A0A077ZLM1_TRITR Loading...

peptidoglycan glycosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZLM1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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
1M53.7Low62.4Low211 Ų211120.5 Ų120.5100%1.03963%0.63SS**  0-56.90-157.6156.475.800112.1L3 F4 L5M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.95Å; M1-F4 PolarHBondContact O-N 3.41Å; M1-L5 PolarHBondContact O-N 2.78Å
2I66.3Low63Low158 Ų158117.1 Ų117.181%0.8162%0.62SS**Hα-helixtrans-58.2-38.2177.4-69.6164.3000113.1F4 L5 G6I2-F4 VanDerWaalsContact C-N 3.27Å; I2-F4 PolarHBondContact O-N 3.36Å; I2-L5 PolarHBondContact O-N 3.45Å; I2-G6 PolarHBondContact O-N 3.23Å
3L58Low63.8Low161 Ų161118.7 Ų118.784%0.84362%0.622SS**Hα-helixtrans-63.8-29179.7-138.5102.8000113.7M1M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.95Å
4F65Low64.5Low157 Ų157118.4 Ų118.469%0.68962%0.62SS**Hα-helixtrans-82.2-28.3-179.4-144-89.5000111.8M1 I2 G6 S7M1-F4 PolarHBondContact O-N 3.41Å; I2-F4 VanDerWaalsContact C-N 3.27Å; I2-F4 PolarHBondContact O-N 3.36Å; F4-G6 VanDerWaalsContact C-N 3.27Å; F4-S7 PolarHBondContact O-OG 3.14Å
5L60.9Low65.5Low97 Ų97120 Ų12051%0.50862%0.621SS.*Hα-helixtrans-70.1-28.2171.1-149.780000111.4M1 I2 L11M1-L5 PolarHBondContact O-N 2.78Å; I2-L5 PolarHBondContact O-N 3.45Å; L5-L11 HydrophobicContact CD2-CD2 4.34Å
6G62.7Low66.7Low42 Ų42114.6 Ų114.643%0.43360%0.599SS.*Hα-helixtrans-77.7-28.918000000115.5I2 F4I2-G6 PolarHBondContact O-N 3.23Å; F4-G6 VanDerWaalsContact C-N 3.27Å
7S66.7Low67.6Low85 Ų85114 Ų11459%0.59459%0.592SS**Hα-helixtrans-84.9-21.4176.8570000113.2F4F4-S7 PolarHBondContact O-OG 3.14Å
8H59.9Low68.6Low109 Ų109111.8 Ų111.851%0.50559%0.585SS.*SBendtrans-81.3132172.7-122-16.3000108.2L10H8-L10 HydrophobicContact CB-CD1 4.19Å; H8-L10 HydrophobicContact CB-CG 4.21Å; H8-L10 PolarHBondContact O-N 3.27Å
9H63.4Low69.5Low153 Ų153113.7 Ų113.771%0.70859%0.585SS**THydrogen-bonded Turntrans-49.68.3179.6-53.5-79.4000116.7P12 E13H9-P12 WeakPolarHBondContact O-CD 2.96Å; H9-P12 WeakPolarHBondContact O-CG 3.41Å; H9-E13 WeakPolarHBondContact O-CG 3.32Å
10L63.1Low70.3Confident92 Ų92109.6 Ų109.648%0.48256%0.564SS.*Hα-helixtrans-74.1-43.2-178.8-58.8173.6000113.3H8 E13 L14H8-L10 HydrophobicContact CB-CD1 4.19Å; H8-L10 HydrophobicContact CB-CG 4.21Å; H8-L10 PolarHBondContact O-N 3.27Å; L10-E13 PolarHBondContact O-N 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 2.94Å; L10-L14 VanDerWaalsContact O-N 3.13Å
11L67Low71.1Confident61 Ų61110.3 Ų110.332%0.31956%0.559SS.*Hα-helixtrans-56.9-49.6179.9-70.8-172.9000113.2L5 E13 L14 F15L5-L11 HydrophobicContact CD2-CD2 4.34Å; L11-E13 VanDerWaalsContact C-N 3.29Å; L11-E13 PolarHBondContact O-N 3.3Å; L11-L14 PolarHBondContact O-N 2.86Å; L11-F15 WeakPolarHBondContact O-CD2 3.36Å; L11-F15 PolarHBondContact O-N 3.42Å
12P69Low72.7Confident79 Ų79105.3 Ų105.351%0.51354%0.536SS..Hα-helixtrans-62.7-35.6-179.621.4-30.5000112.2H9 F15 A16H9-P12 WeakPolarHBondContact O-CD 2.96Å; H9-P12 WeakPolarHBondContact O-CG 3.41Å; P12-F15 PolarHBondContact O-N 3.01Å; P12-A16 WeakPolarHBondContact O-CA 3.26Å; P12-A16 WeakPolarHBondContact O-CB 3.46Å; P12-A16 PolarHBondContact O-N 3.37Å
13E74.2Confident73.7Confident138 Ų138103.5 Ų103.565%0.64552%0.519SS*.Hα-helixtrans-66.1-39.7178.3-65.7-66.4162.200112.7H9 L10 L11 F15 A16 H17H9-E13 WeakPolarHBondContact O-CG 3.32Å; L10-E13 PolarHBondContact O-N 3.27Å; L11-E13 VanDerWaalsContact C-N 3.29Å; L11-E13 PolarHBondContact O-N 3.3Å; E13-F15 PolarHBondContact O-N 2.85Å; E13-A16 PolarHBondContact O-N 3.28Å; E13-H17 PolarHBondContact O-N 3.28Å
14L72.8Confident75.1Confident114 Ų11496.1 Ų96.160%0.59748%0.48SS*.Hα-helixtrans-62.1-44.6176.7-68.4173.8000111.6L10 L11L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 2.94Å; L10-L14 VanDerWaalsContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 2.86Å
15F80.6Confident76.1Confident143 Ų14394 Ų9463%0.62748%0.48SS*.Hα-helixtrans-77-27.7177.5-66.6-67.3000112.5L11 P12 E13 H17 T18 Y19L11-F15 WeakPolarHBondContact O-CD2 3.36Å; L11-F15 PolarHBondContact O-N 3.42Å; P12-F15 PolarHBondContact O-N 3.01Å; E13-F15 PolarHBondContact O-N 2.85Å; F15-H17 VanDerWaalsContact C-N 3.34Å; F15-H17 PolarHBondContact O-N 3.18Å; F15-T18 PolarHBondContact O-N 3.01Å; F15-Y19 VanDerWaalsContact O-CB 3.25Å; F15-Y19 WeakPolarHBondContact O-CB 3.49Å; F15-Y19 PolarHBondContact O-N 2.61Å
16A83.2Confident77.5Confident33 Ų3399.6 Ų99.627%0.27349%0.494SS..Hα-helixtrans-58.8-45.6178.100000110.9P12 E13 T18 Y19 D20P12-A16 WeakPolarHBondContact O-CA 3.26Å; P12-A16 WeakPolarHBondContact O-CB 3.46Å; P12-A16 PolarHBondContact O-N 3.37Å; E13-A16 PolarHBondContact O-N 3.28Å; A16-T18 PolarHBondContact O-N 3.33Å; A16-Y19 WeakPolarHBondContact O-CB 3.49Å; A16-Y19 PolarHBondContact O-N 2.85Å; A16-D20 PolarHBondContact O-N 3.28Å
17H82.6Confident78.9Confident105 Ų105100.5 Ų100.549%0.48649%0.489SS..Hα-helixtrans-58.6-48.1176.6-176.880.1000112.4E13 F15 Y19 D20 R21E13-H17 PolarHBondContact O-N 3.28Å; F15-H17 VanDerWaalsContact C-N 3.34Å; F15-H17 PolarHBondContact O-N 3.18Å; H17-Y19 VanDerWaalsContact C-N 3.32Å; H17-Y19 PolarHBondContact O-N 2.89Å; H17-D20 PolarHBondContact O-N 3.24Å; H17-R21 WeakPolarHBondContact O-CG 3.28Å; H17-R21 PolarHBondContact O-N 2.93Å; H17-R21 VanDerWaalsContact O-N 3.1Å
18T85.3Confident79.8Confident75 Ų7597 Ų9746%0.4647%0.465SS..Hα-helixtrans-63.8-41.4180-54.30000110.8F15 A16 R21 I22F15-T18 PolarHBondContact O-N 3.01Å; A16-T18 PolarHBondContact O-N 3.33Å; T18-R21 PolarHBondContact O-N 3.08Å; T18-I22 HydrophobicContact CG2-CD1 4.17Å; T18-I22 WeakPolarHBondContact O-CG1 3.4Å; T18-I22 PolarHBondContact O-N 3.34Å; T18-I22 VanDerWaalsContact O-N 3.08Å
19Y85.7Confident81.2Confident148 Ų14896 Ų9658%0.5846%0.459SS*.Hα-helixtrans-61-44.7176.6178.9-102.9000111.9F15 A16 H17 R21 I22 R23F15-Y19 VanDerWaalsContact O-CB 3.25Å; F15-Y19 WeakPolarHBondContact O-CB 3.49Å; F15-Y19 PolarHBondContact O-N 2.61Å; A16-Y19 WeakPolarHBondContact O-CB 3.49Å; A16-Y19 PolarHBondContact O-N 2.85Å; H17-Y19 VanDerWaalsContact C-N 3.32Å; H17-Y19 PolarHBondContact O-N 2.89Å; Y19-R21 VanDerWaalsContact C-N 3.33Å; Y19-R21 PolarHBondContact O-N 3.13Å; Y19-I22 PolarHBondContact O-N 2.88Å; Y19-R23 WeakPolarHBondContact O-CB 3.41Å; Y19-R23 PolarHBondContact O-N 3.5Å
20D85.7Confident82.4Confident31 Ų3192.5 Ų92.517%0.16645%0.445CS..Hα-helixtrans-63.1-39.9177.8-67.8-42000112A16 H17 R23 L24 K35A16-D20 PolarHBondContact O-N 3.28Å; H17-D20 PolarHBondContact O-N 3.24Å; D20-R23 PolarHBondContact O-N 3.36Å; D20-L24 WeakPolarHBondContact O-CB 3.35Å; D20-L24 VanDerWaalsContact O-CG 3.24Å; D20-L24 WeakPolarHBondContact O-CG 3.38Å; D20-L24 PolarHBondContact O-N 2.92Å; D20-K35 HydrophobicContact CB-CD 3.88Å; D20-K35 IonicContact OD2-NZ 2.95Å; D20-K35 PolarHBondContact OD2-NZ 2.99Å
21R86.7Confident83.5Confident124 Ų12491 Ų9147%0.46844%0.437SS..Hα-helixtrans-62.4-45.2175.7-69.1-61.8-168.7-179.85.2111.9H17 T18 Y19 R23 L24 V25H17-R21 WeakPolarHBondContact O-CG 3.28Å; H17-R21 PolarHBondContact O-N 2.93Å; H17-R21 VanDerWaalsContact O-N 3.1Å; T18-R21 PolarHBondContact O-N 3.08Å; Y19-R21 VanDerWaalsContact C-N 3.33Å; Y19-R21 PolarHBondContact O-N 3.13Å; R21-R23 VanDerWaalsContact C-N 3.29Å; R21-R23 PolarHBondContact O-N 2.87Å; R21-L24 PolarHBondContact O-N 3.22Å; R21-V25 WeakPolarHBondContact O-CG2 3.39Å; R21-V25 PolarHBondContact O-N 3.2Å
22I88.3Confident84.4Confident107 Ų10789.8 Ų89.855%0.54943%0.433SS..Hα-helixtrans-62.3-40.5176.4-66.1166.8000110.7T18 Y19 V25 R26T18-I22 HydrophobicContact CG2-CD1 4.17Å; T18-I22 WeakPolarHBondContact O-CG1 3.4Å; T18-I22 PolarHBondContact O-N 3.34Å; T18-I22 VanDerWaalsContact O-N 3.08Å; Y19-I22 PolarHBondContact O-N 2.88Å; I22-V25 PolarHBondContact O-N 2.96Å; I22-R26 PolarHBondContact O-N 3.43Å
23R87.3Confident85.2Confident119 Ų11995.9 Ų95.945%0.44945%0.448SS..Hα-helixtrans-64.2-42.3178.2-174.6175.4-179.3-167.3-3.1112Y19 D20 R21 R26 D27 L30Y19-R23 WeakPolarHBondContact O-CB 3.41Å; Y19-R23 PolarHBondContact O-N 3.5Å; D20-R23 PolarHBondContact O-N 3.36Å; R21-R23 VanDerWaalsContact C-N 3.29Å; R21-R23 PolarHBondContact O-N 2.87Å; R23-R26 WeakPolarHBondContact O-CB 3.43Å; R23-R26 PolarHBondContact O-N 3.23Å; R23-D27 PolarHBondContact O-N 3.49Å; R23-D27 VanDerWaalsContact O-N 3.13Å; R23-L30 HydrophobicContact CG-CD1 3.55Å
24L87.4Confident85.9Confident7 Ų791.2 Ų91.24%0.03744%0.437CS..Hα-helixtrans-71.6-28.2178.3-70.3168.5000113.8D20 R21 R26 D27 P28 D31 K35 M39D20-L24 WeakPolarHBondContact O-CB 3.35Å; D20-L24 VanDerWaalsContact O-CG 3.24Å; D20-L24 WeakPolarHBondContact O-CG 3.38Å; D20-L24 PolarHBondContact O-N 2.92Å; R21-L24 PolarHBondContact O-N 3.22Å; L24-R26 VanDerWaalsContact C-N 3.26Å; L24-R26 PolarHBondContact O-N 3Å; L24-D27 CarbonylContact O-C 3.22Å; L24-D27 VanDerWaalsContact O-C 3.22Å; L24-P28 VanDerWaalsContact O-CA 3.29Å; L24-P28 WeakPolarHBondContact O-CA 3.46Å; L24-P28 VanDerWaalsContact O-N 3.1Å; L24-D31 HydrophobicContact CD2-CB 4.47Å; L24-K35 VanDerWaalsContact CD1-C 3.49Å; L24-K35 HydrophobicContact CD1-CB 3.54Å; L24-K35 WeakPolarHBondContact CD1-O 3.32Å; L24-M39 HydrophobicContact CB-CE 3.64Å; L24-M39 HydrophobicContact CB-SD 4.46Å; L24-M39 HydrophobicContact CD1-CE 4.3Å
