 3.06Å; R103-D107 PolarHBondContact O-N 2.01Å
104K92.3Very high84.2Confident33 Ų3358 Ų5814%0.14335%0.345CS..G310 helixtrans-57.7-29.8174.7-56.2-178.9-172.2-176.50112.1R101 C102 C106 N111 D113 T114 D119R101-K104 PolarHBondContact O-N 3.49Å; C102-K104 PolarHBondContact O-N 2.86Å; K104-C106 PolarHBondContact O-N 2.91Å; K104-N111 VanDerWaalsContact CA-OD1 3.29Å; K104-N111 WeakPolarHBondContact CA-OD1 3.02Å; K104-N111 WeakPolarHBondContact CB-OD1 3.41Å; K104-N111 VanDerWaalsContact O-CG 3.32Å; K104-N111 PolarHBondContact O-ND2 3.29Å; K104-N111 PolarHBondContact O-OD1 3.48Å; K104-D113 HydrophobicContact CD-CB 3.8Å; K104-D113 HydrophobicContact CG-CB 4.06Å; K104-T114 PolarHBondContact NZ-O 3.01Å; K104-D119 IonicContact NZ-OD2 2.8Å
105F95.3Very high83.9Confident0 Ų058.4 Ų58.40%035%0.347CS..G310 helixtrans-77.2-12.6178.9-79.9-123.9000112.6F62 I72 L76 C102 R103 I115 D119 C122 I129 H133F62-F105 AromaticContact CE2-CE1 3.77Å; F62-F105 HydrophobicContact CE2-CE1 3.77Å; F62-F105 HydrophobicContact CE2-CZ 4.32Å; F62-F105 HydrophobicContact CZ-CE1 4.35Å; I72-F105 HydrophobicContact CD1-CZ 4.35Å; I72-F105 HydrophobicContact CG2-CE1 3.81Å; I72-F105 HydrophobicContact CG2-CE2 4.29Å; I72-F105 HydrophobicContact CG2-CZ 3.6Å; L76-F105 HydrophobicContact CD1-CB 4.25Å; L76-F105 HydrophobicContact CD1-CD1 3.97Å; L76-F105 HydrophobicContact CD1-CD2 4.13Å; L76-F105 HydrophobicContact CD1-CE1 4.3Å; L76-F105 HydrophobicContact CD1-CE2 4.46Å; L76-F105 HydrophobicContact CD1-CG 3.87Å; L76-F105 HydrophobicContact CD2-CB 4.23Å; L76-F105 HydrophobicContact CD2-CD1 3.75Å; L76-F105 HydrophobicContact CD2-CE1 4.39Å; L76-F105 HydrophobicContact CD2-CG 4.2Å; L76-F105 HydrophobicContact CG-CD1 4.39Å; C102-F105 WeakPolarHBondContact O-CB 3.48Å; C102-F105 PolarHBondContact O-N 2.94Å; R103-F105 PolarHBondContact O-N 3.26Å; R103-F105 VanDerWaalsContact O-N 3.16Å; F105-I115 HydrophobicContact CE2-CD1 4.07Å; F105-I115 HydrophobicContact CE2-CG2 4.16Å; F105-I115 HydrophobicContact CZ-CG2 4.45Å; F105-D119 HydrophobicContact CE2-CB 3.99Å; F105-C122 HydrophobicContact CD1-CB 3.97Å; F105-C122 HydrophobicContact CD2-CB 3.98Å; F105-C122 HydrophobicContact CE1-CB 3.96Å; F105-C122 HydrophobicContact CE2-CB 3.96Å; F105-C122 HydrophobicContact CG-CB 3.99Å; F105-C122 HydrophobicContact CZ-CB 3.93Å; F105-I129 HydrophobicContact CB-CD1 3.67Å; F105-I129 HydrophobicContact CB-CG1 4.34Å; F105-I129 HydrophobicContact CB-CG2 4.22Å; F105-I129 HydrophobicContact CD1-CD1 4.18Å; F105-I129 HydrophobicContact CG-CD1 4.28Å; F105-I129 WeakPolarHBondContact O-CG2 3.36Å; F105-H133 PolarHBondContact O-CE1 3.37Å; F105-H133 VanDerWaalsContact O-CE1 3.26Å; F105-H133 PolarHBondContact O-NE2 3.37Å
