A0A096NSK0_PAPAN Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A096NSK0, Species PAPAN (Papio anubis, Olive baboon), Gene SULT1E1, Length 294 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M47.4Very low72.9Confident240 Ų24090.3 Ų90.3100%1.18245%0.454SS*.  0131.60-91.4172.2-82.900107.5S3M1-S3 PolarHBondContact O-N 2.74Å
2N60.4Low74.7Confident105 Ų10590.7 Ų90.756%0.56145%0.453SS*.  trans-78.6107.3-176.1-164.48.2000108.8E4 L5 D6N2-E4 PolarHBondContact O-N 2.63Å; N2-L5 HydrophobicContact CB-CB 4.4Å; N2-L5 HydrophobicContact CB-CD1 3.96Å; N2-L5 HydrophobicContact CB-CG 4.35Å; N2-L5 PolarHBondContact O-N 2.85Å; N2-L5 VanDerWaalsContact O-N 3.09Å; N2-D6 PolarHBondContact O-N 3.49Å
3S64.4Low76.3Confident92 Ų9294.1 Ų94.164%0.64347%0.466SS*.Hα-helixtrans-60.9-27.9-171.151.10000113.9M1 Y7M1-S3 PolarHBondContact O-N 2.74Å; S3-Y7 PolarHBondContact O-N 3.03Å
4E66.6Low77.7Confident80 Ų8088.6 Ų88.637%0.37444%0.44SS..Hα-helixtrans-67.9-40174.7-78.2-77.5120.100112.4N2 Y7 Y8 K160N2-E4 PolarHBondContact O-N 2.63Å; E4-Y7 WeakPolarHBondContact O-CB 3.25Å; E4-Y7 PolarHBondContact O-N 3.28Å; E4-Y8 VanDerWaalsContact O-CD2 3.26Å; E4-Y8 WeakPolarHBondContact O-CD2 3.39Å; E4-Y8 PolarHBondContact O-N 2.67Å; E4-K160 IonicContact OE1-NZ 2.67Å; E4-K160 PolarHBondContact OE1-NZ 2.91Å
5L68.8Low78.8Confident112 Ų11291.4 Ų91.459%0.58645%0.451SS*.Hα-helixtrans-66.1-42.8179.9-77.2169.2000111.3N2 Y7 Y8 E9N2-L5 HydrophobicContact CB-CB 4.4Å; N2-L5 HydrophobicContact CB-CD1 3.96Å; N2-L5 HydrophobicContact CB-CG 4.35Å; N2-L5 PolarHBondContact O-N 2.85Å; N2-L5 VanDerWaalsContact O-N 3.09Å; L5-Y7 VanDerWaalsContact C-N 3.26Å; L5-Y7 PolarHBondContact O-N 3.13Å; L5-Y8 PolarHBondContact O-N 3.27Å; L5-E9 WeakPolarHBondContact O-CG 3.26Å; L5-E9 PolarHBondContact O-N 3.28Å
6D71.6Confident79.8Confident61 Ų6189.6 Ų89.633%0.32646%0.462SS..Hα-helixtrans-64.8-30.5176.5-170.328.5000111.9N2 E9N2-D6 PolarHBondContact O-N 3.49Å; D6-E9 PolarHBondContact O-N 3.43Å
7Y75.2Confident80.8Confident2 Ų285.6 Ų85.61%0.00844%0.443CS..Hα-helixtrans-65.9-48.4178.4-156.6-91.1000112.6S3 E4 L5 E9 K10 F11 L18 F142 P149 K160 Q165S3-Y7 PolarHBondContact O-N 3.03Å; E4-Y7 WeakPolarHBondContact O-CB 3.25Å; E4-Y7 PolarHBondContact O-N 3.28Å; L5-Y7 VanDerWaalsContact C-N 3.26Å; L5-Y7 PolarHBondContact O-N 3.13Å; Y7-E9 VanDerWaalsContact C-N 3.29Å; Y7-E9 PolarHBondContact O-N 3.23Å; Y7-K10 PolarHBondContact O-N 3Å; Y7-F11 AromaticContact CD1-CD2 3.91Å; Y7-F11 HydrophobicContact CD1-CD2 3.91Å; Y7-F11 HydrophobicContact CD1-CE2 4.2Å; Y7-F11 AromaticContact CE1-CD2 3.6Å; Y7-F11 HydrophobicContact CE1-CD2 3.6Å; Y7-F11 AromaticContact CE1-CE2 3.69Å; Y7-F11 HydrophobicContact CE1-CE2 3.69Å; Y7-F11 HydrophobicContact CE2-CE2 4.04Å; Y7-F11 AromaticContact CZ-CD2 4Å; Y7-F11 AromaticContact CZ-CE2 3.56Å; Y7-F11 WeakPolarHBondContact O-CD2 3.39Å; Y7-L18 HydrophobicContact CE1-CD2 3.93Å; Y7-F142 AromaticContact CE2-CE1 3.88Å; Y7-F142 HydrophobicContact CE2-CE1 3.88Å; Y7-F142 WeakPolarHBondContact OH-CZ 3.35Å; Y7-P149 HydrophobicContact CD2-CB 4.08Å; Y7-P149 HydrophobicContact CD2-CG 3.28Å; Y7-P149 HydrophobicContact CE2-CG 3.56Å; Y7-P149 HydrophobicContact CG-CG 3.95Å; Y7-K160 HydrophobicContact CD2-CD 4.01Å; Y7-K160 HydrophobicContact CE1-CD 4.33Å; Y7-K160 HydrophobicContact CE2-CD 3.58Å; Y7-Q165 VanDerWaalsContact CE1-O 3.24Å; Y7-Q165 WeakPolarHBondContact CE1-O 3.42Å; Y7-Q165 VanDerWaalsContact CZ-O 3.27Å; Y7-Q165 PolarHBondContact OH-O 3.4Å
8Y75.3Confident81.8Confident94 Ų9481.3 Ų81.337%0.36942%0.421SS..Hα-helixtrans-81.5-6.9177.8-64.5-74.4000113.3E4 L5 K10 F11 K21E4-Y8 VanDerWaalsContact O-CD2 3.26Å; E4-Y8 WeakPolarHBondContact O-CD2 3.39Å; E4-Y8 PolarHBondContact O-N 2.67Å; L5-Y8 PolarHBondContact O-N 3.27Å; Y8-K10 VanDerWaalsContact C-N 3.29Å; Y8-F11 VanDerWaalsContact O-O 3.07Å; Y8-K21 WeakPolarHBondContact O-CE 3.39Å; Y8-K21 PolarHBondContact O-NZ 3.04Å
9E86.5Confident82.6Confident121 Ų12177.1 Ų77.157%0.56540%0.399SS*.Hα-helixtrans-69.5-28.3167.5-85.9-178.1-160.300112.3L5 D6 Y7 K21L5-E9 WeakPolarHBondContact O-CG 3.26Å; L5-E9 PolarHBondContact O-N 3.28Å; D6-E9 PolarHBondContact O-N 3.43Å; Y7-E9 VanDerWaalsContact C-N 3.29Å; Y7-E9 PolarHBondContact O-N 3.23Å; E9-K21 VanDerWaalsContact C-NZ 3.27Å; E9-K21 VanDerWaalsContact O-CD 3.24Å; E9-K21 WeakPolarHBondContact O-CD 3.5Å; E9-K21 WeakPolarHBondContact O-CE 3.33Å; E9-K21 PolarHBondContact O-NZ 3.48Å
10K90.4Very high83.3Confident83 Ų8374.4 Ų74.436%0.36138%0.383SS..Hα-helixtrans-94-22.9-178.6-60.6-54.8-179.6-168.90114.9Y7 Y8 K21 G147 P149Y7-K10 PolarHBondContact O-N 3Å; Y8-K10 VanDerWaalsContact C-N 3.29Å; K10-K21 PolarHBondContact O-N 2.94Å; K10-G147 WeakPolarHBondContact CB-O 3.34Å; K10-P149 HydrophobicContact CG-CB 4.24Å
11F95.1Very high83.8Confident3 Ų374.2 Ų74.21%0.01338%0.38CS..EExtended strand (participates in β ladder)trans-123.2152.8-172.5-52-45.7000112.8Y7 Y8 L18 M19 Y20 K21 F142 P149 P167Y7-F11 AromaticContact CD1-CD2 3.91Å; Y7-F11 HydrophobicContact CD1-CD2 3.91Å; Y7-F11 HydrophobicContact CD1-CE2 4.2Å; Y7-F11 AromaticContact CE1-CD2 3.6Å; Y7-F11 HydrophobicContact CE1-CD2 3.6Å; Y7-F11 AromaticContact CE1-CE2 3.69Å; Y7-F11 HydrophobicContact CE1-CE2 3.69Å; Y7-F11 HydrophobicContact CE2-CE2 4.04Å; Y7-F11 AromaticContact CZ-CD2 4Å; Y7-F11 AromaticContact CZ-CE2 3.56Å; Y7-F11 WeakPolarHBondContact O-CD2 3.39Å; Y8-F11 VanDerWaalsContact O-O 3.07Å; F11-L18 HydrophobicContact CB-CD1 3.55Å; F11-L18 HydrophobicContact CB-CD2 4.06Å; F11-L18 HydrophobicContact CB-CG 3.66Å; F11-L18 HydrophobicContact CD2-CD2 3.91Å; F11-L18 HydrophobicContact CD2-CG 4.39Å; F11-L18 HydrophobicContact CG-CD2 4.23Å; F11-L18 HydrophobicContact CG-CG 4.2Å; F11-M19 CarbonylContact C-O 3.53Å; F11-M19 WeakPolarHBondContact CA-O 3.47Å; F11-M19 WeakPolarHBondContact CB-O 3.25Å; F11-Y20 HydrophobicContact CD1-CD1 4.15Å; F11-Y20 AromaticContact CE1-CD1 3.68Å; F11-Y20 HydrophobicContact CE1-CD1 3.68Å; F11-Y20 AromaticContact CE1-CE1 3.82Å; F11-Y20 HydrophobicContact CE1-CE1 3.82Å; F11-K21 WeakPolarHBondContact O-CE 3.37Å; F11-F142 HydrophobicContact CE2-CE1 4.02Å; F11-F142 HydrophobicContact CE2-CZ 4.17Å; F11-F142 AromaticContact CZ-CE1 3.9Å; F11-F142 HydrophobicContact CZ-CE1 3.9Å; F11-F142 AromaticContact CZ-CZ 3.96Å; F11-F142 HydrophobicContact CZ-CZ 3.96Å; F11-P149 VanDerWaalsContact CE2-CD 3.5Å; F11-P149 HydrophobicContact CE2-CG 3.76Å; F11-P149 HydrophobicContact CZ-CG 4.14Å; F11-P167 HydrophobicContact CD1-CG 3.87Å; F11-P167 HydrophobicContact CE1-CG 3.36Å; F11-P167 HydrophobicContact CE2-CG 4.11Å; F11-P167 HydrophobicContact CG-CG 4.47Å; F11-P167 HydrophobicContact CZ-CG 3.47Å; F11-P167 VanDerWaalsContact CZ-CG 3.47Å
12E94.8Very high86Confident95 Ų9566.8 Ų66.844%0.44435%0.345SS..EExtended strand (participates in β ladder)trans-137.2146.4175.8177.5169-170.800109.5M19 K21 V24E12-M19 PolarHBondContact N-O 3.21Å; E12-M19 PolarHBondContact O-N 3.28Å; E12-K21 HydrophobicContact CB-CG 3.8Å; E12-V24 HydrophobicContact CB-CG2 4.28Å; E12-V24 HydrophobicContact CG-CG1 4.14Å
13E95.5Very high87.8Confident135 Ų13562.6 Ų62.663%0.63132%0.322SS*.EExtended strand (participates in β ladder)trans-81.4129176.5-72.1-168.2177.200110.7V17 L18E13-V17 WeakPolarHBondContact CA-O 3.25Å; E13-L18 HydrophobicContact CG-CD1 4.18Å
14L95.5Very high89.3Confident17 Ų1759.2 Ų59.29%0.08930%0.297CS..EExtended strand (participates in β ladder)trans-122.2113.1173.9173.470.7000107.8G16 V17 M19 V24 W27L14-G16 PolarHBondContact O-N 3.45Å; L14-G16 VanDerWaalsContact O-N 3.15Å; L14-V17 PolarHBondContact N-O 3.47Å; L14-V17 PolarHBondContact O-N 3.32Å; L14-M19 HydrophobicContact CB-CB 4.48Å; L14-M19 HydrophobicContact CB-CG 4.07Å; L14-M19 HydrophobicContact CD2-CG 4.25Å; L14-V24 HydrophobicContact CB-CG2 4.16Å; L14-W27 HydrophobicContact CD1-CB 4.47Å; L14-W27 HydrophobicContact CD1-CD2 4.19Å; L14-W27 HydrophobicContact CD1-CG 3.83Å; L14-W27 HydrophobicContact CD2-CD2 3.18Å; L14-W27 HydrophobicContact CD2-CE3 3.37Å; L14-W27 HydrophobicContact CD2-CG 3.72Å; L14-W27 HydrophobicContact CD2-CH2 3.83Å; L14-W27 HydrophobicContact CD2-CZ2 3.68Å; L14-W27 HydrophobicContact CD2-CZ3 3.68Å; L14-W27 HydrophobicContact CG-CD2 4.25Å; L14-W27 HydrophobicContact CG-CG 4.4Å
15H94.4Very high90.7Very high131 Ų13162.5 Ų62.561%0.60631%0.31SS*.THydrogen-bonded Turntrans49.537.9-174.9-54-67.1000113.9V17 W27 L112H15-V17 VanDerWaalsContact C-N 3.34Å; H15-W27 AromaticContact NE2-NE1 3.99Å; H15-L112 HydrophobicContact CB-CD2 3.88Å
16G94.9Very high92Very high62 Ų6260 Ų6064%0.63929%0.294SS*.THydrogen-bonded Turntrans77.314.4-179.400000114.9L14L14-G16 PolarHBondContact O-N 3.45Å; L14-G16 VanDerWaalsContact O-N 3.15Å
17V97.5Very high93.2Very high22 Ų2258 Ų5813%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-114.4125.8172.4-177.90000108.7E13 L14 H15 M19 P109 L112 Y168E13-V17 WeakPolarHBondContact CA-O 3.25Å; L14-V17 PolarHBondContact N-O 3.47Å; L14-V17 PolarHBondContact O-N 3.32Å; H15-V17 VanDerWaalsContact C-N 3.34Å; V17-M19 HydrophobicContact CG1-CG 4.35Å; V17-M19 HydrophobicContact CG1-SD 4.16Å; V17-M19 PolarHBondContact O-N 3Å; V17-P109 HydrophobicContact CG2-CG 4.32Å; V17-L112 HydrophobicContact CB-CD1 4Å; V17-L112 HydrophobicContact CG1-CD1 4.47Å; V17-L112 HydrophobicContact CG2-CD1 3.84Å; V17-Y168 VanDerWaalsContact CG1-C 3.47Å
18L97.4Very high94.3Very high9 Ų964.9 Ų64.95%0.04731%0.314CS..EExtended strand (participates in β ladder)trans-69.5127.6176.6-166.367.1000109.9Y7 F11 E13 P167 Y168Y7-L18 HydrophobicContact CE1-CD2 3.93Å; F11-L18 HydrophobicContact CB-CD1 3.55Å; F11-L18 HydrophobicContact CB-CD2 4.06Å; F11-L18 HydrophobicContact CB-CG 3.66Å; F11-L18 HydrophobicContact CD2-CD2 3.91Å; F11-L18 HydrophobicContact CD2-CG 4.39Å; F11-L18 HydrophobicContact CG-CD2 4.23Å; F11-L18 HydrophobicContact CG-CG 4.2Å; E13-L18 HydrophobicContact CG-CD1 4.18Å; L18-P167 CarbonylContact O-C 3.53Å; L18-P167 VanDerWaalsContact O-CA 3.3Å; L18-P167 WeakPolarHBondContact O-CA 3.28Å; L18-Y168 PolarHBondContact O-N 3.02Å
19M97.8Very high95.4Very high0 Ų063.4 Ų63.40%031%0.312CS..EExtended strand (participates in β ladder)trans-135161-172.9-70.1-64.9-70.400111.3F11 E12 L14 V17 K21 F23 V24 W27 E82 L108 Y168F11-M19 CarbonylContact C-O 3.53Å; F11-M19 WeakPolarHBondContact CA-O 3.47Å; F11-M19 WeakPolarHBondContact CB-O 3.25Å; E12-M19 PolarHBondContact N-O 3.21Å; E12-M19 PolarHBondContact O-N 3.28Å; L14-M19 HydrophobicContact CB-CB 4.48Å; L14-M19 HydrophobicContact CB-CG 4.07Å; L14-M19 HydrophobicContact CD2-CG 4.25Å; V17-M19 HydrophobicContact CG1-CG 4.35Å; V17-M19 HydrophobicContact CG1-SD 4.16Å; V17-M19 PolarHBondContact O-N 3Å; M19-K21 PolarHBondContact O-N 3.39Å; M19-F23 HydrophobicContact CE-CD2 4.43Å; M19-V24 HydrophobicContact CB-CG2 3.61Å; M19-W27 HydrophobicContact CE-CZ3 4.39Å; M19-E82 HydrophobicContact CE-CG 4.4Å; M19-L108 HydrophobicContact CE-CD2 3.94Å; M19-Y168 HydrophobicContact CE-CD1 4.1Å; M19-Y168 HydrophobicContact CE-CE1 3.58Å; M19-Y168 HydrophobicContact SD-CD1 3.66Å; M19-Y168 HydrophobicContact SD-CE1 3.78Å; M19-Y168 HydrophobicContact SD-CG 4.27Å
20Y96.3Very high96Very high23 Ų2358 Ų589%0.0929%0.287CS..EExtended strand (participates in β ladder)trans-65.9130.9171.4-57.1-84.5000110F11 D22 F23 V24 H148 P167 Y168F11-Y20 HydrophobicContact CD1-CD1 4.15Å; F11-Y20 AromaticContact CE1-CD1 3.68Å; F11-Y20 HydrophobicContact CE1-CD1 3.68Å; F11-Y20 AromaticContact CE1-CE1 3.82Å; F11-Y20 HydrophobicContact CE1-CE1 3.82Å; Y20-D22 PolarHBondContact O-N 2.98Å; Y20-F23 AromaticContact CD2-CD2 3.66Å; Y20-F23 HydrophobicContact CD2-CD2 3.66Å; Y20-F23 AromaticContact CD2-CE2 3.36Å; Y20-F23 HydrophobicContact CD2-CE2 3.36Å; Y20-F23 HydrophobicContact CD2-CG 4.41Å; Y20-F23 AromaticContact CD2-CZ 3.87Å; Y20-F23 HydrophobicContact CD2-CZ 3.87Å; Y20-F23 AromaticContact CE2-CE2 3.96Å; Y20-F23 HydrophobicContact CE2-CE2 3.96Å; Y20-F23 HydrophobicContact CE2-CZ 4.43Å; Y20-F23 HydrophobicContact CG-CD2 4.33Å; Y20-F23 HydrophobicContact CG-CE2 4.16Å; Y20-F23 HydrophobicContact CG-CZ 4.34Å; Y20-F23 WeakPolarHBondContact O-CB 3.06Å; Y20-F23 PolarHBondContact O-N 2.98Å; Y20-V24 PolarHBondContact O-N 2.8Å; Y20-V24 VanDerWaalsContact O-N 3.14Å; Y20-H148 AromaticContact CE1-CE1 3.75Å; Y20-H148 AromaticContact CE1-NE2 3.48Å; Y20-H148 WeakPolarHBondContact CE1-NE2 3.37Å; Y20-H148 AromaticContact CZ-NE2 3.63Å; Y20-H148 PolarHBondContact OH-CE1 3.07Å; Y20-H148 PolarHBondContact OH-NE2 3.5Å; Y20-P167 HydrophobicContact CD1-CG 4.46Å; Y20-P167 HydrophobicContact CD2-CB 4.29Å; Y20-P167 HydrophobicContact CE1-CB 4.24Å; Y20-P167 HydrophobicContact CE1-CG 3.89Å; Y20-P167 HydrophobicContact CE2-CB 3.73Å; Y20-P167 HydrophobicContact CE2-CG 4.29Å; Y20-Y168 HydrophobicContact CD2-CE2 4.42Å; Y20-Y168 AromaticContact CE2-CE2 3.74Å; Y20-Y168 HydrophobicContact CE2-CE2 3.74Å
21K94.5Very high96.4Very high72 Ų7259.4 Ų59.431%0.31330%0.295SS..Hα-helixtrans-55.5-39.1-179.8-77.7-173.1-175.11760113.4Y8 E9 K10 F11 E12 M19 F23 V24 K25Y8-K21 WeakPolarHBondContact O-CE 3.39Å; Y8-K21 PolarHBondContact O-NZ 3.04Å; E9-K21 VanDerWaalsContact C-NZ 3.27Å; E9-K21 VanDerWaalsContact O-CD 3.24Å; E9-K21 WeakPolarHBondContact O-CD 3.5Å; E9-K21 WeakPolarHBondContact O-CE 3.33Å; E9-K21 PolarHBondContact O-NZ 3.48Å; K10-K21 PolarHBondContact O-N 2.94Å; F11-K21 WeakPolarHBondContact O-CE 3.37Å; E12-K21 HydrophobicContact CB-CG 3.8Å; M19-K21 PolarHBondContact O-N 3.39Å; K21-F23 PolarHBondContact O-N 3.41Å; K21-V24 PolarHBondContact O-N 2.88Å; K21-K25 PolarHBondContact O-N 3.32Å
22D94Very high96.5Very high83 Ų8363 Ų6344%0.44432%0.318SS..Hα-helixtrans-59.5-30.1178-64.6-24.9000112.1Y20 Y26 R84Y20-D22 PolarHBondContact O-N 2.98Å; D22-Y26 WeakPolarHBondContact O-CD2 3.45Å; D22-R84 WeakPolarHBondContact CB-O 3.22Å
23F96.4Very high96.7Very high17 Ų1758.8 Ų58.88%0.07530%0.298CS..Hα-helixtrans-82.2-42.5178.9-59.81.6000110.2M19 Y20 K21 K25 Y26 W27 F80 E82 C83 R84M19-F23 HydrophobicContact CE-CD2 4.43Å; Y20-F23 AromaticContact CD2-CD2 3.66Å; Y20-F23 HydrophobicContact CD2-CD2 3.66Å; Y20-F23 AromaticContact CD2-CE2 3.36Å; Y20-F23 HydrophobicContact CD2-CE2 3.36Å; Y20-F23 HydrophobicContact CD2-CG 4.41Å; Y20-F23 AromaticContact CD2-CZ 3.87Å; Y20-F23 HydrophobicContact CD2-CZ 3.87Å; Y20-F23 AromaticContact CE2-CE2 3.96Å; Y20-F23 HydrophobicContact CE2-CE2 3.96Å; Y20-F23 HydrophobicContact CE2-CZ 4.43Å; Y20-F23 HydrophobicContact CG-CD2 4.33Å; Y20-F23 HydrophobicContact CG-CE2 4.16Å; Y20-F23 HydrophobicContact CG-CZ 4.34Å; Y20-F23 WeakPolarHBondContact O-CB 3.06Å; Y20-F23 PolarHBondContact O-N 2.98Å; K21-F23 PolarHBondContact O-N 3.41Å; F23-K25 VanDerWaalsContact C-N 3.28Å; F23-K25 PolarHBondContact O-N 3.01Å; F23-Y26 PolarHBondContact O-N 3.03Å; F23-W27 PolarHBondContact O-N 2.69Å; F23-F80 HydrophobicContact CE2-CE2 4.41Å; F23-F80 HydrophobicContact CE2-CZ 4.36Å; F23-F80 HydrophobicContact CZ-CE2 4.48Å; F23-E82 WeakPolarHBondContact CB-O 3.49Å; F23-E82 HydrophobicContact CD2-CG 4.09Å; F23-E82 WeakPolarHBondContact CD2-O 3.16Å; F23-E82 HydrophobicContact CE2-CG 4.49Å; F23-E82 WeakPolarHBondContact CG-O 3.48Å; F23-C83 HydrophobicContact CE1-CB 4.19Å; F23-C83 HydrophobicContact CE2-CB 4.41Å; F23-C83 HydrophobicContact CZ-CB 3.93Å; F23-R84 WeakPolarHBondContact CD1-O 3.3Å; F23-R84 WeakPolarHBondContact CE1-O 3.47Å
24V96.6Very high96.9Very high22 Ų2258.1 Ų58.113%0.13330%0.295CS..Hα-helixtrans-60-39179.4178.60000111.6E12 L14 M19 Y20 K21 Y26 W27E12-V24 HydrophobicContact CB-CG2 4.28Å; E12-V24 HydrophobicContact CG-CG1 4.14Å; L14-V24 HydrophobicContact CB-CG2 4.16Å; M19-V24 HydrophobicContact CB-CG2 3.61Å; Y20-V24 PolarHBondContact O-N 2.8Å; Y20-V24 VanDerWaalsContact O-N 3.14Å; K21-V24 PolarHBondContact O-N 2.88Å; V24-Y26 PolarHBondContact O-N 2.73Å; V24-W27 VanDerWaalsContact O-CB 3.31Å; V24-W27 WeakPolarHBondContact O-CB 3.43Å; V24-W27 PolarHBondContact O-N 2.62Å
25K95.8Very high97Very high148 Ų14857.6 Ų57.664%0.64329%0.293SS*.THydrogen-bonded Turntrans-53-29.4178.2-177.9178.3176.1-1650113.9K21 F23K21-K25 PolarHBondContact O-N 3.32Å; F23-K25 VanDerWaalsContact C-N 3.28Å; F23-K25 PolarHBondContact O-N 3.01Å
26Y96.3Very high97.2Very high60 Ų6054.5 Ų54.524%0.23528%0.276CS..THydrogen-bonded Turntrans-120.125.6-176.9-57.1-79.2000112.1D22 F23 V24 E28 D29 R84D22-Y26 WeakPolarHBondContact O-CD2 3.45Å; F23-Y26 PolarHBondContact O-N 3.03Å; V24-Y26 PolarHBondContact O-N 2.73Å; Y26-E28 PolarHBondContact O-N 3.26Å; Y26-D29 PolarHBondContact O-N 2.93Å; Y26-R84 HydrophobicContact CD2-CB 4.02Å; Y26-R84 VanDerWaalsContact CD2-CD 3.41Å; Y26-R84 HydrophobicContact CD2-CG 3.56Å; Y26-R84 HydrophobicContact CE2-CG 3.93Å; Y26-R84 VanDerWaalsContact CG-CD 3.43Å; Y26-R84 HydrophobicContact CG-CG 4.12Å
27W98Very high97.4Very high19 Ų1955.8 Ų55.87%0.07227%0.273CS..Hα-helixtrans-62.2-31-173.4-174.9-105.7000113.7L14 H15 M19 F23 V24 D29 V30 E31 E82 L108 L112L14-W27 HydrophobicContact CD1-CB 4.47Å; L14-W27 HydrophobicContact CD1-CD2 4.19Å; L14-W27 HydrophobicContact CD1-CG 3.83Å; L14-W27 HydrophobicContact CD2-CD2 3.18Å; L14-W27 HydrophobicContact CD2-CE3 3.37Å; L14-W27 HydrophobicContact CD2-CG 3.72Å; L14-W27 HydrophobicContact CD2-CH2 3.83Å; L14-W27 HydrophobicContact CD2-CZ2 3.68Å; L14-W27 HydrophobicContact CD2-CZ3 3.68Å; L14-W27 HydrophobicContact CG-CD2 4.25Å; L14-W27 HydrophobicContact CG-CG 4.4Å; H15-W27 AromaticContact NE2-NE1 3.99Å; M19-W27 HydrophobicContact CE-CZ3 4.39Å; F23-W27 PolarHBondContact O-N 2.69Å; V24-W27 VanDerWaalsContact O-CB 3.31Å; V24-W27 WeakPolarHBondContact O-CB 3.43Å; V24-W27 PolarHBondContact O-N 2.62Å; W27-D29 PolarHBondContact O-N 2.74Å; W27-V30 HydrophobicContact CD2-CB 4.3Å; W27-V30 HydrophobicContact CE3-CB 3.97Å; W27-V30 HydrophobicContact CE3-CG1 4.17Å; W27-V30 HydrophobicContact CE3-CG2 4.18Å; W27-V30 HydrophobicContact CH2-CG1 3.89Å; W27-V30 HydrophobicContact CZ2-CG1 4.4Å; W27-V30 HydrophobicContact CZ3-CB 4.1Å; W27-V30 HydrophobicContact CZ3-CG1 3.77Å; W27-V30 HydrophobicContact CZ3-CG2 4.4Å; W27-V30 WeakPolarHBondContact O-CA 3.42Å; W27-V30 WeakPolarHBondContact O-CB 3.41Å; W27-V30 PolarHBondContact O-N 2.95Å; W27-E31 PolarHBondContact O-N 3.43Å; W27-E82 HydrophobicContact CZ3-CB 4.08Å; W27-L108 HydrophobicContact CH2-CD1 3.7Å; W27-L108 HydrophobicContact CH2-CD2 3.53Å; W27-L108 HydrophobicContact CH2-CG 4.26Å; W27-L108 HydrophobicContact CZ3-CD1 4.3Å; W27-L108 HydrophobicContact CZ3-CD2 3.91Å; W27-L112 HydrophobicContact CH2-CB 4.35Å; W27-L112 HydrophobicContact CZ2-CB 4.28Å
28E97.9Very high97.5Very high146 Ų14658.1 Ų58.168%0.68229%0.285SS*.Hα-helixtrans-55.9-37.8177.3-173.4174.9-175.500112.2Y26 V30 E31 T32Y26-E28 PolarHBondContact O-N 3.26Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 3.21Å; E28-E31 PolarHBondContact O-N 2.97Å; E28-T32 HydrophobicContact CG-CG2 4.41Å; E28-T32 WeakPolarHBondContact O-CB 3.29Å; E28-T32 WeakPolarHBondContact O-CG2 3.4Å; E28-T32 PolarHBondContact O-N 3.18Å; E28-T32 PolarHBondContact O-OG1 3.26Å
29D98.1Very high97.5Very high64 Ų6457.8 Ų57.834%0.34228%0.283SS..Hα-helixtrans-66.8-32.5177.1-64.8-11.2000111.8Y26 W27 F33 R84 V92Y26-D29 PolarHBondContact O-N 2.93Å; W27-D29 PolarHBondContact O-N 2.74Å; D29-F33 PolarHBondContact O-N 3.41Å; D29-R84 IonicContact OD2-CZ 3.14Å; D29-R84 IonicContact OD2-NH1 3.85Å; D29-R84 PolarHBondContact OD2-NH1 3.06Å; D29-V92 HydrophobicContact CB-CG1 4.32Å; D29-V92 HydrophobicContact CB-CG2 4.36Å
30V98.6Very high97.6Very high6 Ų657.9 Ų57.94%0.03628%0.283CS..Hα-helixtrans-75.1-49.1175.9-178.40000109.9W27 E28 T32 F33 L81 E82 V92 L108 P114W27-V30 HydrophobicContact CD2-CB 4.3Å; W27-V30 HydrophobicContact CE3-CB 3.97Å; W27-V30 HydrophobicContact CE3-CG1 4.17Å; W27-V30 HydrophobicContact CE3-CG2 4.18Å; W27-V30 HydrophobicContact CH2-CG1 3.89Å; W27-V30 HydrophobicContact CZ2-CG1 4.4Å; W27-V30 HydrophobicContact CZ3-CB 4.1Å; W27-V30 HydrophobicContact CZ3-CG1 3.77Å; W27-V30 HydrophobicContact CZ3-CG2 4.4Å; W27-V30 WeakPolarHBondContact O-CA 3.42Å; W27-V30 WeakPolarHBondContact O-CB 3.41Å; W27-V30 PolarHBondContact O-N 2.95Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 3.21Å; V30-T32 VanDerWaalsContact C-N 3.27Å; V30-T32 PolarHBondContact O-N 3.32Å; V30-F33 WeakPolarHBondContact O-CB 3.35Å; V30-F33 PolarHBondContact O-N 3.42Å; V30-F33 VanDerWaalsContact O-N 3.12Å; V30-L81 HydrophobicContact CG1-CG 4.34Å; V30-E82 HydrophobicContact CG1-CB 4.1Å; V30-E82 HydrophobicContact CG2-CB 4.06Å; V30-V92 HydrophobicContact CG2-CG2 4.12Å; V30-L108 HydrophobicContact CG1-CD1 4.27Å; V30-P114 HydrophobicContact CG1-CG 4.09Å; V30-P114 WeakPolarHBondContact O-CB 3.31Å; V30-P114 WeakPolarHBondContact O-CG 3.43Å