25V86.3Confident86.5Confident112 Ų11291.2 Ų91.268%0.67943%0.432SS*.Hα-helixtrans-64-36.8170.9167.80000110.8R21 I22R21-V25 WeakPolarHBondContact O-CG2 3.39Å; R21-V25 PolarHBondContact O-N 3.2Å; I22-V25 PolarHBondContact O-N 2.96Å
26R90Very high86.9Confident214 Ų21484.4 Ų84.481%0.80840%0.402SS*.Hα-helixtrans-70.4-45.2177-177.2-176.3-67.8156.9-0.9111.8I22 R23 L24I22-R26 PolarHBondContact O-N 3.43Å; R23-R26 WeakPolarHBondContact O-CB 3.43Å; R23-R26 PolarHBondContact O-N 3.23Å; L24-R26 VanDerWaalsContact C-N 3.26Å; L24-R26 PolarHBondContact O-N 3Å
27D91Very high87.2Confident61 Ų6185.6 Ų85.633%0.32640%0.401SS..  trans-145.1104.2177.21801.2000110.1R23 L24 F29 L30R23-D27 PolarHBondContact O-N 3.49Å; R23-D27 VanDerWaalsContact O-N 3.13Å; L24-D27 CarbonylContact O-C 3.22Å; L24-D27 VanDerWaalsContact O-C 3.22Å; D27-F29 PolarHBondContact O-N 3.45Å; D27-F29 PolarHBondContact OD1-N 3.41Å; D27-L30 HydrophobicContact CB-CD1 3.77Å; D27-L30 HydrophobicContact CB-CG 3.73Å; D27-L30 PolarHBondContact O-N 2.95Å
28P86.9Confident87.6Confident13 Ų1383 Ų838%0.08439%0.389CS..G310 helixtrans-72.3-15.1-177.430.8-36000112.5L24 M39 Y43L24-P28 VanDerWaalsContact O-CA 3.29Å; L24-P28 WeakPolarHBondContact O-CA 3.46Å; L24-P28 VanDerWaalsContact O-N 3.1Å; P28-M39 HydrophobicContact CB-CB 3.84Å; P28-Y43 HydrophobicContact CB-CD2 4.2Å; P28-Y43 HydrophobicContact CB-CE2 4.08Å; P28-Y43 HydrophobicContact CG-CD2 3.75Å; P28-Y43 HydrophobicContact CG-CE2 3.57Å
29F89.3Confident87.8Confident88 Ų8881.1 Ų81.139%0.38638%0.375SS..G310 helixtrans-92.53.9-178.5-55.6-76.2000113.1D27 D31 P32 Y43 Y44D27-F29 PolarHBondContact O-N 3.45Å; D27-F29 PolarHBondContact OD1-N 3.41Å; F29-D31 VanDerWaalsContact C-N 3.26Å; F29-D31 PolarHBondContact O-N 3.08Å; F29-P32 WeakPolarHBondContact O-CD 3.38Å; F29-Y43 HydrophobicContact CZ-CG 4.42Å; F29-Y44 HydrophobicContact CE1-CE1 4.2Å; F29-Y44 HydrophobicContact CE1-CE2 4.11Å; F29-Y44 AromaticContact CE1-CZ 3.76Å
30L88.1Confident88.1Confident79 Ų7974.1 Ų74.141%0.41435%0.348SS..G310 helixtrans-63.5-32.7174.5-78.4169.6000113.2R23 D27R23-L30 HydrophobicContact CG-CD1 3.55Å; D27-L30 HydrophobicContact CB-CD1 3.77Å; D27-L30 HydrophobicContact CB-CG 3.73Å; D27-L30 PolarHBondContact O-N 2.95Å
31D87.2Confident88.4Confident60 Ų6073.3 Ų73.332%0.32134%0.344SS..SBendtrans-143.572178.7-178.516.7000109.8L24 F29 Y33 G34 K35 G36 F37L24-D31 HydrophobicContact CD2-CB 4.47Å; F29-D31 VanDerWaalsContact C-N 3.26Å; F29-D31 PolarHBondContact O-N 3.08Å; D31-Y33 PolarHBondContact O-N 3.24Å; D31-G34 PolarHBondContact O-N 2.89Å; D31-G34 WeakPolarHBondContact OD1-CA 3.44Å; D31-G34 PolarHBondContact OD1-N 3.31Å; D31-G34 VanDerWaalsContact OD2-CA 3.27Å; D31-G34 WeakPolarHBondContact OD2-CA 3.28Å; D31-K35 PolarHBondContact OD2-N 3.45Å; D31-G36 CarbonylContact O-C 3.38Å; D31-G36 WeakPolarHBondContact O-CA 3.2Å; D31-G36 PolarHBondContact O-N 3.35Å; D31-F37 PolarHBondContact O-N 3.37Å
32P84.8Confident88.7Confident36 Ų3667.8 Ų67.823%0.23432%0.324CS..THydrogen-bonded Turntrans-73.3-10.4-172.930.8-32.6000112.5F29 F37F29-P32 WeakPolarHBondContact O-CD 3.38Å; P32-F37 WeakPolarHBondContact O-CA 3.36Å; P32-F37 WeakPolarHBondContact O-CB 3.48Å; P32-F37 VanDerWaalsContact O-CD2 3.22Å; P32-F37 WeakPolarHBondContact O-CD2 3.5Å
33Y86.8Confident89Confident207 Ų20768.8 Ų68.881%0.81232%0.322SS*.THydrogen-bonded Turntrans-109.4-10.4178.9-58.6-68000113.5D31D31-Y33 PolarHBondContact O-N 3.24Å
34G87.8Confident89.3Confident40 Ų4068.6 Ų68.641%0.41232%0.322SS..THydrogen-bonded Turntrans-114.7-115.2175.900000112.2D31 G36 F37D31-G34 PolarHBondContact O-N 2.89Å; D31-G34 WeakPolarHBondContact OD1-CA 3.44Å; D31-G34 PolarHBondContact OD1-N 3.31Å; D31-G34 VanDerWaalsContact OD2-CA 3.27Å; D31-G34 WeakPolarHBondContact OD2-CA 3.28Å; G34-G36 PolarHBondContact O-N 3.45Å; G34-F37 VanDerWaalsContact O-CB 3.3Å; G34-F37 WeakPolarHBondContact O-CB 3.33Å; G34-F37 PolarHBondContact O-N 2.95Å; G34-F37 VanDerWaalsContact O-N 3.16Å
35K85.5Confident89.6Confident114 Ų11468.3 Ų68.350%0.49632%0.32SS..THydrogen-bonded Turntrans-67.4-24.9-170.7-65.6175.8-179165.70113D20 L24 D31D20-K35 HydrophobicContact CB-CD 3.88Å; D20-K35 IonicContact OD2-NZ 2.95Å; D20-K35 PolarHBondContact OD2-NZ 2.99Å; L24-K35 VanDerWaalsContact CD1-C 3.49Å; L24-K35 HydrophobicContact CD1-CB 3.54Å; L24-K35 WeakPolarHBondContact CD1-O 3.32Å; D31-K35 PolarHBondContact OD2-N 3.45Å
36G88.1Confident89.9Confident0 Ų065.5 Ų65.50%030%0.301CS..THydrogen-bonded Turntrans-91.8-1.917700000114.7D31 G34 Q38 M39 S40D31-G36 CarbonylContact O-C 3.38Å; D31-G36 WeakPolarHBondContact O-CA 3.2Å; D31-G36 PolarHBondContact O-N 3.35Å; G34-G36 PolarHBondContact O-N 3.45Å; G36-Q38 PolarHBondContact O-N 3.38Å; G36-M39 PolarHBondContact O-N 3.11Å; G36-M39 VanDerWaalsContact O-N 3.13Å; G36-S40 WeakPolarHBondContact O-CB 3.49Å; G36-S40 PolarHBondContact O-N 2.92Å; G36-S40 PolarHBondContact O-OG 3.31Å
37F90.3Very high90.1Very high58 Ų5864.5 Ų64.525%0.25430%0.299SS..Hα-helixtrans-54.2-49-175.6178-96.7000113.2D31 P32 G34 M39 S40 N41 Y65 P67D31-F37 PolarHBondContact O-N 3.37Å; P32-F37 WeakPolarHBondContact O-CA 3.36Å; P32-F37 WeakPolarHBondContact O-CB 3.48Å; P32-F37 VanDerWaalsContact O-CD2 3.22Å; P32-F37 WeakPolarHBondContact O-CD2 3.5Å; G34-F37 VanDerWaalsContact O-CB 3.3Å; G34-F37 WeakPolarHBondContact O-CB 3.33Å; G34-F37 PolarHBondContact O-N 2.95Å; G34-F37 VanDerWaalsContact O-N 3.16Å; F37-M39 PolarHBondContact O-N 2.97Å; F37-S40 PolarHBondContact O-OG 3.24Å; F37-S40 VanDerWaalsContact O-OG 3.09Å; F37-N41 WeakPolarHBondContact CD2-ND2 3.34Å; F37-N41 WeakPolarHBondContact CE1-ND2 3.34Å; F37-N41 WeakPolarHBondContact CE2-ND2 3.48Å; F37-N41 WeakPolarHBondContact CZ-ND2 3.28Å; F37-N41 WeakPolarHBondContact O-CB 3.32Å; F37-N41 PolarHBondContact O-N 3.26Å; F37-N41 PolarHBondContact O-ND2 3.25Å; F37-Y65 WeakPolarHBondContact CE1-O 3.47Å; F37-Y65 VanDerWaalsContact CZ-O 3.26Å; F37-Y65 WeakPolarHBondContact CZ-O 3.38Å; F37-P67 HydrophobicContact CE1-CG 4.46Å
38Q90.3Very high90.2Very high49 Ų4963.6 Ų63.623%0.22929%0.294CS..Hα-helixtrans-66.8-38179.8-61.9-74.21200112.4G36 S42 L66 F73G36-Q38 PolarHBondContact O-N 3.38Å; Q38-S42 WeakPolarHBondContact O-CB 3.46Å; Q38-S42 PolarHBondContact O-N 3.29Å; Q38-S42 VanDerWaalsContact O-N 3.09Å; Q38-S42 PolarHBondContact O-OG 3.49Å; Q38-L66 WeakPolarHBondContact O-CD1 3.45Å; Q38-F73 HydrophobicContact CB-CD2 4.43Å; Q38-F73 HydrophobicContact CB-CE2 3.55Å; Q38-F73 HydrophobicContact CB-CZ 3.84Å; Q38-F73 HydrophobicContact CG-CE2 4.41Å
39M90.4Very high90.5Very high37 Ų3763.1 Ų63.118%0.18229%0.292CS..Hα-helixtrans-71.4-46.7178.4-69.3-159.8-127.700111.8L24 P28 G36 F37 N41 S42 Y43 F73L24-M39 HydrophobicContact CB-CE 3.64Å; L24-M39 HydrophobicContact CB-SD 4.46Å; L24-M39 HydrophobicContact CD1-CE 4.3Å; P28-M39 HydrophobicContact CB-CB 3.84Å; G36-M39 PolarHBondContact O-N 3.11Å; G36-M39 VanDerWaalsContact O-N 3.13Å; F37-M39 PolarHBondContact O-N 2.97Å; M39-N41 PolarHBondContact O-N 3.23Å; M39-S42 PolarHBondContact O-N 3.46Å; M39-S42 PolarHBondContact O-OG 2.98Å; M39-Y43 WeakPolarHBondContact O-CD2 3.36Å; M39-Y43 PolarHBondContact O-N 3.36Å; M39-Y43 VanDerWaalsContact O-N 3.11Å; M39-F73 HydrophobicContact CG-CZ 4.46Å
40S92.5Very high90.8Very high0 Ų060.6 Ų60.60%029%0.291CS..Hα-helixtrans-62.7-42.8179.254.10000112G36 F37 S42 Y43 Y44G36-S40 WeakPolarHBondContact O-CB 3.49Å; G36-S40 PolarHBondContact O-N 2.92Å; G36-S40 PolarHBondContact O-OG 3.31Å; F37-S40 PolarHBondContact O-OG 3.24Å; F37-S40 VanDerWaalsContact O-OG 3.09Å; S40-S42 VanDerWaalsContact C-N 3.34Å; S40-S42 PolarHBondContact O-N 2.77Å; S40-Y43 WeakPolarHBondContact O-CB 3.47Å; S40-Y43 PolarHBondContact O-N 3.36Å; S40-Y44 WeakPolarHBondContact O-CD2 3.41Å; S40-Y44 PolarHBondContact O-N 2.88Å
41N92.4Very high91.1Very high14 Ų1463.9 Ų63.98%0.07530%0.302CS..Hα-helixtrans-68.6-31.1176.3-71.1-24.5000113.2F37 M39 Y43 Y44 A45 T61 Y65 L66F37-N41 WeakPolarHBondContact CD2-ND2 3.34Å; F37-N41 WeakPolarHBondContact CE1-ND2 3.34Å; F37-N41 WeakPolarHBondContact CE2-ND2 3.48Å; F37-N41 WeakPolarHBondContact CZ-ND2 3.28Å; F37-N41 WeakPolarHBondContact O-CB 3.32Å; F37-N41 PolarHBondContact O-N 3.26Å; F37-N41 PolarHBondContact O-ND2 3.25Å; M39-N41 PolarHBondContact O-N 3.23Å; N41-Y43 VanDerWaalsContact C-N 3.35Å; N41-Y44 PolarHBondContact O-N 3.39Å; N41-A45 PolarHBondContact O-N 3.42Å; N41-T61 HydrophobicContact CB-CG2 4.19Å; N41-T61 WeakPolarHBondContact O-CG2 3.35Å; N41-Y65 PolarHBondContact ND2-O 2.98Å; N41-L66 HydrophobicContact CB-CD1 3.55Å