106C95.1Very high83.8Confident0 Ų060.3 Ų60.30%036%0.36CS..THydrogen-bonded Turntrans-103.9-23.9-176.7-62.50000113.6N85 M86 C89 F95 R103 K104N85-C106 PolarHBondContact N-O 3.16Å; M86-C106 HydrophobicContact CG-CB 4.28Å; C89-C106 HydrophobicContact CB-CB 3.61Å; C89-C106 WeakPolarHBondContact CB-SG 3.34Å; C89-C106 WeakPolarHBondContact SG-CB 3.39Å; C89-C106 CovalentContact SG-SG 2.01Å; C89-C106 PolarHBondContact SG-SG 3.46Å; F95-C106 HydrophobicContact CE1-CB 4.35Å; F95-C106 HydrophobicContact CZ-CB 4.21Å; R103-C106 WeakPolarHBondContact O-CB 3.26Å; R103-C106 PolarHBondContact O-N 3.06Å; K104-C106 PolarHBondContact O-N 2.91Å
107D87.3Confident83.8Confident31 Ų3161.2 Ų61.217%0.16637%0.366CS..BIsolated β-bridgetrans-106.884.2176.9-179.115.1000111M86 R103 A109 G110 N111M86-D107 HydrophobicContact CE-CB 4.11Å; M86-D107 HydrophobicContact CG-CB 3.99Å; M86-D107 HydrophobicContact SD-CB 4.15Å; R103-D107 PolarHBondContact O-N 2.01Å; D107-A109 PolarHBondContact OD1-N 3.47Å; D107-G110 WeakPolarHBondContact OD1-CA 3.21Å; D107-G110 PolarHBondContact OD1-N 3.25Å; D107-G110 WeakPolarHBondContact OD2-CA 3.38Å; D107-N111 WeakPolarHBondContact O-CB 3.39Å; D107-N111 PolarHBondContact O-N 3.29Å; D107-N111 PolarHBondContact O-ND2 2.82Å; D107-N111 VanDerWaalsContact O-ND2 3.15Å; D107-N111 PolarHBondContact O-OD1 2.9Å
108S71.4Confident84.1Confident15 Ų1564 Ų6411%0.10535%0.351CS..SBendtrans-81.3-27.2175.656.80000113.2S80 G82 K83 G110S80-S108 WeakPolarHBondContact CB-OG 2.98Å; S80-S108 WeakPolarHBondContact OG-CB 3.4Å; S80-S108 PolarHBondContact OG-OG 2.95Å; G82-S108 WeakPolarHBondContact CA-OG 3.32Å; K83-S108 PolarHBondContact O-OG 3.35Å; K83-S108 VanDerWaalsContact O-OG 3.1Å; S108-G110 PolarHBondContact O-N 3.16Å
109A62.8Low84.5Confident66 Ų6660.7 Ų60.755%0.54532%0.317SS..SBendtrans-64.5-31.4176.400000111.5G82 D84 D107G82-A109 WeakPolarHBondContact O-CA 3.5Å; G82-A109 WeakPolarHBondContact O-CB 3.4Å; D84-A109 HydrophobicContact CB-CB 4.46Å; D107-A109 PolarHBondContact OD1-N 3.47Å
110G53.9Low84.6Confident31 Ų3161.2 Ų61.232%0.3232%0.319SS..SBendtrans-125.68.1-165.500000115.6D107 S108 K112D107-G110 WeakPolarHBondContact OD1-CA 3.21Å; D107-G110 PolarHBondContact OD1-N 3.25Å; D107-G110 WeakPolarHBondContact OD2-CA 3.38Å; S108-G110 PolarHBondContact O-N 3.16Å; G110-K112 PolarHBondContact O-N 3.11Å
111N56.1Low84.6Confident49 Ų4959.7 Ų59.726%0.26232%0.32SS..  trans-61.182.3177.2-97.4-29.2000112.4K104 D107K104-N111 VanDerWaalsContact CA-OD1 3.29Å; K104-N111 WeakPolarHBondContact CA-OD1 3.02Å; K104-N111 WeakPolarHBondContact CB-OD1 3.41Å; K104-N111 VanDerWaalsContact O-CG 3.32Å; K104-N111 PolarHBondContact O-ND2 3.29Å; K104-N111 PolarHBondContact O-OD1 3.48Å; D107-N111 WeakPolarHBondContact O-CB 3.39Å; D107-N111 PolarHBondContact O-N 3.29Å; D107-N111 PolarHBondContact O-ND2 2.82Å; D107-N111 VanDerWaalsContact O-ND2 3.15Å; D107-N111 PolarHBondContact O-OD1 2.9Å
112K60.3Low84.8Confident200 Ų20055 Ų5587%0.8730%0.302SS*.  trans-75.2-21.2161-65177.1-177.11770110.4G110G110-K112 PolarHBondContact O-N 3.11Å
113D75.9Confident84.8Confident101 Ų10155 Ų5554%0.5430%0.302SS..SBendtrans-83.2126.7-177.4-72.7-14.3000111.5K104 I115K104-D113 HydrophobicContact CD-CB 3.8Å; K104-D113 HydrophobicContact CG-CB 4.06Å; D113-I115 PolarHBondContact O-N 2.94Å