31E98.3Very high97.7Very high114 Ų11456.8 Ų56.853%0.53328%0.279SS..Hα-helixtrans-59.3-38.8-178.5-174.3171.2-154.800112W27 E28W27-E31 PolarHBondContact O-N 3.43Å; E28-E31 PolarHBondContact O-N 2.97Å
32T98.4Very high97.9Very high79 Ų7953.3 Ų53.349%0.48526%0.264SS..THydrogen-bonded Turntrans-90.43.8179.962.70000114.2E28 V30 Q34E28-T32 HydrophobicContact CG-CG2 4.41Å; E28-T32 WeakPolarHBondContact O-CB 3.29Å; E28-T32 WeakPolarHBondContact O-CG2 3.4Å; E28-T32 PolarHBondContact O-N 3.18Å; E28-T32 PolarHBondContact O-OG1 3.26Å; V30-T32 VanDerWaalsContact C-N 3.27Å; V30-T32 PolarHBondContact O-N 3.32Å; T32-Q34 PolarHBondContact O-N 3.43Å; T32-Q34 PolarHBondContact O-NE2 2.91Å
33F98.9Very high98.2Very high5 Ų549.4 Ų49.42%0.02224%0.243CC..  trans-53134.8-177.9179.8-98.4000112.6D29 V30 L81 V92 L95 P114 S116 F117D29-F33 PolarHBondContact O-N 3.41Å; V30-F33 WeakPolarHBondContact O-CB 3.35Å; V30-F33 PolarHBondContact O-N 3.42Å; V30-F33 VanDerWaalsContact O-N 3.12Å; F33-L81 HydrophobicContact CB-CD1 4.39Å; F33-L81 HydrophobicContact CD1-CD1 3.98Å; F33-L81 HydrophobicContact CD2-CD1 3.96Å; F33-L81 HydrophobicContact CE1-CD1 4.26Å; F33-L81 HydrophobicContact CE2-CD1 4.24Å; F33-L81 HydrophobicContact CG-CD1 3.81Å; F33-L81 HydrophobicContact CZ-CD1 4.36Å; F33-V92 HydrophobicContact CD2-CG1 4.08Å; F33-V92 HydrophobicContact CD2-CG2 4.27Å; F33-L95 HydrophobicContact CE2-CB 3.63Å; F33-L95 HydrophobicContact CE2-CD1 3.95Å; F33-L95 HydrophobicContact CE2-CG 4.43Å; F33-L95 HydrophobicContact CZ-CB 3.74Å; F33-L95 HydrophobicContact CZ-CD1 3.81Å; F33-L95 HydrophobicContact CZ-CG 4.33Å; F33-P114 HydrophobicContact CB-CB 4.24Å; F33-P114 HydrophobicContact CB-CG 4.22Å; F33-S116 WeakPolarHBondContact O-CB 3.49Å; F33-F117 AromaticContact CD1-CE2 3.64Å; F33-F117 HydrophobicContact CD1-CE2 3.64Å; F33-F117 AromaticContact CD1-CZ 3.64Å; F33-F117 HydrophobicContact CD1-CZ 3.64Å; F33-F117 HydrophobicContact CE1-CE1 4.07Å; F33-F117 AromaticContact CE1-CE2 3.88Å; F33-F117 HydrophobicContact CE1-CE2 3.88Å; F33-F117 AromaticContact CE1-CZ 3.34Å; F33-F117 HydrophobicContact CE1-CZ 3.34Å; F33-F117 HydrophobicContact CZ-CZ 4.43Å
34Q98.8Very high98.3Very high121 Ų12148.6 Ų48.657%0.56524%0.239SC*.  trans-97.3105.2-179.1-62.8-58.6-58.100111.2T32 R102T32-Q34 PolarHBondContact O-N 3.43Å; T32-Q34 PolarHBondContact O-NE2 2.91Å; Q34-R102 PolarHBondContact O-NH2 2.82Å
35A98.9Very high98.4Very high7 Ų747.5 Ų47.56%0.05823%0.233CC..  trans-72.9153.6172.600000111.3D39 S116 F117 K120A35-D39 WeakPolarHBondContact CA-OD2 3.4Å; A35-S116 PolarHBondContact N-OG 2.99Å; A35-F117 HydrophobicContact CB-CB 4.45Å; A35-F117 HydrophobicContact CB-CD1 3.51Å; A35-F117 HydrophobicContact CB-CE1 3.77Å; A35-F117 HydrophobicContact CB-CG 3.92Å; A35-F117 HydrophobicContact CB-CZ 4.39Å; A35-K120 HydrophobicContact CB-CG 4.18Å
36R98.8Very high98.5Very high66 Ų6640.7 Ų40.725%0.24920%0.204CC..  trans-107.4148.6170.8-60.8172.3-167.21666.5109D38 D39 D96 M98 S100 C122R36-D38 WeakPolarHBondContact CB-OD1 3.22Å; R36-D38 PolarHBondContact O-N 3.27Å; R36-D39 PolarHBondContact N-OD2 3.48Å; R36-D39 WeakPolarHBondContact O-CB 3.46Å; R36-D39 PolarHBondContact O-N 3.34Å; R36-D96 PolarHBondContact NH2-O 3.3Å; R36-M98 VanDerWaalsContact CZ-O 3.28Å; R36-M98 PolarHBondContact NH1-O 3.23Å; R36-M98 PolarHBondContact NH2-O 3.41Å; R36-S100 WeakPolarHBondContact CD-OG 3.47Å; R36-S100 VanDerWaalsContact NH1-N 3.14Å; R36-S100 PolarHBondContact NH1-OG 2.78Å; R36-S100 VanDerWaalsContact NH1-OG 3.15Å; R36-C122 PolarHBondContact O-SG 3.3Å
37P98.5Very high98.7Very high88 Ų8839 Ų3957%0.57120%0.198SC*.THydrogen-bonded Turntrans-57.4-24.4-177.3-25.134.4000115.1K120P37-K120 HydrophobicContact CG-CD 4.42Å
38D98.6Very high98.7Very high71 Ų7138.1 Ų38.138%0.3819%0.194SC..THydrogen-bonded Turntrans-100.68-178.868.6-31.5000114R36 S100 P101R36-D38 WeakPolarHBondContact CB-OD1 3.22Å; R36-D38 PolarHBondContact O-N 3.27Å; D38-S100 PolarHBondContact OD1-OG 2.96Å; D38-S100 VanDerWaalsContact OD1-OG 3.05Å; D38-S100 WeakPolarHBondContact OD2-CB 3.36Å; D38-S100 PolarHBondContact OD2-OG 3.43Å; D38-P101 WeakPolarHBondContact OD2-CA 3.46Å
39D98.9Very high98.7Very high3 Ų332 Ų322%0.01617%0.17CC..  trans-65.5139.7171-70.4-20.2000111A35 R36 R102 F117 C122A35-D39 WeakPolarHBondContact CA-OD2 3.4Å; R36-D39 PolarHBondContact N-OD2 3.48Å; R36-D39 WeakPolarHBondContact O-CB 3.46Å; R36-D39 PolarHBondContact O-N 3.34Å; D39-R102 WeakPolarHBondContact OD1-CB 3.28Å; D39-R102 IonicContact OD1-CZ 3.96Å; D39-R102 IonicContact OD1-NE 2.74Å; D39-R102 PolarHBondContact OD1-NE 2.94Å; D39-R102 IonicContact OD1-NH2 2.68Å; D39-R102 PolarHBondContact OD1-NH2 3.14Å; D39-R102 IonicContact OD2-CZ 3.55Å; D39-R102 IonicContact OD2-NE 3.28Å; D39-R102 IonicContact OD2-NH2 3.64Å; D39-R102 PolarHBondContact OD2-NH2 2.89Å; D39-F117 HydrophobicContact CB-CE1 4.16Å; D39-C122 WeakPolarHBondContact O-CB 3.31Å
40L98.9Very high98.8Very high1 Ų129.4 Ų29.41%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-107.2122168.2174.265.3000109.4A57 Y61 R102 I103 V104 K123 I125 F209 L210L40-A57 HydrophobicContact CD2-CB 4.28Å; L40-Y61 HydrophobicContact CD2-CE2 3.75Å; L40-R102 PolarHBondContact N-O 2.94Å; L40-I103 HydrophobicContact CD2-CG1 4.38Å; L40-I103 HydrophobicContact CD2-CG2 4.24Å; L40-I103 HydrophobicContact CG-CG2 4.46Å; L40-I103 CarbonylContact O-C 3.59Å; L40-I103 WeakPolarHBondContact O-CA 3.35Å; L40-V104 PolarHBondContact O-N 3.43Å; L40-K123 HydrophobicContact CD1-CB 3.82Å; L40-I125 HydrophobicContact CD1-CD1 3.97Å; L40-I125 HydrophobicContact CD1-CG1 4.13Å; L40-I125 HydrophobicContact CD2-CD1 4.11Å; L40-I125 HydrophobicContact CG-CD1 4.46Å; L40-F209 HydrophobicContact CD1-CE1 4.48Å; L40-L210 HydrophobicContact CD1-CD2 3.87Å; L40-L210 HydrophobicContact CD2-CD1 4.43Å; L40-L210 HydrophobicContact CD2-CD2 3.69Å; L40-L210 HydrophobicContact CG-CD2 4.4Å
41V98.9Very high98.8Very high0 Ų029.7 Ų29.70%016%0.159CC..EExtended strand (participates in β ladder)trans-95.1131.4174-175.50000110.1A43 V104 T106 L113 F117 K123 I124 I125V41-A43 HydrophobicContact CG1-CB 4.35Å; V41-V104 CarbonylContact C-O 3.5Å; V41-V104 HydrophobicContact CG2-CB 4.5Å; V41-T106 HydrophobicContact CG1-CG2 3.74Å; V41-L113 HydrophobicContact CG1-CD1 4.32Å; V41-F117 HydrophobicContact CG2-CD1 3.4Å; V41-F117 HydrophobicContact CG2-CE1 3.54Å; V41-F117 HydrophobicContact CG2-CG 3.98Å; V41-F117 HydrophobicContact CG2-CZ 4.21Å; V41-K123 PolarHBondContact N-O 2.95Å; V41-I124 HydrophobicContact CB-CB 4.38Å; V41-I124 HydrophobicContact CB-CG1 4.07Å; V41-I124 HydrophobicContact CB-CG2 4.11Å; V41-I124 HydrophobicContact CG1-CG2 4.27Å; V41-I124 HydrophobicContact CG2-CG1 4.43Å; V41-I124 CarbonylContact O-C 3.29Å; V41-I124 VanDerWaalsContact O-CA 3.31Å; V41-I124 WeakPolarHBondContact O-CA 3.49Å; V41-I125 PolarHBondContact O-N 2.74Å
42I98.9Very high98.8Very high0 Ų026 Ų260%014%0.139CC..EExtended strand (participates in β ladder)trans-109.6102.5168.1-60.4-178.4000107.4T50 V53 A57 I103 V104 T106 I125I42-T50 HydrophobicContact CG2-CG2 4.3Å; I42-V53 HydrophobicContact CG2-CG1 3.7Å; I42-A57 HydrophobicContact CD1-CB 3.84Å; I42-I103 HydrophobicContact CD1-CG2 3.6Å; I42-I103 HydrophobicContact CG1-CG2 3.99Å; I42-V104 PolarHBondContact N-O 2.78Å; I42-T106 PolarHBondContact O-N 3.19Å; I42-I125 WeakPolarHBondContact CA-O 3.41Å
43A98.9Very high98.8Very high0 Ų022.2 Ų22.20%012%0.116CC..EExtended strand (participates in β ladder)trans-105.5135.9-178.200000110.7V41 T106 I124 I125 Y126 L127 W178V41-A43 HydrophobicContact CG1-CB 4.35Å; A43-T106 WeakPolarHBondContact CA-O 3.3Å; A43-T106 HydrophobicContact CB-CG2 3.91Å; A43-I124 HydrophobicContact CB-CG2 4.25Å; A43-I125 PolarHBondContact N-O 2.92Å; A43-Y126 HydrophobicContact CB-CD2 3.94Å; A43-Y126 VanDerWaalsContact O-CA 3.3Å; A43-Y126 WeakPolarHBondContact O-CA 3.39Å; A43-Y126 VanDerWaalsContact O-CD2 3.22Å; A43-Y126 WeakPolarHBondContact O-CD2 3.41Å; A43-L127 PolarHBondContact O-N 2.87Å; A43-L127 VanDerWaalsContact O-N 3.14Å; A43-W178 HydrophobicContact CB-CH2 3.84Å; A43-W178 HydrophobicContact CB-CZ2 3.49Å; A43-W178 VanDerWaalsContact CB-CZ2 3.49Å
44T98.9Very high98.8Very high0 Ų022.1 Ų22.10%012%0.116CC..EExtended strand (participates in β ladder)trans-152.6148.6178.852.20000110.5T50 T106 H107 L127T44-T50 HydrophobicContact CG2-CG2 4.05Å; T44-T50 WeakPolarHBondContact OG1-CB 3.47Å; T44-T50 VanDerWaalsContact OG1-CG2 3.28Å; T44-T50 WeakPolarHBondContact OG1-CG2 3.33Å; T44-T50 PolarHBondContact OG1-OG1 3.45Å; T44-T106 PolarHBondContact N-O 2.76Å; T44-H107 VanDerWaalsContact O-CA 3.23Å; T44-H107 WeakPolarHBondContact O-CA 3.43Å; T44-H107 PolarHBondContact O-ND1 2.68Å; T44-H107 PolarHBondContact OG1-CE1 2.89Å; T44-H107 PolarHBondContact OG1-ND1 2.91Å; T44-L127 HydrophobicContact CG2-CB 3.71Å; T44-L127 WeakPolarHBondContact CG2-O 3.31Å
45Y98.9Very high98.9Very high0 Ų016.3 Ų16.30%09%0.089CC..  trans-65.3144.5157.8-169.3-91.4000108.9K47 S48 V134 F138 F161 V166 G169 W171 H174Y45-K47 PolarHBondContact O-N 2.98Å; Y45-S48 VanDerWaalsContact O-CB 3.27Å; Y45-S48 WeakPolarHBondContact O-CB 3.28Å; Y45-S48 PolarHBondContact O-N 3.32Å; Y45-S48 PolarHBondContact O-OG 3.21Å; Y45-V134 HydrophobicContact CD1-CG1 3.66Å; Y45-V134 HydrophobicContact CE1-CG1 3.77Å; Y45-F138 HydrophobicContact CE1-CD1 4.05Å; Y45-F138 AromaticContact CE1-CE1 3.97Å; Y45-F138 HydrophobicContact CE1-CE1 3.97Å; Y45-F161 AromaticContact CE1-CE2 3.88Å; Y45-F161 HydrophobicContact CE1-CE2 3.88Å; Y45-V166 WeakPolarHBondContact OH-CG2 3.49Å; Y45-G169 WeakPolarHBondContact CE2-O 3.23Å; Y45-G169 PolarHBondContact OH-O 3.03Å; Y45-W171 HydrophobicContact CD1-CB 4.37Å; Y45-W171 AromaticContact CD1-CD1 3.56Å; Y45-W171 HydrophobicContact CD1-CG 4.37Å; Y45-W171 HydrophobicContact CD2-CB 4.26Å; Y45-W171 HydrophobicContact CE1-CB 4.09Å; Y45-W171 HydrophobicContact CE1-CG 4.49Å; Y45-W171 HydrophobicContact CE2-CB 3.98Å; Y45-W171 HydrophobicContact CG-CB 4.43Å; Y45-W171 AromaticContact CG-CD1 3.7Å; Y45-W171 HydrophobicContact CG-CG 4.43Å; Y45-H174 HydrophobicContact CD2-CB 3.83Å; Y45-H174 AromaticContact CD2-CD2 3.95Å; Y45-H174 AromaticContact CD2-CG 3.73Å; Y45-H174 HydrophobicContact CE2-CB 4.49Å; Y45-H174 PolarHBondContact N-CE1 2.69Å
46P98.9Very high98.9Very high4 Ų416 Ų163%0.0269%0.087CC..THydrogen-bonded Turntrans-46.2139.4179.4-30.133.2000113.1S48 H107 F138 Y168P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 2.62Å; P46-H107 HydrophobicContact CG-CB 4.27Å; P46-F138 HydrophobicContact CB-CD1 4.48Å; P46-F138 HydrophobicContact CB-CE1 4.02Å; P46-F138 HydrophobicContact CB-CE2 4.21Å; P46-F138 HydrophobicContact CB-CZ 3.86Å; P46-F138 HydrophobicContact CG-CE1 4.24Å; P46-F138 HydrophobicContact CG-CZ 4.05Å; P46-Y168 HydrophobicContact CG-CD2 3.29Å; P46-Y168 HydrophobicContact CG-CE2 3.91Å; P46-Y168 HydrophobicContact CG-CG 3.97Å
47K98.8Very high98.9Very high26 Ų2612.9 Ų12.911%0.1138%0.075CC..THydrogen-bonded Turntrans68.119.2174.6-40.3-51.1-61.61760115.7Y45 R129 S137 F138 F141Y45-K47 PolarHBondContact O-N 2.98Å; K47-R129 PolarHBondContact O-NH1 3.46Å; K47-S137 WeakPolarHBondContact CE-OG 3.22Å; K47-F138 HydrophobicContact CG-CB 3.96Å; K47-F138 HydrophobicContact CG-CD2 4.1Å; K47-F138 HydrophobicContact CG-CG 4.09Å; K47-F141 HydrophobicContact CD-CB 3.95Å; K47-F141 HydrophobicContact CD-CD1 4.27Å; K47-F141 HydrophobicContact CD-CD2 3.91Å; K47-F141 HydrophobicContact CD-CE2 4.44Å; K47-F141 HydrophobicContact CD-CG 3.8Å
48S98.9Very high98.9Very high0 Ų010.8 Ų10.80%06%0.056CC..SBendtrans-88.85.6176.4-51.60000114.7Y45 P46 L127Y45-S48 VanDerWaalsContact O-CB 3.27Å; Y45-S48 WeakPolarHBondContact O-CB 3.28Å; Y45-S48 PolarHBondContact O-N 3.32Å; Y45-S48 PolarHBondContact O-OG 3.21Å; P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 2.62Å; S48-L127 VanDerWaalsContact O-CD2 3.25Å; S48-L127 WeakPolarHBondContact O-CD2 3.26Å
49G98.7Very high98.9Very high16 Ų167.4 Ų7.417%0.1654%0.038CC..SBendtrans104.621.4-179.700000115T51 W52 V53 L127G49-T51 PolarHBondContact O-N 3.37Å; G49-W52 VanDerWaalsContact O-CB 3.31Å; G49-W52 WeakPolarHBondContact O-CB 3.21Å; G49-W52 PolarHBondContact O-N 2.92Å; G49-V53 PolarHBondContact O-N 3.2Å; G49-L127 WeakPolarHBondContact O-CD2 3.29Å
50T98.9Very high98.9Very high10 Ų107.3 Ų7.36%0.0614%0.037CC..Hα-helixtrans-50-52.9-177.5-33.20000113I42 T44 W52 V53 S54 K105 H107I42-T50 HydrophobicContact CG2-CG2 4.3Å; T44-T50 HydrophobicContact CG2-CG2 4.05Å; T44-T50 WeakPolarHBondContact OG1-CB 3.47Å; T44-T50 VanDerWaalsContact OG1-CG2 3.28Å; T44-T50 WeakPolarHBondContact OG1-CG2 3.33Å; T44-T50 PolarHBondContact OG1-OG1 3.45Å; T50-W52 PolarHBondContact O-N 3.39Å; T50-V53 WeakPolarHBondContact O-CG1 3.11Å; T50-V53 PolarHBondContact O-N 2.89Å; T50-S54 VanDerWaalsContact O-CB 3.23Å; T50-S54 WeakPolarHBondContact O-CB 3.28Å; T50-S54 PolarHBondContact O-N 3.34Å; T50-S54 PolarHBondContact O-OG 3.3Å; T50-K105 HydrophobicContact CG2-CD 4.12Å; T50-K105 HydrophobicContact CG2-CG 3.91Å; T50-H107 PolarHBondContact OG1-CE1 3.19Å
51T98.9Very high98.9Very high13 Ų1310.1 Ų10.18%0.085%0.048CC..Hα-helixtrans-56.9-36.1178.9-49.90000112.2G49 E55 I74 M231 T237 Y239 F254 M255G49-T51 PolarHBondContact O-N 3.37Å; T51-E55 PolarHBondContact O-N 3.06Å; T51-I74 HydrophobicContact CG2-CD1 3.69Å; T51-I74 HydrophobicContact CG2-CG2 4.42Å; T51-M231 HydrophobicContact CG2-CE 3.95Å; T51-T237 WeakPolarHBondContact CG2-O 3.45Å; T51-Y239 HydrophobicContact CG2-CE2 4.03Å; T51-F254 HydrophobicContact CG2-CE1 4.17Å; T51-F254 WeakPolarHBondContact OG1-CE1 3.49Å; T51-F254 VanDerWaalsContact OG1-CZ 3.28Å; T51-F254 WeakPolarHBondContact OG1-CZ 3.27Å; T51-M255 HydrophobicContact CG2-CE 3.79Å
52W98.9Very high98.8Very high35 Ų3511 Ų1113%0.1335%0.054CC..Hα-helixtrans-68.5-52.3-178.5-168.215.5000111.3G49 T50 S54 E55 I56 Y192 L195 K196 I199 T226 M231G49-W52 VanDerWaalsContact O-CB 3.31Å; G49-W52 WeakPolarHBondContact O-CB 3.21Å; G49-W52 PolarHBondContact O-N 2.92Å; T50-W52 PolarHBondContact O-N 3.39Å; W52-S54 VanDerWaalsContact C-N 3.3Å; W52-S54 PolarHBondContact O-N 2.98Å; W52-E55 PolarHBondContact O-N 3.37Å; W52-I56 HydrophobicContact CG-CD1 4.5Å; W52-I56 WeakPolarHBondContact O-CG1 3.23Å; W52-I56 PolarHBondContact O-N 2.81Å; W52-Y192 AromaticContact CE3-CD2 3.88Å; W52-Y192 HydrophobicContact CE3-CD2 3.88Å; W52-Y192 AromaticContact CE3-CE2 3.48Å; W52-Y192 HydrophobicContact CE3-CE2 3.48Å; W52-Y192 VanDerWaalsContact CE3-CE2 3.48Å; W52-Y192 AromaticContact CZ3-CD2 3.98Å; W52-Y192 HydrophobicContact CZ3-CD2 3.98Å; W52-Y192 AromaticContact CZ3-CE2 3.59Å; W52-Y192 HydrophobicContact CZ3-CE2 3.59Å; W52-Y192 AromaticContact CZ3-CZ 3.99Å; W52-L195 HydrophobicContact CD2-CD2 4.2Å; W52-L195 HydrophobicContact CE3-CB 4.28Å; W52-L195 HydrophobicContact CE3-CD2 4.05Å; W52-L195 HydrophobicContact CH2-CB 3.67Å; W52-L195 WeakPolarHBondContact CH2-O 3.45Å; W52-L195 HydrophobicContact CZ2-CB 4.37Å; W52-L195 HydrophobicContact CZ3-CB 3.63Å; W52-L195 HydrophobicContact CZ3-CD2 4.24Å; W52-K196 HydrophobicContact CH2-CD 3.63Å; W52-K196 HydrophobicContact CH2-CG 4.15Å; W52-K196 HydrophobicContact CZ3-CD 3.71Å; W52-K196 HydrophobicContact CZ3-CG 4Å; W52-I199 HydrophobicContact CH2-CD1 4.44Å; W52-I199 HydrophobicContact CZ2-CD1 3.8Å; W52-I199 HydrophobicContact CZ2-CG1 4.46Å; W52-T226 VanDerWaalsContact CD1-O 3.3Å; W52-T226 PolarHBondContact NE1-O 3.23Å; W52-M231 HydrophobicContact CG-SD 4.47Å
53V98.9Very high98.8Very high0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-69.2-29.4177.466.60000112.5I42 G49 T50 I56 A57 I125 L127 L190 L206I42-V53 HydrophobicContact CG2-CG1 3.7Å; G49-V53 PolarHBondContact O-N 3.2Å; T50-V53 WeakPolarHBondContact O-CG1 3.11Å; T50-V53 PolarHBondContact O-N 2.89Å; V53-I56 PolarHBondContact O-N 3.06Å; V53-A57 WeakPolarHBondContact O-CB 3.49Å; V53-A57 PolarHBondContact O-N 3.31Å; V53-I125 HydrophobicContact CG2-CG2 3.9Å; V53-L127 HydrophobicContact CB-CD2 4.04Å; V53-L127 HydrophobicContact CG1-CB 4.16Å; V53-L127 HydrophobicContact CG1-CD2 3.77Å; V53-L190 HydrophobicContact CG2-CD1 4.42Å; V53-L206 HydrophobicContact CG2-CD1 4.24Å; V53-L206 HydrophobicContact CG2-CD2 4.44Å
54S98.9Very high98.7Very high3 Ų318.4 Ų18.42%0.0219%0.089CC..Hα-helixtrans-60.9-47.9171.3-71.60000112T50 W52 A57 Y58 I78T50-S54 VanDerWaalsContact O-CB 3.23Å; T50-S54 WeakPolarHBondContact O-CB 3.28Å; T50-S54 PolarHBondContact O-N 3.34Å; T50-S54 PolarHBondContact O-OG 3.3Å; W52-S54 VanDerWaalsContact C-N 3.3Å; W52-S54 PolarHBondContact O-N 2.98Å; S54-A57 PolarHBondContact O-N 3.15Å; S54-Y58 WeakPolarHBondContact O-CB 3.4Å; S54-Y58 PolarHBondContact O-N 3.2Å; S54-I78 VanDerWaalsContact O-CD1 3.3Å; S54-I78 WeakPolarHBondContact O-CD1 3.45Å
55E98.9Very high98.7Very high0 Ų021.1 Ų21.10%010%0.104CC..Hα-helixtrans-69.8-35.3178.9-16870.6172.200112.1T51 W52 Y58 M59 I74 R77 H225 T226 M231 T237T51-E55 PolarHBondContact O-N 3.06Å; W52-E55 PolarHBondContact O-N 3.37Å; E55-Y58 PolarHBondContact O-N 3.47Å; E55-M59 WeakPolarHBondContact O-CB 3.46Å; E55-M59 WeakPolarHBondContact O-CG 3.32Å; E55-M59 PolarHBondContact O-N 3.48Å; E55-I74 HydrophobicContact CB-CD1 4.3Å; E55-R77 IonicContact OE1-NH2 2.69Å; E55-R77 IonicContact OE2-CZ 3.39Å; E55-R77 VanDerWaalsContact OE2-CZ 3.28Å; E55-R77 IonicContact OE2-NH1 3.88Å; E55-R77 PolarHBondContact OE2-NH1 3.42Å; E55-R77 IonicContact OE2-NH2 2.65Å; E55-R77 PolarHBondContact OE2-NH2 3.19Å; E55-H225 IonicContact OE1-CD2 2.68Å; E55-H225 IonicContact OE1-CE1 3.47Å; E55-H225 IonicContact OE1-NE2 2.74Å; E55-H225 PolarHBondContact OE1-NE2 3.05Å; E55-T226 HydrophobicContact CB-CG2 4.19Å; E55-T226 HydrophobicContact CG-CG2 3.91Å; E55-M231 HydrophobicContact CB-CE 3.49Å; E55-M231 VanDerWaalsContact CB-CE 3.49Å; E55-M231 HydrophobicContact CB-SD 4.32Å; E55-M231 HydrophobicContact CG-CE 3.94Å; E55-T237 VanDerWaalsContact CD-CG2 3.48Å; E55-T237 HydrophobicContact CG-CG2 4.04Å
56I98.9Very high98.7Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-59.7-50.3171.6-66.8166.4000110.3W52 V53 Y58 M59 I60 L195 I199 V203 L206 I222 T226W52-I56 HydrophobicContact CG-CD1 4.5Å; W52-I56 WeakPolarHBondContact O-CG1 3.23Å; W52-I56 PolarHBondContact O-N 2.81Å; V53-I56 PolarHBondContact O-N 3.06Å; I56-Y58 VanDerWaalsContact C-N 3.33Å; I56-Y58 PolarHBondContact O-N 3.34Å; I56-M59 PolarHBondContact O-N 3.09Å; I56-I60 HydrophobicContact CG2-CD1 3.97Å; I56-I60 VanDerWaalsContact O-CG1 3.28Å; I56-I60 WeakPolarHBondContact O-CG1 3.34Å; I56-I60 PolarHBondContact O-N 2.97Å; I56-L195 HydrophobicContact CD1-CD2 4Å; I56-I199 HydrophobicContact CD1-CD1 4.04Å; I56-V203 HydrophobicContact CG2-CG2 4.2Å; I56-L206 HydrophobicContact CG2-CD1 3.68Å; I56-I222 HydrophobicContact CB-CG2 4.39Å; I56-I222 HydrophobicContact CG1-CG2 4.17Å; I56-I222 HydrophobicContact CG2-CG2 3.94Å; I56-T226 HydrophobicContact CG1-CG2 3.75Å
57A98.9Very high98.6Very high0 Ų028.8 Ų28.80%014%0.142CC..Hα-helixtrans-61.4-42.3178.600000111.6L40 I42 V53 S54 I60 Y61 I103L40-A57 HydrophobicContact CD2-CB 4.28Å; I42-A57 HydrophobicContact CD1-CB 3.84Å; V53-A57 WeakPolarHBondContact O-CB 3.49Å; V53-A57 PolarHBondContact O-N 3.31Å; S54-A57 PolarHBondContact O-N 3.15Å; A57-I60 WeakPolarHBondContact O-CB 3.36Å; A57-I60 PolarHBondContact O-N 3.32Å; A57-Y61 VanDerWaalsContact O-CD2 3.29Å; A57-Y61 WeakPolarHBondContact O-CD2 3.5Å; A57-Y61 PolarHBondContact O-N 2.83Å; A57-I103 HydrophobicContact CB-CD1 4.44Å
58Y98.8Very high98.6Very high45 Ų4531.9 Ų31.918%0.17616%0.155CC..Hα-helixtrans-62.7-45.8178.2-160.2-93.7000112.1S54 E55 I56 I60 Y61 T62 C69 R77 I78 I103S54-Y58 WeakPolarHBondContact O-CB 3.4Å; S54-Y58 PolarHBondContact O-N 3.2Å; E55-Y58 PolarHBondContact O-N 3.47Å; I56-Y58 VanDerWaalsContact C-N 3.33Å; I56-Y58 PolarHBondContact O-N 3.34Å; Y58-I60 PolarHBondContact O-N 2.65Å; Y58-Y61 WeakPolarHBondContact O-CB 3.22Å; Y58-Y61 PolarHBondContact O-N 3.3Å; Y58-T62 HydrophobicContact CD1-CG2 3.85Å; Y58-T62 HydrophobicContact CE1-CG2 3.51Å; Y58-T62 PolarHBondContact O-N 3.18Å; Y58-T62 PolarHBondContact O-OG1 3.47Å; Y58-C69 HydrophobicContact CD1-CB 4.13Å; Y58-C69 VanDerWaalsContact CD1-SG 3.57Å; Y58-C69 HydrophobicContact CE1-CB 4.38Å; Y58-R77 HydrophobicContact CD2-CB 4.24Å; Y58-R77 HydrophobicContact CE2-CB 3.74Å; Y58-R77 HydrophobicContact CE2-CG 4.23Å; Y58-I78 HydrophobicContact CD2-CD1 4.12Å; Y58-I78 HydrophobicContact CD2-CG1 4.06Å; Y58-I103 HydrophobicContact CD2-CD1 4.2Å