42S92.6Very high91.5Very high9 Ų969.5 Ų69.56%0.06332%0.324CS..Hα-helixtrans-67.9-36.3173.474.20000112.1Q38 M39 S40 A45 L46 F73Q38-S42 WeakPolarHBondContact O-CB 3.46Å; Q38-S42 PolarHBondContact O-N 3.29Å; Q38-S42 VanDerWaalsContact O-N 3.09Å; Q38-S42 PolarHBondContact O-OG 3.49Å; M39-S42 PolarHBondContact O-N 3.46Å; M39-S42 PolarHBondContact O-OG 2.98Å; S40-S42 VanDerWaalsContact C-N 3.34Å; S40-S42 PolarHBondContact O-N 2.77Å; S42-A45 WeakPolarHBondContact O-CB 3.38Å; S42-A45 PolarHBondContact O-N 3.43Å; S42-L46 WeakPolarHBondContact O-CG 3.35Å; S42-L46 PolarHBondContact O-N 3.18Å; S42-F73 WeakPolarHBondContact OG-CD1 3.15Å; S42-F73 WeakPolarHBondContact OG-CE1 3.26Å
43Y93.4Very high91.9Very high127 Ų12768.9 Ų68.950%0.49832%0.324SS..Hα-helixtrans-61.5-43.1168.8-83-74.1000112.5P28 F29 M39 S40 N41 A45 L46 Y47P28-Y43 HydrophobicContact CB-CD2 4.2Å; P28-Y43 HydrophobicContact CB-CE2 4.08Å; P28-Y43 HydrophobicContact CG-CD2 3.75Å; P28-Y43 HydrophobicContact CG-CE2 3.57Å; F29-Y43 HydrophobicContact CZ-CG 4.42Å; M39-Y43 WeakPolarHBondContact O-CD2 3.36Å; M39-Y43 PolarHBondContact O-N 3.36Å; M39-Y43 VanDerWaalsContact O-N 3.11Å; S40-Y43 WeakPolarHBondContact O-CB 3.47Å; S40-Y43 PolarHBondContact O-N 3.36Å; N41-Y43 VanDerWaalsContact C-N 3.35Å; Y43-A45 VanDerWaalsContact C-N 3.33Å; Y43-A45 PolarHBondContact O-N 3.47Å; Y43-L46 PolarHBondContact O-N 3.28Å; Y43-Y47 PolarHBondContact O-N 3.48Å
44Y93.5Very high92.3Very high116 Ų11664.3 Ų64.346%0.45531%0.305SS..Hα-helixtrans-63-38.5175.4-67.9-51000112.4F29 S40 N41 Y47 N48F29-Y44 HydrophobicContact CE1-CE1 4.2Å; F29-Y44 HydrophobicContact CE1-CE2 4.11Å; F29-Y44 AromaticContact CE1-CZ 3.76Å; S40-Y44 WeakPolarHBondContact O-CD2 3.41Å; S40-Y44 PolarHBondContact O-N 2.88Å; N41-Y44 PolarHBondContact O-N 3.39Å; Y44-Y47 PolarHBondContact O-N 3.37Å; Y44-N48 WeakPolarHBondContact O-CB 3.33Å; Y44-N48 PolarHBondContact O-N 3.09Å; Y44-N48 PolarHBondContact O-ND2 2.94Å
45A93.9Very high92.5Very high0 Ų064.1 Ų64.10%030%0.303CS..Hα-helixtrans-61.2-45.6175.200000111.9N41 S42 Y43 Y47 N48 G49 T61 I77 E80N41-A45 PolarHBondContact O-N 3.42Å; S42-A45 WeakPolarHBondContact O-CB 3.38Å; S42-A45 PolarHBondContact O-N 3.43Å; Y43-A45 VanDerWaalsContact C-N 3.33Å; Y43-A45 PolarHBondContact O-N 3.47Å; A45-Y47 VanDerWaalsContact C-N 3.32Å; A45-Y47 PolarHBondContact O-N 2.97Å; A45-N48 PolarHBondContact O-N 3.45Å; A45-G49 PolarHBondContact O-N 3.45Å; A45-T61 WeakPolarHBondContact CA-OG1 3.42Å; A45-T61 HydrophobicContact CB-CG2 4.08Å; A45-T61 WeakPolarHBondContact CB-OG1 3.29Å; A45-I77 HydrophobicContact CB-CD1 4.21Å; A45-E80 HydrophobicContact CB-CB 4.42Å; A45-E80 WeakPolarHBondContact O-CB 3.44Å
46L94.2Very high92.8Very high53 Ų5365.1 Ų65.128%0.27731%0.313SS..Hα-helixtrans-57.7-45.6175.2-71.1171.2000111.6S42 Y43 Y75 V79S42-L46 WeakPolarHBondContact O-CG 3.35Å; S42-L46 PolarHBondContact O-N 3.18Å; Y43-L46 PolarHBondContact O-N 3.28Å; L46-Y75 HydrophobicContact CD2-CD1 4.22Å; L46-Y75 HydrophobicContact CD2-CE1 4.1Å; L46-V79 HydrophobicContact CD2-CB 3.78Å; L46-V79 HydrophobicContact CD2-CG1 3.96Å; L46-V79 HydrophobicContact CD2-CG2 3.8Å
47Y93.8Very high92.9Very high194 Ų19467.5 Ų67.576%0.76134%0.338SS*.Hα-helixtrans-64.2-41.3177.5178.4-99.6000112.3Y43 Y44 A45 G49 G50Y43-Y47 PolarHBondContact O-N 3.48Å; Y44-Y47 PolarHBondContact O-N 3.37Å; A45-Y47 VanDerWaalsContact C-N 3.32Å; A45-Y47 PolarHBondContact O-N 2.97Å; Y47-G49 PolarHBondContact O-N 3.3Å; Y47-G50 PolarHBondContact O-N 2.99Å
48N93.4Very high92.9Very high41 Ų4168.9 Ų68.922%0.21935%0.348CS..Hα-helixtrans-65.7-23.4-177.2-78.4-25.2000114.2Y44 A45 R54 E80Y44-N48 WeakPolarHBondContact O-CB 3.33Å; Y44-N48 PolarHBondContact O-N 3.09Å; Y44-N48 PolarHBondContact O-ND2 2.94Å; A45-N48 PolarHBondContact O-N 3.45Å; N48-R54 PolarHBondContact O-NE 3.02Å; N48-R54 PolarHBondContact O-NH2 3.32Å; N48-E80 HydrophobicContact CB-CG 3.96Å
49G93.4Very high92.9Very high4 Ų466.6 Ų66.64%0.04134%0.337CS..Hα-helixtrans-68.3-32.7179.700000114.7A45 Y47 G53 V79 E80A45-G49 PolarHBondContact O-N 3.45Å; Y47-G49 PolarHBondContact O-N 3.3Å; G49-G53 WeakPolarHBondContact O-CA 3.37Å; G49-G53 PolarHBondContact O-N 3Å; G49-V79 WeakPolarHBondContact CA-O 3.43Å; G49-E80 VanDerWaalsContact CA-CA 3.5Å; G49-E80 WeakPolarHBondContact CA-O 3.35Å
50G94.1Very high92.8Very high35 Ų3568.3 Ų68.336%0.36135%0.346SS..THydrogen-bonded Turntrans53.6-156.4-173.400000112.9Y47 V84Y47-G50 PolarHBondContact O-N 2.99Å; G50-V84 VanDerWaalsContact O-CG2 3.27Å; G50-V84 WeakPolarHBondContact O-CG2 3.09Å; G50-V84 PolarHBondContact O-N 3.03Å
51F95.1Very high92.5Very high148 Ų14868.5 Ų68.565%0.64935%0.348SS*.THydrogen-bonded Turntrans-73.8-37.3-176.7-74.7-83.6000114.1V84 I85F51-V84 PolarHBondContact O-N 3.33Å; F51-I85 HydrophobicContact CD1-CG1 4.49Å; F51-I85 PolarHBondContact O-N 2.82Å
52F94.4Very high92.2Very high177 Ų17772.3 Ų72.378%0.77636%0.363SS*.THydrogen-bonded Turntrans-112.9-2.6-170.4-62.3-73.9000114.7L82 I85F52-L82 CarbonylContact C-O 3.17Å; F52-I85 HydrophobicContact CE1-CD1 4.25Å
53G95Very high91.8Very high23 Ų2379 Ų7924%0.23739%0.391CS..  trans82.4174.4-179.300000113.7G49 E80 G83G49-G53 WeakPolarHBondContact O-CA 3.37Å; G49-G53 PolarHBondContact O-N 3Å; G53-E80 WeakPolarHBondContact CA-O 3.44Å; G53-G83 VanDerWaalsContact CA-N 3.26Å
54R93.8Very high91.2Very high112 Ų11275.2 Ų75.242%0.42339%0.391SS..SBendtrans-92.6-9.1173.7-63.4-67.7-175.2122.84.5113.6N48 N58 E80 E81N48-R54 PolarHBondContact O-NE 3.02Å; N48-R54 PolarHBondContact O-NH2 3.32Å; R54-N58 PolarHBondContact O-ND2 3.32Å; R54-E80 WeakPolarHBondContact CB-O 3.34Å; R54-E80 HydrophobicContact CG-CG 4.31Å; R54-E80 WeakPolarHBondContact CG-O 3.36Å; R54-E80 PolarHBondContact N-O 3.05Å; R54-E81 PolarHBondContact N-O 3.08Å
55G92.9Very high90.7Very high35 Ų3576.1 Ų76.136%0.36140%0.395SS..  trans99.7147-170.300000112.4G57 N58 E81G55-G57 PolarHBondContact O-N 3.49Å; G55-N58 WeakPolarHBondContact O-CB 3.24Å; G55-N58 PolarHBondContact O-N 3.42Å; G55-E81 CarbonylContact C-O 3.55Å; G55-E81 WeakPolarHBondContact CA-O 3.35Å; G55-E81 PolarHBondContact N-O 3.02Å
56L91.9Very high90.2Very high135 Ų13576.1 Ų76.171%0.70740%0.395SS*.THydrogen-bonded Turntrans-55.8131.4-179.7-76.6173.2000112.1N58 L82L56-N58 PolarHBondContact O-N 3.31Å; L56-L82 HydrophobicContact CD1-CD2 4.41Å; L56-L82 HydrophobicContact CD2-CD1 4.37Å; L56-L82 HydrophobicContact CD2-CD2 3.45Å; L56-L82 VanDerWaalsContact CD2-CD2 3.45Å; L56-L82 HydrophobicContact CD2-CG 3.96Å; L56-L82 HydrophobicContact CG-CD2 3.75Å
57G89.2Confident89.2Confident51 Ų5177.5 Ų77.553%0.52641%0.407SS..THydrogen-bonded Turntrans70.21.2-177.400000115.1G55 E81G55-G57 PolarHBondContact O-N 3.49Å; G57-E81 WeakPolarHBondContact CA-OE1 3.48Å; G57-E81 PolarHBondContact N-OE1 3.26Å; G57-E81 PolarHBondContact N-OE2 3.29Å
58N90.8Very high88.7Confident86 Ų8671.2 Ų71.246%0.4639%0.389SS..  trans-101.825.6179.9-159.330.5000113.2R54 G55 L56 I60R54-N58 PolarHBondContact O-ND2 3.32Å; G55-N58 WeakPolarHBondContact O-CB 3.24Å; G55-N58 PolarHBondContact O-N 3.42Å; L56-N58 PolarHBondContact O-N 3.31Å; N58-I60 PolarHBondContact O-N 3.35Å
59S89.4Confident88.1Confident1 Ų169.4 Ų69.41%0.00738%0.379CS..  trans-63.4132.5168.9165.40000110.5T61 K62 K63 E80 E81S59-T61 PolarHBondContact OG-N 3.39Å; S59-K62 WeakPolarHBondContact OG-CB 3.15Å; S59-K62 PolarHBondContact OG-N 3.37Å; S59-K63 WeakPolarHBondContact O-CE 3.45Å; S59-E80 WeakPolarHBondContact CB-OE2 3.2Å; S59-E80 VanDerWaalsContact OG-CD 3.25Å; S59-E80 PolarHBondContact OG-OE2 3.43Å; S59-E81 VanDerWaalsContact CB-OE1 3.32Å; S59-E81 WeakPolarHBondContact CB-OE1 3.25Å
60I88.6Confident87.5Confident74 Ų7475.1 Ų75.138%0.37941%0.405SS..SBendtrans-79.9-43.6173.6-59.3167.3000108.3N58 K62 K63 Y65 E80N58-I60 PolarHBondContact O-N 3.35Å; I60-K62 VanDerWaalsContact C-N 3.32Å; I60-K62 PolarHBondContact O-N 2.91Å; I60-K63 PolarHBondContact O-N 3.27Å; I60-Y65 HydrophobicContact CG2-CE2 4.34Å; I60-E80 PolarHBondContact N-OE1 3.33Å
61T87Confident87.2Confident4 Ų477.7 Ų77.73%0.02541%0.414CS..G310 helixtrans-68.1-32.5-173.6-15.90000112.3N41 A45 S59 K63 Y65 L66 E80N41-T61 HydrophobicContact CB-CG2 4.19Å; N41-T61 WeakPolarHBondContact O-CG2 3.35Å; A45-T61 WeakPolarHBondContact CA-OG1 3.42Å; A45-T61 HydrophobicContact CB-CG2 4.08Å; A45-T61 WeakPolarHBondContact CB-OG1 3.29Å; S59-T61 PolarHBondContact OG-N 3.39Å; T61-K63 VanDerWaalsContact C-N 3.27Å; T61-K63 PolarHBondContact O-N 2.79Å; T61-Y65 HydrophobicContact CG2-CG 4.45Å; T61-Y65 CarbonylContact O-C 3.57Å; T61-Y65 PolarHBondContact O-N 3.03Å; T61-Y65 VanDerWaalsContact O-N 3.11Å; T61-L66 PolarHBondContact O-N 3.34Å; T61-E80 WeakPolarHBondContact CB-OE2 3.5Å; T61-E80 PolarHBondContact N-OE1 2.89Å; T61-E80 PolarHBondContact OG1-OE1 3.36Å; T61-E80 PolarHBondContact OG1-OE2 3.08Å