114T88.2Confident84.8Confident110 Ų11052.3 Ų52.368%0.67530%0.3SS*.PPolyproline II helixtrans-62127.2173.3-49.10000110.3K104 T116K104-T114 PolarHBondContact NZ-O 3.01Å; T114-T116 HydrophobicContact CG2-CG2 4.41Å
115I92.1Very high84.9Confident9 Ų952.7 Ų52.75%0.04630%0.302CS..PPolyproline II helixtrans-73.7133164.7-59-173.4000107.5V69 I72 P73 L76 F105 D113 D119V69-I115 HydrophobicContact CG1-CB 4.42Å; V69-I115 HydrophobicContact CG1-CG2 4.06Å; V69-I115 WeakPolarHBondContact CG1-O 3.47Å; I72-I115 HydrophobicContact CB-CD1 4.13Å; I72-I115 HydrophobicContact CB-CG2 4.34Å; I72-I115 HydrophobicContact CD1-CG2 4.36Å; I72-I115 HydrophobicContact CG2-CD1 3.53Å; I72-I115 HydrophobicContact CG2-CG2 4.25Å; P73-I115 HydrophobicContact CG-CB 4.41Å; P73-I115 HydrophobicContact CG-CD1 3.93Å; P73-I115 HydrophobicContact CG-CG1 4.21Å; L76-I115 HydrophobicContact CD1-CD1 3.62Å; F105-I115 HydrophobicContact CE2-CD1 4.07Å; F105-I115 HydrophobicContact CE2-CG2 4.16Å; F105-I115 HydrophobicContact CZ-CG2 4.45Å; D113-I115 PolarHBondContact O-N 2.94Å; I115-D119 HydrophobicContact CG2-CB 3.87Å
116T93.8Very high85Confident50 Ų5052.7 Ų52.731%0.30730%0.302SS..  trans-125.8170.6-177.163.50000110R101 T114 K118 D119R101-T116 PolarHBondContact NH2-OG1 3.48Å; T114-T116 HydrophobicContact CG2-CG2 4.41Å; T116-K118 PolarHBondContact O-N 3.21Å; T116-K118 VanDerWaalsContact O-N 3.08Å; T116-D119 PolarHBondContact N-OD2 3.25Å; T116-D119 VanDerWaalsContact O-CB 3.32Å; T116-D119 WeakPolarHBondContact O-CB 3.41Å; T116-D119 PolarHBondContact O-N 3.36Å; T116-D119 PolarHBondContact OG1-OD2 3.36Å
117T94.3Very high85Confident112 Ų11255.2 Ų55.269%0.68732%0.32SS*.G310 helixtrans-57.1-25.4175.552.30000113.7V69 D119 V120V69-T117 HydrophobicContact CG2-CG2 4.08Å; T117-D119 PolarHBondContact O-N 3.29Å; T117-V120 WeakPolarHBondContact O-CB 3.33Å; T117-V120 PolarHBondContact O-N 3.48Å
118K93.7Very high85.4Confident150 Ų15057.3 Ų57.365%0.65233%0.327SS*.G310 helixtrans-66.9-25174.2-63.6-179.7-179.6178.20112.9T116 V120 S121T116-K118 PolarHBondContact O-N 3.21Å; T116-K118 VanDerWaalsContact O-N 3.08Å; K118-V120 VanDerWaalsContact C-N 3.33Å; K118-S121 PolarHBondContact O-OG 3.06Å; K118-S121 VanDerWaalsContact O-OG 3.05Å
119D94.1Very high86.6Confident0 Ų056.6 Ų56.60%032%0.322CS..G310 helixtrans-83.7-10.9-177.3-55.2-52.4000112.3R101 K104 F105 I115 T116 T117 S121 C122R101-D119 IonicContact CZ-OD1 3.67Å; R101-D119 IonicContact NE-OD1 2.74Å; R101-D119 PolarHBondContact NE-OD1 3.43Å; R101-D119 VanDerWaalsContact NH2-CG 3.3Å; R101-D119 IonicContact NH2-OD1 2.76Å; R101-D119 PolarHBondContact NH2-OD1 3.47Å; R101-D119 IonicContact NH2-OD2 3.2Å; R101-D119 PolarHBondContact NH2-OD2 3.12Å; R101-D119 VanDerWaalsContact NH2-OD2 3.14Å; K104-D119 IonicContact NZ-OD2 2.8Å; F105-D119 HydrophobicContact CE2-CB 3.99Å; I115-D119 HydrophobicContact CG2-CB 3.87Å; T116-D119 PolarHBondContact N-OD2 3.25Å; T116-D119 VanDerWaalsContact O-CB 3.32Å; T116-D119 WeakPolarHBondContact O-CB 3.41Å; T116-D119 PolarHBondContact O-N 3.36Å; T116-D119 PolarHBondContact OG1-OD2 3.36Å; T117-D119 PolarHBondContact O-N 3.29Å; D119-S121 PolarHBondContact O-N 2.65Å; D119-S121 VanDerWaalsContact O-N 3.15Å; D119-C122 WeakPolarHBondContact O-CB 3.4Å; D119-C122 PolarHBondContact O-N 3.49Å; D119-C122 PolarHBondContact O-SG 2.93Å; D119-C122 VanDerWaalsContact O-SG 3.37Å