59M98.8Very high98.5Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-58.9-35.1174.3-77.6-79.8-68.800112.5E55 I56 T62 E63 G64 V66 C69 K221 I222 H225 T226E55-M59 WeakPolarHBondContact O-CB 3.46Å; E55-M59 WeakPolarHBondContact O-CG 3.32Å; E55-M59 PolarHBondContact O-N 3.48Å; I56-M59 PolarHBondContact O-N 3.09Å; M59-T62 PolarHBondContact O-OG1 3.28Å; M59-E63 PolarHBondContact O-N 3.35Å; M59-G64 PolarHBondContact O-N 3.39Å; M59-V66 HydrophobicContact CE-CG2 3.99Å; M59-V66 HydrophobicContact SD-CG2 4.15Å; M59-C69 HydrophobicContact SD-CB 4.31Å; M59-C69 PolarHBondContact SD-SG 2.99Å; M59-K221 HydrophobicContact CE-CB 4.16Å; M59-I222 HydrophobicContact CB-CG1 3.79Å; M59-I222 HydrophobicContact CE-CG1 4.2Å; M59-H225 HydrophobicContact CE-CB 3.89Å; M59-H225 HydrophobicContact SD-CB 4.37Å; M59-H225 PolarHBondContact SD-CD2 2.97Å; M59-T226 HydrophobicContact CG-CG2 4.39Å
60I98.8Very high98.5Very high1 Ų135.5 Ų35.51%0.00517%0.166CC..Hα-helixtrans-67.2-40.5174.6-66.1166.3000110.8I56 A57 Y58 E63 L206 I207 L210 R212 I222I56-I60 HydrophobicContact CG2-CD1 3.97Å; I56-I60 VanDerWaalsContact O-CG1 3.28Å; I56-I60 WeakPolarHBondContact O-CG1 3.34Å; I56-I60 PolarHBondContact O-N 2.97Å; A57-I60 WeakPolarHBondContact O-CB 3.36Å; A57-I60 PolarHBondContact O-N 3.32Å; Y58-I60 PolarHBondContact O-N 2.65Å; I60-E63 PolarHBondContact O-N 2.8Å; I60-L206 HydrophobicContact CD1-CB 3.87Å; I60-I207 HydrophobicContact CD1-CG1 3.7Å; I60-I207 HydrophobicContact CG1-CG1 3.78Å; I60-I207 HydrophobicContact CG2-CG1 4.42Å; I60-L210 HydrophobicContact CB-CD1 4.15Å; I60-L210 HydrophobicContact CD1-CD1 3.93Å; I60-L210 HydrophobicContact CG2-CB 4.22Å; I60-L210 HydrophobicContact CG2-CD1 3.84Å; I60-R212 HydrophobicContact CG2-CB 4.12Å; I60-R212 HydrophobicContact CG2-CG 3.76Å; I60-I222 HydrophobicContact CD1-CD1 4.5Å; I60-I222 HydrophobicContact CG1-CD1 3.59Å
61Y98.3Very high98.4Very high59 Ų5942.1 Ų42.123%0.23120%0.197CC..Hα-helixtrans-69.1-32.5178.3-90.3-112000113L40 A57 Y58 E63 P101 I103 L210L40-Y61 HydrophobicContact CD2-CE2 3.75Å; A57-Y61 VanDerWaalsContact O-CD2 3.29Å; A57-Y61 WeakPolarHBondContact O-CD2 3.5Å; A57-Y61 PolarHBondContact O-N 2.83Å; Y58-Y61 WeakPolarHBondContact O-CB 3.22Å; Y58-Y61 PolarHBondContact O-N 3.3Å; Y61-E63 VanDerWaalsContact C-N 3.3Å; Y61-P101 HydrophobicContact CD1-CG 3.87Å; Y61-P101 HydrophobicContact CE1-CB 3.84Å; Y61-P101 HydrophobicContact CE1-CG 3.59Å; Y61-I103 HydrophobicContact CD1-CD1 4.47Å; Y61-I103 HydrophobicContact CD2-CD1 3.95Å; Y61-I103 HydrophobicContact CE2-CD1 4.23Å; Y61-I103 HydrophobicContact CG-CD1 4.06Å; Y61-L210 HydrophobicContact CD2-CD1 4.4Å; Y61-L210 HydrophobicContact CE2-CD1 4.04Å; Y61-L210 HydrophobicContact CE2-CD2 4.19Å
62T98.2Very high98.4Very high19 Ų1945 Ų4512%0.11721%0.212CC..THydrogen-bonded Turntrans-89.98.8176.463.20000113.4Y58 M59 G64 D65 K68 C69Y58-T62 HydrophobicContact CD1-CG2 3.85Å; Y58-T62 HydrophobicContact CE1-CG2 3.51Å; Y58-T62 PolarHBondContact O-N 3.18Å; Y58-T62 PolarHBondContact O-OG1 3.47Å; M59-T62 PolarHBondContact O-OG1 3.28Å; T62-G64 PolarHBondContact O-N 3.49Å; T62-D65 WeakPolarHBondContact O-CB 3.36Å; T62-D65 PolarHBondContact O-N 3.26Å; T62-D65 VanDerWaalsContact O-N 3.09Å; T62-D65 PolarHBondContact OG1-O 3.2Å; T62-K68 HydrophobicContact CG2-CB 3.91Å; T62-K68 HydrophobicContact CG2-CD 4.33Å; T62-C69 PolarHBondContact OG1-SG 3.36Å; T62-C69 VanDerWaalsContact OG1-SG 3.38Å
63E98.1Very high98.3Very high151 Ų15144.2 Ų44.271%0.70621%0.211SC*.THydrogen-bonded Turntrans55.133.3-179.1-56.1-176.5174.800113.3M59 I60 Y61M59-E63 PolarHBondContact O-N 3.35Å; I60-E63 PolarHBondContact O-N 2.8Å; Y61-E63 VanDerWaalsContact C-N 3.3Å
64G97.8Very high98.3Very high4 Ų444.4 Ų44.44%0.04121%0.212CC..THydrogen-bonded Turntrans80.713.5179.100000114.6M59 T62 V66M59-G64 PolarHBondContact O-N 3.39Å; T62-G64 PolarHBondContact O-N 3.49Å; G64-V66 PolarHBondContact O-N 3.05Å; G64-V66 VanDerWaalsContact O-N 3.15Å
65D98.4Very high98.2Very high58 Ų5845.4 Ų45.431%0.3122%0.216SC..  trans-72.7100.2173.8-171.6-22.1000110.3T62 E67 K68 C69T62-D65 WeakPolarHBondContact O-CB 3.36Å; T62-D65 PolarHBondContact O-N 3.26Å; T62-D65 VanDerWaalsContact O-N 3.09Å; T62-D65 PolarHBondContact OG1-O 3.2Å; D65-E67 VanDerWaalsContact C-N 3.32Å; D65-E67 PolarHBondContact O-N 2.86Å; D65-E67 PolarHBondContact OD1-N 2.9Å; D65-K68 HydrophobicContact CB-CB 4.28Å; D65-K68 HydrophobicContact CB-CD 4.03Å; D65-K68 HydrophobicContact CB-CG 4.27Å; D65-K68 PolarHBondContact OD1-N 3.02Å; D65-K68 VanDerWaalsContact OD2-CD 3.28Å; D65-K68 WeakPolarHBondContact OD2-CD 3.44Å; D65-K68 WeakPolarHBondContact OD2-CE 3.29Å; D65-K68 WeakPolarHBondContact OD2-CG 3.49Å; D65-K68 IonicContact OD2-NZ 2.69Å; D65-K68 PolarHBondContact OD2-NZ 3.31Å; D65-C69 PolarHBondContact O-N 3.21Å; D65-C69 PolarHBondContact O-SG 3.38Å
66V98Very high98.2Very high37 Ų3748 Ų4822%0.22423%0.229CC..Hα-helixtrans-67-31.8-176.9170.20000112.3M59 G64 C69 K70 H225M59-V66 HydrophobicContact CE-CG2 3.99Å; M59-V66 HydrophobicContact SD-CG2 4.15Å; G64-V66 PolarHBondContact O-N 3.05Å; G64-V66 VanDerWaalsContact O-N 3.15Å; V66-C69 WeakPolarHBondContact O-CB 3.45Å; V66-C69 PolarHBondContact O-N 2.79Å; V66-K70 HydrophobicContact CG1-CD 4.08Å; V66-K70 VanDerWaalsContact CG1-CE 3.5Å; V66-K70 WeakPolarHBondContact O-CG 3.1Å; V66-K70 PolarHBondContact O-N 3.44Å; V66-H225 HydrophobicContact CG2-CB 4.46Å
67E98.1Very high98.2Very high128 Ų12848.7 Ų48.760%0.59823%0.232SC*.Hα-helixtrans-70.2-42.6-177.9-62.7-52.8124.400110D65 C69 K70 E71D65-E67 VanDerWaalsContact C-N 3.32Å; D65-E67 PolarHBondContact O-N 2.86Å; D65-E67 PolarHBondContact OD1-N 2.9Å; E67-C69 PolarHBondContact O-N 3.07Å; E67-K70 CarbonylContact O-C 3.51Å; E67-K70 WeakPolarHBondContact O-CA 3.41Å; E67-K70 PolarHBondContact O-N 2.92Å; E67-E71 PolarHBondContact O-N 3.48Å
68K97.9Very high98.1Very high90 Ų9048.8 Ų48.839%0.39123%0.233SC..Hα-helixtrans-57.4-36.2170.2-71.9179.9-174.1160.40113T62 D65 K70 E71T62-K68 HydrophobicContact CG2-CB 3.91Å; T62-K68 HydrophobicContact CG2-CD 4.33Å; D65-K68 HydrophobicContact CB-CB 4.28Å; D65-K68 HydrophobicContact CB-CD 4.03Å; D65-K68 HydrophobicContact CB-CG 4.27Å; D65-K68 PolarHBondContact OD1-N 3.02Å; D65-K68 VanDerWaalsContact OD2-CD 3.28Å; D65-K68 WeakPolarHBondContact OD2-CD 3.44Å; D65-K68 WeakPolarHBondContact OD2-CE 3.29Å; D65-K68 WeakPolarHBondContact OD2-CG 3.49Å; D65-K68 IonicContact OD2-NZ 2.69Å; D65-K68 PolarHBondContact OD2-NZ 3.31Å; K68-K70 PolarHBondContact O-N 3.39Å; K68-E71 PolarHBondContact O-N 2.79Å
69C97.3Very high98.1Very high0 Ų046.7 Ų46.70%022%0.224CC..Hα-helixtrans-68.4-16176.4-57.60000113.3Y58 M59 T62 D65 V66 E67 R77 S236Y58-C69 HydrophobicContact CD1-CB 4.13Å; Y58-C69 VanDerWaalsContact CD1-SG 3.57Å; Y58-C69 HydrophobicContact CE1-CB 4.38Å; M59-C69 HydrophobicContact SD-CB 4.31Å; M59-C69 PolarHBondContact SD-SG 2.99Å; T62-C69 PolarHBondContact OG1-SG 3.36Å; T62-C69 VanDerWaalsContact OG1-SG 3.38Å; D65-C69 PolarHBondContact O-N 3.21Å; D65-C69 PolarHBondContact O-SG 3.38Å; V66-C69 WeakPolarHBondContact O-CB 3.45Å; V66-C69 PolarHBondContact O-N 2.79Å; E67-C69 PolarHBondContact O-N 3.07Å; C69-R77 PolarHBondContact O-NE 2.88Å; C69-R77 PolarHBondContact O-NH2 2.94Å; C69-R77 VanDerWaalsContact O-NH2 3.12Å; C69-S236 PolarHBondContact O-OG 3.23Å; C69-S236 VanDerWaalsContact O-OG 3.09Å
70K97.9Very high98.1Very high92 Ų9247.7 Ų47.740%0.423%0.229SC..Hα-helixtrans-109.4-5-178.7-66.4173.3-178170.70113.6V66 E67 K68 D72V66-K70 HydrophobicContact CG1-CD 4.08Å; V66-K70 VanDerWaalsContact CG1-CE 3.5Å; V66-K70 WeakPolarHBondContact O-CG 3.1Å; V66-K70 PolarHBondContact O-N 3.44Å; E67-K70 CarbonylContact O-C 3.51Å; E67-K70 WeakPolarHBondContact O-CA 3.41Å; E67-K70 PolarHBondContact O-N 2.92Å; K68-K70 PolarHBondContact O-N 3.39Å; K70-D72 PolarHBondContact O-N 3.04Å
71E97.3Very high98.1Very high150 Ų15047.7 Ų47.770%0.70123%0.229SC*.SBendtrans-56.5-34.2178.4-79177.3-173.300112.8E67 K68E67-E71 PolarHBondContact O-N 3.48Å; K68-E71 PolarHBondContact O-N 2.79Å
72D98.2Very high98.1Very high73 Ų7345 Ų4539%0.3922%0.218SC..SBendtrans-145.9168.7175.4-157.6-5.7000111K70 N76 R77 S236K70-D72 PolarHBondContact O-N 3.04Å; D72-N76 HydrophobicContact CB-CB 4.49Å; D72-N76 PolarHBondContact OD1-ND2 3.04Å; D72-N76 WeakPolarHBondContact OD2-CB 3.45Å; D72-N76 PolarHBondContact OD2-ND2 3.25Å; D72-R77 HydrophobicContact CB-CG 4.06Å; D72-R77 WeakPolarHBondContact O-CD 3.33Å; D72-R77 PolarHBondContact O-NE 3.38Å; D72-S236 PolarHBondContact O-OG 3.34Å
73V98.4Very high98.1Very high19 Ų1944.6 Ų44.612%0.11522%0.216CC..  trans-72.1149.4177.8-62.90000111.6F75 N76 R77 S236 T241V73-F75 HydrophobicContact CB-CD1 4.21Å; V73-F75 HydrophobicContact CB-CE1 3.83Å; V73-F75 HydrophobicContact CB-CE2 4.42Å; V73-F75 HydrophobicContact CB-CZ 3.96Å; V73-F75 HydrophobicContact CG1-CE1 4.49Å; V73-F75 HydrophobicContact CG1-CZ 4.47Å; V73-F75 HydrophobicContact CG2-CD1 4.06Å; V73-F75 HydrophobicContact CG2-CD2 3.8Å; V73-F75 HydrophobicContact CG2-CE1 3.69Å; V73-F75 HydrophobicContact CG2-CE2 3.4Å; V73-F75 HydrophobicContact CG2-CG 4.13Å; V73-F75 HydrophobicContact CG2-CZ 3.36Å; V73-F75 PolarHBondContact O-N 2.92Å; V73-F75 VanDerWaalsContact O-N 3.12Å; V73-N76 HydrophobicContact CG2-CB 4.05Å; V73-N76 WeakPolarHBondContact CG2-ND2 3.28Å; V73-N76 WeakPolarHBondContact O-CB 3.48Å; V73-N76 PolarHBondContact O-N 2.93Å; V73-R77 PolarHBondContact O-N 2.89Å; V73-S236 CarbonylContact C-O 3.53Å; V73-T241 HydrophobicContact CG1-CG2 3.8Å; V73-T241 WeakPolarHBondContact CG1-OG1 3.45Å
74I98.6Very high97.9Very high4 Ų439.6 Ų39.62%0.02119%0.191CC..Hα-helixtrans-60.1-31.2-169.9-162.1173.7000113.2T51 E55 N76 R77 I78 S236 T237 Y239T51-I74 HydrophobicContact CG2-CD1 3.69Å; T51-I74 HydrophobicContact CG2-CG2 4.42Å; E55-I74 HydrophobicContact CB-CD1 4.3Å; I74-N76 VanDerWaalsContact C-N 3.28Å; I74-N76 PolarHBondContact O-N 2.98Å; I74-R77 PolarHBondContact O-N 3.24Å; I74-I78 WeakPolarHBondContact O-CA 3.46Å; I74-I78 PolarHBondContact O-N 3.23Å; I74-S236 WeakPolarHBondContact CB-O 3.36Å; I74-S236 PolarHBondContact N-O 3.18Å; I74-T237 HydrophobicContact CD1-CG2 4.44Å; I74-Y239 HydrophobicContact CG2-CE2 3.88Å
75F97.1Very high97.3Very high23 Ų2342.5 Ų42.510%0.10120%0.202CC..Hα-helixtrans-78.9-9.1178.655.6-98.4000113.9V73 M89 Q94 Y239 L242V73-F75 HydrophobicContact CB-CD1 4.21Å; V73-F75 HydrophobicContact CB-CE1 3.83Å; V73-F75 HydrophobicContact CB-CE2 4.42Å; V73-F75 HydrophobicContact CB-CZ 3.96Å; V73-F75 HydrophobicContact CG1-CE1 4.49Å; V73-F75 HydrophobicContact CG1-CZ 4.47Å; V73-F75 HydrophobicContact CG2-CD1 4.06Å; V73-F75 HydrophobicContact CG2-CD2 3.8Å; V73-F75 HydrophobicContact CG2-CE1 3.69Å; V73-F75 HydrophobicContact CG2-CE2 3.4Å; V73-F75 HydrophobicContact CG2-CG 4.13Å; V73-F75 HydrophobicContact CG2-CZ 3.36Å; V73-F75 PolarHBondContact O-N 2.92Å; V73-F75 VanDerWaalsContact O-N 3.12Å; F75-M89 HydrophobicContact CB-CE 4.17Å; F75-M89 HydrophobicContact CD2-CE 4.03Å; F75-M89 HydrophobicContact CG-CE 4.31Å; F75-Q94 PolarHBondContact O-NE2 2.82Å; F75-Y239 HydrophobicContact CB-CE1 4.14Å; F75-Y239 AromaticContact CD1-CD1 3.59Å; F75-Y239 HydrophobicContact CD1-CD1 3.59Å; F75-Y239 AromaticContact CD1-CE1 3.45Å; F75-Y239 HydrophobicContact CD1-CE1 3.45Å; F75-Y239 VanDerWaalsContact CD1-CE1 3.45Å; F75-Y239 AromaticContact CE1-CD1 3.92Å; F75-Y239 HydrophobicContact CE1-CD1 3.92Å; F75-Y239 HydrophobicContact CE1-CE1 4.25Å; F75-Y239 HydrophobicContact CG-CE1 4.17Å; F75-L242 HydrophobicContact CE1-CD2 4.14Å; F75-L242 HydrophobicContact CE1-CG 4.04Å; F75-L242 HydrophobicContact CE2-CD2 4.18Å; F75-L242 HydrophobicContact CZ-CD2 3.65Å; F75-L242 HydrophobicContact CZ-CG 4.04Å
76N97.9Very high96.5Very high54 Ų5447.1 Ų47.129%0.28922%0.222SC..Hα-helixtrans-93.7-43.6166-68.7-7000110.9D72 V73 I74 I78 M98D72-N76 HydrophobicContact CB-CB 4.49Å; D72-N76 PolarHBondContact OD1-ND2 3.04Å; D72-N76 WeakPolarHBondContact OD2-CB 3.45Å; D72-N76 PolarHBondContact OD2-ND2 3.25Å; V73-N76 HydrophobicContact CG2-CB 4.05Å; V73-N76 WeakPolarHBondContact CG2-ND2 3.28Å; V73-N76 WeakPolarHBondContact O-CB 3.48Å; V73-N76 PolarHBondContact O-N 2.93Å; I74-N76 VanDerWaalsContact C-N 3.28Å; I74-N76 PolarHBondContact O-N 2.98Å; N76-I78 VanDerWaalsContact C-N 3.32Å; N76-I78 PolarHBondContact O-N 3.13Å; N76-M98 WeakPolarHBondContact O-CE 3.46Å
77R98.4Very high95.5Very high15 Ų1553.5 Ų53.56%0.05726%0.255CS..Hα-helixtrans-63-36.5177.2-68.4-171.8-71.2114.6-8113.2E55 Y58 C69 D72 V73 I74 S236E55-R77 IonicContact OE1-NH2 2.69Å; E55-R77 IonicContact OE2-CZ 3.39Å; E55-R77 VanDerWaalsContact OE2-CZ 3.28Å; E55-R77 IonicContact OE2-NH1 3.88Å; E55-R77 PolarHBondContact OE2-NH1 3.42Å; E55-R77 IonicContact OE2-NH2 2.65Å; E55-R77 PolarHBondContact OE2-NH2 3.19Å; Y58-R77 HydrophobicContact CD2-CB 4.24Å; Y58-R77 HydrophobicContact CE2-CB 3.74Å; Y58-R77 HydrophobicContact CE2-CG 4.23Å; C69-R77 PolarHBondContact O-NE 2.88Å; C69-R77 PolarHBondContact O-NH2 2.94Å; C69-R77 VanDerWaalsContact O-NH2 3.12Å; D72-R77 HydrophobicContact CB-CG 4.06Å; D72-R77 WeakPolarHBondContact O-CD 3.33Å; D72-R77 PolarHBondContact O-NE 3.38Å; V73-R77 PolarHBondContact O-N 2.89Å; I74-R77 PolarHBondContact O-N 3.24Å; R77-S236 PolarHBondContact NE-OG 3.16Å; R77-S236 PolarHBondContact NH2-OG 3.15Å
78I98.8Very high94.5Very high3 Ų352.6 Ų52.62%0.01525%0.254CS..SBendtrans-129.887.2179.8-57.5-179.6000107.2S54 Y58 I74 N76 I103 K105S54-I78 VanDerWaalsContact O-CD1 3.3Å; S54-I78 WeakPolarHBondContact O-CD1 3.45Å; Y58-I78 HydrophobicContact CD2-CD1 4.12Å; Y58-I78 HydrophobicContact CD2-CG1 4.06Å; I74-I78 WeakPolarHBondContact O-CA 3.46Å; I74-I78 PolarHBondContact O-N 3.23Å; N76-I78 VanDerWaalsContact C-N 3.32Å; N76-I78 PolarHBondContact O-N 3.13Å; I78-I103 HydrophobicContact CD1-CB 4.36Å; I78-I103 HydrophobicContact CD1-CD1 4.35Å; I78-I103 HydrophobicContact CD1-CG2 4.02Å; I78-I103 HydrophobicContact CG1-CB 4.1Å; I78-I103 HydrophobicContact CG1-CG2 4.2Å; I78-I103 HydrophobicContact CG2-CB 4.19Å; I78-I103 HydrophobicContact CG2-CG2 3.81Å; I78-I103 WeakPolarHBondContact CG2-O 3.3Å; I78-K105 HydrophobicContact CG2-CB 3.89Å
79P98.6Very high94Very high0 Ų049.6 Ų49.60%024%0.242CC..  trans-61.1144.8-175.7-2535.3000112.1L81 Q94 L95 M98 K105P79-L81 PolarHBondContact O-N 3.29Å; P79-Q94 HydrophobicContact CB-CB 3.86Å; P79-Q94 HydrophobicContact CG-CB 3.85Å; P79-L95 HydrophobicContact CB-CD1 4.38Å; P79-L95 HydrophobicContact CB-CD2 3.88Å; P79-L95 HydrophobicContact CB-CG 3.73Å; P79-L95 HydrophobicContact CG-CD2 3.75Å; P79-L95 HydrophobicContact CG-CG 4.01Å; P79-M98 HydrophobicContact CG-CE 3.48Å; P79-M98 VanDerWaalsContact CG-CE 3.48Å; P79-M98 HydrophobicContact CG-SD 4.27Å; P79-K105 PolarHBondContact O-N 2.89Å
80F98.6Very high94Very high22 Ų2251 Ų5110%0.09625%0.249CC..BIsolated β-bridgetrans-91.397.9178.8-174.48.5000109.5F23 E82 C83 G91 K105 H107 Y168F23-F80 HydrophobicContact CE2-CE2 4.41Å; F23-F80 HydrophobicContact CE2-CZ 4.36Å; F23-F80 HydrophobicContact CZ-CE2 4.48Å; F80-E82 HydrophobicContact CE1-CG 4.19Å; F80-E82 WeakPolarHBondContact CE1-OE1 3.35Å; F80-E82 PolarHBondContact O-N 2.91Å; F80-C83 HydrophobicContact CB-CB 3.75Å; F80-C83 HydrophobicContact CD1-CB 4.24Å; F80-C83 HydrophobicContact CD2-CB 3.34Å; F80-C83 HydrophobicContact CE2-CB 3.89Å; F80-C83 HydrophobicContact CG-CB 3.52Å; F80-C83 VanDerWaalsContact O-CB 3.24Å; F80-C83 WeakPolarHBondContact O-CB 3.2Å; F80-C83 PolarHBondContact O-N 3.27Å; F80-G91 WeakPolarHBondContact O-CA 3.31Å; F80-K105 HydrophobicContact CB-CD 4.11Å; F80-K105 HydrophobicContact CD1-CD 4.08Å; F80-K105 HydrophobicContact CD1-CG 4Å; F80-K105 HydrophobicContact CG-CD 4Å; F80-K105 HydrophobicContact CG-CG 4.38Å; F80-H107 AromaticContact CE1-CD2 3.79Å; F80-H107 AromaticContact CZ-CD2 3.4Å; F80-H107 WeakPolarHBondContact CZ-CD2 3.35Å; F80-Y168 WeakPolarHBondContact CZ-OH 3.28Å
81L98.8Very high94Very high1 Ų146.6 Ų46.61%0.00523%0.23CC..THydrogen-bonded Turntrans-40.5-63.2-167.1175.264.6000114.1V30 F33 P79 C83 V92 L95 V104 K105 L108 P114 F117V30-L81 HydrophobicContact CG1-CG 4.34Å; F33-L81 HydrophobicContact CB-CD1 4.39Å; F33-L81 HydrophobicContact CD1-CD1 3.98Å; F33-L81 HydrophobicContact CD2-CD1 3.96Å; F33-L81 HydrophobicContact CE1-CD1 4.26Å; F33-L81 HydrophobicContact CE2-CD1 4.24Å; F33-L81 HydrophobicContact CG-CD1 3.81Å; F33-L81 HydrophobicContact CZ-CD1 4.36Å; P79-L81 PolarHBondContact O-N 3.29Å; L81-C83 VanDerWaalsContact C-N 3.26Å; L81-C83 PolarHBondContact O-N 3.46Å; L81-V92 HydrophobicContact CD1-CG2 4.44Å; L81-V92 PolarHBondContact O-N 3.25Å; L81-L95 HydrophobicContact CB-CD1 4.33Å; L81-L95 HydrophobicContact CD1-CD1 3.71Å; L81-V104 HydrophobicContact CB-CG1 3.79Å; L81-V104 HydrophobicContact CD1-CG1 4.41Å; L81-V104 HydrophobicContact CD2-CG1 4.26Å; L81-V104 HydrophobicContact CG-CG1 4.38Å; L81-K105 WeakPolarHBondContact CB-O 3.44Å; L81-K105 PolarHBondContact N-O 3.05Å; L81-L108 HydrophobicContact CD2-CD1 4.48Å; L81-P114 HydrophobicContact CD2-CG 4.02Å; L81-F117 HydrophobicContact CD2-CE2 3.78Å; L81-F117 HydrophobicContact CD2-CZ 4.36Å
82E98.6Very high94.1Very high2 Ų240.1 Ų40.11%0.00920%0.201CC..THydrogen-bonded Turntrans-83.60.3-17471.2-86.9-160.400113.9M19 F23 W27 V30 F80 R84 T106 H107 L108 Y168M19-E82 HydrophobicContact CE-CG 4.4Å; F23-E82 WeakPolarHBondContact CB-O 3.49Å; F23-E82 HydrophobicContact CD2-CG 4.09Å; F23-E82 WeakPolarHBondContact CD2-O 3.16Å; F23-E82 HydrophobicContact CE2-CG 4.49Å; F23-E82 WeakPolarHBondContact CG-O 3.48Å; W27-E82 HydrophobicContact CZ3-CB 4.08Å; V30-E82 HydrophobicContact CG1-CB 4.1Å; V30-E82 HydrophobicContact CG2-CB 4.06Å; F80-E82 HydrophobicContact CE1-CG 4.19Å; F80-E82 WeakPolarHBondContact CE1-OE1 3.35Å; F80-E82 PolarHBondContact O-N 2.91Å; E82-R84 PolarHBondContact O-N 3.21Å; E82-T106 PolarHBondContact OE1-OG1 2.83Å; E82-T106 WeakPolarHBondContact OE2-CA 3.31Å; E82-T106 WeakPolarHBondContact OE2-CB 3.5Å; E82-T106 PolarHBondContact OE2-OG1 2.68Å; E82-H107 PolarHBondContact OE1-N 2.7Å; E82-L108 HydrophobicContact CB-CD1 4.35Å; E82-L108 HydrophobicContact CG-CD2 4.23Å; E82-L108 HydrophobicContact CG-CG 4.3Å; E82-Y168 HydrophobicContact CG-CE1 4.31Å; E82-Y168 WeakPolarHBondContact OE1-CE1 3.44Å; E82-Y168 PolarHBondContact OE1-OH 2.67Å
83C97.4Very high94.1Very high11 Ų1141.9 Ų41.97%0.07421%0.205CC..  trans-79.3121.9-177.7-173.90000110.8F23 F80 L81 G91F23-C83 HydrophobicContact CE1-CB 4.19Å; F23-C83 HydrophobicContact CE2-CB 4.41Å; F23-C83 HydrophobicContact CZ-CB 3.93Å; F80-C83 HydrophobicContact CB-CB 3.75Å; F80-C83 HydrophobicContact CD1-CB 4.24Å; F80-C83 HydrophobicContact CD2-CB 3.34Å; F80-C83 HydrophobicContact CE2-CB 3.89Å; F80-C83 HydrophobicContact CG-CB 3.52Å; F80-C83 VanDerWaalsContact O-CB 3.24Å; F80-C83 WeakPolarHBondContact O-CB 3.2Å; F80-C83 PolarHBondContact O-N 3.27Å; L81-C83 VanDerWaalsContact C-N 3.26Å; L81-C83 PolarHBondContact O-N 3.46Å; C83-G91 PolarHBondContact O-N 2.98Å
84R93.4Very high94.1Very high46 Ų4643.1 Ų43.117%0.17421%0.209CC..EExtended strand (participates in β ladder)trans-135.8129.9168.7-167.8145.6172.6-175.1-0110.9D22 F23 Y26 D29 E82 M89D22-R84 WeakPolarHBondContact CB-O 3.22Å; F23-R84 WeakPolarHBondContact CD1-O 3.3Å; F23-R84 WeakPolarHBondContact CE1-O 3.47Å; Y26-R84 HydrophobicContact CD2-CB 4.02Å; Y26-R84 VanDerWaalsContact CD2-CD 3.41Å; Y26-R84 HydrophobicContact CD2-CG 3.56Å; Y26-R84 HydrophobicContact CE2-CG 3.93Å; Y26-R84 VanDerWaalsContact CG-CD 3.43Å; Y26-R84 HydrophobicContact CG-CG 4.12Å; D29-R84 IonicContact OD2-CZ 3.14Å; D29-R84 IonicContact OD2-NH1 3.85Å; D29-R84 PolarHBondContact OD2-NH1 3.06Å; E82-R84 PolarHBondContact O-N 3.21Å; R84-M89 CarbonylContact C-O 3.57Å; R84-M89 VanDerWaalsContact CA-O 3.29Å; R84-M89 WeakPolarHBondContact CA-O 3.32Å