62K86.4Confident86.7Confident93 Ų9376.4 Ų76.440%0.40441%0.414SS..G310 helixtrans-62.5-28.6174.8-176.4176.3-176.1173.40113.7S59 I60 G64 I77S59-K62 WeakPolarHBondContact OG-CB 3.15Å; S59-K62 PolarHBondContact OG-N 3.37Å; I60-K62 VanDerWaalsContact C-N 3.32Å; I60-K62 PolarHBondContact O-N 2.91Å; K62-G64 VanDerWaalsContact C-N 3.26Å; K62-G64 PolarHBondContact O-N 3.21Å; K62-I77 HydrophobicContact CB-CD1 4.12Å; K62-I77 HydrophobicContact CB-CG2 4.42Å; K62-I77 HydrophobicContact CD-CG2 4.19Å
63K83.8Confident86.6Confident149 Ų14969.7 Ų69.765%0.64838%0.384SS*.G310 helixtrans-80.83.8-171.9-67.2176.2-174.8172.10114.9S59 I60 T61S59-K63 WeakPolarHBondContact O-CE 3.45Å; I60-K63 PolarHBondContact O-N 3.27Å; T61-K63 VanDerWaalsContact C-N 3.27Å; T61-K63 PolarHBondContact O-N 2.79Å
64G81Confident86.5Confident49 Ų4972.6 Ų72.651%0.50540%0.397SS..THydrogen-bonded Turntrans166.2-23.9174.200000115.1K62K62-G64 VanDerWaalsContact C-N 3.26Å; K62-G64 PolarHBondContact O-N 3.21Å
65Y82.5Confident86.6Confident134 Ų13470.9 Ų70.953%0.52539%0.391SS..THydrogen-bonded Turntrans-79.6-23.7-179.2-62.6-78.9000112.9F37 N41 I60 T61 P67F37-Y65 WeakPolarHBondContact CE1-O 3.47Å; F37-Y65 VanDerWaalsContact CZ-O 3.26Å; F37-Y65 WeakPolarHBondContact CZ-O 3.38Å; N41-Y65 PolarHBondContact ND2-O 2.98Å; I60-Y65 HydrophobicContact CG2-CE2 4.34Å; T61-Y65 HydrophobicContact CG2-CG 4.45Å; T61-Y65 CarbonylContact O-C 3.57Å; T61-Y65 PolarHBondContact O-N 3.03Å; T61-Y65 VanDerWaalsContact O-N 3.11Å; Y65-P67 WeakPolarHBondContact O-CD 3.41Å
66L84.4Confident86.7Confident0 Ų069.6 Ų69.60%038%0.377CS..  trans-127.574.9-178-146.173.3000110.7Q38 N41 T61 V68 A69 F73 I77Q38-L66 WeakPolarHBondContact O-CD1 3.45Å; N41-L66 HydrophobicContact CB-CD1 3.55Å; T61-L66 PolarHBondContact O-N 3.34Å; L66-V68 PolarHBondContact O-N 3.48Å; L66-V68 VanDerWaalsContact O-N 3.12Å; L66-A69 HydrophobicContact CB-CB 4.09Å; L66-A69 HydrophobicContact CD2-CB 3.92Å; L66-A69 HydrophobicContact CG-CB 4.14Å; L66-A69 VanDerWaalsContact O-CB 3.23Å; L66-A69 WeakPolarHBondContact O-CB 3.27Å; L66-A69 PolarHBondContact O-N 3.44Å; L66-A69 VanDerWaalsContact O-N 3.14Å; L66-F73 HydrophobicContact CD1-CD2 4.47Å; L66-F73 HydrophobicContact CD2-CB 3.44Å; L66-F73 VanDerWaalsContact CD2-CB 3.44Å; L66-F73 HydrophobicContact CD2-CD2 4.47Å; L66-F73 HydrophobicContact CD2-CG 4.08Å; L66-F73 HydrophobicContact CG-CB 4.24Å; L66-F73 HydrophobicContact CG-CD2 4.41Å; L66-F73 HydrophobicContact CG-CG 4.48Å; L66-I77 HydrophobicContact CD2-CD1 3.79Å; L66-I77 HydrophobicContact CD2-CG1 4.21Å
67P73.2Confident86.8Confident82 Ų8263.7 Ų63.753%0.53235%0.346SS..THydrogen-bonded Turntrans-61-24-175.1-22.831.3000114.3F37 Y65F37-P67 HydrophobicContact CE1-CG 4.46Å; Y65-P67 WeakPolarHBondContact O-CD 3.41Å
68V82.3Confident87.1Confident63 Ų6363.4 Ų63.438%0.38233%0.332SS..THydrogen-bonded Turntrans-114.739.9-178-166.30000109L66 E70 T71L66-V68 PolarHBondContact O-N 3.48Å; L66-V68 VanDerWaalsContact O-N 3.12Å; V68-E70 VanDerWaalsContact C-N 3.3Å; V68-T71 WeakPolarHBondContact CG1-OG1 3.41Å
69A81.9Confident87.4Confident2 Ų259.4 Ų59.42%0.01731%0.311CS..THydrogen-bonded Turntrans-67.5-31.4178.600000112.8L66 T71 F73 V74 I77L66-A69 HydrophobicContact CB-CB 4.09Å; L66-A69 HydrophobicContact CD2-CB 3.92Å; L66-A69 HydrophobicContact CG-CB 4.14Å; L66-A69 VanDerWaalsContact O-CB 3.23Å; L66-A69 WeakPolarHBondContact O-CB 3.27Å; L66-A69 PolarHBondContact O-N 3.44Å; L66-A69 VanDerWaalsContact O-N 3.14Å; A69-T71 VanDerWaalsContact C-N 3.31Å; A69-T71 PolarHBondContact O-N 3.32Å; A69-F73 CarbonylContact O-C 3.4Å; A69-V74 WeakPolarHBondContact O-CA 3.37Å; A69-V74 PolarHBondContact O-N 3.48Å; A69-I77 HydrophobicContact CB-CD1 4.26Å; A69-I77 HydrophobicContact CB-CG1 3.68Å
70E80.2Confident87.7Confident125 Ų12559.4 Ų59.458%0.58431%0.311SS*.THydrogen-bonded Turntrans-68.3-28-170.8-9.9-73.2158.300113.4V68V68-E70 VanDerWaalsContact C-N 3.3Å
71T86.5Confident88.1Confident88 Ų8856.8 Ų56.854%0.5430%0.297SS..THydrogen-bonded Turntrans-99.4-63.8-174.665.70000111.7V68 A69V68-T71 WeakPolarHBondContact CG1-OG1 3.41Å; A69-T71 VanDerWaalsContact C-N 3.31Å; A69-T71 PolarHBondContact O-N 3.32Å
72D86.4Confident88.5Confident122 Ų12259.3 Ų59.365%0.65231%0.31SS*.THydrogen-bonded Turntrans-100.1-24.8-162.9-58.50.7000111.1
73F91.5Very high89Confident35 Ų3554.9 Ų54.915%0.15429%0.291CS..SBendtrans-115.821-176.2-56-73.5000113.4Q38 M39 S42 L66 A69 Y75 S76 I77Q38-F73 HydrophobicContact CB-CD2 4.43Å; Q38-F73 HydrophobicContact CB-CE2 3.55Å; Q38-F73 HydrophobicContact CB-CZ 3.84Å; Q38-F73 HydrophobicContact CG-CE2 4.41Å; M39-F73 HydrophobicContact CG-CZ 4.46Å; S42-F73 WeakPolarHBondContact OG-CD1 3.15Å; S42-F73 WeakPolarHBondContact OG-CE1 3.26Å; L66-F73 HydrophobicContact CD1-CD2 4.47Å; L66-F73 HydrophobicContact CD2-CB 3.44Å; L66-F73 VanDerWaalsContact CD2-CB 3.44Å; L66-F73 HydrophobicContact CD2-CD2 4.47Å; L66-F73 HydrophobicContact CD2-CG 4.08Å; L66-F73 HydrophobicContact CG-CB 4.24Å; L66-F73 HydrophobicContact CG-CD2 4.41Å; L66-F73 HydrophobicContact CG-CG 4.48Å; A69-F73 CarbonylContact O-C 3.4Å; F73-Y75 PolarHBondContact O-N 3.13Å; F73-S76 WeakPolarHBondContact O-CB 3.42Å; F73-S76 PolarHBondContact O-N 3.35Å; F73-I77 PolarHBondContact O-N 3.42Å
74V93.6Very high89.7Confident85 Ų8551 Ų5152%0.51528%0.279SS..Hα-helixtrans-58.1-36.2-179.766.70000111A69 S76 I77 L78A69-V74 WeakPolarHBondContact O-CA 3.37Å; A69-V74 PolarHBondContact O-N 3.48Å; V74-S76 PolarHBondContact O-N 3.02Å; V74-I77 PolarHBondContact O-N 3.13Å; V74-L78 WeakPolarHBondContact O-CB 3.44Å; V74-L78 PolarHBondContact O-N 3Å
75Y95Very high90.4Very high75 Ų7553.2 Ų53.229%0.29428%0.278SS..Hα-helixtrans-64.6-37.4175.9-177.5-103.4000113L46 F73 L78 V79 G87 L91L46-Y75 HydrophobicContact CD2-CD1 4.22Å; L46-Y75 HydrophobicContact CD2-CE1 4.1Å; F73-Y75 PolarHBondContact O-N 3.13Å; Y75-L78 WeakPolarHBondContact O-CB 3.41Å; Y75-L78 PolarHBondContact O-N 3.5Å; Y75-V79 HydrophobicContact CD1-CG2 4.35Å; Y75-V79 HydrophobicContact CE1-CG2 3.85Å; Y75-V79 HydrophobicContact CE2-CG2 4.2Å; Y75-V79 WeakPolarHBondContact O-CG2 3.19Å; Y75-V79 PolarHBondContact O-N 3.27Å; Y75-G87 WeakPolarHBondContact CE2-O 3.45Å; Y75-G87 PolarHBondContact OH-O 3.24Å; Y75-L91 HydrophobicContact CE2-CB 4.2Å
76S94.8Very high91.1Very high9 Ų949.6 Ų49.66%0.06327%0.27CS..Hα-helixtrans-68-39.8-179.6-56.30000111.1F73 V74 E80F73-S76 WeakPolarHBondContact O-CB 3.42Å; F73-S76 PolarHBondContact O-N 3.35Å; V74-S76 PolarHBondContact O-N 3.02Å; S76-E80 PolarHBondContact O-N 3.14Å
77I94.9Very high91.7Very high11 Ų1149.6 Ų49.66%0.05627%0.27CS..Hα-helixtrans-68.1-40.4172.7-59.9-47000111.5A45 K62 L66 A69 F73 V74 V79 E80 E81A45-I77 HydrophobicContact CB-CD1 4.21Å; K62-I77 HydrophobicContact CB-CD1 4.12Å; K62-I77 HydrophobicContact CB-CG2 4.42Å; K62-I77 HydrophobicContact CD-CG2 4.19Å; L66-I77 HydrophobicContact CD2-CD1 3.79Å; L66-I77 HydrophobicContact CD2-CG1 4.21Å; A69-I77 HydrophobicContact CB-CD1 4.26Å; A69-I77 HydrophobicContact CB-CG1 3.68Å; F73-I77 PolarHBondContact O-N 3.42Å; V74-I77 PolarHBondContact O-N 3.13Å; I77-V79 VanDerWaalsContact C-N 3.29Å; I77-V79 PolarHBondContact O-N 3.23Å; I77-E80 WeakPolarHBondContact O-CB 3.34Å; I77-E80 PolarHBondContact O-N 3.3Å; I77-E80 VanDerWaalsContact O-N 3.08Å; I77-E81 HydrophobicContact CG2-CG 4.18Å; I77-E81 WeakPolarHBondContact O-CG 3.49Å; I77-E81 PolarHBondContact O-N 3.28Å
78L95.1Very high92.9Very high44 Ų4451 Ų5123%0.2327%0.273CS..Hα-helixtrans-54.8-48.4176.4-175161.5000110.7V74 Y75 E81 L82 V90V74-L78 WeakPolarHBondContact O-CB 3.44Å; V74-L78 PolarHBondContact O-N 3Å; Y75-L78 WeakPolarHBondContact O-CB 3.41Å; Y75-L78 PolarHBondContact O-N 3.5Å; L78-E81 PolarHBondContact O-N 2.9Å; L78-L82 HydrophobicContact CD2-CD1 4.17Å; L78-L82 HydrophobicContact CG-CD1 4.11Å; L78-L82 WeakPolarHBondContact O-CB 3.19Å; L78-L82 PolarHBondContact O-N 3.43Å; L78-V90 HydrophobicContact CD1-CG1 4.16Å; L78-V90 HydrophobicContact CD1-CG2 4.37Å; L78-V90 HydrophobicContact CD2-CG2 4.47Å
79V96.6Very high93.7Very high3 Ų354.8 Ų54.82%0.01828%0.284CS..Hα-helixtrans-65-38.8176.6172.80000111.5L46 G49 Y75 I77 E81 G83 V84L46-V79 HydrophobicContact CD2-CB 3.78Å; L46-V79 HydrophobicContact CD2-CG1 3.96Å; L46-V79 HydrophobicContact CD2-CG2 3.8Å; G49-V79 WeakPolarHBondContact CA-O 3.43Å; Y75-V79 HydrophobicContact CD1-CG2 4.35Å; Y75-V79 HydrophobicContact CE1-CG2 3.85Å; Y75-V79 HydrophobicContact CE2-CG2 4.2Å; Y75-V79 WeakPolarHBondContact O-CG2 3.19Å; Y75-V79 PolarHBondContact O-N 3.27Å; I77-V79 VanDerWaalsContact C-N 3.29Å; I77-V79 PolarHBondContact O-N 3.23Å; V79-E81 VanDerWaalsContact C-N 3.33Å; V79-E81 PolarHBondContact O-N 3.28Å; V79-G83 WeakPolarHBondContact O-CA 3.32Å; V79-G83 PolarHBondContact O-N 3.1Å; V79-V84 HydrophobicContact CG1-CG2 3.78Å