120V94.7Very high88.3Confident17 Ų1753.5 Ų53.510%0.10330%0.296CS..G310 helixtrans-55.8-31.5174.5162.20000112.2F62 D63 V69 T117 K118 C122 A123F62-V120 HydrophobicContact CB-CB 4.4Å; F62-V120 HydrophobicContact CB-CG1 3.61Å; F62-V120 HydrophobicContact CB-CG2 4.37Å; D63-V120 VanDerWaalsContact OD1-CG1 3.25Å; D63-V120 WeakPolarHBondContact OD1-CG1 2.99Å; V69-V120 HydrophobicContact CG2-CG2 3.93Å; T117-V120 WeakPolarHBondContact O-CB 3.33Å; T117-V120 PolarHBondContact O-N 3.48Å; K118-V120 VanDerWaalsContact C-N 3.33Å; V120-C122 PolarHBondContact O-N 3.25Å; V120-A123 WeakPolarHBondContact O-CB 3.22Å; V120-A123 PolarHBondContact O-N 2.83Å
121S94.5Very high90.3Very high72 Ų7254.2 Ų54.250%0.50329%0.293SS..G310 helixtrans-55.3-21.5174.760.20000114K118 D119 A123 S124K118-S121 PolarHBondContact O-OG 3.06Å; K118-S121 VanDerWaalsContact O-OG 3.05Å; D119-S121 PolarHBondContact O-N 2.65Å; D119-S121 VanDerWaalsContact O-N 3.15Å; S121-A123 PolarHBondContact O-N 3.47Å; S121-S124 WeakPolarHBondContact O-CB 3.42Å; S121-S124 PolarHBondContact O-N 3.34Å; S121-S124 VanDerWaalsContact O-N 3.14Å; S121-S124 PolarHBondContact O-OG 3.18Å
122C95.5Very high92.3Very high0 Ų051.9 Ų51.90%028%0.281CS..G310 helixtrans-66.6-12.7174.7-630000114.2C102 F105 D119 V120 S124 Q125 L126C102-C122 WeakPolarHBondContact CA-SG 2.98Å; C102-C122 HydrophobicContact CB-CB 3.83Å; C102-C122 WeakPolarHBondContact CB-SG 3.46Å; C102-C122 PolarHBondContact N-SG 2.7Å; C102-C122 WeakPolarHBondContact SG-CA 3.24Å; C102-C122 WeakPolarHBondContact SG-CB 3.27Å; C102-C122 CovalentContact SG-SG 2.04Å; C102-C122 PolarHBondContact SG-SG 2.86Å; F105-C122 HydrophobicContact CD1-CB 3.97Å; F105-C122 HydrophobicContact CD2-CB 3.98Å; F105-C122 HydrophobicContact CE1-CB 3.96Å; F105-C122 HydrophobicContact CE2-CB 3.96Å; F105-C122 HydrophobicContact CG-CB 3.99Å; F105-C122 HydrophobicContact CZ-CB 3.93Å; D119-C122 WeakPolarHBondContact O-CB 3.4Å; D119-C122 PolarHBondContact O-N 3.49Å; D119-C122 PolarHBondContact O-SG 2.93Å; D119-C122 VanDerWaalsContact O-SG 3.37Å; V120-C122 PolarHBondContact O-N 3.25Å; C122-S124 PolarHBondContact O-N 3.5Å; C122-S124 VanDerWaalsContact O-N 3.09Å; C122-Q125 PolarHBondContact O-N 2.03Å; C122-L126 PolarHBondContact O-N 3.15Å
123A95.4Very high94Very high2 Ų242.4 Ų42.42%0.01724%0.239CC..G310 helixtrans-50.4-31.7165.700000112.5L55 K59 F62 V120 S121 Q125 L126L55-A123 WeakPolarHBondContact CD2-O 3.32Å; K59-A123 HydrophobicContact CG-CB 3.94Å; F62-A123 HydrophobicContact CB-CB 4.49Å; F62-A123 HydrophobicContact CD2-CB 3.65Å; F62-A123 HydrophobicContact CE2-CB 4.2Å; F62-A123 HydrophobicContact CG-CB 4.34Å; V120-A123 WeakPolarHBondContact O-CB 3.22Å; V120-A123 PolarHBondContact O-N 2.83Å; S121-A123 PolarHBondContact O-N 3.47Å; A123-Q125 PolarHBondContact O-N 3.24Å; A123-L126 WeakPolarHBondContact O-CB 3.01Å; A123-L126 PolarHBondContact O-N 2.82Å