85K86.6Confident94.1Very high64 Ų6442.9 Ų42.928%0.27821%0.208SC..EExtended strand (participates in β ladder)trans-14190.4172.8-172.1174-176.4175.40108.6D87 L88 M89K85-D87 PolarHBondContact O-N 3.2Å; K85-L88 WeakPolarHBondContact O-CB 3.48Å; K85-L88 PolarHBondContact O-N 3.44Å; K85-M89 HydrophobicContact CB-CB 4.48Å; K85-M89 PolarHBondContact N-O 3.23Å; K85-M89 PolarHBondContact O-N 2.97Å
86E80.6Confident94.1Very high156 Ų15645.8 Ų45.873%0.72923%0.225SC*.THydrogen-bonded Turntrans45.5-128.5-174.3-59.9-176.316300110.9
87D76.2Confident94.2Very high170 Ų17049.6 Ų49.691%0.90924%0.241SC*.THydrogen-bonded Turntrans-91.4-3.9176.9-65.7-36000113.4K85K85-D87 PolarHBondContact O-N 3.2Å
88L78.9Confident94.2Very high110 Ų11051 Ų5158%0.57625%0.249SC*.THydrogen-bonded Turntrans-78.2-39.5-175.2-171.875.2000112.6K85 I246K85-L88 WeakPolarHBondContact O-CB 3.48Å; K85-L88 PolarHBondContact O-N 3.44Å; L88-I246 HydrophobicContact CD2-CD1 3.06Å; L88-I246 HydrophobicContact CD2-CG1 4.46Å
89M86.6Confident94.1Very high27 Ų2757.7 Ų57.713%0.13328%0.284CS..EExtended strand (participates in β ladder)trans-138.5129.7177.4-63.1-169.574.800109.4F75 R84 K85F75-M89 HydrophobicContact CB-CE 4.17Å; F75-M89 HydrophobicContact CD2-CE 4.03Å; F75-M89 HydrophobicContact CG-CE 4.31Å; R84-M89 CarbonylContact C-O 3.57Å; R84-M89 VanDerWaalsContact CA-O 3.29Å; R84-M89 WeakPolarHBondContact CA-O 3.32Å; K85-M89 HydrophobicContact CB-CB 4.48Å; K85-M89 PolarHBondContact N-O 3.23Å; K85-M89 PolarHBondContact O-N 2.97Å
90N96.9Very high94.1Very high28 Ų2860.1 Ų60.115%0.1530%0.302CS..EExtended strand (participates in β ladder)trans-148.391.6176.4-176.1-19000109.3V92 K93 Q94N90-V92 PolarHBondContact O-N 2.85Å; N90-V92 PolarHBondContact OD1-N 3.41Å; N90-K93 HydrophobicContact CB-CB 4.02Å; N90-K93 VanDerWaalsContact CG-CB 3.44Å; N90-K93 PolarHBondContact O-N 2.88Å; N90-K93 PolarHBondContact OD1-N 2.97Å; N90-K93 VanDerWaalsContact OD1-N 3.09Å; N90-Q94 WeakPolarHBondContact O-CB 3.28Å; N90-Q94 VanDerWaalsContact O-CG 3.27Å; N90-Q94 WeakPolarHBondContact O-CG 3.48Å; N90-Q94 PolarHBondContact O-N 3.25Å; N90-Q94 PolarHBondContact O-OE1 3.25Å
91G98.3Very high94.1Very high1 Ų162.2 Ų62.21%0.0132%0.317CS..Hα-helixtrans-58.5-43-174.900000113.7F80 C83 Q94 L95F80-G91 WeakPolarHBondContact O-CA 3.31Å; C83-G91 PolarHBondContact O-N 2.98Å; G91-Q94 PolarHBondContact O-N 3.08Å; G91-L95 WeakPolarHBondContact O-CB 3.42Å; G91-L95 WeakPolarHBondContact O-CD1 3.35Å; G91-L95 VanDerWaalsContact O-CG 3.23Å; G91-L95 WeakPolarHBondContact O-CG 3.4Å; G91-L95 PolarHBondContact O-N 2.88Å
92V98.6Very high94.1Very high14 Ų1462.2 Ų62.29%0.08532%0.317CS..Hα-helixtrans-59.8-53.3177.4170.10000110.7D29 V30 F33 L81 N90 Q94 L95 D96D29-V92 HydrophobicContact CB-CG1 4.32Å; D29-V92 HydrophobicContact CB-CG2 4.36Å; V30-V92 HydrophobicContact CG2-CG2 4.12Å; F33-V92 HydrophobicContact CD2-CG1 4.08Å; F33-V92 HydrophobicContact CD2-CG2 4.27Å; L81-V92 HydrophobicContact CD1-CG2 4.44Å; L81-V92 PolarHBondContact O-N 3.25Å; N90-V92 PolarHBondContact O-N 2.85Å; N90-V92 PolarHBondContact OD1-N 3.41Å; V92-Q94 VanDerWaalsContact C-N 3.34Å; V92-Q94 PolarHBondContact O-N 3.01Å; V92-L95 PolarHBondContact O-N 2.88Å; V92-L95 VanDerWaalsContact O-N 3.1Å; V92-D96 PolarHBondContact O-N 3.04Å
93K98.1Very high94.1Very high110 Ų11062.5 Ų62.548%0.47832%0.318SS..Hα-helixtrans-58.3-46178.7-179-177.6174.7-173.80111.9N90 L95 D96 E97N90-K93 HydrophobicContact CB-CB 4.02Å; N90-K93 VanDerWaalsContact CG-CB 3.44Å; N90-K93 PolarHBondContact O-N 2.88Å; N90-K93 PolarHBondContact OD1-N 2.97Å; N90-K93 VanDerWaalsContact OD1-N 3.09Å; K93-L95 VanDerWaalsContact C-N 3.27Å; K93-L95 PolarHBondContact O-N 2.74Å; K93-D96 PolarHBondContact O-N 3.13Å; K93-E97 WeakPolarHBondContact CE-OE1 3.5Å; K93-E97 IonicContact NZ-OE1 2.74Å; K93-E97 WeakPolarHBondContact O-CG 3.47Å; K93-E97 PolarHBondContact O-N 3.16Å; K93-E97 VanDerWaalsContact O-N 3.09Å
94Q98.4Very high94.2Very high44 Ų4462 Ų6221%0.20632%0.315CS..Hα-helixtrans-58.4-41.2177.7-72.1173.9-92.100111.5F75 P79 N90 G91 V92 M98F75-Q94 PolarHBondContact O-NE2 2.82Å; P79-Q94 HydrophobicContact CB-CB 3.86Å; P79-Q94 HydrophobicContact CG-CB 3.85Å; N90-Q94 WeakPolarHBondContact O-CB 3.28Å; N90-Q94 VanDerWaalsContact O-CG 3.27Å; N90-Q94 WeakPolarHBondContact O-CG 3.48Å; N90-Q94 PolarHBondContact O-N 3.25Å; N90-Q94 PolarHBondContact O-OE1 3.25Å; G91-Q94 PolarHBondContact O-N 3.08Å; V92-Q94 VanDerWaalsContact C-N 3.34Å; V92-Q94 PolarHBondContact O-N 3.01Å; Q94-M98 WeakPolarHBondContact O-CB 3.25Å; Q94-M98 PolarHBondContact O-N 2.9Å; Q94-M98 VanDerWaalsContact O-N 3.08Å
95L98.8Very high94.5Very high0 Ų061 Ų610%031%0.312CS..Hα-helixtrans-71.3-37.6178.4-72.2166.4000112.8F33 P79 L81 G91 V92 K93 E97 M98 R102 V104F33-L95 HydrophobicContact CE2-CB 3.63Å; F33-L95 HydrophobicContact CE2-CD1 3.95Å; F33-L95 HydrophobicContact CE2-CG 4.43Å; F33-L95 HydrophobicContact CZ-CB 3.74Å; F33-L95 HydrophobicContact CZ-CD1 3.81Å; F33-L95 HydrophobicContact CZ-CG 4.33Å; P79-L95 HydrophobicContact CB-CD1 4.38Å; P79-L95 HydrophobicContact CB-CD2 3.88Å; P79-L95 HydrophobicContact CB-CG 3.73Å; P79-L95 HydrophobicContact CG-CD2 3.75Å; P79-L95 HydrophobicContact CG-CG 4.01Å; L81-L95 HydrophobicContact CB-CD1 4.33Å; L81-L95 HydrophobicContact CD1-CD1 3.71Å; G91-L95 WeakPolarHBondContact O-CB 3.42Å; G91-L95 WeakPolarHBondContact O-CD1 3.35Å; G91-L95 VanDerWaalsContact O-CG 3.23Å; G91-L95 WeakPolarHBondContact O-CG 3.4Å; G91-L95 PolarHBondContact O-N 2.88Å; V92-L95 PolarHBondContact O-N 2.88Å; V92-L95 VanDerWaalsContact O-N 3.1Å; K93-L95 VanDerWaalsContact C-N 3.27Å; K93-L95 PolarHBondContact O-N 2.74Å; L95-E97 VanDerWaalsContact C-N 3.33Å; L95-M98 PolarHBondContact O-N 3.31Å; L95-R102 HydrophobicContact CD2-CB 4.35Å; L95-R102 WeakPolarHBondContact O-CD 3.46Å; L95-R102 PolarHBondContact O-NH1 2.76Å; L95-V104 HydrophobicContact CD1-CG1 3.93Å; L95-V104 HydrophobicContact CD1-CG2 4.28Å; L95-V104 HydrophobicContact CD2-CG2 3.86Å
96D98.4Very high95.1Very high83 Ų8357.9 Ų57.944%0.44430%0.299SS..Hα-helixtrans-63.5-41.7178.4-71.7-21000111.3R36 V92 K93R36-D96 PolarHBondContact NH2-O 3.3Å; V92-D96 PolarHBondContact O-N 3.04Å; K93-D96 PolarHBondContact O-N 3.13Å
97E98.3Very high95.9Very high134 Ų13451.3 Ų51.363%0.62627%0.268SS*.Hα-helixtrans-77.7-19.4178.4-66.1172.717600113.1K93 L95K93-E97 WeakPolarHBondContact CE-OE1 3.5Å; K93-E97 IonicContact NZ-OE1 2.74Å; K93-E97 WeakPolarHBondContact O-CG 3.47Å; K93-E97 PolarHBondContact O-N 3.16Å; K93-E97 VanDerWaalsContact O-N 3.09Å; L95-E97 VanDerWaalsContact C-N 3.33Å
98M98.6Very high97Very high46 Ų4643.2 Ų43.223%0.22722%0.224CC..SBendtrans-75.3134-177.7-177173.6-71.700112.2R36 N76 P79 Q94 L95 R102R36-M98 VanDerWaalsContact CZ-O 3.28Å; R36-M98 PolarHBondContact NH1-O 3.23Å; R36-M98 PolarHBondContact NH2-O 3.41Å; N76-M98 WeakPolarHBondContact O-CE 3.46Å; P79-M98 HydrophobicContact CG-CE 3.48Å; P79-M98 VanDerWaalsContact CG-CE 3.48Å; P79-M98 HydrophobicContact CG-SD 4.27Å; Q94-M98 WeakPolarHBondContact O-CB 3.25Å; Q94-M98 PolarHBondContact O-N 2.9Å; Q94-M98 VanDerWaalsContact O-N 3.08Å; L95-M98 PolarHBondContact O-N 3.31Å; M98-R102 HydrophobicContact CB-CG 4.35Å; M98-R102 HydrophobicContact CG-CG 4.07Å; M98-R102 HydrophobicContact SD-CB 4.25Å; M98-R102 HydrophobicContact SD-CG 4.25Å
99N98.6Very high98Very high142 Ų14238.4 Ų38.476%0.75920%0.2SC*.PPolyproline II helixtrans-67.7148.1172.5-69.2-40.9000111.6
100S98.6Very high98.5Very high52 Ų5237.3 Ų37.336%0.36420%0.195SC..SBendtrans-71.3152.4171.3-88.80000111.7R36 D38R36-S100 WeakPolarHBondContact CD-OG 3.47Å; R36-S100 VanDerWaalsContact NH1-N 3.14Å; R36-S100 PolarHBondContact NH1-OG 2.78Å; R36-S100 VanDerWaalsContact NH1-OG 3.15Å; D38-S100 PolarHBondContact OD1-OG 2.96Å; D38-S100 VanDerWaalsContact OD1-OG 3.05Å; D38-S100 WeakPolarHBondContact OD2-CB 3.36Å; D38-S100 PolarHBondContact OD2-OG 3.43Å
101P98.1Very high98.6Very high65 Ų6541.8 Ų41.842%0.42222%0.215SC..SBendcis-80.6136.6-2.933-35.5000112.3D38 Y61D38-P101 WeakPolarHBondContact OD2-CA 3.46Å; Y61-P101 HydrophobicContact CD1-CG 3.87Å; Y61-P101 HydrophobicContact CE1-CB 3.84Å; Y61-P101 HydrophobicContact CE1-CG 3.59Å
102R98.8Very high98.6Very high2 Ų242.8 Ų42.81%0.00822%0.22CC..PPolyproline II helixtrans-94.2143.1-178.7-49.8-179.1-69.3-173.24.4111.2Q34 D39 L40 L95 M98Q34-R102 PolarHBondContact O-NH2 2.82Å; D39-R102 WeakPolarHBondContact OD1-CB 3.28Å; D39-R102 IonicContact OD1-CZ 3.96Å; D39-R102 IonicContact OD1-NE 2.74Å; D39-R102 PolarHBondContact OD1-NE 2.94Å; D39-R102 IonicContact OD1-NH2 2.68Å; D39-R102 PolarHBondContact OD1-NH2 3.14Å; D39-R102 IonicContact OD2-CZ 3.55Å; D39-R102 IonicContact OD2-NE 3.28Å; D39-R102 IonicContact OD2-NH2 3.64Å; D39-R102 PolarHBondContact OD2-NH2 2.89Å; L40-R102 PolarHBondContact N-O 2.94Å; L95-R102 HydrophobicContact CD2-CB 4.35Å; L95-R102 WeakPolarHBondContact O-CD 3.46Å; L95-R102 PolarHBondContact O-NH1 2.76Å; M98-R102 HydrophobicContact CB-CG 4.35Å; M98-R102 HydrophobicContact CG-CG 4.07Å; M98-R102 HydrophobicContact SD-CB 4.25Å; M98-R102 HydrophobicContact SD-CG 4.25Å
103I98.9Very high98.6Very high7 Ų742.4 Ų42.44%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-106.8124.2165.6-50.9179.9000107.5L40 I42 A57 Y58 Y61 I78L40-I103 HydrophobicContact CD2-CG1 4.38Å; L40-I103 HydrophobicContact CD2-CG2 4.24Å; L40-I103 HydrophobicContact CG-CG2 4.46Å; L40-I103 CarbonylContact O-C 3.59Å; L40-I103 WeakPolarHBondContact O-CA 3.35Å; I42-I103 HydrophobicContact CD1-CG2 3.6Å; I42-I103 HydrophobicContact CG1-CG2 3.99Å; A57-I103 HydrophobicContact CB-CD1 4.44Å; Y58-I103 HydrophobicContact CD2-CD1 4.2Å; Y61-I103 HydrophobicContact CD1-CD1 4.47Å; Y61-I103 HydrophobicContact CD2-CD1 3.95Å; Y61-I103 HydrophobicContact CE2-CD1 4.23Å; Y61-I103 HydrophobicContact CG-CD1 4.06Å; I78-I103 HydrophobicContact CD1-CB 4.36Å; I78-I103 HydrophobicContact CD1-CD1 4.35Å; I78-I103 HydrophobicContact CD1-CG2 4.02Å; I78-I103 HydrophobicContact CG1-CB 4.1Å; I78-I103 HydrophobicContact CG1-CG2 4.2Å; I78-I103 HydrophobicContact CG2-CB 4.19Å; I78-I103 HydrophobicContact CG2-CG2 3.81Å; I78-I103 WeakPolarHBondContact CG2-O 3.3Å
104V98.9Very high98.6Very high0 Ų037.4 Ų37.40%020%0.196CC..EExtended strand (participates in β ladder)trans-110.4121.4-173.4-176.40000109.1L40 V41 I42 L81 L95 F117L40-V104 PolarHBondContact O-N 3.43Å; V41-V104 CarbonylContact C-O 3.5Å; V41-V104 HydrophobicContact CG2-CB 4.5Å; I42-V104 PolarHBondContact N-O 2.78Å; L81-V104 HydrophobicContact CB-CG1 3.79Å; L81-V104 HydrophobicContact CD1-CG1 4.41Å; L81-V104 HydrophobicContact CD2-CG1 4.26Å; L81-V104 HydrophobicContact CG-CG1 4.38Å; L95-V104 HydrophobicContact CD1-CG1 3.93Å; L95-V104 HydrophobicContact CD1-CG2 4.28Å; L95-V104 HydrophobicContact CD2-CG2 3.86Å; V104-F117 HydrophobicContact CB-CZ 4.38Å; V104-F117 HydrophobicContact CG1-CZ 3.95Å; V104-F117 HydrophobicContact CG2-CE1 4.07Å; V104-F117 HydrophobicContact CG2-CZ 4.08Å
105K98.9Very high98.6Very high25 Ų2537.9 Ų37.911%0.10921%0.207CC..EExtended strand (participates in β ladder)trans-89.6137.8169.9169-171.8167.5-162.80109.6T50 I78 P79 F80 L81T50-K105 HydrophobicContact CG2-CD 4.12Å; T50-K105 HydrophobicContact CG2-CG 3.91Å; I78-K105 HydrophobicContact CG2-CB 3.89Å; P79-K105 PolarHBondContact O-N 2.89Å; F80-K105 HydrophobicContact CB-CD 4.11Å; F80-K105 HydrophobicContact CD1-CD 4.08Å; F80-K105 HydrophobicContact CD1-CG 4Å; F80-K105 HydrophobicContact CG-CD 4Å; F80-K105 HydrophobicContact CG-CG 4.38Å; L81-K105 WeakPolarHBondContact CB-O 3.44Å; L81-K105 PolarHBondContact N-O 3.05Å
106T98.9Very high98.7Very high0 Ų038.2 Ų38.20%021%0.21CC..EExtended strand (participates in β ladder)trans-148.9156.9168.8-172.40000112.6V41 I42 A43 T44 E82 L108 L113V41-T106 HydrophobicContact CG1-CG2 3.74Å; I42-T106 PolarHBondContact O-N 3.19Å; A43-T106 WeakPolarHBondContact CA-O 3.3Å; A43-T106 HydrophobicContact CB-CG2 3.91Å; T44-T106 PolarHBondContact N-O 2.76Å; E82-T106 PolarHBondContact OE1-OG1 2.83Å; E82-T106 WeakPolarHBondContact OE2-CA 3.31Å; E82-T106 WeakPolarHBondContact OE2-CB 3.5Å; E82-T106 PolarHBondContact OE2-OG1 2.68Å; T106-L108 VanDerWaalsContact OG1-CG 3.29Å; T106-L108 WeakPolarHBondContact OG1-CG 3.43Å; T106-L108 PolarHBondContact OG1-N 3.45Å; T106-L108 VanDerWaalsContact OG1-N 3.16Å; T106-L113 HydrophobicContact CG2-CD1 3.93Å
107H98.9Very high98.7Very high17 Ų1734.3 Ų34.38%0.07919%0.189CC..  trans-113.911.3169.9-68.6-42.6000113.2T44 P46 T50 F80 E82 Y168 H174T44-H107 VanDerWaalsContact O-CA 3.23Å; T44-H107 WeakPolarHBondContact O-CA 3.43Å; T44-H107 PolarHBondContact O-ND1 2.68Å; T44-H107 PolarHBondContact OG1-CE1 2.89Å; T44-H107 PolarHBondContact OG1-ND1 2.91Å; P46-H107 HydrophobicContact CG-CB 4.27Å; T50-H107 PolarHBondContact OG1-CE1 3.19Å; F80-H107 AromaticContact CE1-CD2 3.79Å; F80-H107 AromaticContact CZ-CD2 3.4Å; F80-H107 WeakPolarHBondContact CZ-CD2 3.35Å; E82-H107 PolarHBondContact OE1-N 2.7Å; H107-Y168 HydrophobicContact CB-CD1 3.6Å; H107-Y168 HydrophobicContact CB-CD2 3.92Å; H107-Y168 HydrophobicContact CB-CE1 3.36Å; H107-Y168 HydrophobicContact CB-CE2 3.65Å; H107-Y168 HydrophobicContact CB-CG 3.86Å; H107-Y168 WeakPolarHBondContact O-CD1 3.23Å; H107-H174 PolarHBondContact O-NE2 3.47Å
108L98.9Very high98.7Very high0 Ų031.9 Ų31.90%017%0.174CC..  trans-70.2142.4-177.7-63.9172.4000112.2M19 W27 V30 L81 E82 T106 L112 Y168 H174 W178M19-L108 HydrophobicContact CE-CD2 3.94Å; W27-L108 HydrophobicContact CH2-CD1 3.7Å; W27-L108 HydrophobicContact CH2-CD2 3.53Å; W27-L108 HydrophobicContact CH2-CG 4.26Å; W27-L108 HydrophobicContact CZ3-CD1 4.3Å; W27-L108 HydrophobicContact CZ3-CD2 3.91Å; V30-L108 HydrophobicContact CG1-CD1 4.27Å; L81-L108 HydrophobicContact CD2-CD1 4.48Å; E82-L108 HydrophobicContact CB-CD1 4.35Å; E82-L108 HydrophobicContact CG-CD2 4.23Å; E82-L108 HydrophobicContact CG-CG 4.3Å; T106-L108 VanDerWaalsContact OG1-CG 3.29Å; T106-L108 WeakPolarHBondContact OG1-CG 3.43Å; T106-L108 PolarHBondContact OG1-N 3.45Å; T106-L108 VanDerWaalsContact OG1-N 3.16Å; L108-L112 HydrophobicContact CB-CB 4.3Å; L108-L112 HydrophobicContact CD2-CB 4.2Å; L108-Y168 HydrophobicContact CD2-CD1 4.48Å; L108-Y168 HydrophobicContact CD2-CE1 4.16Å; L108-H174 PolarHBondContact O-NE2 2.95Å; L108-W178 PolarHBondContact O-NE1 2.84Å
109P98.7Very high98.7Very high9 Ų936.4 Ų36.46%0.05820%0.195CC..  trans-62.7155.1162.430.9-35.4000109.3V17 E111 L112 L113V17-P109 HydrophobicContact CG2-CG 4.32Å; P109-E111 PolarHBondContact O-N 3.18Å; P109-E111 VanDerWaalsContact O-N 3.09Å; P109-L112 HydrophobicContact CG-CB 4.08Å; P109-L112 HydrophobicContact CG-CD1 3.88Å; P109-L112 HydrophobicContact CG-CG 3.88Å; P109-L112 PolarHBondContact O-N 3.32Å; P109-L113 PolarHBondContact O-N 3.33Å
110P98.4Very high98.7Very high4 Ų434 Ų343%0.02618%0.177CC..THydrogen-bonded Turntrans-64.5-22.3-172.328.8-34.5000112.5L112 W118 W178 K181P110-L112 VanDerWaalsContact C-N 3.28Å; P110-L112 PolarHBondContact O-N 3.33Å; P110-W118 HydrophobicContact CB-CH2 4.1Å; P110-W118 HydrophobicContact CB-CZ2 3.82Å; P110-W118 WeakPolarHBondContact O-CZ2 3.39Å; P110-W178 HydrophobicContact CB-CD2 4.01Å; P110-W178 HydrophobicContact CB-CE3 4.2Å; P110-W178 HydrophobicContact CB-CH2 4.16Å; P110-W178 HydrophobicContact CB-CZ2 3.96Å; P110-W178 HydrophobicContact CB-CZ3 4.27Å; P110-W178 HydrophobicContact CG-CD2 4.17Å; P110-W178 HydrophobicContact CG-CG 4.25Å; P110-K181 HydrophobicContact CB-CG 4.33Å
111E98.1Very high98.6Very high123 Ų12335.9 Ų35.958%0.57518%0.183SC*.THydrogen-bonded Turntrans-70-21.7174.8-60.182.6-178.700113.5P109 S177P109-E111 PolarHBondContact O-N 3.18Å; P109-E111 VanDerWaalsContact O-N 3.09Å; E111-S177 WeakPolarHBondContact OE1-CB 3.39Å; E111-S177 PolarHBondContact OE1-OG 2.77Å
112L98.7Very high98.7Very high21 Ų2133 Ų3311%0.1117%0.165CC..THydrogen-bonded Turntrans-105.5-4.1177.7-63.3-175000113.3H15 V17 W27 L108 P109 P110H15-L112 HydrophobicContact CB-CD2 3.88Å; V17-L112 HydrophobicContact CB-CD1 4Å; V17-L112 HydrophobicContact CG1-CD1 4.47Å; V17-L112 HydrophobicContact CG2-CD1 3.84Å; W27-L112 HydrophobicContact CH2-CB 4.35Å; W27-L112 HydrophobicContact CZ2-CB 4.28Å; L108-L112 HydrophobicContact CB-CB 4.3Å; L108-L112 HydrophobicContact CD2-CB 4.2Å; P109-L112 HydrophobicContact CG-CB 4.08Å; P109-L112 HydrophobicContact CG-CD1 3.88Å; P109-L112 HydrophobicContact CG-CG 3.88Å; P109-L112 PolarHBondContact O-N 3.32Å; P110-L112 VanDerWaalsContact C-N 3.28Å; P110-L112 PolarHBondContact O-N 3.33Å
113L98.8Very high98.7Very high7 Ų734.1 Ų34.14%0.03717%0.17CC..SBendtrans-64.6132.1175.2-171.373.8000109.5V41 T106 P109 A115 F117 W118 I124 W178V41-L113 HydrophobicContact CG1-CD1 4.32Å; T106-L113 HydrophobicContact CG2-CD1 3.93Å; P109-L113 PolarHBondContact O-N 3.33Å; L113-A115 PolarHBondContact O-N 3.2Å; L113-F117 HydrophobicContact CD1-CD2 4.01Å; L113-F117 HydrophobicContact CD1-CE2 4.39Å; L113-F117 HydrophobicContact CD2-CB 3.94Å; L113-F117 HydrophobicContact CD2-CD2 4.37Å; L113-F117 HydrophobicContact CD2-CG 4.38Å; L113-F117 HydrophobicContact CG-CB 4.3Å; L113-F117 HydrophobicContact CG-CD2 3.93Å; L113-F117 HydrophobicContact CG-CG 4.43Å; L113-W118 HydrophobicContact CB-CZ2 3.99Å; L113-W118 HydrophobicContact CD2-CD2 4.42Å; L113-W118 HydrophobicContact CD2-CH2 4.05Å; L113-W118 HydrophobicContact CD2-CZ2 3.5Å; L113-W118 VanDerWaalsContact CD2-CZ2 3.5Å; L113-W118 HydrophobicContact CG-CZ2 4.36Å; L113-W118 PolarHBondContact O-NE1 3.39Å; L113-I124 HydrophobicContact CD2-CD1 3.95Å; L113-W178 HydrophobicContact CD2-CH2 4.13Å
114P98.8Very high98.7Very high4 Ų433.9 Ų33.93%0.02617%0.168CC..  trans-52.4135-176.6-29.936.9000112.8V30 F33 L81 S116 F117V30-P114 HydrophobicContact CG1-CG 4.09Å; V30-P114 WeakPolarHBondContact O-CB 3.31Å; V30-P114 WeakPolarHBondContact O-CG 3.43Å; F33-P114 HydrophobicContact CB-CB 4.24Å; F33-P114 HydrophobicContact CB-CG 4.22Å; L81-P114 HydrophobicContact CD2-CG 4.02Å; P114-S116 PolarHBondContact O-N 2.95Å; P114-F117 HydrophobicContact CB-CD2 4Å; P114-F117 HydrophobicContact CB-CE2 4.23Å; P114-F117 HydrophobicContact CG-CD2 4.2Å; P114-F117 HydrophobicContact CG-CE2 4.09Å; P114-F117 PolarHBondContact O-N 2.84Å
115A98.7Very high98.7Very high54 Ų5433.9 Ų33.945%0.44617%0.168SC..Hα-helixtrans-52.3-36.6-173.900000112.6L113 F117 W118 E119L113-A115 PolarHBondContact O-N 3.2Å; A115-F117 VanDerWaalsContact C-N 3.27Å; A115-F117 PolarHBondContact O-N 3.34Å; A115-W118 WeakPolarHBondContact O-CA 3.47Å; A115-W118 WeakPolarHBondContact O-CB 3.3Å; A115-W118 PolarHBondContact O-N 2.78Å; A115-E119 WeakPolarHBondContact O-CG 3.39Å; A115-E119 PolarHBondContact O-N 3.05Å
116S98.8Very high98.7Very high7 Ų732.7 Ų32.75%0.04916%0.163CC..Hα-helixtrans-54.3-37.8-179.8-160.60000113.2F33 A35 P114 W118 E119 K120F33-S116 WeakPolarHBondContact O-CB 3.49Å; A35-S116 PolarHBondContact N-OG 2.99Å; P114-S116 PolarHBondContact O-N 2.95Å; S116-W118 VanDerWaalsContact C-N 3.29Å; S116-W118 PolarHBondContact O-N 2.96Å; S116-E119 PolarHBondContact O-N 3.02Å; S116-K120 WeakPolarHBondContact O-CB 3.22Å; S116-K120 VanDerWaalsContact O-CG 3.26Å; S116-K120 WeakPolarHBondContact O-CG 3.44Å; S116-K120 PolarHBondContact O-N 3.15Å
117F98.8Very high98.7Very high1 Ų132.7 Ų32.70%0.00416%0.163CC..Hα-helixtrans-63-37.4177.3-72.6-68.7000112.4F33 A35 D39 V41 L81 V104 L113 P114 A115 N121 C122F33-F117 AromaticContact CD1-CE2 3.64Å; F33-F117 HydrophobicContact CD1-CE2 3.64Å; F33-F117 AromaticContact CD1-CZ 3.64Å; F33-F117 HydrophobicContact CD1-CZ 3.64Å; F33-F117 HydrophobicContact CE1-CE1 4.07Å; F33-F117 AromaticContact CE1-CE2 3.88Å; F33-F117 HydrophobicContact CE1-CE2 3.88Å; F33-F117 AromaticContact CE1-CZ 3.34Å; F33-F117 HydrophobicContact CE1-CZ 3.34Å; F33-F117 HydrophobicContact CZ-CZ 4.43Å; A35-F117 HydrophobicContact CB-CB 4.45Å; A35-F117 HydrophobicContact CB-CD1 3.51Å; A35-F117 HydrophobicContact CB-CE1 3.77Å; A35-F117 HydrophobicContact CB-CG 3.92Å; A35-F117 HydrophobicContact CB-CZ 4.39Å; D39-F117 HydrophobicContact CB-CE1 4.16Å; V41-F117 HydrophobicContact CG2-CD1 3.4Å; V41-F117 HydrophobicContact CG2-CE1 3.54Å; V41-F117 HydrophobicContact CG2-CG 3.98Å; V41-F117 HydrophobicContact CG2-CZ 4.21Å; L81-F117 HydrophobicContact CD2-CE2 3.78Å; L81-F117 HydrophobicContact CD2-CZ 4.36Å; V104-F117 HydrophobicContact CB-CZ 4.38Å; V104-F117 HydrophobicContact CG1-CZ 3.95Å; V104-F117 HydrophobicContact CG2-CE1 4.07Å; V104-F117 HydrophobicContact CG2-CZ 4.08Å; L113-F117 HydrophobicContact CD1-CD2 4.01Å; L113-F117 HydrophobicContact CD1-CE2 4.39Å; L113-F117 HydrophobicContact CD2-CB 3.94Å; L113-F117 HydrophobicContact CD2-CD2 4.37Å; L113-F117 HydrophobicContact CD2-CG 4.38Å; L113-F117 HydrophobicContact CG-CB 4.3Å; L113-F117 HydrophobicContact CG-CD2 3.93Å; L113-F117 HydrophobicContact CG-CG 4.43Å; P114-F117 HydrophobicContact CB-CD2 4Å; P114-F117 HydrophobicContact CB-CE2 4.23Å; P114-F117 HydrophobicContact CG-CD2 4.2Å; P114-F117 HydrophobicContact CG-CE2 4.09Å; P114-F117 PolarHBondContact O-N 2.84Å; A115-F117 VanDerWaalsContact C-N 3.27Å; A115-F117 PolarHBondContact O-N 3.34Å; F117-N121 PolarHBondContact O-N 3.44Å; F117-C122 HydrophobicContact CD1-CB 4.11Å; F117-C122 PolarHBondContact O-N 3.48Å