80E96.2Very high94.4Very high0 Ų056.5 Ų56.50%029%0.294CS..Hα-helixtrans-60.4-43.1176.7-166.6-179.2178.500112.2A45 N48 G49 G53 R54 S59 I60 T61 S76 I77A45-E80 HydrophobicContact CB-CB 4.42Å; A45-E80 WeakPolarHBondContact O-CB 3.44Å; N48-E80 HydrophobicContact CB-CG 3.96Å; G49-E80 VanDerWaalsContact CA-CA 3.5Å; G49-E80 WeakPolarHBondContact CA-O 3.35Å; G53-E80 WeakPolarHBondContact CA-O 3.44Å; R54-E80 WeakPolarHBondContact CB-O 3.34Å; R54-E80 HydrophobicContact CG-CG 4.31Å; R54-E80 WeakPolarHBondContact CG-O 3.36Å; R54-E80 PolarHBondContact N-O 3.05Å; S59-E80 WeakPolarHBondContact CB-OE2 3.2Å; S59-E80 VanDerWaalsContact OG-CD 3.25Å; S59-E80 PolarHBondContact OG-OE2 3.43Å; I60-E80 PolarHBondContact N-OE1 3.33Å; T61-E80 WeakPolarHBondContact CB-OE2 3.5Å; T61-E80 PolarHBondContact N-OE1 2.89Å; T61-E80 PolarHBondContact OG1-OE1 3.36Å; T61-E80 PolarHBondContact OG1-OE2 3.08Å; S76-E80 PolarHBondContact O-N 3.14Å; I77-E80 WeakPolarHBondContact O-CB 3.34Å; I77-E80 PolarHBondContact O-N 3.3Å; I77-E80 VanDerWaalsContact O-N 3.08Å
81E96.2Very high95.2Very high20 Ų2054.6 Ų54.69%0.09329%0.288CS..Hα-helixtrans-82.5-40.6-175.3-66-170.817300112.9R54 G55 G57 S59 I77 L78 V79R54-E81 PolarHBondContact N-O 3.08Å; G55-E81 CarbonylContact C-O 3.55Å; G55-E81 WeakPolarHBondContact CA-O 3.35Å; G55-E81 PolarHBondContact N-O 3.02Å; G57-E81 WeakPolarHBondContact CA-OE1 3.48Å; G57-E81 PolarHBondContact N-OE1 3.26Å; G57-E81 PolarHBondContact N-OE2 3.29Å; S59-E81 VanDerWaalsContact CB-OE1 3.32Å; S59-E81 WeakPolarHBondContact CB-OE1 3.25Å; I77-E81 HydrophobicContact CG2-CG 4.18Å; I77-E81 WeakPolarHBondContact O-CG 3.49Å; I77-E81 PolarHBondContact O-N 3.28Å; L78-E81 PolarHBondContact O-N 2.9Å; V79-E81 VanDerWaalsContact C-N 3.33Å; V79-E81 PolarHBondContact O-N 3.28Å
82L96.8Very high95.8Very high57 Ų5752.6 Ų52.630%0.29828%0.281SS..Hα-helixtrans-105.3-15.3-172.6-64176.7000114.5F52 L56 L78 V86F52-L82 CarbonylContact C-O 3.17Å; L56-L82 HydrophobicContact CD1-CD2 4.41Å; L56-L82 HydrophobicContact CD2-CD1 4.37Å; L56-L82 HydrophobicContact CD2-CD2 3.45Å; L56-L82 VanDerWaalsContact CD2-CD2 3.45Å; L56-L82 HydrophobicContact CD2-CG 3.96Å; L56-L82 HydrophobicContact CG-CD2 3.75Å; L78-L82 HydrophobicContact CD2-CD1 4.17Å; L78-L82 HydrophobicContact CG-CD1 4.11Å; L78-L82 WeakPolarHBondContact O-CB 3.19Å; L78-L82 PolarHBondContact O-N 3.43Å; L82-V86 HydrophobicContact CB-CB 3.88Å; L82-V86 HydrophobicContact CB-CG1 3.93Å; L82-V86 HydrophobicContact CB-CG2 4.29Å; L82-V86 HydrophobicContact CD1-CG1 3.86Å; L82-V86 HydrophobicContact CG-CG1 4.48Å
83G96.9Very high96.3Very high0 Ų050.9 Ų50.90%027%0.271CS..  trans90.4165.5-179.100000114.4G53 V79 I85 V86 G87G53-G83 VanDerWaalsContact CA-N 3.26Å; V79-G83 WeakPolarHBondContact O-CA 3.32Å; V79-G83 PolarHBondContact O-N 3.1Å; G83-I85 VanDerWaalsContact C-N 3.31Å; G83-I85 PolarHBondContact O-N 3.47Å; G83-V86 PolarHBondContact O-N 3.24Å; G83-G87 PolarHBondContact O-N 2.88Å
84V97.1Very high96.6Very high66 Ų6654 Ų5440%0.429%0.288SS..Hα-helixtrans-64-32.4-177.11710000112.4G50 F51 V79 G87 L88G50-V84 VanDerWaalsContact O-CG2 3.27Å; G50-V84 WeakPolarHBondContact O-CG2 3.09Å; G50-V84 PolarHBondContact O-N 3.03Å; F51-V84 PolarHBondContact O-N 3.33Å; V79-V84 HydrophobicContact CG1-CG2 3.78Å; V84-G87 PolarHBondContact O-N 3.26Å; V84-L88 VanDerWaalsContact O-CB 3.26Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 PolarHBondContact O-N 2.75Å
85I97.3Very high96.8Very high96 Ų9656 Ų5649%0.49229%0.29SS..Hα-helixtrans-63.3-50-179.8-63.7173.5000110.4F51 F52 G83 L88 F89F51-I85 HydrophobicContact CD1-CG1 4.49Å; F51-I85 PolarHBondContact O-N 2.82Å; F52-I85 HydrophobicContact CE1-CD1 4.25Å; G83-I85 VanDerWaalsContact C-N 3.31Å; G83-I85 PolarHBondContact O-N 3.47Å; I85-L88 PolarHBondContact O-N 3.31Å; I85-F89 PolarHBondContact O-N 3.42Å; I85-F89 VanDerWaalsContact O-N 3.08Å
86V97.2Very high97Very high58 Ų5857.3 Ų57.335%0.35230%0.302SS..Hα-helixtrans-67-41.8177.1-178.80000110.2L82 G83 L88 F89 V90L82-V86 HydrophobicContact CB-CB 3.88Å; L82-V86 HydrophobicContact CB-CG1 3.93Å; L82-V86 HydrophobicContact CB-CG2 4.29Å; L82-V86 HydrophobicContact CD1-CG1 3.86Å; L82-V86 HydrophobicContact CG-CG1 4.48Å; G83-V86 PolarHBondContact O-N 3.24Å; V86-L88 VanDerWaalsContact C-N 3.3Å; V86-L88 PolarHBondContact O-N 3.43Å; V86-F89 WeakPolarHBondContact O-CB 3.2Å; V86-F89 PolarHBondContact O-N 3.13Å; V86-V90 HydrophobicContact CG1-CG2 4.37Å; V86-V90 WeakPolarHBondContact O-CG2 3.43Å; V86-V90 PolarHBondContact O-N 3.37Å
87G97.1Very high97.2Very high0 Ų060.9 Ų60.90%032%0.32CS..Hα-helixtrans-58.6-38.6175.700000113.8Y75 G83 V84 L91Y75-G87 WeakPolarHBondContact CE2-O 3.45Å; Y75-G87 PolarHBondContact OH-O 3.24Å; G83-G87 PolarHBondContact O-N 2.88Å; V84-G87 PolarHBondContact O-N 3.26Å; G87-L91 WeakPolarHBondContact O-CB 3.12Å; G87-L91 PolarHBondContact O-N 3.5Å
88L97.8Very high97.3Very high113 Ų11363 Ų6359%0.59234%0.338SS*.Hα-helixtrans-70.2-41.3176.7-175.265.2000111.2V84 I85 V86 L91 A92V84-L88 VanDerWaalsContact O-CB 3.26Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 PolarHBondContact O-N 2.75Å; I85-L88 PolarHBondContact O-N 3.31Å; V86-L88 VanDerWaalsContact C-N 3.3Å; V86-L88 PolarHBondContact O-N 3.43Å; L88-L91 PolarHBondContact O-N 3.34Å; L88-A92 WeakPolarHBondContact O-CB 3.48Å; L88-A92 PolarHBondContact O-N 3.29Å
89F98.1Very high97.4Very high141 Ų14164.4 Ų64.462%0.61835%0.346SS*.Hα-helixtrans-59.5-47.7174.5176.1-98.3000111.7I85 V86 L91 A92 L93I85-F89 PolarHBondContact O-N 3.42Å; I85-F89 VanDerWaalsContact O-N 3.08Å; V86-F89 WeakPolarHBondContact O-CB 3.2Å; V86-F89 PolarHBondContact O-N 3.13Å; F89-L91 PolarHBondContact O-N 2.63Å; F89-A92 PolarHBondContact O-N 2.91Å; F89-L93 WeakPolarHBondContact O-CB 3.38Å; F89-L93 PolarHBondContact O-N 3.43Å
90V97.4Very high97.4Very high38 Ų3873.3 Ų73.323%0.2338%0.379CS..Hα-helixtrans-61.4-45.1177172.50000111L78 V86 A92 L93 L94L78-V90 HydrophobicContact CD1-CG1 4.16Å; L78-V90 HydrophobicContact CD1-CG2 4.37Å; L78-V90 HydrophobicContact CD2-CG2 4.47Å; V86-V90 HydrophobicContact CG1-CG2 4.37Å; V86-V90 WeakPolarHBondContact O-CG2 3.43Å; V86-V90 PolarHBondContact O-N 3.37Å; V90-A92 PolarHBondContact O-N 2.95Å; V90-L93 PolarHBondContact O-N 3.03Å; V90-L94 HydrophobicContact CG1-CD1 4.22Å; V90-L94 WeakPolarHBondContact O-CG 3.03Å; V90-L94 PolarHBondContact O-N 3.05Å
91L97.4Very high97.3Very high85 Ų8578.5 Ų78.545%0.44541%0.406SS..Hα-helixtrans-62.5-43.6178.6-175.164.1000111.9Y75 G87 L88 F89 L93 L94 F95Y75-L91 HydrophobicContact CE2-CB 4.2Å; G87-L91 WeakPolarHBondContact O-CB 3.12Å; G87-L91 PolarHBondContact O-N 3.5Å; L88-L91 PolarHBondContact O-N 3.34Å; F89-L91 PolarHBondContact O-N 2.63Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.36Å; L91-L94 PolarHBondContact O-N 3.48Å; L91-F95 WeakPolarHBondContact O-CB 3.33Å; L91-F95 PolarHBondContact O-N 3.3Å
92A98.3Very high97.2Very high47 Ų4784.1 Ų84.139%0.38843%0.431SS..Hα-helixtrans-61.6-42176.400000111.7L88 F89 V90 F95 L96L88-A92 WeakPolarHBondContact O-CB 3.48Å; L88-A92 PolarHBondContact O-N 3.29Å; F89-A92 PolarHBondContact O-N 2.91Å; V90-A92 PolarHBondContact O-N 2.95Å; A92-F95 PolarHBondContact O-N 2.94Å; A92-L96 WeakPolarHBondContact O-CG 3.35Å; A92-L96 PolarHBondContact O-N 3.43Å
93L98.2Very high97.1Very high86 Ų8685 Ų8545%0.4544%0.438SS..Hα-helixtrans-62.6-47.5176.5-176.665.4000111.8F89 V90 L91 F95 L96 I97F89-L93 WeakPolarHBondContact O-CB 3.38Å; F89-L93 PolarHBondContact O-N 3.43Å; V90-L93 PolarHBondContact O-N 3.03Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.36Å; L93-F95 VanDerWaalsContact C-N 3.3Å; L93-F95 PolarHBondContact O-N 3.47Å; L93-L96 PolarHBondContact O-N 2.71Å; L93-I97 HydrophobicContact CD1-CD1 4.45Å; L93-I97 HydrophobicContact CG-CD1 4.12Å; L93-I97 WeakPolarHBondContact O-CG1 3.36Å; L93-I97 PolarHBondContact O-N 3.11Å
94L97.5Very high96.7Very high99 Ų9990.1 Ų90.152%0.51847%0.465SS..Hα-helixtrans-59.9-42.1177-72.3176.6000111.6V90 L91 I97 A98V90-L94 HydrophobicContact CG1-CD1 4.22Å; V90-L94 WeakPolarHBondContact O-CG 3.03Å; V90-L94 PolarHBondContact O-N 3.05Å; L91-L94 PolarHBondContact O-N 3.48Å; L94-I97 PolarHBondContact O-N 3.26Å; L94-A98 WeakPolarHBondContact O-CB 3.46Å; L94-A98 PolarHBondContact O-N 2.81Å
95F98Very high96.3Very high127 Ų12790 Ų9056%0.55747%0.471SS*.Hα-helixtrans-62-44.9176.2180-107.5000112.1L91 A92 L93 I97 A98 L99L91-F95 WeakPolarHBondContact O-CB 3.33Å; L91-F95 PolarHBondContact O-N 3.3Å; A92-F95 PolarHBondContact O-N 2.94Å; L93-F95 VanDerWaalsContact C-N 3.3Å; L93-F95 PolarHBondContact O-N 3.47Å; F95-I97 VanDerWaalsContact C-N 3.35Å; F95-I97 PolarHBondContact O-N 3.3Å; F95-A98 PolarHBondContact O-N 3.19Å; F95-L99 HydrophobicContact CD1-CD1 3.81Å; F95-L99 HydrophobicContact CD1-CG 4.35Å; F95-L99 HydrophobicContact CE1-CD1 3.28Å; F95-L99 HydrophobicContact CE1-CG 4.01Å; F95-L99 HydrophobicContact CE2-CD1 4.33Å; F95-L99 HydrophobicContact CE2-CD2 4.37Å; F95-L99 HydrophobicContact CE2-CG 4.21Å; F95-L99 HydrophobicContact CZ-CD1 3.58Å; F95-L99 HydrophobicContact CZ-CD2 4.13Å; F95-L99 HydrophobicContact CZ-CG 3.93Å; F95-L99 WeakPolarHBondContact O-CB 3.5Å; F95-L99 WeakPolarHBondContact O-CG 3.39Å; F95-L99 PolarHBondContact O-N 2.89Å