124S94Very high95.1Very high51 Ų5139.5 Ų39.536%0.35722%0.221SC..G310 helixtrans-65.5-21.5177.564.20000114.7S121 C122S121-S124 WeakPolarHBondContact O-CB 3.42Å; S121-S124 PolarHBondContact O-N 3.34Å; S121-S124 VanDerWaalsContact O-N 3.14Å; S121-S124 PolarHBondContact O-OG 3.18Å; C122-S124 PolarHBondContact O-N 3.5Å; C122-S124 VanDerWaalsContact O-N 3.09Å
125Q95.4Very high95.4Very high40 Ų4034.3 Ų34.319%0.18719%0.189CC..G310 helixtrans-106.63.4178.1-56.8-61.9-28.500112.3V94 C122 A123 S127 K128 I129V94-Q125 HydrophobicContact CG1-CB 4.16Å; V94-Q125 HydrophobicContact CG1-CG 4.48Å; C122-Q125 PolarHBondContact O-N 2.03Å; A123-Q125 PolarHBondContact O-N 3.24Å; Q125-S127 VanDerWaalsContact C-N 3.3Å; Q125-S127 PolarHBondContact O-N 2.96Å; Q125-K128 WeakPolarHBondContact O-CB 3.16Å; Q125-K128 PolarHBondContact O-N 3.27Å; Q125-I129 HydrophobicContact CB-CD1 3.93Å; Q125-I129 HydrophobicContact CB-CG1 4.5Å; Q125-I129 PolarHBondContact O-N 2.93Å; Q125-I129 VanDerWaalsContact O-N 3.12Å
126L96Very high95.5Very high1 Ų134.3 Ų34.31%0.00519%0.191CC..Hα-helixtrans-60-36.9-166-169.465.1000113V53 L55 A58 F62 Y75 C122 A123 K128 I129 L130V53-L126 HydrophobicContact CG1-CD2 4.44Å; L55-L126 HydrophobicContact CD2-CB 4.4Å; A58-L126 HydrophobicContact CB-CB 4.38Å; A58-L126 HydrophobicContact CB-CD2 3.43Å; A58-L126 VanDerWaalsContact CB-CD2 3.43Å; F62-L126 HydrophobicContact CZ-CD2 4.43Å; Y75-L126 HydrophobicContact CE1-CD1 4.19Å; C122-L126 PolarHBondContact O-N 3.15Å; A123-L126 WeakPolarHBondContact O-CB 3.01Å; A123-L126 PolarHBondContact O-N 2.82Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 2.71Å; L126-I129 PolarHBondContact O-N 2.92Å; L126-L130 HydrophobicContact CD1-CG 4.16Å; L126-L130 HydrophobicContact CD2-CD1 4.27Å; L126-L130 HydrophobicContact CG-CD1 3.92Å; L126-L130 HydrophobicContact CG-CG 4.02Å; L126-L130 VanDerWaalsContact O-CB 3.32Å; L126-L130 WeakPolarHBondContact O-CB 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.22Å; L126-L130 PolarHBondContact O-N 2.79Å
127S96.1Very high95.5Very high52 Ų5232.4 Ų32.436%0.36418%0.179SC..Hα-helixtrans-61.2-35.8176.8-57.10000113.1L55 Q125 N131L55-S127 WeakPolarHBondContact CD2-OG 3.44Å; L55-S127 WeakPolarHBondContact CG-OG 3.49Å; Q125-S127 VanDerWaalsContact C-N 3.3Å; Q125-S127 PolarHBondContact O-N 2.96Å; S127-N131 WeakPolarHBondContact O-CB 2.98Å; S127-N131 PolarHBondContact O-N 3.21Å