118W98.4Very high98.7Very high83 Ų8331.9 Ų31.931%0.31416%0.159SC..Hα-helixtrans-72.5-44.1176.3-54.4114.4000111.2P110 L113 A115 S116 K120 N121 I124 W178 I187P110-W118 HydrophobicContact CB-CH2 4.1Å; P110-W118 HydrophobicContact CB-CZ2 3.82Å; P110-W118 WeakPolarHBondContact O-CZ2 3.39Å; L113-W118 HydrophobicContact CB-CZ2 3.99Å; L113-W118 HydrophobicContact CD2-CD2 4.42Å; L113-W118 HydrophobicContact CD2-CH2 4.05Å; L113-W118 HydrophobicContact CD2-CZ2 3.5Å; L113-W118 VanDerWaalsContact CD2-CZ2 3.5Å; L113-W118 HydrophobicContact CG-CZ2 4.36Å; L113-W118 PolarHBondContact O-NE1 3.39Å; A115-W118 WeakPolarHBondContact O-CA 3.47Å; A115-W118 WeakPolarHBondContact O-CB 3.3Å; A115-W118 PolarHBondContact O-N 2.78Å; S116-W118 VanDerWaalsContact C-N 3.29Å; S116-W118 PolarHBondContact O-N 2.96Å; W118-K120 PolarHBondContact O-N 3.31Å; W118-N121 PolarHBondContact O-N 3.37Å; W118-I124 HydrophobicContact CE3-CD1 4.37Å; W118-I124 HydrophobicContact CH2-CD1 3.78Å; W118-I124 HydrophobicContact CZ3-CD1 3.64Å; W118-W178 AromaticContact CH2-CH2 4Å; W118-W178 HydrophobicContact CH2-CH2 4Å; W118-W178 AromaticContact CH2-CZ3 3.88Å; W118-W178 HydrophobicContact CH2-CZ3 3.88Å; W118-W178 HydrophobicContact CZ2-CH2 4.34Å; W118-I187 HydrophobicContact CH2-CD1 4.48Å; W118-I187 HydrophobicContact CZ3-CD1 4.07Å
119E98.5Very high98.7Very high142 Ų14232.7 Ų32.766%0.66416%0.162SC*.Hα-helixtrans-61.9-40178.5-68.9173.2-179.200112.7A115 S116 N121A115-E119 WeakPolarHBondContact O-CG 3.39Å; A115-E119 PolarHBondContact O-N 3.05Å; S116-E119 PolarHBondContact O-N 3.02Å; E119-N121 PolarHBondContact O-N 3.39Å
120K98.6Very high98.7Very high91 Ų9132.3 Ų32.340%0.39616%0.16SC..THydrogen-bonded Turntrans-81.1-2.3175.6-58.8-52.6179.9-166.80113.2A35 P37 S116 W118 C122A35-K120 HydrophobicContact CB-CG 4.18Å; P37-K120 HydrophobicContact CG-CD 4.42Å; S116-K120 WeakPolarHBondContact O-CB 3.22Å; S116-K120 VanDerWaalsContact O-CG 3.26Å; S116-K120 WeakPolarHBondContact O-CG 3.44Å; S116-K120 PolarHBondContact O-N 3.15Å; W118-K120 PolarHBondContact O-N 3.31Å; K120-C122 VanDerWaalsContact C-N 3.26Å; K120-C122 PolarHBondContact O-N 2.91Å
121N97.9Very high98.7Very high92 Ų9232.2 Ų32.249%0.49216%0.159SC..THydrogen-bonded Turntrans52.942.3-179.2-166.533.5000112.4F117 W118 E119 R186F117-N121 PolarHBondContact O-N 3.44Å; W118-N121 PolarHBondContact O-N 3.37Å; E119-N121 PolarHBondContact O-N 3.39Å; N121-R186 PolarHBondContact O-NE 2.74Å; N121-R186 PolarHBondContact O-NH2 3.11Å
122C98.7Very high98.8Very high4 Ų426.8 Ų26.83%0.02713%0.134CC..  trans-58.8153-177.4-63.20000111.8R36 D39 F117 K120R36-C122 PolarHBondContact O-SG 3.3Å; D39-C122 WeakPolarHBondContact O-CB 3.31Å; F117-C122 HydrophobicContact CD1-CB 4.11Å; F117-C122 PolarHBondContact O-N 3.48Å; K120-C122 VanDerWaalsContact C-N 3.26Å; K120-C122 PolarHBondContact O-N 2.91Å
123K98.8Very high98.8Very high26 Ų2625.9 Ų25.911%0.11313%0.129CC..EExtended strand (participates in β ladder)trans-72.4142.5170.7-72.9-170.8-178.9176.70109.1L40 V41 R186 F209 E211L40-K123 HydrophobicContact CD1-CB 3.82Å; V41-K123 PolarHBondContact N-O 2.95Å; K123-R186 WeakPolarHBondContact CA-O 3.07Å; K123-F209 HydrophobicContact CB-CE1 4.08Å; K123-F209 HydrophobicContact CB-CZ 4.04Å; K123-F209 HydrophobicContact CD-CE1 4.12Å; K123-F209 HydrophobicContact CD-CZ 4.21Å; K123-F209 HydrophobicContact CG-CE1 4.45Å; K123-F209 HydrophobicContact CG-CZ 4.22Å; K123-F209 PolarHBondContact NZ-O 3.41Å; K123-E211 WeakPolarHBondContact CE-OE1 3.46Å; K123-E211 IonicContact NZ-OE1 3.5Å; K123-E211 PolarHBondContact NZ-OE1 3.1Å
124I98.9Very high98.8Very high2 Ų225.6 Ų25.61%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-130.1130.7176.8-48.4-175.9000109.4V41 A43 L113 W118 W178 R186 I187 L188V41-I124 HydrophobicContact CB-CB 4.38Å; V41-I124 HydrophobicContact CB-CG1 4.07Å; V41-I124 HydrophobicContact CB-CG2 4.11Å; V41-I124 HydrophobicContact CG1-CG2 4.27Å; V41-I124 HydrophobicContact CG2-CG1 4.43Å; V41-I124 CarbonylContact O-C 3.29Å; V41-I124 VanDerWaalsContact O-CA 3.31Å; V41-I124 WeakPolarHBondContact O-CA 3.49Å; A43-I124 HydrophobicContact CB-CG2 4.25Å; L113-I124 HydrophobicContact CD2-CD1 3.95Å; W118-I124 HydrophobicContact CE3-CD1 4.37Å; W118-I124 HydrophobicContact CH2-CD1 3.78Å; W118-I124 HydrophobicContact CZ3-CD1 3.64Å; I124-W178 HydrophobicContact CD1-CH2 3.99Å; I124-W178 HydrophobicContact CD1-CZ3 3.95Å; I124-W178 HydrophobicContact CG2-CH2 3.88Å; I124-W178 HydrophobicContact CG2-CZ3 3.73Å; I124-R186 PolarHBondContact N-O 3.24Å; I124-I187 HydrophobicContact CB-CG1 4.16Å; I124-I187 HydrophobicContact CB-CG2 4.47Å; I124-I187 HydrophobicContact CD1-CD1 4.43Å; I124-I187 HydrophobicContact CD1-CG1 4.46Å; I124-I187 HydrophobicContact CG1-CG1 4.48Å; I124-I187 CarbonylContact O-C 3.57Å; I124-I187 VanDerWaalsContact O-CA 3.28Å; I124-I187 WeakPolarHBondContact O-CA 3.37Å; I124-L188 PolarHBondContact O-N 3.23Å
125I98.9Very high98.8Very high0 Ų025.4 Ų25.40%013%0.126CC..EExtended strand (participates in β ladder)trans-102.7120.6163.8-63.4161.4000106.7L40 V41 I42 A43 V53 L188 L190 L206 F209 L210L40-I125 HydrophobicContact CD1-CD1 3.97Å; L40-I125 HydrophobicContact CD1-CG1 4.13Å; L40-I125 HydrophobicContact CD2-CD1 4.11Å; L40-I125 HydrophobicContact CG-CD1 4.46Å; V41-I125 PolarHBondContact O-N 2.74Å; I42-I125 WeakPolarHBondContact CA-O 3.41Å; A43-I125 PolarHBondContact N-O 2.92Å; V53-I125 HydrophobicContact CG2-CG2 3.9Å; I125-L188 WeakPolarHBondContact CA-O 3.44Å; I125-L188 HydrophobicContact CG1-CB 4.39Å; I125-L188 HydrophobicContact CG1-CD2 4.45Å; I125-L190 HydrophobicContact CG2-CD1 3.87Å; I125-L206 HydrophobicContact CD1-CD2 3.48Å; I125-L206 VanDerWaalsContact CD1-CD2 3.48Å; I125-L206 HydrophobicContact CG1-CD2 4.05Å; I125-L206 HydrophobicContact CG2-CD2 4.25Å; I125-F209 HydrophobicContact CD1-CD1 4.46Å; I125-F209 HydrophobicContact CD1-CE1 4.48Å; I125-F209 HydrophobicContact CG1-CD1 4.03Å; I125-F209 HydrophobicContact CG1-CE1 3.74Å; I125-L210 HydrophobicContact CD1-CD2 4.41Å
126Y98.9Very high98.8Very high0 Ų022.8 Ų22.80%011%0.105CC..EExtended strand (participates in β ladder)trans-105.9119.7170.9-175.1-98.7000110.1A43 H174 V175 W178 L188 F189 L190A43-Y126 HydrophobicContact CB-CD2 3.94Å; A43-Y126 VanDerWaalsContact O-CA 3.3Å; A43-Y126 WeakPolarHBondContact O-CA 3.39Å; A43-Y126 VanDerWaalsContact O-CD2 3.22Å; A43-Y126 WeakPolarHBondContact O-CD2 3.41Å; Y126-H174 AromaticContact CE2-CE1 3.7Å; Y126-H174 AromaticContact CE2-ND1 3.83Å; Y126-H174 AromaticContact CZ-ND1 3.8Å; Y126-H174 PolarHBondContact OH-ND1 3.12Å; Y126-V175 WeakPolarHBondContact OH-CG1 3.35Å; Y126-W178 HydrophobicContact CD1-CB 3.88Å; Y126-W178 HydrophobicContact CD1-CG 4.34Å; Y126-W178 HydrophobicContact CD2-CB 3.77Å; Y126-W178 AromaticContact CD2-CD1 3.55Å; Y126-W178 AromaticContact CD2-CD2 3.47Å; Y126-W178 HydrophobicContact CD2-CD2 3.47Å; Y126-W178 VanDerWaalsContact CD2-CD2 3.47Å; Y126-W178 AromaticContact CD2-CE2 3.82Å; Y126-W178 HydrophobicContact CD2-CE3 4.09Å; Y126-W178 AromaticContact CD2-CG 3.31Å; Y126-W178 HydrophobicContact CD2-CG 3.31Å; Y126-W178 AromaticContact CD2-NE1 3.8Å; Y126-W178 HydrophobicContact CE1-CB 3.74Å; Y126-W178 HydrophobicContact CE1-CG 4.23Å; Y126-W178 HydrophobicContact CE2-CB 3.7Å; Y126-W178 AromaticContact CE2-CD1 3.02Å; Y126-W178 AromaticContact CE2-CD2 3.84Å; Y126-W178 HydrophobicContact CE2-CD2 3.84Å; Y126-W178 AromaticContact CE2-CG 3.23Å; Y126-W178 HydrophobicContact CE2-CG 3.23Å; Y126-W178 AromaticContact CE2-NE1 3.49Å; Y126-W178 HydrophobicContact CG-CB 3.85Å; Y126-W178 HydrophobicContact CG-CD2 4.1Å; Y126-W178 HydrophobicContact CG-CE3 4.38Å; Y126-W178 AromaticContact CG-CG 3.89Å; Y126-W178 HydrophobicContact CG-CG 3.89Å; Y126-W178 AromaticContact CZ-CD1 3.57Å; Y126-W178 AromaticContact CZ-CG 3.7Å; Y126-L188 PolarHBondContact N-O 2.93Å; Y126-F189 HydrophobicContact CD1-CD1 4.45Å; Y126-F189 AromaticContact CD1-CD2 3.41Å; Y126-F189 HydrophobicContact CD1-CD2 3.41Å; Y126-F189 VanDerWaalsContact CD1-CD2 3.41Å; Y126-F189 HydrophobicContact CD1-CE1 4.24Å; Y126-F189 AromaticContact CD1-CE2 3.14Å; Y126-F189 HydrophobicContact CD1-CE2 3.14Å; Y126-F189 HydrophobicContact CD1-CG 4.08Å; Y126-F189 AromaticContact CD1-CZ 3.61Å; Y126-F189 HydrophobicContact CD1-CZ 3.61Å; Y126-F189 HydrophobicContact CE1-CD2 4.13Å; Y126-F189 HydrophobicContact CE1-CE1 4.43Å; Y126-F189 AromaticContact CE1-CE2 3.37Å; Y126-F189 HydrophobicContact CE1-CE2 3.37Å; Y126-F189 AromaticContact CE1-CZ 3.55Å; Y126-F189 HydrophobicContact CE1-CZ 3.55Å; Y126-F189 HydrophobicContact CG-CD2 4.19Å; Y126-F189 HydrophobicContact CG-CE2 4.21Å; Y126-F189 CarbonylContact O-C 3.58Å; Y126-F189 WeakPolarHBondContact O-CA 3.31Å; Y126-L190 PolarHBondContact O-N 3.45Å
127L98.9Very high98.8Very high0 Ų023.4 Ų23.40%011%0.109CC..EExtended strand (participates in β ladder)trans-107.5123.9173.8178.571.2000110.6A43 T44 S48 G49 V53 L190 L195A43-L127 PolarHBondContact O-N 2.87Å; A43-L127 VanDerWaalsContact O-N 3.14Å; T44-L127 HydrophobicContact CG2-CB 3.71Å; T44-L127 WeakPolarHBondContact CG2-O 3.31Å; S48-L127 VanDerWaalsContact O-CD2 3.25Å; S48-L127 WeakPolarHBondContact O-CD2 3.26Å; G49-L127 WeakPolarHBondContact O-CD2 3.29Å; V53-L127 HydrophobicContact CB-CD2 4.04Å; V53-L127 HydrophobicContact CG1-CB 4.16Å; V53-L127 HydrophobicContact CG1-CD2 3.77Å; L127-L190 HydrophobicContact CD1-CB 3.68Å; L127-L195 HydrophobicContact CD1-CD1 3.99Å
128S98.8Very high98.8Very high0 Ų023.4 Ų23.40%011%0.109CC..EExtended strand (participates in β ladder)trans-107.7161.8176.373.40000111.4F189 L190 F191 Y192 F290S128-F189 VanDerWaalsContact OG-CE1 3.3Å; S128-F189 WeakPolarHBondContact OG-CE1 3.49Å; S128-L190 PolarHBondContact N-O 3.48Å; S128-L190 PolarHBondContact OG-O 2.95Å; S128-F191 CarbonylContact O-C 3.59Å; S128-F191 WeakPolarHBondContact OG-CD1 3.48Å; S128-Y192 WeakPolarHBondContact O-CB 3.31Å; S128-Y192 PolarHBondContact O-N 2.84Å; S128-F290 WeakPolarHBondContact OG-CE1 3.24Å
129R98.9Very high98.8Very high17 Ų1721.1 Ų21.16%0.06410%0.101CC..  trans-150.1150.8175.6-176.3175.6-171.7-169.94.2109.2K47 V134 W171 Y192 E193 I259K47-R129 PolarHBondContact O-NH1 3.46Å; R129-V134 HydrophobicContact CB-CG2 3.73Å; R129-V134 HydrophobicContact CG-CG2 3.99Å; R129-W171 VanDerWaalsContact O-CZ2 3.31Å; R129-W171 WeakPolarHBondContact O-CZ2 3.36Å; R129-W171 PolarHBondContact O-NE1 3.14Å; R129-Y192 HydrophobicContact CB-CG 4.38Å; R129-Y192 HydrophobicContact CG-CD1 4Å; R129-Y192 HydrophobicContact CG-CG 3.94Å; R129-E193 WeakPolarHBondContact CG-OE1 3.15Å; R129-I259 PolarHBondContact NH2-O 2.92Å
130N98.9Very high98.8Very high1 Ų117.5 Ų17.51%0.0058%0.081CC..  trans-55.4140.2178.880.483.8000112.4K132 D133 V134 E193 F290 R291 T292N130-K132 VanDerWaalsContact C-N 3.29Å; N130-K132 PolarHBondContact O-N 2.95Å; N130-K132 PolarHBondContact OD1-N 3.07Å; N130-D133 PolarHBondContact ND2-OD2 2.89Å; N130-D133 PolarHBondContact O-N 3.4Å; N130-D133 PolarHBondContact OD1-N 2.99Å; N130-V134 WeakPolarHBondContact O-CG2 3.4Å; N130-V134 PolarHBondContact O-N 3.1Å; N130-V134 VanDerWaalsContact O-N 3.09Å; N130-E193 WeakPolarHBondContact CB-OE1 3.49Å; N130-E193 PolarHBondContact N-OE1 2.91Å; N130-E193 PolarHBondContact ND2-OE1 3.49Å; N130-F290 HydrophobicContact CB-CB 4.26Å; N130-F290 HydrophobicContact CB-CD1 4.45Å; N130-R291 VanDerWaalsContact CB-O 3.28Å; N130-R291 WeakPolarHBondContact CB-O 3.26Å; N130-T292 HydrophobicContact CB-CG2 4.23Å
131A98.9Very high98.8Very high2 Ų214.6 Ų14.62%0.0177%0.069CC..Hα-helixtrans-62.4-33.3-169.100000113.8V134 A135 F161 W171 F275 Y279A131-V134 PolarHBondContact O-N 3.5Å; A131-A135 WeakPolarHBondContact O-CB 3.32Å; A131-A135 PolarHBondContact O-N 3.47Å; A131-F161 HydrophobicContact CB-CE1 4.19Å; A131-F161 HydrophobicContact CB-CZ 4.36Å; A131-W171 HydrophobicContact CB-CD2 3.7Å; A131-W171 HydrophobicContact CB-CE3 3.63Å; A131-W171 HydrophobicContact CB-CG 4.49Å; A131-W171 HydrophobicContact CB-CH2 3.78Å; A131-W171 HydrophobicContact CB-CZ2 3.79Å; A131-W171 HydrophobicContact CB-CZ3 3.69Å; A131-F275 HydrophobicContact CB-CE1 4.15Å; A131-F275 HydrophobicContact CB-CZ 3.71Å; A131-Y279 HydrophobicContact CB-CD2 4.3Å; A131-Y279 HydrophobicContact CB-CE2 4.12Å
132K98.9Very high98.8Very high9 Ų910.6 Ų10.64%0.0395%0.047CC..Hα-helixtrans-70-46.1-177.3-62.2-177.1-177.6172.10111.6N130 V134 A135 V136 W263 F267 N272 F275 D276N130-K132 VanDerWaalsContact C-N 3.29Å; N130-K132 PolarHBondContact O-N 2.95Å; N130-K132 PolarHBondContact OD1-N 3.07Å; K132-V134 VanDerWaalsContact C-N 3.31Å; K132-V134 PolarHBondContact O-N 3.43Å; K132-A135 PolarHBondContact O-N 2.97Å; K132-V136 PolarHBondContact O-N 3.15Å; K132-W263 HydrophobicContact CB-CB 3.48Å; K132-W263 VanDerWaalsContact CB-CB 3.48Å; K132-W263 HydrophobicContact CB-CD2 4.23Å; K132-W263 HydrophobicContact CB-CG 3.66Å; K132-W263 HydrophobicContact CD-CB 4.46Å; K132-W263 HydrophobicContact CD-CD2 3.66Å; K132-W263 HydrophobicContact CD-CE3 3.69Å; K132-W263 HydrophobicContact CD-CG 4.02Å; K132-W263 HydrophobicContact CD-CZ3 4.19Å; K132-F267 HydrophobicContact CB-CE2 3.89Å; K132-F267 HydrophobicContact CB-CZ 4.05Å; K132-F267 HydrophobicContact CG-CE1 4.5Å; K132-F267 HydrophobicContact CG-CE2 4.37Å; K132-F267 HydrophobicContact CG-CZ 4.12Å; K132-N272 WeakPolarHBondContact CE-OD1 3.47Å; K132-N272 PolarHBondContact NZ-OD1 3.41Å; K132-F275 HydrophobicContact CD-CD1 4.3Å; K132-F275 HydrophobicContact CD-CE1 4.47Å; K132-F275 HydrophobicContact CG-CD1 3.79Å; K132-F275 HydrophobicContact CG-CE1 3.55Å; K132-F275 HydrophobicContact CG-CZ 4.16Å; K132-D276 WeakPolarHBondContact CE-OD1 3.45Å; K132-D276 IonicContact NZ-OD1 2.58Å; K132-D276 PolarHBondContact NZ-OD1 3.21Å; K132-D276 IonicContact NZ-OD2 3.82Å; K132-D276 PolarHBondContact NZ-OD2 2.93Å
133D98.9Very high98.8Very high2 Ų213.5 Ų13.51%0.0116%0.062CC..Hα-helixtrans-68.2-33.1175.2-76.7-31.1000112.3N130 S137 T260 G261 D262 W263N130-D133 PolarHBondContact ND2-OD2 2.89Å; N130-D133 PolarHBondContact O-N 3.4Å; N130-D133 PolarHBondContact OD1-N 2.99Å; D133-S137 WeakPolarHBondContact O-CB 3.17Å; D133-S137 PolarHBondContact O-N 2.65Å; D133-T260 WeakPolarHBondContact OD2-CA 3.4Å; D133-G261 PolarHBondContact OD1-N 2.89Å; D133-G261 PolarHBondContact OD2-N 3.34Å; D133-D262 PolarHBondContact OD1-N 3.09Å; D133-W263 PolarHBondContact OD1-N 3.24Å
134V98.9Very high98.7Very high0 Ų012.6 Ų12.60%06%0.058CC..Hα-helixtrans-59.5-50.7170.6168.20000110.1Y45 R129 N130 A131 K132 V136 S137 F138 F161Y45-V134 HydrophobicContact CD1-CG1 3.66Å; Y45-V134 HydrophobicContact CE1-CG1 3.77Å; R129-V134 HydrophobicContact CB-CG2 3.73Å; R129-V134 HydrophobicContact CG-CG2 3.99Å; N130-V134 WeakPolarHBondContact O-CG2 3.4Å; N130-V134 PolarHBondContact O-N 3.1Å; N130-V134 VanDerWaalsContact O-N 3.09Å; A131-V134 PolarHBondContact O-N 3.5Å; K132-V134 VanDerWaalsContact C-N 3.31Å; K132-V134 PolarHBondContact O-N 3.43Å; V134-V136 PolarHBondContact O-N 3.24Å; V134-S137 PolarHBondContact O-N 2.98Å; V134-S137 VanDerWaalsContact O-N 3.13Å; V134-F138 VanDerWaalsContact O-CB 3.31Å; V134-F138 WeakPolarHBondContact O-CB 3.28Å; V134-F138 PolarHBondContact O-N 3.42Å; V134-F161 HydrophobicContact CG1-CE2 3.88Å; V134-F161 HydrophobicContact CG1-CZ 4.11Å
135A98.9Very high98.5Very high0 Ų013.5 Ų13.50%06%0.064CC..Hα-helixtrans-58.2-44.8179.500000112.1A131 K132 S137 F138 Y139 F157 F161A131-A135 WeakPolarHBondContact O-CB 3.32Å; A131-A135 PolarHBondContact O-N 3.47Å; K132-A135 PolarHBondContact O-N 2.97Å; A135-S137 PolarHBondContact O-N 3.42Å; A135-F138 PolarHBondContact O-N 3.4Å; A135-Y139 WeakPolarHBondContact O-CB 3.37Å; A135-Y139 PolarHBondContact O-N 2.89Å; A135-F157 WeakPolarHBondContact O-CE1 3.3Å; A135-F161 HydrophobicContact CB-CD1 4.08Å; A135-F161 HydrophobicContact CB-CD2 4.28Å; A135-F161 HydrophobicContact CB-CE1 4.21Å; A135-F161 HydrophobicContact CB-CE2 4.4Å; A135-F161 HydrophobicContact CB-CG 4.11Å; A135-F161 HydrophobicContact CB-CZ 4.36Å
136V98.9Very high98.1Very high0 Ų015.6 Ų15.60%08%0.081CC..Hα-helixtrans-58.6-50.2173.6173.80000111.1K132 V134 F138 Y139 Y140 F154 W263 H266 F267K132-V136 PolarHBondContact O-N 3.15Å; V134-V136 PolarHBondContact O-N 3.24Å; V136-F138 PolarHBondContact O-N 2.86Å; V136-Y139 PolarHBondContact O-N 3.28Å; V136-Y140 HydrophobicContact CG1-CD2 4.23Å; V136-Y140 HydrophobicContact CG1-CE2 4.09Å; V136-Y140 VanDerWaalsContact O-CD2 3.32Å; V136-Y140 WeakPolarHBondContact O-CD2 3.32Å; V136-Y140 PolarHBondContact O-N 3.17Å; V136-F154 HydrophobicContact CB-CE2 4.5Å; V136-F154 HydrophobicContact CG2-CE2 3.99Å; V136-F154 HydrophobicContact CG2-CZ 3.63Å; V136-W263 HydrophobicContact CG2-CB 4.32Å; V136-H266 HydrophobicContact CG2-CB 3.81Å; V136-F267 HydrophobicContact CG2-CD2 4.48Å; V136-F267 HydrophobicContact CG2-CE2 4.1Å
137S98.9Very high97.6Very high20 Ų2017 Ų1714%0.1410%0.095CC..Hα-helixtrans-67.2-27.9-177.7-170.10000113K47 D133 V134 A135 F141K47-S137 WeakPolarHBondContact CE-OG 3.22Å; D133-S137 WeakPolarHBondContact O-CB 3.17Å; D133-S137 PolarHBondContact O-N 2.65Å; V134-S137 PolarHBondContact O-N 2.98Å; V134-S137 VanDerWaalsContact O-N 3.13Å; A135-S137 PolarHBondContact O-N 3.42Å; S137-F141 PolarHBondContact O-N 3.49Å
138F98.8Very high97.3Very high0 Ų017.8 Ų17.80%010%0.099CC..Hα-helixtrans-79-36.9179-153175.2000111.2Y45 P46 K47 V134 A135 V136 Y140 F141 F142 F157 V166 P167Y45-F138 HydrophobicContact CE1-CD1 4.05Å; Y45-F138 AromaticContact CE1-CE1 3.97Å; Y45-F138 HydrophobicContact CE1-CE1 3.97Å; P46-F138 HydrophobicContact CB-CD1 4.48Å; P46-F138 HydrophobicContact CB-CE1 4.02Å; P46-F138 HydrophobicContact CB-CE2 4.21Å; P46-F138 HydrophobicContact CB-CZ 3.86Å; P46-F138 HydrophobicContact CG-CE1 4.24Å; P46-F138 HydrophobicContact CG-CZ 4.05Å; K47-F138 HydrophobicContact CG-CB 3.96Å; K47-F138 HydrophobicContact CG-CD2 4.1Å; K47-F138 HydrophobicContact CG-CG 4.09Å; V134-F138 VanDerWaalsContact O-CB 3.31Å; V134-F138 WeakPolarHBondContact O-CB 3.28Å; V134-F138 PolarHBondContact O-N 3.42Å; A135-F138 PolarHBondContact O-N 3.4Å; V136-F138 PolarHBondContact O-N 2.86Å; F138-Y140 PolarHBondContact O-N 3.43Å; F138-F141 HydrophobicContact CD2-CB 4.2Å; F138-F141 HydrophobicContact CD2-CD1 4.14Å; F138-F141 HydrophobicContact CE2-CD1 4.05Å; F138-F141 WeakPolarHBondContact O-CA 3.31Å; F138-F141 VanDerWaalsContact O-CB 3.31Å; F138-F141 WeakPolarHBondContact O-CB 3.37Å; F138-F141 PolarHBondContact O-N 3.37Å; F138-F142 AromaticContact CD2-CD2 3.69Å; F138-F142 HydrophobicContact CD2-CD2 3.69Å; F138-F142 AromaticContact CD2-CE2 3.66Å; F138-F142 HydrophobicContact CD2-CE2 3.66Å; F138-F142 AromaticContact CE2-CD2 3.83Å; F138-F142 HydrophobicContact CE2-CD2 3.83Å; F138-F142 AromaticContact CE2-CE2 3.43Å; F138-F142 HydrophobicContact CE2-CE2 3.43Å; F138-F142 VanDerWaalsContact CE2-CE2 3.43Å; F138-F142 HydrophobicContact CG-CD2 4.47Å; F138-F142 HydrophobicContact CG-CE2 4.33Å; F138-F142 AromaticContact CZ-CE2 3.9Å; F138-F142 HydrophobicContact CZ-CE2 3.9Å; F138-F142 WeakPolarHBondContact O-CD2 3.4Å; F138-F142 PolarHBondContact O-N 3.33Å; F138-F157 HydrophobicContact CB-CE1 4.12Å; F138-F157 HydrophobicContact CB-CZ 3.84Å; F138-F157 HydrophobicContact CD1-CZ 4.29Å; F138-F157 AromaticContact CG-CZ 3.98Å; F138-F157 HydrophobicContact CG-CZ 3.98Å; F138-V166 HydrophobicContact CE1-CB 4.16Å; F138-V166 HydrophobicContact CE1-CG2 4.08Å; F138-P167 HydrophobicContact CZ-CB 4.29Å; F138-P167 HydrophobicContact CZ-CG 4.48Å