96L98.3Very high96Very high103 Ų10388.7 Ų88.754%0.53947%0.471SS..Hα-helixtrans-62.2-40.9176.5-71.9174.1000112.2A92 L93 L99 R100A92-L96 WeakPolarHBondContact O-CG 3.35Å; A92-L96 PolarHBondContact O-N 3.43Å; L93-L96 PolarHBondContact O-N 2.71Å; L96-L99 PolarHBondContact O-N 3.35Å; L96-R100 WeakPolarHBondContact O-CB 3.44Å; L96-R100 VanDerWaalsContact O-CG 3.26Å; L96-R100 WeakPolarHBondContact O-CG 3.34Å; L96-R100 PolarHBondContact O-N 2.86Å
97I98.1Very high95.4Very high84 Ų8493 Ų9343%0.43149%0.485SS..Hα-helixtrans-63-48.9175.7-67.4166000110.1L93 L94 F95 L99 R100 L101L93-I97 HydrophobicContact CD1-CD1 4.45Å; L93-I97 HydrophobicContact CG-CD1 4.12Å; L93-I97 WeakPolarHBondContact O-CG1 3.36Å; L93-I97 PolarHBondContact O-N 3.11Å; L94-I97 PolarHBondContact O-N 3.26Å; F95-I97 VanDerWaalsContact C-N 3.35Å; F95-I97 PolarHBondContact O-N 3.3Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 3.27Å; I97-R100 WeakPolarHBondContact O-CB 3.47Å; I97-R100 PolarHBondContact O-N 3.44Å; I97-R100 VanDerWaalsContact O-N 3.13Å; I97-L101 HydrophobicContact CG2-CD1 4.03Å; I97-L101 HydrophobicContact CG2-CG 4.39Å; I97-L101 WeakPolarHBondContact O-CG 3.48Å; I97-L101 PolarHBondContact O-N 2.95Å
98A97.6Very high94Very high55 Ų5597.8 Ų97.846%0.45551%0.507SS..Hα-helixtrans-58.7-43.2178.200000111.8L94 F95 L101 F102L94-A98 WeakPolarHBondContact O-CB 3.46Å; L94-A98 PolarHBondContact O-N 2.81Å; F95-A98 PolarHBondContact O-N 3.19Å; A98-L101 PolarHBondContact O-N 3.39Å; A98-F102 WeakPolarHBondContact O-CB 3.21Å; A98-F102 PolarHBondContact O-N 3.47Å
99L97Very high92.3Very high74 Ų7494.8 Ų94.839%0.38750%0.503SS..Hα-helixtrans-61.6-43.6174.3-75.8-178.2000112.4F95 L96 I97 L101 F102 V103F95-L99 HydrophobicContact CD1-CD1 3.81Å; F95-L99 HydrophobicContact CD1-CG 4.35Å; F95-L99 HydrophobicContact CE1-CD1 3.28Å; F95-L99 HydrophobicContact CE1-CG 4.01Å; F95-L99 HydrophobicContact CE2-CD1 4.33Å; F95-L99 HydrophobicContact CE2-CD2 4.37Å; F95-L99 HydrophobicContact CE2-CG 4.21Å; F95-L99 HydrophobicContact CZ-CD1 3.58Å; F95-L99 HydrophobicContact CZ-CD2 4.13Å; F95-L99 HydrophobicContact CZ-CG 3.93Å; F95-L99 WeakPolarHBondContact O-CB 3.5Å; F95-L99 WeakPolarHBondContact O-CG 3.39Å; F95-L99 PolarHBondContact O-N 2.89Å; L96-L99 PolarHBondContact O-N 3.35Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 3.27Å; L99-L101 PolarHBondContact O-N 3.48Å; L99-F102 PolarHBondContact O-N 3.13Å; L99-V103 VanDerWaalsContact O-CG2 3.32Å; L99-V103 WeakPolarHBondContact O-CG2 3.45Å; L99-V103 PolarHBondContact O-N 2.95Å
100R96.5Very high90.3Very high191 Ų19194.6 Ų94.672%0.72151%0.509SS*.Hα-helixtrans-61.3-45177-74.4-68-164.61764.1111.3L96 I97 V103 L104L96-R100 WeakPolarHBondContact O-CB 3.44Å; L96-R100 VanDerWaalsContact O-CG 3.26Å; L96-R100 WeakPolarHBondContact O-CG 3.34Å; L96-R100 PolarHBondContact O-N 2.86Å; I97-R100 WeakPolarHBondContact O-CB 3.47Å; I97-R100 PolarHBondContact O-N 3.44Å; I97-R100 VanDerWaalsContact O-N 3.13Å; R100-V103 PolarHBondContact O-N 3.26Å; R100-L104 VanDerWaalsContact O-CG 3.28Å; R100-L104 WeakPolarHBondContact O-CG 3.33Å; R100-L104 PolarHBondContact O-N 3.43Å
101L95.4Very high88.3Confident108 Ų108100.8 Ų100.857%0.56554%0.535SS*.Hα-helixtrans-63.2-43.2176.8-67.7175000111.7I97 A98 L99 L104 A105I97-L101 HydrophobicContact CG2-CD1 4.03Å; I97-L101 HydrophobicContact CG2-CG 4.39Å; I97-L101 WeakPolarHBondContact O-CG 3.48Å; I97-L101 PolarHBondContact O-N 2.95Å; A98-L101 PolarHBondContact O-N 3.39Å; L99-L101 PolarHBondContact O-N 3.48Å; L101-L104 PolarHBondContact O-N 2.87Å; L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 3.32Å
102F94.5Very high86.1Confident139 Ų139103.4 Ų103.461%0.6155%0.545SS*.Hα-helixtrans-60.3-47.8176.7-177.2-99.1000111.6A98 L99 L104 A105 S106A98-F102 WeakPolarHBondContact O-CB 3.21Å; A98-F102 PolarHBondContact O-N 3.47Å; L99-F102 PolarHBondContact O-N 3.13Å; F102-L104 VanDerWaalsContact C-N 3.32Å; F102-L104 PolarHBondContact O-N 3.29Å; F102-A105 PolarHBondContact O-N 3.14Å; F102-S106 PolarHBondContact O-N 3.01Å; F102-S106 PolarHBondContact O-OG 2.85Å
103V94Very high83.7Confident74 Ų74106.1 Ų106.145%0.44856%0.557SS.*Hα-helixtrans-61.5-38.7177.1170.70000112.1L99 R100 K107L99-V103 VanDerWaalsContact O-CG2 3.32Å; L99-V103 WeakPolarHBondContact O-CG2 3.45Å; L99-V103 PolarHBondContact O-N 2.95Å; R100-V103 PolarHBondContact O-N 3.26Å; V103-K107 WeakPolarHBondContact O-CG 3.35Å; V103-K107 PolarHBondContact O-N 2.56Å
104L88.3Confident81.1Confident108 Ų108105.5 Ų105.557%0.56557%0.571SS**Hα-helixtrans-66.2-43.5175.1-70.5172.5000111.5R100 L101 F102 K107R100-L104 VanDerWaalsContact O-CG 3.28Å; R100-L104 WeakPolarHBondContact O-CG 3.33Å; R100-L104 PolarHBondContact O-N 3.43Å; L101-L104 PolarHBondContact O-N 2.87Å; F102-L104 VanDerWaalsContact C-N 3.32Å; F102-L104 PolarHBondContact O-N 3.29Å; L104-K107 PolarHBondContact O-N 2.82Å
105A89.4Confident79Confident64 Ų64108.6 Ų108.653%0.52958%0.581SS.*Hα-helixtrans-63.9-40.517700000112.2L101 F102 K107 E108L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 3.32Å; F102-A105 PolarHBondContact O-N 3.14Å; A105-K107 PolarHBondContact O-N 2.88Å; A105-E108 PolarHBondContact O-N 3.36Å
106S89.9Confident76.7Confident69 Ų69111 Ų11148%0.48359%0.594SS.*Hα-helixtrans-64.2-26.7177.4-580000113.2F102F102-S106 PolarHBondContact O-N 3.01Å; F102-S106 PolarHBondContact O-OG 2.85Å
107K84Confident74Confident148 Ų148118.2 Ų118.264%0.64361%0.614SS**Hα-helixtrans-74.8-29.9177.5-73.6176.5-179.6-173.20113.3V103 L104 A105V103-K107 WeakPolarHBondContact O-CG 3.35Å; V103-K107 PolarHBondContact O-N 2.56Å; L104-K107 PolarHBondContact O-N 2.82Å; A105-K107 PolarHBondContact O-N 2.88Å
108E67.7Low71.5Confident101 Ų101116.9 Ų116.947%0.47262%0.621SS.*Hα-helixtrans-75.5-25.7179.5-70.4-166.2163.700112.7A105 N110 Q111 K132A105-E108 PolarHBondContact O-N 3.36Å; E108-N110 PolarHBondContact O-N 3.28Å; E108-N110 VanDerWaalsContact O-N 3.14Å; E108-Q111 PolarHBondContact O-N 3.22Å; E108-K132 IonicContact OE1-NZ 3.87Å; E108-K132 PolarHBondContact OE1-NZ 3.25Å; E108-K132 VanDerWaalsContact OE1-NZ 3.08Å
109G61.9Low68.9Low50 Ų50120.5 Ų120.552%0.51564%0.643SS.*G310 helixtrans-62.2-22-175.500000115.3Q111G109-Q111 VanDerWaalsContact C-N 3.34Å; G109-Q111 PolarHBondContact O-N 2.88Å
110N56.4Low66.6Low137 Ų137124.3 Ų124.373%0.73366%0.662SS**G310 helixtrans-84-5.3-175-147.610.9000114.1E108E108-N110 PolarHBondContact O-N 3.28Å; E108-N110 VanDerWaalsContact O-N 3.14Å
111Q55.7Low64.1Low168 Ų168120.6 Ų120.679%0.78566%0.663SS**G310 helixtrans-94.5-8.3-179.2-64.8-173.436.900114E108 G109E108-Q111 PolarHBondContact O-N 3.22Å; G109-Q111 VanDerWaalsContact C-N 3.34Å; G109-Q111 PolarHBondContact O-N 2.88Å
112Q51.5Low61.8Low140 Ų140125.5 Ų125.565%0.65468%0.68SS**G310 helixtrans-82.2-12.2178.7-62.2-158.13.900113.7G114Q112-G114 PolarHBondContact O-N 3.42Å
113T48.3Very low59Low103 Ų103125.4 Ų125.463%0.63269%0.686SS**G310 helixtrans-78.11.2-178.5-39.60000113.6
114G44.2Very low57Low73 Ų73128.3 Ų128.375%0.75370%0.697SS**G310 helixtrans-83.3-3.5175.800000115.6Q112Q112-G114 PolarHBondContact O-N 3.42Å
115F53.1Low55.1Low164 Ų164126.5 Ų126.572%0.71970%0.698SS**G310 helixtrans-96.31.2-171.4-158.6-105.6000114.8R117F115-R117 PolarHBondContact O-N 3.31Å
116E50Low53.3Low179 Ų179128.9 Ų128.984%0.83670%0.701SS**  trans-88.910.5-173.7-58.5-147.2-169.900115.6
117R40.6Very low51.3Low253 Ų253130.2 Ų130.296%0.95571%0.708SS**SBendtrans-105.980.3169.4-79.5-165.4-163.4-179.36.3111.5F115F115-R117 PolarHBondContact O-N 3.31Å
118G45.2Very low50Low57 Ų57127.8 Ų127.859%0.58871%0.709SS**  trans16884.6169.200000111.5I120G118-I120 VanDerWaalsContact C-N 3.31Å; G118-I120 PolarHBondContact O-N 3.05Å
119S43.5Very low49.3Very low130 Ų130130.2 Ų130.291%0.90971%0.714SS**  trans-53.187.5173-47.30000111.5
120I48.9Very low49.1Very low154 Ų154132.5 Ų132.579%0.7971%0.714SS**  trans-134.9117.1162.2-57.3-174.2000107.4G118G118-I120 VanDerWaalsContact C-N 3.31Å; G118-I120 PolarHBondContact O-N 3.05Å
121P43.6Very low49.3Very low113 Ų113129.7 Ų129.773%0.73470%0.699SS**  trans-76.5133.6-166.330.7-33.7000111.4N123P121-N123 PolarHBondContact O-N 3.44Å
122F47.9Very low49.6Very low212 Ų212128.2 Ų128.293%0.9369%0.69SS**SBendtrans23.268.3146.9-156.9-100.7000116.3
123N34.5Very low50.3Low136 Ų136129.2 Ų129.273%0.72769%0.689SS**SBendtrans-150.687.7154.5-135.2-37.8000109.6P121 A125P121-N123 PolarHBondContact O-N 3.44Å; N123-A125 PolarHBondContact O-N 3.39Å
124I51.9Low51.2Low135 Ų135130.4 Ų130.469%0.69268%0.681SS**  trans55.445.3156.53.2-180000116.7I126I124-I126 HydrophobicContact CG2-CD1 4.09Å; I124-I126 HydrophobicContact CG2-CG1 3.65Å; I124-I126 PolarHBondContact O-N 2.91Å