128K96.4Very high94.5Very high75 Ų7535.6 Ų35.633%0.32619%0.186SC..Hα-helixtrans-73.4-42.2175.9-64173.2-178.6172.90111.4M92 G93 V94 Q125 L126 N131 C132M92-K128 HydrophobicContact CB-CB 4.33Å; M92-K128 WeakPolarHBondContact O-CD 3.48Å; M92-K128 PolarHBondContact O-NZ 3.07Å; G93-K128 PolarHBondContact O-NZ 2.83Å; V94-K128 HydrophobicContact CG2-CB 3.8Å; V94-K128 HydrophobicContact CG2-CD 4.24Å; Q125-K128 WeakPolarHBondContact O-CB 3.16Å; Q125-K128 PolarHBondContact O-N 3.27Å; L126-K128 VanDerWaalsContact C-N 3.29Å; L126-K128 PolarHBondContact O-N 2.71Å; K128-N131 PolarHBondContact O-N 2.52Å; K128-C132 PolarHBondContact O-N 2.04Å; K128-C132 PolarHBondContact O-SG 2.86Å
129I96.7Very high94.5Very high0 Ų029.9 Ų29.90%016%0.163CC..Hα-helixtrans-59.8-49.9177-68.7157.7000110V94 F105 Q125 L126 N131 C132 H133V94-I129 HydrophobicContact CG1-CD1 4.07Å; V94-I129 HydrophobicContact CG1-CG1 3.85Å; V94-I129 HydrophobicContact CG2-CG1 4.1Å; F105-I129 HydrophobicContact CB-CD1 3.67Å; F105-I129 HydrophobicContact CB-CG1 4.34Å; F105-I129 HydrophobicContact CB-CG2 4.22Å; F105-I129 HydrophobicContact CD1-CD1 4.18Å; F105-I129 HydrophobicContact CG-CD1 4.28Å; F105-I129 WeakPolarHBondContact O-CG2 3.36Å; Q125-I129 HydrophobicContact CB-CD1 3.93Å; Q125-I129 HydrophobicContact CB-CG1 4.5Å; Q125-I129 PolarHBondContact O-N 2.93Å; Q125-I129 VanDerWaalsContact O-N 3.12Å; L126-I129 PolarHBondContact O-N 2.92Å; I129-N131 VanDerWaalsContact C-N 3.35Å; I129-N131 PolarHBondContact O-N 3.49Å; I129-C132 WeakPolarHBondContact O-CB 3.25Å; I129-C132 PolarHBondContact O-N 2.95Å; I129-C132 VanDerWaalsContact O-N 3.16Å; I129-H133 PolarHBondContact O-N 3.28Å
130L97.7Very high94.5Very high1 Ų131.4 Ų31.41%0.00517%0.171CC..Hα-helixtrans-63.1-39.3178.1-75.8-178.8000112.2F33 Y51 V53 A79 L126 C132 H133 W134F33-L130 HydrophobicContact CE1-CD2 3.99Å; F33-L130 HydrophobicContact CZ-CD2 4.43Å; Y51-L130 HydrophobicContact CD1-CB 4.06Å; Y51-L130 HydrophobicContact CD1-CD2 4.1Å; Y51-L130 WeakPolarHBondContact CD1-O 3.25Å; Y51-L130 HydrophobicContact CE1-CD2 4.34Å; V53-L130 HydrophobicContact CB-CD1 4.28Å; A79-L130 HydrophobicContact CB-CD2 3.96Å; L126-L130 HydrophobicContact CD1-CG 4.16Å; L126-L130 HydrophobicContact CD2-CD1 4.27Å; L126-L130 HydrophobicContact CG-CD1 3.92Å; L126-L130 HydrophobicContact CG-CG 4.02Å; L126-L130 VanDerWaalsContact O-CB 3.32Å; L126-L130 WeakPolarHBondContact O-CB 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.22Å; L126-L130 PolarHBondContact O-N 2.79Å; L130-C132 VanDerWaalsContact C-N 3.34Å; L130-C132 PolarHBondContact O-N 3.37Å; L130-H133 PolarHBondContact O-N 2.86Å; L130-W134 WeakPolarHBondContact O-CB 3.29Å; L130-W134 PolarHBondContact O-N 3.06Å
131N96.6Very high94.5Very high47 Ų4732.2 Ų32.225%0.25118%0.175SC..Hα-helixtrans-59.2-46.1172.6176-107.9000111.4S127 K128 I129 H133 W134 S135S127-N131 WeakPolarHBondContact O-CB 2.98Å; S127-N131 PolarHBondContact O-N 3.21Å; K128-N131 PolarHBondContact O-N 2.52Å; I129-N131 VanDerWaalsContact C-N 3.35Å; I129-N131 PolarHBondContact O-N 3.49Å; N131-H133 PolarHBondContact O-N 3.17Å; N131-W134 PolarHBondContact O-N 2.74Å; N131-S135 WeakPolarHBondContact O-CB 3.05Å; N131-S135 PolarHBondContact O-N 3.44Å; N131-S135 PolarHBondContact O-OG 3.37Å