139Y98.9Very high97.1Very high36 Ų3618 Ų1814%0.14110%0.101CC..Hα-helixtrans-54-50.9171.7179.4-106.9000112.2A135 V136 F141 F142 L143 P151 G152 F154 F157A135-Y139 WeakPolarHBondContact O-CB 3.37Å; A135-Y139 PolarHBondContact O-N 2.89Å; V136-Y139 PolarHBondContact O-N 3.28Å; Y139-F141 VanDerWaalsContact C-N 3.26Å; Y139-F141 PolarHBondContact O-N 3.06Å; Y139-F142 WeakPolarHBondContact O-CB 2.91Å; Y139-F142 PolarHBondContact O-N 2.86Å; Y139-L143 HydrophobicContact CD1-CD1 4.11Å; Y139-L143 HydrophobicContact CE1-CD1 3.64Å; Y139-L143 HydrophobicContact CE1-CG 4.42Å; Y139-L143 PolarHBondContact O-N 2.97Å; Y139-P151 HydrophobicContact CD2-CB 3.87Å; Y139-P151 HydrophobicContact CD2-CG 4.03Å; Y139-P151 HydrophobicContact CE2-CB 3.81Å; Y139-P151 HydrophobicContact CE2-CG 3.7Å; Y139-G152 VanDerWaalsContact CE2-O 3.3Å; Y139-G152 WeakPolarHBondContact CE2-O 3.42Å; Y139-G152 PolarHBondContact OH-O 2.64Å; Y139-F154 AromaticContact CD1-CD2 3.98Å; Y139-F154 HydrophobicContact CD1-CD2 3.98Å; Y139-F154 HydrophobicContact CD2-CD2 4.09Å; Y139-F154 HydrophobicContact CE1-CB 4.42Å; Y139-F154 HydrophobicContact CE2-CB 4.43Å; Y139-F154 AromaticContact CG-CD2 3.71Å; Y139-F154 HydrophobicContact CG-CD2 3.71Å; Y139-F154 HydrophobicContact CG-CE2 4.41Å; Y139-F157 HydrophobicContact CD2-CB 3.61Å; Y139-F157 HydrophobicContact CD2-CD1 4.02Å; Y139-F157 HydrophobicContact CD2-CD2 4.24Å; Y139-F157 AromaticContact CD2-CG 3.68Å; Y139-F157 HydrophobicContact CD2-CG 3.68Å; Y139-F157 HydrophobicContact CE2-CB 4.1Å; Y139-F157 HydrophobicContact CG-CD1 4.41Å; Y139-F157 HydrophobicContact CG-CG 4.49Å
140Y98.8Very high96.8Very high65 Ų6522.9 Ų22.926%0.25513%0.128SC..Hα-helixtrans-65.9-28.8176.5-76.1-73.7000113.5V136 F138 L143 M144 H266V136-Y140 HydrophobicContact CG1-CD2 4.23Å; V136-Y140 HydrophobicContact CG1-CE2 4.09Å; V136-Y140 VanDerWaalsContact O-CD2 3.32Å; V136-Y140 WeakPolarHBondContact O-CD2 3.32Å; V136-Y140 PolarHBondContact O-N 3.17Å; F138-Y140 PolarHBondContact O-N 3.43Å; Y140-L143 HydrophobicContact CD1-CD1 4.11Å; Y140-L143 HydrophobicContact CE1-CD1 4.47Å; Y140-L143 PolarHBondContact O-N 2.83Å; Y140-M144 WeakPolarHBondContact O-CG 3.43Å; Y140-M144 PolarHBondContact O-N 3.41Å; Y140-H266 AromaticContact CE2-NE2 3.45Å; Y140-H266 WeakPolarHBondContact CE2-NE2 3.37Å; Y140-H266 AromaticContact CZ-NE2 3.85Å; Y140-H266 PolarHBondContact OH-NE2 3.15Å
141F98.6Very high96.6Very high31 Ų3123.1 Ų23.114%0.13613%0.129CC..Hα-helixtrans-67.6-41.2175-168.1-107.3000111.5K47 S137 F138 Y139 L143 M144 V145 H148 M247 F254K47-F141 HydrophobicContact CD-CB 3.95Å; K47-F141 HydrophobicContact CD-CD1 4.27Å; K47-F141 HydrophobicContact CD-CD2 3.91Å; K47-F141 HydrophobicContact CD-CE2 4.44Å; K47-F141 HydrophobicContact CD-CG 3.8Å; S137-F141 PolarHBondContact O-N 3.49Å; F138-F141 HydrophobicContact CD2-CB 4.2Å; F138-F141 HydrophobicContact CD2-CD1 4.14Å; F138-F141 HydrophobicContact CE2-CD1 4.05Å; F138-F141 WeakPolarHBondContact O-CA 3.31Å; F138-F141 VanDerWaalsContact O-CB 3.31Å; F138-F141 WeakPolarHBondContact O-CB 3.37Å; F138-F141 PolarHBondContact O-N 3.37Å; Y139-F141 VanDerWaalsContact C-N 3.26Å; Y139-F141 PolarHBondContact O-N 3.06Å; F141-L143 VanDerWaalsContact C-N 3.29Å; F141-L143 PolarHBondContact O-N 3.3Å; F141-M144 HydrophobicContact CD2-CE 3.57Å; F141-M144 HydrophobicContact CE2-CE 4.09Å; F141-M144 PolarHBondContact O-N 3.2Å; F141-V145 HydrophobicContact CD1-CB 4.47Å; F141-V145 HydrophobicContact CD1-CG2 4.32Å; F141-V145 HydrophobicContact CD2-CG2 3.6Å; F141-V145 HydrophobicContact CE1-CB 4.28Å; F141-V145 HydrophobicContact CE1-CG1 4.29Å; F141-V145 HydrophobicContact CE1-CG2 4.14Å; F141-V145 HydrophobicContact CE2-CB 4.39Å; F141-V145 HydrophobicContact CE2-CG2 3.4Å; F141-V145 VanDerWaalsContact CE2-CG2 3.4Å; F141-V145 HydrophobicContact CG-CG2 4.08Å; F141-V145 HydrophobicContact CZ-CB 4.23Å; F141-V145 HydrophobicContact CZ-CG1 4.14Å; F141-V145 HydrophobicContact CZ-CG2 3.68Å; F141-V145 WeakPolarHBondContact O-CB 3.26Å; F141-V145 PolarHBondContact O-N 3.47Å; F141-H148 AromaticContact CD1-CE1 3.49Å; F141-H148 VanDerWaalsContact CD1-CE1 3.49Å; F141-H148 WeakPolarHBondContact CD1-CE1 3.33Å; F141-H148 AromaticContact CD1-NE2 3.66Å; F141-H148 AromaticContact CE1-CE1 3.41Å; F141-H148 VanDerWaalsContact CE1-CE1 3.41Å; F141-H148 WeakPolarHBondContact CE1-CE1 3.42Å; F141-H148 AromaticContact CE1-NE2 3.82Å; F141-M247 HydrophobicContact CE2-CE 3.88Å; F141-F254 HydrophobicContact CE2-CD2 4.44Å; F141-F254 HydrophobicContact CE2-CE2 4.22Å
142F98.1Very high96.5Very high7 Ų724.2 Ų24.23%0.03114%0.141CC..Hα-helixtrans-59.7-38.8172.3-92-115.5000112.2Y7 F11 F138 Y139 M144 H148 P149 P151 F157 V166 P167Y7-F142 AromaticContact CE2-CE1 3.88Å; Y7-F142 HydrophobicContact CE2-CE1 3.88Å; Y7-F142 WeakPolarHBondContact OH-CZ 3.35Å; F11-F142 HydrophobicContact CE2-CE1 4.02Å; F11-F142 HydrophobicContact CE2-CZ 4.17Å; F11-F142 AromaticContact CZ-CE1 3.9Å; F11-F142 HydrophobicContact CZ-CE1 3.9Å; F11-F142 AromaticContact CZ-CZ 3.96Å; F11-F142 HydrophobicContact CZ-CZ 3.96Å; F138-F142 AromaticContact CD2-CD2 3.69Å; F138-F142 HydrophobicContact CD2-CD2 3.69Å; F138-F142 AromaticContact CD2-CE2 3.66Å; F138-F142 HydrophobicContact CD2-CE2 3.66Å; F138-F142 AromaticContact CE2-CD2 3.83Å; F138-F142 HydrophobicContact CE2-CD2 3.83Å; F138-F142 AromaticContact CE2-CE2 3.43Å; F138-F142 HydrophobicContact CE2-CE2 3.43Å; F138-F142 VanDerWaalsContact CE2-CE2 3.43Å; F138-F142 HydrophobicContact CG-CD2 4.47Å; F138-F142 HydrophobicContact CG-CE2 4.33Å; F138-F142 AromaticContact CZ-CE2 3.9Å; F138-F142 HydrophobicContact CZ-CE2 3.9Å; F138-F142 WeakPolarHBondContact O-CD2 3.4Å; F138-F142 PolarHBondContact O-N 3.33Å; Y139-F142 WeakPolarHBondContact O-CB 2.91Å; Y139-F142 PolarHBondContact O-N 2.86Å; F142-M144 VanDerWaalsContact C-N 3.33Å; F142-M144 PolarHBondContact O-N 2.89Å; F142-H148 HydrophobicContact CB-CB 4.17Å; F142-H148 HydrophobicContact CD1-CB 3.71Å; F142-H148 AromaticContact CD1-CD2 3.69Å; F142-H148 AromaticContact CD2-CD2 3.36Å; F142-H148 WeakPolarHBondContact CD2-CD2 3.4Å; F142-H148 AromaticContact CD2-NE2 3.88Å; F142-H148 HydrophobicContact CE1-CB 4.28Å; F142-H148 AromaticContact CE1-CD2 3.74Å; F142-H148 AromaticContact CE2-CD2 3.43Å; F142-H148 VanDerWaalsContact CE2-CD2 3.43Å; F142-H148 WeakPolarHBondContact CE2-CD2 3.09Å; F142-H148 AromaticContact CE2-NE2 3.92Å; F142-H148 HydrophobicContact CG-CB 3.92Å; F142-H148 AromaticContact CG-CD2 3.5Å; F142-H148 AromaticContact CG-CG 3.87Å; F142-H148 AromaticContact CZ-CD2 3.63Å; F142-P149 HydrophobicContact CD1-CG 4.46Å; F142-P149 HydrophobicContact CE1-CG 4.12Å; F142-P151 HydrophobicContact CB-CB 3.76Å; F142-P151 HydrophobicContact CB-CG 3.82Å; F142-P151 HydrophobicContact CD1-CB 4.02Å; F142-P151 HydrophobicContact CG-CB 4.17Å; F142-F157 HydrophobicContact CD1-CE2 4.17Å; F142-F157 AromaticContact CD2-CE2 3.62Å; F142-F157 HydrophobicContact CD2-CE2 3.62Å; F142-F157 HydrophobicContact CD2-CZ 4.07Å; F142-F157 HydrophobicContact CE1-CE2 4.19Å; F142-F157 AromaticContact CE2-CE2 3.62Å; F142-F157 HydrophobicContact CE2-CE2 3.62Å; F142-F157 HydrophobicContact CE2-CZ 4.06Å; F142-F157 AromaticContact CG-CE2 3.9Å; F142-F157 HydrophobicContact CG-CE2 3.9Å; F142-F157 AromaticContact CZ-CE2 3.91Å; F142-F157 HydrophobicContact CZ-CE2 3.91Å; F142-V166 HydrophobicContact CZ-CG1 4.37Å; F142-P167 HydrophobicContact CZ-CG 4.25Å
143L97.7Very high96.5Very high65 Ų6526.2 Ų26.234%0.3416%0.156SC..Hα-helixtrans-67.5-31.6178.8-67.2175.6000113.3Y139 Y140 F141 P151 V251Y139-L143 HydrophobicContact CD1-CD1 4.11Å; Y139-L143 HydrophobicContact CE1-CD1 3.64Å; Y139-L143 HydrophobicContact CE1-CG 4.42Å; Y139-L143 PolarHBondContact O-N 2.97Å; Y140-L143 HydrophobicContact CD1-CD1 4.11Å; Y140-L143 HydrophobicContact CE1-CD1 4.47Å; Y140-L143 PolarHBondContact O-N 2.83Å; F141-L143 VanDerWaalsContact C-N 3.29Å; F141-L143 PolarHBondContact O-N 3.3Å; L143-P151 HydrophobicContact CD2-CG 3.52Å; L143-P151 HydrophobicContact CG-CG 3.95Å; L143-V251 HydrophobicContact CB-CG1 4.06Å
144M97Very high96.4Very high8 Ų827.2 Ų27.24%0.03916%0.161CC..Hα-helixtrans-105.7-21.2-169.281.3-164.6-156.100114.4Y140 F141 F142 M247 N248 V251 F254Y140-M144 WeakPolarHBondContact O-CG 3.43Å; Y140-M144 PolarHBondContact O-N 3.41Å; F141-M144 HydrophobicContact CD2-CE 3.57Å; F141-M144 HydrophobicContact CE2-CE 4.09Å; F141-M144 PolarHBondContact O-N 3.2Å; F142-M144 VanDerWaalsContact C-N 3.33Å; F142-M144 PolarHBondContact O-N 2.89Å; M144-M247 HydrophobicContact CE-CE 3.97Å; M144-M247 HydrophobicContact CE-CG 4.07Å; M144-M247 HydrophobicContact CE-SD 3.84Å; M144-M247 HydrophobicContact CG-CG 4.41Å; M144-M247 CarbonylContact O-C 3.58Å; M144-M247 WeakPolarHBondContact O-CA 3.5Å; M144-N248 PolarHBondContact O-N 3.48Å; M144-V251 HydrophobicContact CB-CB 4.45Å; M144-F254 HydrophobicContact CE-CB 4.04Å; M144-F254 HydrophobicContact CE-CD2 3.81Å; M144-F254 HydrophobicContact CE-CG 4.37Å
145V95.2Very high96.4Very high21 Ų2130.1 Ų30.113%0.12718%0.179CC..BIsolated β-bridgetrans-106.7126.9-172.5177.60000111.9F141 H148 I246 M247F141-V145 HydrophobicContact CD1-CB 4.47Å; F141-V145 HydrophobicContact CD1-CG2 4.32Å; F141-V145 HydrophobicContact CD2-CG2 3.6Å; F141-V145 HydrophobicContact CE1-CB 4.28Å; F141-V145 HydrophobicContact CE1-CG1 4.29Å; F141-V145 HydrophobicContact CE1-CG2 4.14Å; F141-V145 HydrophobicContact CE2-CB 4.39Å; F141-V145 HydrophobicContact CE2-CG2 3.4Å; F141-V145 VanDerWaalsContact CE2-CG2 3.4Å; F141-V145 HydrophobicContact CG-CG2 4.08Å; F141-V145 HydrophobicContact CZ-CB 4.23Å; F141-V145 HydrophobicContact CZ-CG1 4.14Å; F141-V145 HydrophobicContact CZ-CG2 3.68Å; F141-V145 WeakPolarHBondContact O-CB 3.26Å; F141-V145 PolarHBondContact O-N 3.47Å; V145-H148 PolarHBondContact O-N 2.96Å; V145-H148 PolarHBondContact O-ND1 3Å; V145-I246 WeakPolarHBondContact CA-O 3.43Å; V145-M247 HydrophobicContact CG2-CB 4.48Å; V145-M247 HydrophobicContact CG2-CE 3.57Å; V145-M247 HydrophobicContact CG2-CG 4.05Å
146A90.5Very high96.4Very high43 Ų4335.5 Ų35.536%0.35521%0.205SC..THydrogen-bonded Turntrans-60.7151.2175.100000112.4H148 E245 I246A146-H148 VanDerWaalsContact C-N 3.29Å; A146-E245 WeakPolarHBondContact CB-O 3.5Å; A146-I246 PolarHBondContact N-O 3.09Å
147G87.6Confident96.4Very high29 Ų2935.5 Ų35.530%0.29921%0.205SC..THydrogen-bonded Turntrans87.2-4.4-173.600000113.6K10K10-G147 WeakPolarHBondContact CB-O 3.34Å
148H93.3Very high96.4Very high18 Ų1834.5 Ų34.58%0.08320%0.198CC..PPolyproline II helixtrans-93.3143.3165-6389.6000111Y20 F141 F142 V145 A146Y20-H148 AromaticContact CE1-CE1 3.75Å; Y20-H148 AromaticContact CE1-NE2 3.48Å; Y20-H148 WeakPolarHBondContact CE1-NE2 3.37Å; Y20-H148 AromaticContact CZ-NE2 3.63Å; Y20-H148 PolarHBondContact OH-CE1 3.07Å; Y20-H148 PolarHBondContact OH-NE2 3.5Å; F141-H148 AromaticContact CD1-CE1 3.49Å; F141-H148 VanDerWaalsContact CD1-CE1 3.49Å; F141-H148 WeakPolarHBondContact CD1-CE1 3.33Å; F141-H148 AromaticContact CD1-NE2 3.66Å; F141-H148 AromaticContact CE1-CE1 3.41Å; F141-H148 VanDerWaalsContact CE1-CE1 3.41Å; F141-H148 WeakPolarHBondContact CE1-CE1 3.42Å; F141-H148 AromaticContact CE1-NE2 3.82Å; F142-H148 HydrophobicContact CB-CB 4.17Å; F142-H148 HydrophobicContact CD1-CB 3.71Å; F142-H148 AromaticContact CD1-CD2 3.69Å; F142-H148 AromaticContact CD2-CD2 3.36Å; F142-H148 WeakPolarHBondContact CD2-CD2 3.4Å; F142-H148 AromaticContact CD2-NE2 3.88Å; F142-H148 HydrophobicContact CE1-CB 4.28Å; F142-H148 AromaticContact CE1-CD2 3.74Å; F142-H148 AromaticContact CE2-CD2 3.43Å; F142-H148 VanDerWaalsContact CE2-CD2 3.43Å; F142-H148 WeakPolarHBondContact CE2-CD2 3.09Å; F142-H148 AromaticContact CE2-NE2 3.92Å; F142-H148 HydrophobicContact CG-CB 3.92Å; F142-H148 AromaticContact CG-CD2 3.5Å; F142-H148 AromaticContact CG-CG 3.87Å; F142-H148 AromaticContact CZ-CD2 3.63Å; V145-H148 PolarHBondContact O-N 2.96Å; V145-H148 PolarHBondContact O-ND1 3Å; A146-H148 VanDerWaalsContact C-N 3.29Å
149P93.4Very high96.4Very high5 Ų537.2 Ų37.23%0.03221%0.211CC..PPolyproline II helixtrans-72.1168.3165.334.1-35.6000109.7Y7 K10 F11 F142 P151Y7-P149 HydrophobicContact CD2-CB 4.08Å; Y7-P149 HydrophobicContact CD2-CG 3.28Å; Y7-P149 HydrophobicContact CE2-CG 3.56Å; Y7-P149 HydrophobicContact CG-CG 3.95Å; K10-P149 HydrophobicContact CG-CB 4.24Å; F11-P149 VanDerWaalsContact CE2-CD 3.5Å; F11-P149 HydrophobicContact CE2-CG 3.76Å; F11-P149 HydrophobicContact CZ-CG 4.14Å; F142-P149 HydrophobicContact CD1-CG 4.46Å; F142-P149 HydrophobicContact CE1-CG 4.12Å; P149-P151 WeakPolarHBondContact O-CD 3.44Å
150N94.3Very high96.3Very high118 Ų11837 Ų3763%0.63121%0.21SC*.PPolyproline II helixtrans-58.5121.7170.5-176-18.8000109.5G152N150-G152 PolarHBondContact O-N 3.12Å; N150-G152 PolarHBondContact OD1-N 2.67Å
151P94.9Very high96.3Very high6 Ų633.9 Ų33.94%0.03920%0.198CC..  trans-71.7-8.1-177.729.5-35.5000113.7Y139 F142 L143 P149 F157Y139-P151 HydrophobicContact CD2-CB 3.87Å; Y139-P151 HydrophobicContact CD2-CG 4.03Å; Y139-P151 HydrophobicContact CE2-CB 3.81Å; Y139-P151 HydrophobicContact CE2-CG 3.7Å; F142-P151 HydrophobicContact CB-CB 3.76Å; F142-P151 HydrophobicContact CB-CG 3.82Å; F142-P151 HydrophobicContact CD1-CB 4.02Å; F142-P151 HydrophobicContact CG-CB 4.17Å; L143-P151 HydrophobicContact CD2-CG 3.52Å; L143-P151 HydrophobicContact CG-CG 3.95Å; P149-P151 WeakPolarHBondContact O-CD 3.44Å; P151-F157 HydrophobicContact CB-CB 4.41Å; P151-F157 HydrophobicContact CB-CD2 3.71Å; P151-F157 HydrophobicContact CB-CE2 4.44Å; P151-F157 HydrophobicContact CB-CG 4.36Å
152G95.8Very high96.3Very high26 Ų2632.8 Ų32.827%0.26819%0.193SC..  trans73.5-156.3-171.600000112Y139 N150Y139-G152 VanDerWaalsContact CE2-O 3.3Å; Y139-G152 WeakPolarHBondContact CE2-O 3.42Å; Y139-G152 PolarHBondContact OH-O 2.64Å; N150-G152 PolarHBondContact O-N 3.12Å; N150-G152 PolarHBondContact OD1-N 2.67Å
153S98Very high96.4Very high51 Ų5137.3 Ų37.336%0.35722%0.215SC..SBendtrans-69.2157.5169.667.50000111.2E156 F157S153-E156 WeakPolarHBondContact CB-OE2 3.41Å; S153-E156 PolarHBondContact N-OE2 3.31Å; S153-E156 PolarHBondContact O-N 3.45Å; S153-E156 VanDerWaalsContact O-N 3.14Å; S153-E156 VanDerWaalsContact OG-CG 3.28Å; S153-E156 WeakPolarHBondContact OG-CG 3.31Å; S153-E156 PolarHBondContact OG-OE2 2.91Å; S153-F157 PolarHBondContact O-N 3.18Å
154F98.7Very high96.4Very high22 Ų2234.8 Ų34.810%0.09620%0.204CC..Hα-helixtrans-55.8-42.5178.4-177.5-110.3000113.6V136 Y139 E156 F157 V158 H266 F267 L271V136-F154 HydrophobicContact CB-CE2 4.5Å; V136-F154 HydrophobicContact CG2-CE2 3.99Å; V136-F154 HydrophobicContact CG2-CZ 3.63Å; Y139-F154 AromaticContact CD1-CD2 3.98Å; Y139-F154 HydrophobicContact CD1-CD2 3.98Å; Y139-F154 HydrophobicContact CD2-CD2 4.09Å; Y139-F154 HydrophobicContact CE1-CB 4.42Å; Y139-F154 HydrophobicContact CE2-CB 4.43Å; Y139-F154 AromaticContact CG-CD2 3.71Å; Y139-F154 HydrophobicContact CG-CD2 3.71Å; Y139-F154 HydrophobicContact CG-CE2 4.41Å; F154-E156 PolarHBondContact O-N 3.24Å; F154-F157 PolarHBondContact O-N 3.46Å; F154-V158 HydrophobicContact CD1-CG2 4.22Å; F154-V158 HydrophobicContact CD2-CG2 4.29Å; F154-V158 HydrophobicContact CE1-CG2 3.74Å; F154-V158 HydrophobicContact CE2-CG2 3.81Å; F154-V158 HydrophobicContact CG-CG2 4.47Å; F154-V158 HydrophobicContact CZ-CG2 3.52Å; F154-V158 WeakPolarHBondContact O-CG2 3.22Å; F154-V158 PolarHBondContact O-N 3.36Å; F154-H266 HydrophobicContact CD1-CB 3.98Å; F154-H266 HydrophobicContact CE1-CB 3.59Å; F154-H266 HydrophobicContact CZ-CB 3.93Å; F154-F267 AromaticContact CE1-CD2 3.69Å; F154-F267 HydrophobicContact CE1-CD2 3.69Å; F154-F267 AromaticContact CE1-CE2 3.74Å; F154-F267 HydrophobicContact CE1-CE2 3.74Å; F154-F267 HydrophobicContact CE1-CG 4.16Å; F154-F267 HydrophobicContact CE1-CZ 4.21Å; F154-F267 AromaticContact CZ-CD2 3.88Å; F154-F267 HydrophobicContact CZ-CD2 3.88Å; F154-F267 AromaticContact CZ-CE2 3.47Å; F154-F267 HydrophobicContact CZ-CE2 3.47Å; F154-F267 VanDerWaalsContact CZ-CE2 3.47Å; F154-F267 AromaticContact CZ-CZ 3.97Å; F154-F267 HydrophobicContact CZ-CZ 3.97Å; F154-L271 HydrophobicContact CD1-CD2 4.09Å; F154-L271 HydrophobicContact CE1-CD2 4.08Å
155P98.8Very high96.4Very high61 Ų6137 Ų3740%0.39622%0.215SC..Hα-helixtrans-61.3-39.2174.5-24.235000114.3V158 E159 L271P155-V158 PolarHBondContact O-N 2.89Å; P155-E159 PolarHBondContact O-N 3.45Å; P155-E159 VanDerWaalsContact O-N 3.08Å; P155-L271 HydrophobicContact CB-CD1 4.4Å; P155-L271 HydrophobicContact CB-CD2 4.14Å; P155-L271 HydrophobicContact CG-CD2 4.19Å
156E98.1Very high96.6Very high113 Ų11336 Ų3653%0.52821%0.209SC..Hα-helixtrans-64.9-41.6176.3-70.5164.614100111.1S153 F154 E159 K160S153-E156 WeakPolarHBondContact CB-OE2 3.41Å; S153-E156 PolarHBondContact N-OE2 3.31Å; S153-E156 PolarHBondContact O-N 3.45Å; S153-E156 VanDerWaalsContact O-N 3.14Å; S153-E156 VanDerWaalsContact OG-CG 3.28Å; S153-E156 WeakPolarHBondContact OG-CG 3.31Å; S153-E156 PolarHBondContact OG-OE2 2.91Å; F154-E156 PolarHBondContact O-N 3.24Å; E156-E159 WeakPolarHBondContact O-CB 3.5Å; E156-E159 PolarHBondContact O-N 3.04Å; E156-K160 PolarHBondContact O-N 2.88Å
157F98.6Very high96.9Very high0 Ų034 Ų340%019%0.192CC..Hα-helixtrans-63.3-43174.5-179.5-96.2000112.3A135 F138 Y139 F142 P151 S153 F154 E159 K160 F161 V166A135-F157 WeakPolarHBondContact O-CE1 3.3Å; F138-F157 HydrophobicContact CB-CE1 4.12Å; F138-F157 HydrophobicContact CB-CZ 3.84Å; F138-F157 HydrophobicContact CD1-CZ 4.29Å; F138-F157 AromaticContact CG-CZ 3.98Å; F138-F157 HydrophobicContact CG-CZ 3.98Å; Y139-F157 HydrophobicContact CD2-CB 3.61Å; Y139-F157 HydrophobicContact CD2-CD1 4.02Å; Y139-F157 HydrophobicContact CD2-CD2 4.24Å; Y139-F157 AromaticContact CD2-CG 3.68Å; Y139-F157 HydrophobicContact CD2-CG 3.68Å; Y139-F157 HydrophobicContact CE2-CB 4.1Å; Y139-F157 HydrophobicContact CG-CD1 4.41Å; Y139-F157 HydrophobicContact CG-CG 4.49Å; F142-F157 HydrophobicContact CD1-CE2 4.17Å; F142-F157 AromaticContact CD2-CE2 3.62Å; F142-F157 HydrophobicContact CD2-CE2 3.62Å; F142-F157 HydrophobicContact CD2-CZ 4.07Å; F142-F157 HydrophobicContact CE1-CE2 4.19Å; F142-F157 AromaticContact CE2-CE2 3.62Å; F142-F157 HydrophobicContact CE2-CE2 3.62Å; F142-F157 HydrophobicContact CE2-CZ 4.06Å; F142-F157 AromaticContact CG-CE2 3.9Å; F142-F157 HydrophobicContact CG-CE2 3.9Å; F142-F157 AromaticContact CZ-CE2 3.91Å; F142-F157 HydrophobicContact CZ-CE2 3.91Å; P151-F157 HydrophobicContact CB-CB 4.41Å; P151-F157 HydrophobicContact CB-CD2 3.71Å; P151-F157 HydrophobicContact CB-CE2 4.44Å; P151-F157 HydrophobicContact CB-CG 4.36Å; S153-F157 PolarHBondContact O-N 3.18Å; F154-F157 PolarHBondContact O-N 3.46Å; F157-E159 PolarHBondContact O-N 3.46Å; F157-K160 PolarHBondContact O-N 3.31Å; F157-F161 HydrophobicContact CE1-CB 4.48Å; F157-F161 PolarHBondContact O-N 3.15Å; F157-V166 HydrophobicContact CE2-CG1 4.13Å; F157-V166 HydrophobicContact CZ-CG1 4.27Å
158V98.8Very high97.4Very high0 Ų032.8 Ų32.80%018%0.178CC..Hα-helixtrans-61.8-34.6177.51700000111.2F154 P155 F161 M162 F267 L271 F275F154-V158 HydrophobicContact CD1-CG2 4.22Å; F154-V158 HydrophobicContact CD2-CG2 4.29Å; F154-V158 HydrophobicContact CE1-CG2 3.74Å; F154-V158 HydrophobicContact CE2-CG2 3.81Å; F154-V158 HydrophobicContact CG-CG2 4.47Å; F154-V158 HydrophobicContact CZ-CG2 3.52Å; F154-V158 WeakPolarHBondContact O-CG2 3.22Å; F154-V158 PolarHBondContact O-N 3.36Å; P155-V158 PolarHBondContact O-N 2.89Å; V158-F161 PolarHBondContact O-N 2.98Å; V158-M162 HydrophobicContact CG1-CE 4.26Å; V158-M162 HydrophobicContact CG1-CG 4.33Å; V158-M162 HydrophobicContact CG1-SD 4.43Å; V158-M162 WeakPolarHBondContact O-CB 3.41Å; V158-M162 WeakPolarHBondContact O-CG 3.42Å; V158-M162 PolarHBondContact O-N 3.25Å; V158-F267 HydrophobicContact CG1-CE1 4.04Å; V158-F267 HydrophobicContact CG1-CZ 4.39Å; V158-F267 HydrophobicContact CG2-CE1 4.23Å; V158-F267 HydrophobicContact CG2-CZ 4Å; V158-L271 HydrophobicContact CB-CD1 4.32Å; V158-L271 HydrophobicContact CB-CD2 4.28Å; V158-L271 HydrophobicContact CG1-CD1 3.95Å; V158-L271 HydrophobicContact CG1-CD2 4.4Å; V158-L271 HydrophobicContact CG1-CG 4.31Å; V158-L271 HydrophobicContact CG2-CD2 4.19Å; V158-F275 HydrophobicContact CG1-CD2 3.8Å; V158-F275 HydrophobicContact CG1-CE2 4.38Å