125A49.3Very low52.4Low71 Ų71130.7 Ų130.759%0.58767%0.669SS**  trans-69.278.5147.300000107.4N123 P127N123-A125 PolarHBondContact O-N 3.39Å; A125-P127 VanDerWaalsContact C-N 3.31Å; A125-P127 WeakPolarHBondContact O-CD 3.23Å
126I51.4Low53.1Low114 Ų114130.2 Ų130.259%0.58567%0.667SS**  trans-60.6100161.2-57.8-167.5000104.2I124 S128 I130I124-I126 HydrophobicContact CG2-CD1 4.09Å; I124-I126 HydrophobicContact CG2-CG1 3.65Å; I124-I126 PolarHBondContact O-N 2.91Å; I126-S128 VanDerWaalsContact C-N 3.34Å; I126-S128 PolarHBondContact O-N 3.04Å; I126-I130 HydrophobicContact CG2-CD1 4.16Å
127P47.5Very low54.3Low96 Ų96127 Ų12762%0.62365%0.653SS**  trans-75100.5-175.813.12.5000105.2A125 R129A125-P127 VanDerWaalsContact C-N 3.31Å; A125-P127 WeakPolarHBondContact O-CD 3.23Å; P127-R129 PolarHBondContact O-N 2.87Å
128S57Low56.1Low97 Ų97123.5 Ų123.568%0.67864%0.64SS**SBendtrans29.55143.668.20000121.8I126 I130 N131I126-S128 VanDerWaalsContact C-N 3.34Å; I126-S128 PolarHBondContact O-N 3.04Å; S128-I130 PolarHBondContact O-N 3.08Å; S128-N131 WeakPolarHBondContact O-CB 3.39Å; S128-N131 PolarHBondContact O-N 3.33Å
129R53.3Low57.6Low152 Ų152125.9 Ų125.957%0.57464%0.638SS**THydrogen-bonded Turntrans-66.8-21.3176.6-146178.2-179-162.7-0.7111.4P127 N131 K132P127-R129 PolarHBondContact O-N 2.87Å; R129-N131 PolarHBondContact O-N 3.46Å; R129-K132 PolarHBondContact O-N 2.91Å
130I57.9Low59.5Low99 Ų99121 Ų12151%0.50861%0.605SS.*Hα-helixtrans-59.1-28.5167.8-63174.6000111.1I126 S128 K132 Y133 R134I126-I130 HydrophobicContact CG2-CD1 4.16Å; S128-I130 PolarHBondContact O-N 3.08Å; I130-K132 PolarHBondContact O-N 3.27Å; I130-Y133 PolarHBondContact O-N 3.27Å; I130-R134 WeakPolarHBondContact O-CB 3.22Å; I130-R134 PolarHBondContact O-N 3.04Å
131N59.6Low61Low78 Ų78115.1 Ų115.142%0.41758%0.576SS.*Hα-helixtrans-73.1-27.5-175.7-154.725000113.4S128 R129 R134 V135S128-N131 WeakPolarHBondContact O-CB 3.39Å; S128-N131 PolarHBondContact O-N 3.33Å; R129-N131 PolarHBondContact O-N 3.46Å; N131-R134 PolarHBondContact O-N 3.23Å; N131-V135 WeakPolarHBondContact O-CG2 3.44Å; N131-V135 PolarHBondContact O-N 3.09Å
132K62.9Low62.8Low137 Ų137112.4 Ų112.460%0.59656%0.563SS**Hα-helixtrans-63.8-44.2176.7-166174.6-179-179.80110.7E108 R129 I130 F136E108-K132 IonicContact OE1-NZ 3.87Å; E108-K132 PolarHBondContact OE1-NZ 3.25Å; E108-K132 VanDerWaalsContact OE1-NZ 3.08Å; R129-K132 PolarHBondContact O-N 2.91Å; I130-K132 PolarHBondContact O-N 3.27Å; K132-F136 PolarHBondContact O-N 2.85Å
133Y65.2Low64.5Low160 Ų160107.6 Ų107.663%0.62755%0.547SS*.Hα-helixtrans-70.1-35.3173.9-55-67.5000112.1I130 V135 F136 M137I130-Y133 PolarHBondContact O-N 3.27Å; Y133-V135 VanDerWaalsContact C-N 3.34Å; Y133-V135 PolarHBondContact O-N 3.02Å; Y133-F136 PolarHBondContact O-N 3.09Å; Y133-M137 VanDerWaalsContact O-CB 3.28Å; Y133-M137 WeakPolarHBondContact O-CB 3.3Å; Y133-M137 PolarHBondContact O-N 3.16Å
134R68.8Low66.7Low128 Ų128102.4 Ų102.448%0.48352%0.517SS..Hα-helixtrans-61.7-41.2177-170.2-177.4-61.4156.7-0.9112.5I130 N131 R138I130-R134 WeakPolarHBondContact O-CB 3.22Å; I130-R134 PolarHBondContact O-N 3.04Å; N131-R134 PolarHBondContact O-N 3.23Å; R134-R138 WeakPolarHBondContact O-CG 3.42Å; R134-R138 PolarHBondContact O-N 3.47Å; R134-R138 VanDerWaalsContact O-N 3.08Å
135V67.8Low68.1Low80 Ų8099.7 Ų99.749%0.48550%0.504SS..Hα-helixtrans-66.4-44.1175.4175.40000110N131 Y133 M137 R138 L139N131-V135 WeakPolarHBondContact O-CG2 3.44Å; N131-V135 PolarHBondContact O-N 3.09Å; Y133-V135 VanDerWaalsContact C-N 3.34Å; Y133-V135 PolarHBondContact O-N 3.02Å; V135-M137 PolarHBondContact O-N 3.36Å; V135-R138 PolarHBondContact O-N 3.41Å; V135-L139 HydrophobicContact CG1-CD1 4.4Å; V135-L139 WeakPolarHBondContact O-CG 3.35Å; V135-L139 PolarHBondContact O-N 2.92Å; V135-L139 VanDerWaalsContact O-N 3.11Å
136F67.8Low69.9Low154 Ų154103.5 Ų103.568%0.67551%0.514SS*.Hα-helixtrans-61.5-44.1177.4-160.1-93.2000112.5K132 Y133 R138 L139 A140K132-F136 PolarHBondContact O-N 2.85Å; Y133-F136 PolarHBondContact O-N 3.09Å; F136-R138 VanDerWaalsContact C-N 3.29Å; F136-R138 PolarHBondContact O-N 2.82Å; F136-L139 PolarHBondContact O-N 3.32Å; F136-A140 WeakPolarHBondContact O-CB 3.21Å; F136-A140 PolarHBondContact O-N 3.37Å
137M75.6Confident71.5Confident111 Ų111104.1 Ų104.155%0.54752%0.515SS..Hα-helixtrans-66.1-30.2178.6-145.2176.5-143.700112.1Y133 V135 L141 F154Y133-M137 VanDerWaalsContact O-CB 3.28Å; Y133-M137 WeakPolarHBondContact O-CB 3.3Å; Y133-M137 PolarHBondContact O-N 3.16Å; V135-M137 PolarHBondContact O-N 3.36Å; M137-L141 WeakPolarHBondContact O-CB 3.27Å; M137-L141 PolarHBondContact O-N 2.91Å; M137-F154 HydrophobicContact CG-CE1 4.43Å
138R78.8Confident73.3Confident180 Ų180103 Ų10368%0.67952%0.52SS*.Hα-helixtrans-72.4-38.1174.2-79-177.3178.5-146.20.4112.8R134 V135 F136 A142R134-R138 WeakPolarHBondContact O-CG 3.42Å; R134-R138 PolarHBondContact O-N 3.47Å; R134-R138 VanDerWaalsContact O-N 3.08Å; V135-R138 PolarHBondContact O-N 3.41Å; F136-R138 VanDerWaalsContact C-N 3.29Å; F136-R138 PolarHBondContact O-N 2.82Å; R138-A142 WeakPolarHBondContact O-CB 3.36Å; R138-A142 PolarHBondContact O-N 3.45Å
139L77.3Confident74.3Confident106 Ų106103 Ų10356%0.55551%0.507SS*.Hα-helixtrans-68.4-47.9175.7-66.9173.5000110.5V135 F136 L141 A142 D143V135-L139 HydrophobicContact CG1-CD1 4.4Å; V135-L139 WeakPolarHBondContact O-CG 3.35Å; V135-L139 PolarHBondContact O-N 2.92Å; V135-L139 VanDerWaalsContact O-N 3.11Å; F136-L139 PolarHBondContact O-N 3.32Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 3.43Å; L139-A142 WeakPolarHBondContact O-CB 3.41Å; L139-A142 PolarHBondContact O-N 3.27Å; L139-D143 PolarHBondContact O-N 2.8Å
140A82.1Confident75.8Confident27 Ų2799.4 Ų99.422%0.22350%0.5CS..Hα-helixtrans-60.3-37.117600000112.7F136 Y144 F154F136-A140 WeakPolarHBondContact O-CB 3.21Å; F136-A140 PolarHBondContact O-N 3.37Å; A140-Y144 WeakPolarHBondContact O-CB 3.36Å; A140-Y144 PolarHBondContact O-N 3.47Å; A140-Y144 VanDerWaalsContact O-N 3.09Å; A140-F154 HydrophobicContact CB-CE2 4.24Å; A140-F154 HydrophobicContact CB-CZ 3.77Å; A140-F154 WeakPolarHBondContact O-CE2 3.37Å
141L79.9Confident76.7Confident32 Ų32100.7 Ų100.717%0.16850%0.502CS..Hα-helixtrans-69.1-37.1173.8177.564.5000112.3M137 L139 Y144 L145 K151 F154M137-L141 WeakPolarHBondContact O-CB 3.27Å; M137-L141 PolarHBondContact O-N 2.91Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 3.43Å; L141-Y144 PolarHBondContact O-N 2.92Å; L141-L145 HydrophobicContact CD1-CD1 3.9Å; L141-L145 HydrophobicContact CD1-CG 4.01Å; L141-L145 HydrophobicContact CD2-CD1 4.49Å; L141-L145 HydrophobicContact CG-CD1 3.88Å; L141-L145 HydrophobicContact CG-CG 4.39Å; L141-L145 WeakPolarHBondContact O-CB 3.32Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.35Å; L141-L145 PolarHBondContact O-N 3.25Å; L141-K151 HydrophobicContact CD1-CB 4.47Å; L141-K151 HydrophobicContact CD1-CD 4.29Å; L141-K151 HydrophobicContact CD1-CG 3.9Å; L141-K151 HydrophobicContact CD2-CD 4.25Å; L141-F154 HydrophobicContact CB-CD1 4.23Å; L141-F154 HydrophobicContact CB-CE1 3.83Å; L141-F154 HydrophobicContact CB-CZ 3.99Å; L141-F154 HydrophobicContact CD1-CB 4.02Å; L141-F154 HydrophobicContact CD1-CD1 3.65Å; L141-F154 HydrophobicContact CD1-CD2 4.32Å; L141-F154 HydrophobicContact CD1-CE1 4.16Å; L141-F154 HydrophobicContact CD1-CG 3.73Å; L141-F154 HydrophobicContact CG-CD1 4.48Å
142A82.2Confident77.6Confident55 Ų55106 Ų10646%0.45552%0.516SS..Hα-helixtrans-64.3-46.6178.200000110.8R138 L139 Y144 L145 D146R138-A142 WeakPolarHBondContact O-CB 3.36Å; R138-A142 PolarHBondContact O-N 3.45Å; L139-A142 WeakPolarHBondContact O-CB 3.41Å; L139-A142 PolarHBondContact O-N 3.27Å; A142-Y144 VanDerWaalsContact C-N 3.33Å; A142-Y144 PolarHBondContact O-N 3.2Å; A142-L145 PolarHBondContact O-N 3.26Å; A142-D146 PolarHBondContact O-N 2.86Å
143D84.1Confident78.3Confident111 Ų111105.4 Ų105.459%0.59452%0.515SS*.Hα-helixtrans-62.2-40.8176.5-64.4-18000111.4L139 L145 D146 E147L139-D143 PolarHBondContact O-N 2.8Å; D143-L145 PolarHBondContact O-N 3.47Å; D143-D146 PolarHBondContact O-N 2.86Å; D143-E147 PolarHBondContact O-N 3.44Å
144Y80.1Confident78.6Confident28 Ų2898.8 Ų98.811%0.1149%0.49CS..Hα-helixtrans-66.5-36.6178.5-175.6-95000113.7A140 L141 A142 E147 K149 D150 Q153 F154 L157A140-Y144 WeakPolarHBondContact O-CB 3.36Å; A140-Y144 PolarHBondContact O-N 3.47Å; A140-Y144 VanDerWaalsContact O-N 3.09Å; L141-Y144 PolarHBondContact O-N 2.92Å; A142-Y144 VanDerWaalsContact C-N 3.33Å; A142-Y144 PolarHBondContact O-N 3.2Å; Y144-E147 PolarHBondContact O-N 3.36Å; Y144-K149 HydrophobicContact CD1-CB 3.97Å; Y144-K149 HydrophobicContact CD2-CD 4.16Å; Y144-K149 HydrophobicContact CE1-CB 3.35Å; Y144-K149 HydrophobicContact CE1-CD 4.47Å; Y144-K149 HydrophobicContact CE2-CB 3.97Å; Y144-K149 HydrophobicContact CE2-CD 3.51Å; Y144-K149 HydrophobicContact CE2-CG 4.39Å; Y144-K149 WeakPolarHBondContact OH-CB 3.01Å; Y144-D150 WeakPolarHBondContact CE1-O 3.17Å; Y144-Q153 WeakPolarHBondContact OH-CB 3.12Å; Y144-F154 HydrophobicContact CD1-CB 3.76Å; Y144-F154 AromaticContact CD1-CD2 3.72Å; Y144-F154 HydrophobicContact CD1-CD2 3.72Å; Y144-F154 HydrophobicContact CD1-CG 4.15Å; Y144-F154 AromaticContact CD2-CD2 3.86Å; Y144-F154 HydrophobicContact CD2-CD2 3.86Å; Y144-F154 HydrophobicContact CE1-CB 3.8Å; Y144-F154 HydrophobicContact CE1-CD2 4.37Å; Y144-F154 HydrophobicContact CE2-CD2 4.49Å; Y144-F154 HydrophobicContact CG-CB 4.33Å; Y144-F154 AromaticContact CG-CD2 3.41Å; Y144-F154 HydrophobicContact CG-CD2 3.41Å; Y144-F154 VanDerWaalsContact CG-CD2 3.41Å; Y144-F154 HydrophobicContact CG-CE2 4.14Å; Y144-F154 HydrophobicContact CG-CG 4.29Å; Y144-L157 HydrophobicContact CD2-CD1 4.06Å; Y144-L157 HydrophobicContact CE2-CD1 3.55Å