132C96.9Very high94.5Very high0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-62-43.9176.4-73.60000113N85 C88 C89 K128 I129 L130 S135 G136N85-C132 HydrophobicContact CB-CB 4.2Å; N85-C132 PolarHBondContact OD1-O 3.4Å; C88-C132 HydrophobicContact CB-CB 3.6Å; C88-C132 WeakPolarHBondContact CB-SG 3.47Å; C88-C132 WeakPolarHBondContact SG-CA 3.42Å; C88-C132 WeakPolarHBondContact SG-CB 3.34Å; C88-C132 CovalentContact SG-SG 2.04Å; C88-C132 PolarHBondContact SG-SG 2.85Å; C89-C132 PolarHBondContact N-SG 3.02Å; C89-C132 VanDerWaalsContact N-SG 3.37Å; K128-C132 PolarHBondContact O-N 2.04Å; K128-C132 PolarHBondContact O-SG 2.86Å; I129-C132 WeakPolarHBondContact O-CB 3.25Å; I129-C132 PolarHBondContact O-N 2.95Å; I129-C132 VanDerWaalsContact O-N 3.16Å; L130-C132 VanDerWaalsContact C-N 3.34Å; L130-C132 PolarHBondContact O-N 3.37Å; C132-S135 PolarHBondContact O-N 2.94Å; C132-G136 PolarHBondContact O-N 3.08Å
133H97Very high94.4Very high0 Ų031.8 Ų31.80%017%0.166CC..Hα-helixtrans-63.1-43.2176.9-71.9-24.7000113.1Y51 A79 S80 N85 F105 I129 L130 N131 S135 G136 L137Y51-H133 HydrophobicContact CE1-CB 4.18Å; A79-H133 HydrophobicContact CB-CB 4.44Å; A79-H133 VanDerWaalsContact O-CB 3.31Å; A79-H133 WeakPolarHBondContact O-CB 3.4Å; S80-H133 WeakPolarHBondContact CB-ND1 3.5Å; N85-H133 PolarHBondContact ND2-ND1 2.8Å; F105-H133 PolarHBondContact O-CE1 3.37Å; F105-H133 VanDerWaalsContact O-CE1 3.26Å; F105-H133 PolarHBondContact O-NE2 3.37Å; I129-H133 PolarHBondContact O-N 3.28Å; L130-H133 PolarHBondContact O-N 2.86Å; N131-H133 PolarHBondContact O-N 3.17Å; H133-S135 VanDerWaalsContact C-N 3.3Å; H133-S135 PolarHBondContact O-N 2.92Å; H133-G136 PolarHBondContact O-N 2.92Å; H133-L137 PolarHBondContact O-N 3.39Å
134W97.3Very high94.4Very high41 Ų4133.7 Ų33.716%0.15518%0.176CC..Hα-helixtrans-61.7-42.1175-175.612.9000111.1P22 I24 L26 A29 Y51 L130 N131 G136 L137P22-W134 HydrophobicContact CB-CD2 3.6Å; P22-W134 HydrophobicContact CB-CE3 4.28Å; P22-W134 HydrophobicContact CB-CG 3.82Å; P22-W134 HydrophobicContact CB-CH2 4.34Å; P22-W134 HydrophobicContact CB-CZ2 3.68Å; P22-W134 HydrophobicContact CG-CB 4.43Å; P22-W134 HydrophobicContact CG-CD2 3.3Å; P22-W134 VanDerWaalsContact CG-CE2 3.46Å; P22-W134 HydrophobicContact CG-CE3 3.49Å; P22-W134 VanDerWaalsContact CG-CE3 3.49Å; P22-W134 HydrophobicContact CG-CG 3.77Å; P22-W134 HydrophobicContact CG-CH2 3.92Å; P22-W134 HydrophobicContact CG-CZ2 3.75Å; P22-W134 HydrophobicContact CG-CZ3 3.81Å; I24-W134 WeakPolarHBondContact O-CZ2 3.12Å; I24-W134 PolarHBondContact O-NE1 3.16Å; L26-W134 VanDerWaalsContact CA-CZ2 3.48Å; L26-W134 HydrophobicContact CB-CH2 3.75Å; L26-W134 HydrophobicContact CB-CZ2 3.8Å; L26-W134 HydrophobicContact CD1-CE3 4.42Å; L26-W134 HydrophobicContact CD1-CH2 4.03Å; L26-W134 HydrophobicContact CD1-CZ2 4.31Å; L26-W134 HydrophobicContact CD1-CZ3 4.07Å; L26-W134 HydrophobicContact CG-CH2 4.43Å; A29-W134 VanDerWaalsContact CB-CD1 3.44Å; A29-W134 HydrophobicContact CB-CG 4.28Å; A29-W134 