159E98.6Very high97.7Very high57 Ų5732.2 Ų32.227%0.26618%0.177SC..Hα-helixtrans-60.6-50172.9-169.661.3-151.800111.7P155 E156 F157 F161 M162 Q163 K274P155-E159 PolarHBondContact O-N 3.45Å; P155-E159 VanDerWaalsContact O-N 3.08Å; E156-E159 WeakPolarHBondContact O-CB 3.5Å; E156-E159 PolarHBondContact O-N 3.04Å; F157-E159 PolarHBondContact O-N 3.46Å; E159-F161 VanDerWaalsContact C-N 3.3Å; E159-F161 PolarHBondContact O-N 2.98Å; E159-M162 PolarHBondContact O-N 3Å; E159-M162 WeakPolarHBondContact OE2-CE 3.34Å; E159-Q163 WeakPolarHBondContact O-CG 3.27Å; E159-Q163 PolarHBondContact O-N 3.07Å; E159-Q163 VanDerWaalsContact O-N 3.1Å; E159-Q163 PolarHBondContact OE1-NE2 2.95Å; E159-K274 IonicContact OE1-NZ 2.87Å; E159-K274 WeakPolarHBondContact OE2-CE 3.31Å; E159-K274 IonicContact OE2-NZ 2.97Å; E159-K274 PolarHBondContact OE2-NZ 3.24Å
160K98.4Very high97.9Very high30 Ų3033 Ų3313%0.1318%0.183CC..Hα-helixtrans-59.2-42.4176.1-67.8-175.8177.5-68.40111.6E4 Y7 E156 F157 Q163 G164 Q165 V166E4-K160 IonicContact OE1-NZ 2.67Å; E4-K160 PolarHBondContact OE1-NZ 2.91Å; Y7-K160 HydrophobicContact CD2-CD 4.01Å; Y7-K160 HydrophobicContact CE1-CD 4.33Å; Y7-K160 HydrophobicContact CE2-CD 3.58Å; E156-K160 PolarHBondContact O-N 2.88Å; F157-K160 PolarHBondContact O-N 3.31Å; K160-Q163 PolarHBondContact O-N 3.29Å; K160-G164 PolarHBondContact O-N 3.41Å; K160-Q165 HydrophobicContact CB-CB 4.3Å; K160-Q165 PolarHBondContact O-N 2.98Å; K160-V166 HydrophobicContact CB-CG1 4.29Å
161F98.8Very high98.2Very high0 Ų027.4 Ų27.40%015%0.153CC..Hα-helixtrans-61.7-45.6176180-89000112.5Y45 A131 V134 A135 F157 V158 E159 Q163 G164 V166 W171 F275Y45-F161 AromaticContact CE1-CE2 3.88Å; Y45-F161 HydrophobicContact CE1-CE2 3.88Å; A131-F161 HydrophobicContact CB-CE1 4.19Å; A131-F161 HydrophobicContact CB-CZ 4.36Å; V134-F161 HydrophobicContact CG1-CE2 3.88Å; V134-F161 HydrophobicContact CG1-CZ 4.11Å; A135-F161 HydrophobicContact CB-CD1 4.08Å; A135-F161 HydrophobicContact CB-CD2 4.28Å; A135-F161 HydrophobicContact CB-CE1 4.21Å; A135-F161 HydrophobicContact CB-CE2 4.4Å; A135-F161 HydrophobicContact CB-CG 4.11Å; A135-F161 HydrophobicContact CB-CZ 4.36Å; F157-F161 HydrophobicContact CE1-CB 4.48Å; F157-F161 PolarHBondContact O-N 3.15Å; V158-F161 PolarHBondContact O-N 2.98Å; E159-F161 VanDerWaalsContact C-N 3.3Å; E159-F161 PolarHBondContact O-N 2.98Å; F161-Q163 VanDerWaalsContact C-N 3.25Å; F161-Q163 PolarHBondContact O-N 3.5Å; F161-G164 PolarHBondContact O-N 2.74Å; F161-V166 HydrophobicContact CD2-CG2 4.33Å; F161-W171 HydrophobicContact CE1-CB 4.27Å; F161-W171 HydrophobicContact CE2-CB 4Å; F161-W171 HydrophobicContact CZ-CB 3.53Å; F161-W171 AromaticContact CZ-CG 3.8Å; F161-W171 HydrophobicContact CZ-CG 3.8Å; F161-F275 HydrophobicContact CD1-CE2 4.02Å; F161-F275 HydrophobicContact CE1-CE2 4.08Å; F161-F275 HydrophobicContact CE1-CZ 4.14Å
162M98.8Very high98.4Very high8 Ų827.1 Ų27.14%0.03915%0.151CC..Hα-helixtrans-61-35.6178-76.4-170.6-58.700112.3V158 E159 G164 Y172 K274 F275 H278V158-M162 HydrophobicContact CG1-CE 4.26Å; V158-M162 HydrophobicContact CG1-CG 4.33Å; V158-M162 HydrophobicContact CG1-SD 4.43Å; V158-M162 WeakPolarHBondContact O-CB 3.41Å; V158-M162 WeakPolarHBondContact O-CG 3.42Å; V158-M162 PolarHBondContact O-N 3.25Å; E159-M162 PolarHBondContact O-N 3Å; E159-M162 WeakPolarHBondContact OE2-CE 3.34Å; M162-G164 VanDerWaalsContact C-N 3.31Å; M162-Y172 WeakPolarHBondContact O-CE2 3.36Å; M162-K274 HydrophobicContact CE-CD 4.19Å; M162-K274 HydrophobicContact CE-CG 4.45Å; M162-F275 HydrophobicContact CG-CD2 3.67Å; M162-F275 HydrophobicContact CG-CE2 3.85Å; M162-F275 HydrophobicContact SD-CB 4.28Å; M162-F275 HydrophobicContact SD-CD2 3.73Å; M162-F275 HydrophobicContact SD-CE2 4.48Å; M162-F275 HydrophobicContact SD-CG 4.33Å; M162-H278 PolarHBondContact O-NE2 3.2Å; M162-H278 HydrophobicContact SD-CB 4.02Å
163Q98.4Very high98.5Very high102 Ų10232.7 Ų32.748%0.47717%0.168SC..Hα-helixtrans-81.6-8.7177.4-63.1179.613.500113.3E159 K160 F161 Q165E159-Q163 WeakPolarHBondContact O-CG 3.27Å; E159-Q163 PolarHBondContact O-N 3.07Å; E159-Q163 VanDerWaalsContact O-N 3.1Å; E159-Q163 PolarHBondContact OE1-NE2 2.95Å; K160-Q163 PolarHBondContact O-N 3.29Å; F161-Q163 VanDerWaalsContact C-N 3.25Å; F161-Q163 PolarHBondContact O-N 3.5Å; Q163-Q165 HydrophobicContact CB-CG 4.04Å; Q163-Q165 PolarHBondContact O-N 3.09Å; Q163-Q165 VanDerWaalsContact OE1-NE2 3.17Å
164G98.2Very high98.5Very high12 Ų1230.4 Ų30.412%0.12415%0.152CC..THydrogen-bonded Turntrans71.519.2-174.500000113.7K160 F161 M162 V166 G169K160-G164 PolarHBondContact O-N 3.41Å; F161-G164 PolarHBondContact O-N 2.74Å; M162-G164 VanDerWaalsContact C-N 3.31Å; G164-V166 PolarHBondContact O-N 3.28Å; G164-V166 VanDerWaalsContact O-N 3.13Å; G164-G169 CarbonylContact O-C 3.54Å; G164-G169 VanDerWaalsContact O-CA 3.32Å; G164-G169 WeakPolarHBondContact O-CA 3.4Å
165Q97.6Very high98.5Very high55 Ų5529.4 Ų29.426%0.25715%0.147SC..  trans-85.853.9174.9-65.3178.9-8.500110.4Y7 K160 Q163Y7-Q165 VanDerWaalsContact CE1-O 3.24Å; Y7-Q165 WeakPolarHBondContact CE1-O 3.42Å; Y7-Q165 VanDerWaalsContact CZ-O 3.27Å; Y7-Q165 PolarHBondContact OH-O 3.4Å; K160-Q165 HydrophobicContact CB-CB 4.3Å; K160-Q165 PolarHBondContact O-N 2.98Å; Q163-Q165 HydrophobicContact CB-CG 4.04Å; Q163-Q165 PolarHBondContact O-N 3.09Å; Q163-Q165 VanDerWaalsContact OE1-NE2 3.17Å
166V98.2Very high98.5Very high0 Ų028.8 Ų28.80%014%0.139CC..SBendtrans-141.3159.7176.3-68.30000108.3Y45 F138 F142 F157 K160 F161 G164 Y168 G169Y45-V166 WeakPolarHBondContact OH-CG2 3.49Å; F138-V166 HydrophobicContact CE1-CB 4.16Å; F138-V166 HydrophobicContact CE1-CG2 4.08Å; F142-V166 HydrophobicContact CZ-CG1 4.37Å; F157-V166 HydrophobicContact CE2-CG1 4.13Å; F157-V166 HydrophobicContact CZ-CG1 4.27Å; K160-V166 HydrophobicContact CB-CG1 4.29Å; F161-V166 HydrophobicContact CD2-CG2 4.33Å; G164-V166 PolarHBondContact O-N 3.28Å; G164-V166 VanDerWaalsContact O-N 3.13Å; V166-Y168 PolarHBondContact O-N 3.14Å; V166-G169 WeakPolarHBondContact O-CA 3.45Å; V166-G169 PolarHBondContact O-N 3.2Å
167P98.3Very high98.6Very high0 Ų024.4 Ų24.40%012%0.12CC..THydrogen-bonded Turntrans-52138.1177.4-28.836.2000112.3F11 L18 Y20 F138 F142 G169F11-P167 HydrophobicContact CD1-CG 3.87Å; F11-P167 HydrophobicContact CE1-CG 3.36Å; F11-P167 HydrophobicContact CE2-CG 4.11Å; F11-P167 HydrophobicContact CG-CG 4.47Å; F11-P167 HydrophobicContact CZ-CG 3.47Å; F11-P167 VanDerWaalsContact CZ-CG 3.47Å; L18-P167 CarbonylContact O-C 3.53Å; L18-P167 VanDerWaalsContact O-CA 3.3Å; L18-P167 WeakPolarHBondContact O-CA 3.28Å; Y20-P167 HydrophobicContact CD1-CG 4.46Å; Y20-P167 HydrophobicContact CD2-CB 4.29Å; Y20-P167 HydrophobicContact CE1-CB 4.24Å; Y20-P167 HydrophobicContact CE1-CG 3.89Å; Y20-P167 HydrophobicContact CE2-CB 3.73Å; Y20-P167 HydrophobicContact CE2-CG 4.29Å; F138-P167 HydrophobicContact CZ-CB 4.29Å; F138-P167 HydrophobicContact CZ-CG 4.48Å; F142-P167 HydrophobicContact CZ-CG 4.25Å; P167-G169 PolarHBondContact O-N 3.23Å
168Y98.6Very high98.6Very high4 Ų424.4 Ų24.42%0.01612%0.12CC..THydrogen-bonded Turntrans69.29-171-54.3-82.1000115.2V17 L18 M19 Y20 P46 F80 E82 H107 L108 V166V17-Y168 VanDerWaalsContact CG1-C 3.47Å; L18-Y168 PolarHBondContact O-N 3.02Å; M19-Y168 HydrophobicContact CE-CD1 4.1Å; M19-Y168 HydrophobicContact CE-CE1 3.58Å; M19-Y168 HydrophobicContact SD-CD1 3.66Å; M19-Y168 HydrophobicContact SD-CE1 3.78Å; M19-Y168 HydrophobicContact SD-CG 4.27Å; Y20-Y168 HydrophobicContact CD2-CE2 4.42Å; Y20-Y168 AromaticContact CE2-CE2 3.74Å; Y20-Y168 HydrophobicContact CE2-CE2 3.74Å; P46-Y168 HydrophobicContact CG-CD2 3.29Å; P46-Y168 HydrophobicContact CG-CE2 3.91Å; P46-Y168 HydrophobicContact CG-CG 3.97Å; F80-Y168 WeakPolarHBondContact CZ-OH 3.28Å; E82-Y168 HydrophobicContact CG-CE1 4.31Å; E82-Y168 WeakPolarHBondContact OE1-CE1 3.44Å; E82-Y168 PolarHBondContact OE1-OH 2.67Å; H107-Y168 HydrophobicContact CB-CD1 3.6Å; H107-Y168 HydrophobicContact CB-CD2 3.92Å; H107-Y168 HydrophobicContact CB-CE1 3.36Å; H107-Y168 HydrophobicContact CB-CE2 3.65Å; H107-Y168 HydrophobicContact CB-CG 3.86Å; H107-Y168 WeakPolarHBondContact O-CD1 3.23Å; L108-Y168 HydrophobicContact CD2-CD1 4.48Å; L108-Y168 HydrophobicContact CD2-CE1 4.16Å; V166-Y168 PolarHBondContact O-N 3.14Å
169G98.5Very high98.5Very high6 Ų627.1 Ų27.16%0.06213%0.13CC..  trans70.1-147.2168.800000114.3Y45 G164 V166 P167 W171Y45-G169 WeakPolarHBondContact CE2-O 3.23Å; Y45-G169 PolarHBondContact OH-O 3.03Å; G164-G169 CarbonylContact O-C 3.54Å; G164-G169 VanDerWaalsContact O-CA 3.32Å; G164-G169 WeakPolarHBondContact O-CA 3.4Å; V166-G169 WeakPolarHBondContact O-CA 3.45Å; V166-G169 PolarHBondContact O-N 3.2Å; P167-G169 PolarHBondContact O-N 3.23Å; G169-W171 PolarHBondContact O-N 3.31Å
170S98.8Very high98.4Very high23 Ų2332.1 Ų32.116%0.16115%0.151CC..  trans-68.7113.5-176177.20000112.2Y172 K173 H174S170-Y172 PolarHBondContact O-N 2.77Å; S170-Y172 WeakPolarHBondContact OG-CD2 3.45Å; S170-Y172 PolarHBondContact OG-N 2.67Å; S170-K173 PolarHBondContact O-N 3.31Å; S170-K173 PolarHBondContact OG-N 3.33Å; S170-H174 WeakPolarHBondContact O-CB 3.28Å; S170-H174 PolarHBondContact O-N 2.98Å
171W98.9Very high98.2Very high0 Ų035.1 Ų35.10%016%0.164CC..Hα-helixtrans-51.1-41.9170.1174.393.8000111.6Y45 R129 A131 F161 G169 H174 V175 Y279 M283 F290Y45-W171 HydrophobicContact CD1-CB 4.37Å; Y45-W171 AromaticContact CD1-CD1 3.56Å; Y45-W171 HydrophobicContact CD1-CG 4.37Å; Y45-W171 HydrophobicContact CD2-CB 4.26Å; Y45-W171 HydrophobicContact CE1-CB 4.09Å; Y45-W171 HydrophobicContact CE1-CG 4.49Å; Y45-W171 HydrophobicContact CE2-CB 3.98Å; Y45-W171 HydrophobicContact CG-CB 4.43Å; Y45-W171 AromaticContact CG-CD1 3.7Å; Y45-W171 HydrophobicContact CG-CG 4.43Å; R129-W171 VanDerWaalsContact O-CZ2 3.31Å; R129-W171 WeakPolarHBondContact O-CZ2 3.36Å; R129-W171 PolarHBondContact O-NE1 3.14Å; A131-W171 HydrophobicContact CB-CD2 3.7Å; A131-W171 HydrophobicContact CB-CE3 3.63Å; A131-W171 HydrophobicContact CB-CG 4.49Å; A131-W171 HydrophobicContact CB-CH2 3.78Å; A131-W171 HydrophobicContact CB-CZ2 3.79Å; A131-W171 HydrophobicContact CB-CZ3 3.69Å; F161-W171 HydrophobicContact CE1-CB 4.27Å; F161-W171 HydrophobicContact CE2-CB 4Å; F161-W171 HydrophobicContact CZ-CB 3.53Å; F161-W171 AromaticContact CZ-CG 3.8Å; F161-W171 HydrophobicContact CZ-CG 3.8Å; G169-W171 PolarHBondContact O-N 3.31Å; W171-H174 WeakPolarHBondContact O-CB 3.44Å; W171-H174 PolarHBondContact O-N 2.75Å; W171-V175 HydrophobicContact CD2-CG1 4.2Å; W171-V175 HydrophobicContact CD2-CG2 4.34Å; W171-V175 HydrophobicContact CE3-CG2 4.19Å; W171-V175 HydrophobicContact CH2-CG2 3.87Å; W171-V175 HydrophobicContact CZ2-CG1 3.87Å; W171-V175 HydrophobicContact CZ2-CG2 4.06Å; W171-V175 HydrophobicContact CZ3-CG2 3.94Å; W171-V175 WeakPolarHBondContact O-CG2 3.48Å; W171-V175 PolarHBondContact O-N 2.82Å; W171-Y279 AromaticContact CH2-CE2 3.71Å; W171-Y279 HydrophobicContact CH2-CE2 3.71Å; W171-Y279 HydrophobicContact CZ3-CD2 4.27Å; W171-Y279 AromaticContact CZ3-CE2 3.53Å; W171-Y279 HydrophobicContact CZ3-CE2 3.53Å; W171-M283 HydrophobicContact CH2-CE 4.34Å; W171-M283 HydrophobicContact CZ3-CE 4.18Å; W171-M283 HydrophobicContact CZ3-SD 4.18Å; W171-F290 AromaticContact CH2-CD2 3.82Å; W171-F290 HydrophobicContact CH2-CD2 3.82Å; W171-F290 AromaticContact CH2-CE2 3.47Å; W171-F290 HydrophobicContact CH2-CE2 3.47Å; W171-F290 VanDerWaalsContact CH2-CE2 3.47Å; W171-F290 HydrophobicContact CH2-CG 4.47Å; W171-F290 AromaticContact CH2-CZ 3.9Å; W171-F290 HydrophobicContact CH2-CZ 3.9Å; W171-F290 HydrophobicContact CZ2-CD1 4.49Å; W171-F290 HydrophobicContact CZ2-CD2 4.22Å; W171-F290 HydrophobicContact CZ2-CE1 4.04Å; W171-F290 AromaticContact CZ2-CE2 3.7Å; W171-F290 HydrophobicContact CZ2-CE2 3.7Å; W171-F290 AromaticContact CZ2-CZ 3.61Å; W171-F290 HydrophobicContact CZ2-CZ 3.61Å
172Y98.8Very high97.6Very high0 Ų038.6 Ų38.60%018%0.18CC..Hα-helixtrans-61.4-47.9-178.8-46.7-84.7000111.9M162 S170 K176 H278 Y279 Q282 M283M162-Y172 WeakPolarHBondContact O-CE2 3.36Å; S170-Y172 PolarHBondContact O-N 2.77Å; S170-Y172 WeakPolarHBondContact OG-CD2 3.45Å; S170-Y172 PolarHBondContact OG-N 2.67Å; Y172-K176 VanDerWaalsContact O-CB 3.31Å; Y172-K176 WeakPolarHBondContact O-CB 3.49Å; Y172-K176 WeakPolarHBondContact O-CE 3.37Å; Y172-K176 VanDerWaalsContact O-CG 3.22Å; Y172-K176 WeakPolarHBondContact O-CG 3.17Å; Y172-K176 PolarHBondContact O-N 2.92Å; Y172-H278 AromaticContact CE2-NE2 3.81Å; Y172-H278 AromaticContact CZ-CD2 3.74Å; Y172-H278 AromaticContact CZ-NE2 3.95Å; Y172-H278 PolarHBondContact OH-CD2 2.78Å; Y172-Y279 HydrophobicContact CD1-CD2 4.41Å; Y172-Y279 AromaticContact CE1-CD2 3.81Å; Y172-Y279 HydrophobicContact CE1-CD2 3.81Å; Y172-Y279 HydrophobicContact CE1-CE2 4.48Å; Y172-Y279 HydrophobicContact CE1-CG 4.5Å; Y172-Q282 HydrophobicContact CD1-CB 3.58Å; Y172-Q282 HydrophobicContact CD1-CG 3.99Å; Y172-Q282 HydrophobicContact CD2-CG 4.17Å; Y172-Q282 HydrophobicContact CE1-CB 4.11Å; Y172-Q282 HydrophobicContact CE1-CG 4.21Å; Y172-Q282 HydrophobicContact CE2-CG 4.41Å; Y172-Q282 HydrophobicContact CG-CB 3.83Å; Y172-Q282 HydrophobicContact CG-CG 3.98Å; Y172-M283 HydrophobicContact CD1-CG 4.02Å; Y172-M283 HydrophobicContact CD1-SD 4.02Å
173K98.8Very high97.1Very high143 Ų14347.2 Ų47.262%0.62222%0.218SC*.Hα-helixtrans-64.6-45.1176.4-69.1-177.3-179.8177.40110.2S170 V175 K176 S177S170-K173 PolarHBondContact O-N 3.31Å; S170-K173 PolarHBondContact OG-N 3.33Å; K173-V175 PolarHBondContact O-N 2.78Å; K173-K176 PolarHBondContact O-N 2.76Å; K173-S177 WeakPolarHBondContact O-CB 3.07Å; K173-S177 PolarHBondContact O-N 3.27Å; K173-S177 PolarHBondContact O-OG 2.97Å
174H98.9Very high96.8Very high3 Ų344.3 Ų44.31%0.01421%0.209CC..Hα-helixtrans-55.6-55.6-178.3-163.8-78.2000112.6Y45 H107 L108 Y126 S170 W171 K176 S177 W178Y45-H174 HydrophobicContact CD2-CB 3.83Å; Y45-H174 AromaticContact CD2-CD2 3.95Å; Y45-H174 AromaticContact CD2-CG 3.73Å; Y45-H174 HydrophobicContact CE2-CB 4.49Å; Y45-H174 PolarHBondContact N-CE1 2.69Å; H107-H174 PolarHBondContact O-NE2 3.47Å; L108-H174 PolarHBondContact O-NE2 2.95Å; Y126-H174 AromaticContact CE2-CE1 3.7Å; Y126-H174 AromaticContact CE2-ND1 3.83Å; Y126-H174 AromaticContact CZ-ND1 3.8Å; Y126-H174 PolarHBondContact OH-ND1 3.12Å; S170-H174 WeakPolarHBondContact O-CB 3.28Å; S170-H174 PolarHBondContact O-N 2.98Å; W171-H174 WeakPolarHBondContact O-CB 3.44Å; W171-H174 PolarHBondContact O-N 2.75Å; H174-K176 PolarHBondContact O-N 3.26Å; H174-S177 PolarHBondContact O-N 2.99Å; H174-W178 AromaticContact CE1-CD1 3.5Å; H174-W178 VanDerWaalsContact CE1-CD1 3.5Å; H174-W178 AromaticContact CE1-NE1 3.46Å; H174-W178 PolarHBondContact CE1-NE1 3.5Å; H174-W178 AromaticContact ND1-CD1 3.53Å; H174-W178 AromaticContact ND1-NE1 3.97Å; H174-W178 AromaticContact NE2-NE1 3.93Å; H174-W178 PolarHBondContact O-N 3.12Å; H174-W178 VanDerWaalsContact O-N 3.12Å
175V98.8Very high96.5Very high0 Ų049.5 Ų49.50%024%0.24CC..Hα-helixtrans-66.7-37-179.6-60.40000112.3Y126 W171 K173 W179 M283 L288 F290Y126-V175 WeakPolarHBondContact OH-CG1 3.35Å; W171-V175 HydrophobicContact CD2-CG1 4.2Å; W171-V175 HydrophobicContact CD2-CG2 4.34Å; W171-V175 HydrophobicContact CE3-CG2 4.19Å; W171-V175 HydrophobicContact CH2-CG2 3.87Å; W171-V175 HydrophobicContact CZ2-CG1 3.87Å; W171-V175 HydrophobicContact CZ2-CG2 4.06Å; W171-V175 HydrophobicContact CZ3-CG2 3.94Å; W171-V175 WeakPolarHBondContact O-CG2 3.48Å; W171-V175 PolarHBondContact O-N 2.82Å; K173-V175 PolarHBondContact O-N 2.78Å; V175-W179 WeakPolarHBondContact O-CB 3.4Å; V175-W179 PolarHBondContact O-N 3.04Å; V175-M283 HydrophobicContact CG2-CE 3.97Å; V175-L288 HydrophobicContact CB-CD2 3.89Å; V175-L288 HydrophobicContact CG2-CD2 3.84Å; V175-F290 HydrophobicContact CB-CZ 4.22Å; V175-F290 HydrophobicContact CG1-CZ 4.16Å; V175-F290 HydrophobicContact CG2-CE2 4.21Å; V175-F290 HydrophobicContact CG2-CZ 4.33Å
176K98.8Very high96.5Very high49 Ų4949.9 Ų49.921%0.21324%0.24CC..Hα-helixtrans-68-40178.1-74.6-173.4-63.3-176.70112.1Y172 K173 H174 W179 K180 Q282 M283Y172-K176 VanDerWaalsContact O-CB 3.31Å; Y172-K176 WeakPolarHBondContact O-CB 3.49Å; Y172-K176 WeakPolarHBondContact O-CE 3.37Å; Y172-K176 VanDerWaalsContact O-CG 3.22Å; Y172-K176 WeakPolarHBondContact O-CG 3.17Å; Y172-K176 PolarHBondContact O-N 2.92Å; K173-K176 PolarHBondContact O-N 2.76Å; H174-K176 PolarHBondContact O-N 3.26Å; K176-W179 PolarHBondContact O-N 2.88Å; K176-K180 WeakPolarHBondContact O-CG 3.48Å; K176-K180 PolarHBondContact O-N 2.92Å; K176-Q282 PolarHBondContact NZ-O 3.41Å; K176-M283 HydrophobicContact CD-CE 4.4Å; K176-M283 HydrophobicContact CD-SD 3.83Å; K176-M283 HydrophobicContact CG-CE 3.98Å; K176-M283 HydrophobicContact CG-SD 3.95Å
177S98.3Very high96.5Very high20 Ų2050.6 Ų50.614%0.1424%0.243CC..Hα-helixtrans-65.6-45.6177.8-77.10000111.3E111 K173 H174 W179 K180 K181E111-S177 WeakPolarHBondContact OE1-CB 3.39Å; E111-S177 PolarHBondContact OE1-OG 2.77Å; K173-S177 WeakPolarHBondContact O-CB 3.07Å; K173-S177 PolarHBondContact O-N 3.27Å; K173-S177 PolarHBondContact O-OG 2.97Å; H174-S177 PolarHBondContact O-N 2.99Å; S177-W179 PolarHBondContact O-N 3.46Å; S177-K180 PolarHBondContact O-N 3.44Å; S177-K181 WeakPolarHBondContact O-CG 3.46Å
178W98.6Very high96.5Very high0 Ų051.7 Ų51.70%025%0.249CC..Hα-helixtrans-64.5-38.4174-82.4110.4000112.7A43 L108 P110 L113 W118 I124 Y126 H174 K180 K181 E182 I187 F189A43-W178 HydrophobicContact CB-CH2 3.84Å; A43-W178 HydrophobicContact CB-CZ2 3.49Å; A43-W178 VanDerWaalsContact CB-CZ2 3.49Å; L108-W178 PolarHBondContact O-NE1 2.84Å; P110-W178 HydrophobicContact CB-CD2 4.01Å; P110-W178 HydrophobicContact CB-CE3 4.2Å; P110-W178 HydrophobicContact CB-CH2 4.16Å; P110-W178 HydrophobicContact CB-CZ2 3.96Å; P110-W178 HydrophobicContact CB-CZ3 4.27Å; P110-W178 HydrophobicContact CG-CD2 4.17Å; P110-W178 HydrophobicContact CG-CG 4.25Å; L113-W178 HydrophobicContact CD2-CH2 4.13Å; W118-W178 AromaticContact CH2-CH2 4Å; W118-W178 HydrophobicContact CH2-CH2 4Å; W118-W178 AromaticContact CH2-CZ3 3.88Å; W118-W178 HydrophobicContact CH2-CZ3 3.88Å; W118-W178 HydrophobicContact CZ2-CH2 4.34Å; I124-W178 HydrophobicContact CD1-CH2 3.99Å; I124-W178 HydrophobicContact CD1-CZ3 3.95Å; I124-W178 HydrophobicContact CG2-CH2 3.88Å; I124-W178 HydrophobicContact CG2-CZ3 3.73Å; Y126-W178 HydrophobicContact CD1-CB 3.88Å; Y126-W178 HydrophobicContact CD1-CG 4.34Å; Y126-W178 HydrophobicContact CD2-CB 3.77Å; Y126-W178 AromaticContact CD2-CD1 3.55Å; Y126-W178 AromaticContact CD2-CD2 3.47Å; Y126-W178 HydrophobicContact CD2-CD2 3.47Å; Y126-W178 VanDerWaalsContact CD2-CD2 3.47Å; Y126-W178 AromaticContact CD2-CE2 3.82Å; Y126-W178 HydrophobicContact CD2-CE3 4.09Å; Y126-W178 AromaticContact CD2-CG 3.31Å; Y126-W178 HydrophobicContact CD2-CG 3.31Å; Y126-W178 AromaticContact CD2-NE1 3.8Å; Y126-W178 HydrophobicContact CE1-CB 3.74Å; Y126-W178 HydrophobicContact CE1-CG 4.23Å; Y126-W178 HydrophobicContact CE2-CB 3.7Å; Y126-W178 AromaticContact CE2-CD1 3.02Å; Y126-W178 AromaticContact CE2-CD2 3.84Å; Y126-W178 HydrophobicContact CE2-CD2 3.84Å; Y126-W178 AromaticContact CE2-CG 3.23Å; Y126-W178 HydrophobicContact CE2-CG 3.23Å; Y126-W178 AromaticContact CE2-NE1 3.49Å; Y126-W178 HydrophobicContact CG-CB 3.85Å; Y126-W178 HydrophobicContact CG-CD2 4.1Å; Y126-W178 HydrophobicContact CG-CE3 4.38Å; Y126-W178 AromaticContact CG-CG 3.89Å; Y126-W178 HydrophobicContact CG-CG 3.89Å; Y126-W178 AromaticContact CZ-CD1 3.57Å; Y126-W178 AromaticContact CZ-CG 3.7Å; H174-W178 AromaticContact CE1-CD1 3.5Å; H174-W178 VanDerWaalsContact CE1-CD1 3.5Å; H174-W178 AromaticContact CE1-NE1 3.46Å; H174-W178 PolarHBondContact CE1-NE1 3.5Å; H174-W178 AromaticContact ND1-CD1 3.53Å; H174-W178 AromaticContact ND1-NE1 3.97Å; H174-W178 AromaticContact NE2-NE1 3.93Å; H174-W178 PolarHBondContact O-N 3.12Å; H174-W178 VanDerWaalsContact O-N 3.12Å; W178-K180 VanDerWaalsContact C-N 3.31Å; W178-K180 PolarHBondContact O-N 2.87Å; W178-K181 WeakPolarHBondContact O-CA 3.35Å; W178-K181 WeakPolarHBondContact O-CB 3.21Å; W178-K181 PolarHBondContact O-N 2.95Å; W178-E182 PolarHBondContact O-N 3.03Å; W178-I187 HydrophobicContact CZ3-CD1 4.45Å; W178-F189 HydrophobicContact CB-CE2 4.18Å