145L82.1Confident78.6Confident78 Ų78100 Ų10041%0.40850%0.503SS..Hα-helixtrans-74.7-28.7177.1-70.8171000112L141 A142 D143 E147 G148 K149 K151L141-L145 HydrophobicContact CD1-CD1 3.9Å; L141-L145 HydrophobicContact CD1-CG 4.01Å; L141-L145 HydrophobicContact CD2-CD1 4.49Å; L141-L145 HydrophobicContact CG-CD1 3.88Å; L141-L145 HydrophobicContact CG-CG 4.39Å; L141-L145 WeakPolarHBondContact O-CB 3.32Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.35Å; L141-L145 PolarHBondContact O-N 3.25Å; A142-L145 PolarHBondContact O-N 3.26Å; D143-L145 PolarHBondContact O-N 3.47Å; L145-E147 PolarHBondContact O-N 2.59Å; L145-G148 PolarHBondContact O-N 3.3Å; L145-K149 WeakPolarHBondContact CD2-O 3.48Å; L145-K151 HydrophobicContact CD2-CB 3.76Å
146D86.8Confident78.9Confident150 Ų150104.3 Ų104.380%0.80252%0.516SS*.Hα-helixtrans-64.9-30.2174-159.750.5000111.7A142 D143 G148A142-D146 PolarHBondContact O-N 2.86Å; D143-D146 PolarHBondContact O-N 2.86Å; D146-G148 PolarHBondContact O-N 3.03Å; D146-G148 VanDerWaalsContact O-N 3.13Å
147E85.3Confident78.7Confident128 Ų128102.3 Ų102.360%0.59851%0.511SS*.THydrogen-bonded Turntrans-71.64.3169.8-66-172.8-178.500114.3D143 Y144 L145 K149D143-E147 PolarHBondContact O-N 3.44Å; Y144-E147 PolarHBondContact O-N 3.36Å; L145-E147 PolarHBondContact O-N 2.59Å; E147-K149 VanDerWaalsContact C-N 3.27Å; E147-K149 HydrophobicContact CB-CD 4.4Å; E147-K149 HydrophobicContact CB-CG 4.35Å; E147-K149 PolarHBondContact O-N 2.99Å; E147-K149 WeakPolarHBondContact OE2-CE 3.26Å; E147-K149 IonicContact OE2-NZ 3.56Å; E147-K149 PolarHBondContact OE2-NZ 2.55Å
148G84.3Confident78.2Confident71 Ų71106 Ų10673%0.73252%0.524SS*.THydrogen-bonded Turntrans72.715.3178.400000114.6L145 D146L145-G148 PolarHBondContact O-N 3.3Å; D146-G148 PolarHBondContact O-N 3.03Å; D146-G148 VanDerWaalsContact O-N 3.13Å
149K79.3Confident78.1Confident97 Ų97102.3 Ų102.342%0.42252%0.517SS..  trans-90.1142-177.4-66.3178.5179.2157.40112Y144 L145 E147 K151Y144-K149 HydrophobicContact CD1-CB 3.97Å; Y144-K149 HydrophobicContact CD2-CD 4.16Å; Y144-K149 HydrophobicContact CE1-CB 3.35Å; Y144-K149 HydrophobicContact CE1-CD 4.47Å; Y144-K149 HydrophobicContact CE2-CB 3.97Å; Y144-K149 HydrophobicContact CE2-CD 3.51Å; Y144-K149 HydrophobicContact CE2-CG 4.39Å; Y144-K149 WeakPolarHBondContact OH-CB 3.01Å; L145-K149 WeakPolarHBondContact CD2-O 3.48Å; E147-K149 VanDerWaalsContact C-N 3.27Å; E147-K149 HydrophobicContact CB-CD 4.4Å; E147-K149 HydrophobicContact CB-CG 4.35Å; E147-K149 PolarHBondContact O-N 2.99Å; E147-K149 WeakPolarHBondContact OE2-CE 3.26Å; E147-K149 IonicContact OE2-NZ 3.56Å; E147-K149 PolarHBondContact OE2-NZ 2.55Å; K149-K151 PolarHBondContact O-N 3.35Å
150D84Confident78.2Confident77 Ų77102.1 Ų102.141%0.41251%0.514SS..  trans-62.9124.6-178.9-178.21.5000110.9Y144 R152 Q153Y144-D150 WeakPolarHBondContact CE1-O 3.17Å; D150-R152 PolarHBondContact O-N 2.87Å; D150-R152 PolarHBondContact OD1-N 3.12Å; D150-R152 IonicContact OD1-NE 2.71Å; D150-R152 IonicContact OD2-CZ 3.26Å; D150-R152 IonicContact OD2-NE 3.08Å; D150-R152 PolarHBondContact OD2-NE 2.89Å; D150-R152 IonicContact OD2-NH2 2.56Å; D150-R152 PolarHBondContact OD2-NH2 3.4Å; D150-Q153 HydrophobicContact CB-CG 4.39Å; D150-Q153 VanDerWaalsContact O-CB 3.32Å; D150-Q153 WeakPolarHBondContact O-CB 3.12Å; D150-Q153 PolarHBondContact O-N 2.92Å
151K77.2Confident78Confident127 Ų127106.2 Ų106.255%0.55253%0.531SS*.Hα-helixtrans-48.4-31.3174.8176.8169.9178.7-1760113.2L141 L145 K149 Q153 F154L141-K151 HydrophobicContact CD1-CB 4.47Å; L141-K151 HydrophobicContact CD1-CD 4.29Å; L141-K151 HydrophobicContact CD1-CG 3.9Å; L141-K151 HydrophobicContact CD2-CD 4.25Å; L145-K151 HydrophobicContact CD2-CB 3.76Å; K149-K151 PolarHBondContact O-N 3.35Å; K151-Q153 PolarHBondContact O-N 3.14Å; K151-F154 WeakPolarHBondContact O-CB 3.46Å; K151-F154 PolarHBondContact O-N 3.26Å; K151-F154 VanDerWaalsContact O-N 3.14Å
152R79.3Confident77.9Confident188 Ų188110.6 Ų110.671%0.70955%0.552SS**Hα-helixtrans-61.9-29.2177.1-69.3-172.6-72.6-170.2-4.8112.9D150 F156D150-R152 PolarHBondContact O-N 2.87Å; D150-R152 PolarHBondContact OD1-N 3.12Å; D150-R152 IonicContact OD1-NE 2.71Å; D150-R152 IonicContact OD2-CZ 3.26Å; D150-R152 IonicContact OD2-NE 3.08Å; D150-R152 PolarHBondContact OD2-NE 2.89Å; D150-R152 IonicContact OD2-NH2 2.56Å; D150-R152 PolarHBondContact OD2-NH2 3.4Å; R152-F156 WeakPolarHBondContact O-CD2 3.47Å; R152-F156 WeakPolarHBondContact O-CE2 3.44Å
153Q75.6Confident77.6Confident126 Ų126114.1 Ų114.159%0.58956%0.558SS**Hα-helixtrans-78.1-27.6177.3-62.5-115.2-30.700112.1Y144 D150 K151 M155 F156Y144-Q153 WeakPolarHBondContact OH-CB 3.12Å; D150-Q153 HydrophobicContact CB-CG 4.39Å; D150-Q153 VanDerWaalsContact O-CB 3.32Å; D150-Q153 WeakPolarHBondContact O-CB 3.12Å; D150-Q153 PolarHBondContact O-N 2.92Å; K151-Q153 PolarHBondContact O-N 3.14Å; Q153-M155 VanDerWaalsContact C-N 3.27Å; Q153-M155 PolarHBondContact O-N 3.11Å; Q153-F156 PolarHBondContact O-N 3.32Å; Q153-F156 VanDerWaalsContact O-N 3.14Å
154F71.6Confident77.2Confident21 Ų21114.3 Ų114.39%0.09256%0.556CS.*Hα-helixtrans-60-36.6179.3-173.7-103000112.9M137 A140 L141 Y144 K151 F156 L157 F158M137-F154 HydrophobicContact CG-CE1 4.43Å; A140-F154 HydrophobicContact CB-CE2 4.24Å; A140-F154 HydrophobicContact CB-CZ 3.77Å; A140-F154 WeakPolarHBondContact O-CE2 3.37Å; L141-F154 HydrophobicContact CB-CD1 4.23Å; L141-F154 HydrophobicContact CB-CE1 3.83Å; L141-F154 HydrophobicContact CB-CZ 3.99Å; L141-F154 HydrophobicContact CD1-CB 4.02Å; L141-F154 HydrophobicContact CD1-CD1 3.65Å; L141-F154 HydrophobicContact CD1-CD2 4.32Å; L141-F154 HydrophobicContact CD1-CE1 4.16Å; L141-F154 HydrophobicContact CD1-CG 3.73Å; L141-F154 HydrophobicContact CG-CD1 4.48Å; Y144-F154 HydrophobicContact CD1-CB 3.76Å; Y144-F154 AromaticContact CD1-CD2 3.72Å; Y144-F154 HydrophobicContact CD1-CD2 3.72Å; Y144-F154 HydrophobicContact CD1-CG 4.15Å; Y144-F154 AromaticContact CD2-CD2 3.86Å; Y144-F154 HydrophobicContact CD2-CD2 3.86Å; Y144-F154 HydrophobicContact CE1-CB 3.8Å; Y144-F154 HydrophobicContact CE1-CD2 4.37Å; Y144-F154 HydrophobicContact CE2-CD2 4.49Å; Y144-F154 HydrophobicContact CG-CB 4.33Å; Y144-F154 AromaticContact CG-CD2 3.41Å; Y144-F154 HydrophobicContact CG-CD2 3.41Å; Y144-F154 VanDerWaalsContact CG-CD2 3.41Å; Y144-F154 HydrophobicContact CG-CE2 4.14Å; Y144-F154 HydrophobicContact CG-CG 4.29Å; K151-F154 WeakPolarHBondContact O-CB 3.46Å; K151-F154 PolarHBondContact O-N 3.26Å; K151-F154 VanDerWaalsContact O-N 3.14Å; F154-F156 PolarHBondContact O-N 2.79Å; F154-L157 PolarHBondContact O-N 3.2Å; F154-F158 HydrophobicContact CE1-CE2 4.11Å; F154-F158 HydrophobicContact CE2-CE2 4.14Å; F154-F158 AromaticContact CZ-CE2 3.77Å; F154-F158 HydrophobicContact CZ-CE2 3.77Å; F154-F158 HydrophobicContact CZ-CZ 4.47Å
155M69Low76.9Confident154 Ų154120.4 Ų120.476%0.75959%0.588SS**THydrogen-bonded Turntrans-71.3-11.4-178.1-154.8164.972.600113.5Q153Q153-M155 VanDerWaalsContact C-N 3.27Å; Q153-M155 PolarHBondContact O-N 3.11Å
156F74.1Confident76.6Confident170 Ų170123.7 Ų123.775%0.74660%0.601SS**THydrogen-bonded Turntrans-97.8-2.4176.8-66.8-75.4000113.7R152 Q153 F154 F158R152-F156 WeakPolarHBondContact O-CD2 3.47Å; R152-F156 WeakPolarHBondContact O-CE2 3.44Å; Q153-F156 PolarHBondContact O-N 3.32Å; Q153-F156 VanDerWaalsContact O-N 3.14Å; F154-F156 PolarHBondContact O-N 2.79Å; F156-F158 VanDerWaalsContact C-N 3.31Å
157L64.9Low75.7Confident111 Ų111121.5 Ų121.558%0.58159%0.585SS**  trans-84.4-5.4179.4-71.4171.1000113.6Y144 F154Y144-L157 HydrophobicContact CD2-CD1 4.06Å; Y144-L157 HydrophobicContact CE2-CD1 3.55Å; F154-L157 PolarHBondContact O-N 3.2Å
158F64Low74.8Confident188 Ų188120.9 Ų120.983%0.82558%0.583SS**  trans-129.90179.2-58.4-80.3000109.8F154 F156F154-F158 HydrophobicContact CE1-CE2 4.11Å; F154-F158 HydrophobicContact CE2-CE2 4.14Å; F154-F158 AromaticContact CZ-CE2 3.77Å; F154-F158 HydrophobicContact CZ-CE2 3.77Å; F154-F158 HydrophobicContact CZ-CZ 4.47Å; F156-F158 VanDerWaalsContact C-N 3.31Å

Retrieved 158 of 158 residues in 28.9 ms (Link to these results)

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