VanDerWaalsContact CB-NE1 3.28Å; Y51-W134 HydrophobicContact CD1-CB 3.58Å; Y51-W134 HydrophobicContact CD1-CG 4.24Å; Y51-W134 HydrophobicContact CD2-CB 4.45Å; Y51-W134 HydrophobicContact CD2-CG 4.31Å; Y51-W134 HydrophobicContact CE1-CB 3.6Å; Y51-W134 HydrophobicContact CE1-CG 4.41Å; Y51-W134 HydrophobicContact CE2-CB 4.47Å; Y51-W134 HydrophobicContact CE2-CG 4.48Å; Y51-W134 HydrophobicContact CG-CB 4Å; Y51-W134 HydrophobicContact CG-CD2 4.45Å; Y51-W134 HydrophobicContact CG-CG 4.16Å; L130-W134 WeakPolarHBondContact O-CB 3.29Å; L130-W134 PolarHBondContact O-N 3.06Å; N131-W134 PolarHBondContact O-N 2.74Å; W134-G136 PolarHBondContact O-N 2.97Å; W134-L137 VanDerWaalsContact O-CB 3.3Å; W134-L137 WeakPolarHBondContact O-CB 3.22Å; W134-L137 PolarHBondContact O-N 3.36Å
135S95.4Very high94.4Very high1 Ų132.5 Ų32.51%0.00716%0.163CC..Hα-helixtrans-66.4-30177.2-60.30000112.9G15 Y20 N131 C132 H133 L137G15-S135 WeakPolarHBondContact CA-O 3.09Å; Y20-S135 VanDerWaalsContact O-CB 3.27Å; Y20-S135 WeakPolarHBondContact O-CB 3.31Å; Y20-S135 PolarHBondContact O-OG 3.32Å; N131-S135 WeakPolarHBondContact O-CB 3.05Å; N131-S135 PolarHBondContact O-N 3.44Å; N131-S135 PolarHBondContact O-OG 3.37Å; C132-S135 PolarHBondContact O-N 2.94Å; H133-S135 VanDerWaalsContact C-N 3.3Å; H133-S135 PolarHBondContact O-N 2.92Å; S135-L137 PolarHBondContact O-N 3.03Å
136G94.4Very high94.3Very high9 Ų931.9 Ų31.99%0.09316%0.161CC..THydrogen-bonded Turntrans-67.8-15170.300000114.1K83 C132 H133 W134 E138K83-G136 WeakPolarHBondContact CD-O 3.42Å; K83-G136 VanDerWaalsContact CE-O 3.22Å; K83-G136 WeakPolarHBondContact CE-O 3.44Å; K83-G136 PolarHBondContact NZ-O 3.02Å; C132-G136 PolarHBondContact O-N 3.08Å; H133-G136 PolarHBondContact O-N 2.92Å; W134-G136 PolarHBondContact O-N 2.97Å; G136-E138 PolarHBondContact O-N 3.23Å
137L93Very high94.2Very high9 Ų934.5 Ų34.55%0.04717%0.174CC..  trans-74.1108.7176.3-57.1-167.1000109.8C23 I24 A29 Y51 Q81 H133 W134 S135C23-L137 WeakPolarHBondContact CB-O 3.17Å; I24-L137 HydrophobicContact CD1-CB 3.88Å; I24-L137 HydrophobicContact CD1-CD1 3.69Å; I24-L137 HydrophobicContact CD1-CG 4.47Å; I24-L137 HydrophobicContact CG1-CB 4.21Å; A29-L137 HydrophobicContact CB-CD1 4.24Å; Y51-L137 HydrophobicContact CE2-CD1 4.17Å; Y51-L137 WeakPolarHBondContact OH-CD1 3.49Å; Q81-L137 HydrophobicContact CB-CD2 3.92Å; Q81-L137 HydrophobicContact CG-CD2 3.43Å; Q81-L137 VanDerWaalsContact CG-CD2 3.43Å; H133-L137 PolarHBondContact O-N 3.39Å; W134-L137 VanDerWaalsContact O-CB 3.3Å; W134-L137 WeakPolarHBondContact O-CB 3.22Å; W134-L137 PolarHBondContact O-N 3.36Å; S135-L137 PolarHBondContact O-N 3.03Å
138E73.1Confident94Very high179 Ų17932.9 Ų32.984%0.83616%0.156SC*.  trans-1080-179.9-58.7170.4129.700110.1K83 G136K83-E138 IonicContact NZ-OE2 3.52Å; K83-E138 PolarHBondContact NZ-OE2 3.36Å; G136-E138 PolarHBondContact O-N 3.23Å

Retrieved 138 of 138 residues in 43.7 ms (Link to these results)

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