179W98.3Very high96.5Very high58 Ų5852.2 Ų52.222%0.2225%0.251CS..Hα-helixtrans-62.3-35.9176.3-176.4-115.4000112.9V175 K176 S177 K181 E182 F189 F191 T287 L288V175-W179 WeakPolarHBondContact O-CB 3.4Å; V175-W179 PolarHBondContact O-N 3.04Å; K176-W179 PolarHBondContact O-N 2.88Å; S177-W179 PolarHBondContact O-N 3.46Å; W179-K181 PolarHBondContact O-N 3.01Å; W179-E182 HydrophobicContact CE3-CB 4.15Å; W179-E182 HydrophobicContact CE3-CG 4.16Å; W179-E182 HydrophobicContact CZ3-CB 4.47Å; W179-E182 HydrophobicContact CZ3-CG 3.99Å; W179-E182 VanDerWaalsContact O-CB 3.31Å; W179-E182 WeakPolarHBondContact O-CB 3.46Å; W179-E182 PolarHBondContact O-N 2.99Å; W179-F189 HydrophobicContact CB-CE2 3.97Å; W179-F189 HydrophobicContact CB-CZ 4.38Å; W179-F189 HydrophobicContact CE3-CB 4.45Å; W179-F189 AromaticContact CE3-CD1 3.75Å; W179-F189 HydrophobicContact CE3-CD1 3.75Å; W179-F189 AromaticContact CE3-CD2 3.71Å; W179-F189 HydrophobicContact CE3-CD2 3.71Å; W179-F189 AromaticContact CE3-CE1 3.79Å; W179-F189 HydrophobicContact CE3-CE1 3.79Å; W179-F189 AromaticContact CE3-CE2 3.74Å; W179-F189 HydrophobicContact CE3-CE2 3.74Å; W179-F189 AromaticContact CE3-CG 3.72Å; W179-F189 HydrophobicContact CE3-CG 3.72Å; W179-F189 AromaticContact CE3-CZ 3.78Å; W179-F189 HydrophobicContact CE3-CZ 3.78Å; W179-F189 HydrophobicContact CZ3-CB 4.3Å; W179-F189 AromaticContact CZ3-CD1 3.73Å; W179-F189 HydrophobicContact CZ3-CD1 3.73Å; W179-F189 HydrophobicContact CZ3-CD2 4.35Å; W179-F189 HydrophobicContact CZ3-CE1 4.06Å; W179-F189 AromaticContact CZ3-CG 3.89Å; W179-F189 HydrophobicContact CZ3-CG 3.89Å; W179-F191 HydrophobicContact CZ3-CZ 4.34Å; W179-T287 PolarHBondContact NE1-OG1 3.09Å; W179-L288 HydrophobicContact CB-CD2 4.1Å; W179-L288 HydrophobicContact CD2-CB 4.11Å; W179-L288 HydrophobicContact CD2-CD1 3.79Å; W179-L288 HydrophobicContact CD2-CG 4.4Å; W179-L288 HydrophobicContact CE3-CD1 3.75Å; W179-L288 HydrophobicContact CG-CB 3.91Å; W179-L288 HydrophobicContact CG-CD1 4.24Å; W179-L288 HydrophobicContact CG-CD2 4.27Å; W179-L288 HydrophobicContact CG-CG 4.38Å; W179-L288 HydrophobicContact CH2-CD1 4.47Å; W179-L288 HydrophobicContact CZ3-CD1 4.11Å
180K96.7Very high96.6Very high162 Ų16251.9 Ų51.970%0.70425%0.248SC*.Hα-helixtrans-64-24.2173.8-72.2172.1-177.7-179.10113K176 S177 W178K176-K180 WeakPolarHBondContact O-CG 3.48Å; K176-K180 PolarHBondContact O-N 2.92Å; S177-K180 PolarHBondContact O-N 3.44Å; W178-K180 VanDerWaalsContact C-N 3.31Å; W178-K180 PolarHBondContact O-N 2.87Å
181K93.2Very high96.6Very high93 Ų9352.4 Ų52.440%0.40425%0.248SC..Hα-helixtrans-86.6-19179-59.3-75.2-173.4169.20112.7P110 S177 W178 W179 K183 S184 I187P110-K181 HydrophobicContact CB-CG 4.33Å; S177-K181 WeakPolarHBondContact O-CG 3.46Å; W178-K181 WeakPolarHBondContact O-CA 3.35Å; W178-K181 WeakPolarHBondContact O-CB 3.21Å; W178-K181 PolarHBondContact O-N 2.95Å; W179-K181 PolarHBondContact O-N 3.01Å; K181-K183 PolarHBondContact O-N 3.15Å; K181-K183 VanDerWaalsContact O-N 3.08Å; K181-S184 WeakPolarHBondContact O-CB 3.48Å; K181-S184 PolarHBondContact O-N 3.16Å; K181-I187 HydrophobicContact CB-CD1 3.57Å
182E87.4Confident96.6Very high72 Ų7253 Ų5334%0.33625%0.25SS..THydrogen-bonded Turntrans-55.6-27.1-176.5-177.7-83.7167.800114.2W178 W179 S184 F189W178-E182 PolarHBondContact O-N 3.03Å; W179-E182 HydrophobicContact CE3-CB 4.15Å; W179-E182 HydrophobicContact CE3-CG 4.16Å; W179-E182 HydrophobicContact CZ3-CB 4.47Å; W179-E182 HydrophobicContact CZ3-CG 3.99Å; W179-E182 VanDerWaalsContact O-CB 3.31Å; W179-E182 WeakPolarHBondContact O-CB 3.46Å; W179-E182 PolarHBondContact O-N 2.99Å; E182-S184 PolarHBondContact O-N 3.29Å; E182-F189 HydrophobicContact CB-CB 4.06Å; E182-F189 HydrophobicContact CB-CD2 4.25Å; E182-F189 HydrophobicContact CB-CG 4.49Å; E182-F189 HydrophobicContact CG-CB 3.4Å; E182-F189 HydrophobicContact CG-CD2 4.44Å; E182-F189 HydrophobicContact CG-CG 4.18Å
183K87.2Confident96.6Very high189 Ų18953.1 Ų53.182%0.82225%0.25SS*.THydrogen-bonded Turntrans-58.6-17174.6-62.5-174.6179.8-176.90113.9K181K181-K183 PolarHBondContact O-N 3.15Å; K181-K183 VanDerWaalsContact O-N 3.08Å
184S91.8Very high96.6Very high42 Ų4247.9 Ų47.929%0.29423%0.229SC..SBendtrans-74.3128.4173.1179.10000110.4K181 E182 R186 I187K181-S184 WeakPolarHBondContact O-CB 3.48Å; K181-S184 PolarHBondContact O-N 3.16Å; E182-S184 PolarHBondContact O-N 3.29Å; S184-R186 PolarHBondContact O-N 3.48Å; S184-R186 PolarHBondContact OG-N 2.98Å; S184-I187 PolarHBondContact O-N 3.08Å
185P92.9Very high96.6Very high121 Ų12147.8 Ų47.879%0.78623%0.229SC*.THydrogen-bonded Turntrans-65-8.4175.929.5-36.3000113.3
186R97.1Very high96.6Very high63 Ų6351.5 Ų51.524%0.23825%0.245CC..THydrogen-bonded Turntrans-88.9-2.8175.8-62.2-69.4-71.4179.3-4.8113.1N121 K123 I124 S184 F209N121-R186 PolarHBondContact O-NE 2.74Å; N121-R186 PolarHBondContact O-NH2 3.11Å; K123-R186 WeakPolarHBondContact CA-O 3.07Å; I124-R186 PolarHBondContact N-O 3.24Å; S184-R186 PolarHBondContact O-N 3.48Å; S184-R186 PolarHBondContact OG-N 2.98Å; R186-F209 WeakPolarHBondContact O-CZ 3.4Å
187I98.3Very high96.6Very high14 Ų1454.4 Ų54.47%0.07226%0.259CS..EExtended strand (participates in β ladder)trans-120.8115.3-178.8-55.3-176.9000109W118 I124 W178 K181 S184W118-I187 HydrophobicContact CH2-CD1 4.48Å; W118-I187 HydrophobicContact CZ3-CD1 4.07Å; I124-I187 HydrophobicContact CB-CG1 4.16Å; I124-I187 HydrophobicContact CB-CG2 4.47Å; I124-I187 HydrophobicContact CD1-CD1 4.43Å; I124-I187 HydrophobicContact CD1-CG1 4.46Å; I124-I187 HydrophobicContact CG1-CG1 4.48Å; I124-I187 CarbonylContact O-C 3.57Å; I124-I187 VanDerWaalsContact O-CA 3.28Å; I124-I187 WeakPolarHBondContact O-CA 3.37Å; W178-I187 HydrophobicContact CZ3-CD1 4.45Å; K181-I187 HydrophobicContact CB-CD1 3.57Å; S184-I187 PolarHBondContact O-N 3.08Å
188L98.7Very high96.6Very high23 Ų2356.9 Ų56.912%0.1227%0.271CS..EExtended strand (participates in β ladder)trans-94.3111.2172.4-176.866.8000109.4I124 I125 Y126 L190 K205 L206 F209I124-L188 PolarHBondContact O-N 3.23Å; I125-L188 WeakPolarHBondContact CA-O 3.44Å; I125-L188 HydrophobicContact CG1-CB 4.39Å; I125-L188 HydrophobicContact CG1-CD2 4.45Å; Y126-L188 PolarHBondContact N-O 2.93Å; L188-L190 HydrophobicContact CD1-CD2 4.21Å; L188-L190 HydrophobicContact CD2-CD1 4.05Å; L188-L190 HydrophobicContact CD2-CD2 3.97Å; L188-L190 HydrophobicContact CD2-CG 4.13Å; L188-L190 HydrophobicContact CG-CD1 4.43Å; L188-L190 HydrophobicContact CG-CD2 3.85Å; L188-L190 HydrophobicContact CG-CG 3.99Å; L188-K205 HydrophobicContact CD1-CD 4.11Å; L188-K205 HydrophobicContact CD1-CG 4.05Å; L188-K205 HydrophobicContact CD2-CG 4.44Å; L188-L206 HydrophobicContact CD2-CD2 3.68Å; L188-L206 HydrophobicContact CD2-CG 4.14Å; L188-F209 HydrophobicContact CB-CD1 3.89Å; L188-F209 HydrophobicContact CB-CD2 3.81Å; L188-F209 HydrophobicContact CB-CE1 3.86Å; L188-F209 HydrophobicContact CB-CE2 3.77Å; L188-F209 HydrophobicContact CB-CG 3.86Å; L188-F209 HydrophobicContact CB-CZ 3.79Å; L188-F209 HydrophobicContact CD1-CD2 4.48Å; L188-F209 HydrophobicContact CD2-CB 3.84Å; L188-F209 HydrophobicContact CD2-CD1 3.92Å; L188-F209 HydrophobicContact CD2-CD2 4.48Å; L188-F209 HydrophobicContact CD2-CG 3.82Å; L188-F209 HydrophobicContact CG-CD2 4.49Å; L188-F209 HydrophobicContact CG-CG 4.3Å
189F98.8Very high96.6Very high15 Ų1558.7 Ų58.77%0.06628%0.28CS..EExtended strand (participates in β ladder)trans-92.8125175.1-161.3-73.4000110.5Y126 S128 W178 W179 E182 F191 L288Y126-F189 HydrophobicContact CD1-CD1 4.45Å; Y126-F189 AromaticContact CD1-CD2 3.41Å; Y126-F189 HydrophobicContact CD1-CD2 3.41Å; Y126-F189 VanDerWaalsContact CD1-CD2 3.41Å; Y126-F189 HydrophobicContact CD1-CE1 4.24Å; Y126-F189 AromaticContact CD1-CE2 3.14Å; Y126-F189 HydrophobicContact CD1-CE2 3.14Å; Y126-F189 HydrophobicContact CD1-CG 4.08Å; Y126-F189 AromaticContact CD1-CZ 3.61Å; Y126-F189 HydrophobicContact CD1-CZ 3.61Å; Y126-F189 HydrophobicContact CE1-CD2 4.13Å; Y126-F189 HydrophobicContact CE1-CE1 4.43Å; Y126-F189 AromaticContact CE1-CE2 3.37Å; Y126-F189 HydrophobicContact CE1-CE2 3.37Å; Y126-F189 AromaticContact CE1-CZ 3.55Å; Y126-F189 HydrophobicContact CE1-CZ 3.55Å; Y126-F189 HydrophobicContact CG-CD2 4.19Å; Y126-F189 HydrophobicContact CG-CE2 4.21Å; Y126-F189 CarbonylContact O-C 3.58Å; Y126-F189 WeakPolarHBondContact O-CA 3.31Å; S128-F189 VanDerWaalsContact OG-CE1 3.3Å; S128-F189 WeakPolarHBondContact OG-CE1 3.49Å; W178-F189 HydrophobicContact CB-CE2 4.18Å; W179-F189 HydrophobicContact CB-CE2 3.97Å; W179-F189 HydrophobicContact CB-CZ 4.38Å; W179-F189 HydrophobicContact CE3-CB 4.45Å; W179-F189 AromaticContact CE3-CD1 3.75Å; W179-F189 HydrophobicContact CE3-CD1 3.75Å; W179-F189 AromaticContact CE3-CD2 3.71Å; W179-F189 HydrophobicContact CE3-CD2 3.71Å; W179-F189 AromaticContact CE3-CE1 3.79Å; W179-F189 HydrophobicContact CE3-CE1 3.79Å; W179-F189 AromaticContact CE3-CE2 3.74Å; W179-F189 HydrophobicContact CE3-CE2 3.74Å; W179-F189 AromaticContact CE3-CG 3.72Å; W179-F189 HydrophobicContact CE3-CG 3.72Å; W179-F189 AromaticContact CE3-CZ 3.78Å; W179-F189 HydrophobicContact CE3-CZ 3.78Å; W179-F189 HydrophobicContact CZ3-CB 4.3Å; W179-F189 AromaticContact CZ3-CD1 3.73Å; W179-F189 HydrophobicContact CZ3-CD1 3.73Å; W179-F189 HydrophobicContact CZ3-CD2 4.35Å; W179-F189 HydrophobicContact CZ3-CE1 4.06Å; W179-F189 AromaticContact CZ3-CG 3.89Å; W179-F189 HydrophobicContact CZ3-CG 3.89Å; E182-F189 HydrophobicContact CB-CB 4.06Å; E182-F189 HydrophobicContact CB-CD2 4.25Å; E182-F189 HydrophobicContact CB-CG 4.49Å; E182-F189 HydrophobicContact CG-CB 3.4Å; E182-F189 HydrophobicContact CG-CD2 4.44Å; E182-F189 HydrophobicContact CG-CG 4.18Å; F189-F191 AromaticContact CD1-CE2 3.97Å; F189-F191 HydrophobicContact CD1-CE2 3.97Å; F189-F191 AromaticContact CD1-CZ 3.95Å; F189-F191 HydrophobicContact CD1-CZ 3.95Å; F189-F191 HydrophobicContact CE1-CD1 4.48Å; F189-F191 AromaticContact CE1-CE1 3.87Å; F189-F191 HydrophobicContact CE1-CE1 3.87Å; F189-F191 HydrophobicContact CE1-CE2 4.12Å; F189-F191 AromaticContact CE1-CZ 3.65Å; F189-F191 HydrophobicContact CE1-CZ 3.65Å; F189-L288 HydrophobicContact CE1-CD1 3.88Å; F189-L288 HydrophobicContact CZ-CD1 3.96Å; F189-L288 HydrophobicContact CZ-CD2 4.19Å
190L98.9Very high96.6Very high0 Ų060 Ų600%029%0.285CS..EExtended strand (participates in β ladder)trans-124.1160.6-177.1-60177.8000111.3V53 I125 Y126 L127 S128 L188 L195 K205 L206V53-L190 HydrophobicContact CG2-CD1 4.42Å; I125-L190 HydrophobicContact CG2-CD1 3.87Å; Y126-L190 PolarHBondContact O-N 3.45Å; L127-L190 HydrophobicContact CD1-CB 3.68Å; S128-L190 PolarHBondContact N-O 3.48Å; S128-L190 PolarHBondContact OG-O 2.95Å; L188-L190 HydrophobicContact CD1-CD2 4.21Å; L188-L190 HydrophobicContact CD2-CD1 4.05Å; L188-L190 HydrophobicContact CD2-CD2 3.97Å; L188-L190 HydrophobicContact CD2-CG 4.13Å; L188-L190 HydrophobicContact CG-CD1 4.43Å; L188-L190 HydrophobicContact CG-CD2 3.85Å; L188-L190 HydrophobicContact CG-CG 3.99Å; L190-L195 HydrophobicContact CB-CD1 4.31Å; L190-L195 HydrophobicContact CD1-CD1 4.5Å; L190-K205 HydrophobicContact CD2-CD 4.11Å; L190-L206 HydrophobicContact CD1-CD1 4.02Å; L190-L206 HydrophobicContact CD1-CD2 3.88Å; L190-L206 HydrophobicContact CD1-CG 3.98Å
191F98.9Very high96.7Very high34 Ų3458.1 Ų58.115%0.14928%0.277CS..EExtended strand (participates in β ladder)trans-119.6132.4174.3-60.5-93.3000109.5S128 W179 F189 E193 D194 L195 L288 K289 F290S128-F191 CarbonylContact O-C 3.59Å; S128-F191 WeakPolarHBondContact OG-CD1 3.48Å; W179-F191 HydrophobicContact CZ3-CZ 4.34Å; F189-F191 AromaticContact CD1-CE2 3.97Å; F189-F191 HydrophobicContact CD1-CE2 3.97Å; F189-F191 AromaticContact CD1-CZ 3.95Å; F189-F191 HydrophobicContact CD1-CZ 3.95Å; F189-F191 HydrophobicContact CE1-CD1 4.48Å; F189-F191 AromaticContact CE1-CE1 3.87Å; F189-F191 HydrophobicContact CE1-CE1 3.87Å; F189-F191 HydrophobicContact CE1-CE2 4.12Å; F189-F191 AromaticContact CE1-CZ 3.65Å; F189-F191 HydrophobicContact CE1-CZ 3.65Å; F191-E193 PolarHBondContact O-N 3.29Å; F191-D194 HydrophobicContact CB-CB 4.22Å; F191-D194 WeakPolarHBondContact CD2-OD2 3.39Å; F191-D194 PolarHBondContact O-N 3.23Å; F191-L195 WeakPolarHBondContact O-CD1 3.2Å; F191-L195 PolarHBondContact O-N 3.29Å; F191-L288 HydrophobicContact CE1-CD1 3.57Å; F191-L288 HydrophobicContact CZ-CD1 3.54Å; F191-K289 WeakPolarHBondContact CE1-O 3.05Å; F191-F290 HydrophobicContact CD1-CD1 4.01Å; F191-F290 AromaticContact CD1-CE1 3.92Å; F191-F290 HydrophobicContact CD1-CE1 3.92Å; F191-F290 HydrophobicContact CE1-CD1 4.18Å; F191-F290 AromaticContact CE1-CE1 3.99Å; F191-F290 HydrophobicContact CE1-CE1 3.99Å; F191-F290 HydrophobicContact CE1-CZ 4.37Å
192Y98.9Very high97Very high13 Ų1353.7 Ų53.75%0.05126%0.258CS..Hα-helixtrans-54.8-36.9173.6178-90.6000110.8W52 S128 R129 D194 L195 K196 G258W52-Y192 AromaticContact CE3-CD2 3.88Å; W52-Y192 HydrophobicContact CE3-CD2 3.88Å; W52-Y192 AromaticContact CE3-CE2 3.48Å; W52-Y192 HydrophobicContact CE3-CE2 3.48Å; W52-Y192 VanDerWaalsContact CE3-CE2 3.48Å; W52-Y192 AromaticContact CZ3-CD2 3.98Å; W52-Y192 HydrophobicContact CZ3-CD2 3.98Å; W52-Y192 AromaticContact CZ3-CE2 3.59Å; W52-Y192 HydrophobicContact CZ3-CE2 3.59Å; W52-Y192 AromaticContact CZ3-CZ 3.99Å; S128-Y192 WeakPolarHBondContact O-CB 3.31Å; S128-Y192 PolarHBondContact O-N 2.84Å; R129-Y192 HydrophobicContact CB-CG 4.38Å; R129-Y192 HydrophobicContact CG-CD1 4Å; R129-Y192 HydrophobicContact CG-CG 3.94Å; Y192-D194 VanDerWaalsContact C-N 3.33Å; Y192-D194 PolarHBondContact O-N 2.95Å; Y192-L195 PolarHBondContact O-N 2.66Å; Y192-K196 HydrophobicContact CD1-CG 3.88Å; Y192-K196 HydrophobicContact CE1-CD 3.96Å; Y192-K196 HydrophobicContact CE1-CG 3.43Å; Y192-K196 VanDerWaalsContact CE1-CG 3.43Å; Y192-K196 WeakPolarHBondContact O-CG 3.46Å; Y192-K196 PolarHBondContact O-N 2.77Å; Y192-G258 WeakPolarHBondContact OH-CA 3.47Å; Y192-G258 PolarHBondContact OH-O 3.41Å
193E98.9Very high97.5Very high1 Ų150.3 Ų50.31%0.00524%0.242CC..Hα-helixtrans-65.3-35.9179-63.476.3-16300112.5R129 N130 F191 K196 E197 T260 R291 I294R129-E193 WeakPolarHBondContact CG-OE1 3.15Å; N130-E193 WeakPolarHBondContact CB-OE1 3.49Å; N130-E193 PolarHBondContact N-OE1 2.91Å; N130-E193 PolarHBondContact ND2-OE1 3.49Å; F191-E193 PolarHBondContact O-N 3.29Å; E193-K196 WeakPolarHBondContact O-CB 3.34Å; E193-K196 PolarHBondContact O-N 3.21Å; E193-E197 WeakPolarHBondContact O-CB 3.4Å; E193-E197 PolarHBondContact O-N 3.45Å; E193-T260 HydrophobicContact CG-CG2 3.75Å; E193-R291 HydrophobicContact CG-CB 4.43Å; E193-R291 WeakPolarHBondContact CG-O 3.38Å; E193-I294 HydrophobicContact CB-CD1 4.04Å; E193-I294 HydrophobicContact CB-CG1 4.24Å; E193-I294 HydrophobicContact CG-CD1 4.48Å; E193-I294 VanDerWaalsContact O-CD1 3.23Å; E193-I294 WeakPolarHBondContact O-CD1 3.2Å
194D98.9Very high98.1Very high34 Ų3443.6 Ų43.618%0.18221%0.214CC..Hα-helixtrans-68.8-40.4175.5-63.2-0.8000110.7F191 Y192 K196 E197 D198 E202 R291F191-D194 HydrophobicContact CB-CB 4.22Å; F191-D194 WeakPolarHBondContact CD2-OD2 3.39Å; F191-D194 PolarHBondContact O-N 3.23Å; Y192-D194 VanDerWaalsContact C-N 3.33Å; Y192-D194 PolarHBondContact O-N 2.95Å; D194-K196 PolarHBondContact O-N 3.27Å; D194-E197 PolarHBondContact O-N 3.24Å; D194-D198 PolarHBondContact O-N 3.32Å; D194-E202 HydrophobicContact CB-CG 4.03Å; D194-R291 IonicContact OD1-CZ 3.19Å; D194-R291 IonicContact OD1-NE 2.62Å; D194-R291 IonicContact OD1-NH2 2.8Å; D194-R291 PolarHBondContact OD1-NH2 3.07Å
195L98.8Very high98.4Very high1 Ų144.7 Ų44.71%0.00521%0.214CC..Hα-helixtrans-62.2-33174.3-85.476000111.7W52 I56 L127 L190 F191 Y192 I199 E202W52-L195 HydrophobicContact CD2-CD2 4.2Å; W52-L195 HydrophobicContact CE3-CB 4.28Å; W52-L195 HydrophobicContact CE3-CD2 4.05Å; W52-L195 HydrophobicContact CH2-CB 3.67Å; W52-L195 WeakPolarHBondContact CH2-O 3.45Å; W52-L195 HydrophobicContact CZ2-CB 4.37Å; W52-L195 HydrophobicContact CZ3-CB 3.63Å; W52-L195 HydrophobicContact CZ3-CD2 4.24Å; I56-L195 HydrophobicContact CD1-CD2 4Å; L127-L195 HydrophobicContact CD1-CD1 3.99Å; L190-L195 HydrophobicContact CB-CD1 4.31Å; L190-L195 HydrophobicContact CD1-CD1 4.5Å; F191-L195 WeakPolarHBondContact O-CD1 3.2Å; F191-L195 PolarHBondContact O-N 3.29Å; Y192-L195 PolarHBondContact O-N 2.66Å; L195-I199 HydrophobicContact CB-CD1 4.26Å; L195-I199 HydrophobicContact CD2-CD1 4.46Å; L195-I199 HydrophobicContact CG-CD1 4.25Å; L195-I199 WeakPolarHBondContact O-CA 3.47Å; L195-I199 WeakPolarHBondContact O-CB 3.26Å; L195-I199 PolarHBondContact O-N 3.32Å; L195-E202 HydrophobicContact CD1-CB 4.02Å; L195-E202 HydrophobicContact CD1-CG 4.04Å; L195-E202 HydrophobicContact CG-CB 3.98Å; L195-E202 HydrophobicContact CG-CG 4.25Å
196K98.7Very high98.7Very high78 Ų7838.9 Ų38.934%0.33918%0.176SC..Hα-helixtrans-75.4-36.6177.3-77.1-59-50.1-176.90112.7W52 Y192 E193 D194 G258 I294W52-K196 HydrophobicContact CH2-CD 3.63Å; W52-K196 HydrophobicContact CH2-CG 4.15Å; W52-K196 HydrophobicContact CZ3-CD 3.71Å; W52-K196 HydrophobicContact CZ3-CG 4Å; Y192-K196 HydrophobicContact CD1-CG 3.88Å; Y192-K196 HydrophobicContact CE1-CD 3.96Å; Y192-K196 HydrophobicContact CE1-CG 3.43Å; Y192-K196 VanDerWaalsContact CE1-CG 3.43Å; Y192-K196 WeakPolarHBondContact O-CG 3.46Å; Y192-K196 PolarHBondContact O-N 2.77Å; E193-K196 WeakPolarHBondContact O-CB 3.34Å; E193-K196 PolarHBondContact O-N 3.21Å; D194-K196 PolarHBondContact O-N 3.27Å; K196-G258 WeakPolarHBondContact CE-O 3.44Å; K196-G258 PolarHBondContact NZ-O 3.09Å; K196-I294 HydrophobicContact CB-CD1 3.23Å; K196-I294 HydrophobicContact CG-CD1 4.16Å
197E98.7Very high98.8Very high109 Ų10935.9 Ų35.951%0.50917%0.165SC..Hα-helixtrans-76.4-48.5-178.6-178.1178.5-130.800112.2E193 D194 R291 I294E193-E197 WeakPolarHBondContact O-CB 3.4Å; E193-E197 PolarHBondContact O-N 3.45Å; D194-E197 PolarHBondContact O-N 3.24Å; E197-R291 IonicContact OE1-CZ 3.88Å; E197-R291 IonicContact OE1-NH1 3.63Å; E197-R291 PolarHBondContact OE1-NH1 3.32Å; E197-R291 IonicContact OE2-CZ 2.67Å; E197-R291 IonicContact OE2-NH1 3.96Å; E197-R291 PolarHBondContact OE2-NH1 3.47Å; E197-R291 IonicContact OE2-NH2 3.31Å; E197-R291 PolarHBondContact OE2-NH2 3.18Å; E197-I294 HydrophobicContact CB-CG2 3.75Å; E197-I294 HydrophobicContact CG-CG2 4.02Å
198D98.7Very high98.8Very high72 Ų7240.5 Ų40.539%0.38519%0.186SC..  trans-14479.7-178-173.1-11.1000110.8D194 R200 K201 E202D194-D198 PolarHBondContact O-N 3.32Å; D198-R200 PolarHBondContact O-N 3.21Å; D198-R200 PolarHBondContact OD1-N 3.26Å; D198-K201 HydrophobicContact CB-CB 4.15Å; D198-K201 VanDerWaalsContact CG-CB 3.43Å; D198-K201 PolarHBondContact O-N 3.44Å; D198-K201 PolarHBondContact OD1-N 3.01Å; D198-K201 WeakPolarHBondContact OD2-CB 3.41Å; D198-E202 WeakPolarHBondContact O-CG 3.42Å; D198-E202 PolarHBondContact O-N 2.86Å
199I98.7Very high98.8Very high39 Ų3940.9 Ų40.920%0.219%0.187CC..Hα-helixtrans-58.7-32.1179.7-17257.9000112.8W52 I56 L195 E202 V203 I223W52-I199 HydrophobicContact CH2-CD1 4.44Å; W52-I199 HydrophobicContact CZ2-CD1 3.8Å; W52-I199 HydrophobicContact CZ2-CG1 4.46Å; I56-I199 HydrophobicContact CD1-CD1 4.04Å; L195-I199 HydrophobicContact CB-CD1 4.26Å; L195-I199 HydrophobicContact CD2-CD1 4.46Å; L195-I199 HydrophobicContact CG-CD1 4.25Å; L195-I199 WeakPolarHBondContact O-CA 3.47Å; L195-I199 WeakPolarHBondContact O-CB 3.26Å; L195-I199 PolarHBondContact O-N 3.32Å; I199-E202 PolarHBondContact O-N 3.4Å; I199-V203 HydrophobicContact CD1-CG2 3.98Å; I199-V203 HydrophobicContact CG1-CG2 4.07Å; I199-V203 WeakPolarHBondContact O-CB 3.4Å; I199-V203 VanDerWaalsContact O-CG2 3.22Å; I199-V203 WeakPolarHBondContact O-CG2 3.31Å; I199-V203 PolarHBondContact O-N 3.38Å; I199-I223 HydrophobicContact CG1-CG1 4.25Å; I199-I223 HydrophobicContact CG2-CD1 4.35Å; I199-I223 HydrophobicContact CG2-CG1 4.08Å; I199-I223 HydrophobicContact CG2-CG2 3.86Å
200R98.8Very high98.8Very high86 Ų8640.7 Ų40.733%0.32519%0.186SC..Hα-helixtrans-65.7-48.6-178.6177.6176.4-69.7-87.1-2.4110.7D198 E202 V203 I204 E216 V219 D220 I223D198-R200 PolarHBondContact O-N 3.21Å; D198-R200 PolarHBondContact OD1-N 3.26Å; R200-E202 VanDerWaalsContact C-N 3.31Å; R200-E202 PolarHBondContact O-N 3.21Å; R200-V203 PolarHBondContact O-N 3.49Å; R200-I204 HydrophobicContact CG-CD1 3.87Å; R200-I204 WeakPolarHBondContact O-CG1 3.34Å; R200-I204 PolarHBondContact O-N 2.94Å; R200-E216 IonicContact CZ-OE2 3.82Å; R200-E216 IonicContact NH1-OE2 2.74Å; R200-E216 PolarHBondContact NH1-OE2 3.26Å; R200-V219 HydrophobicContact CG-CG1 3.97Å; R200-D220 IonicContact CZ-OD1 3.48Å; R200-D220 IonicContact NH1-OD1 3.49Å; R200-D220 PolarHBondContact NH1-OD1 3.49Å; R200-D220 IonicContact NH2-OD1 3.18Å; R200-D220 PolarHBondContact NH2-OD1 3.34Å; R200-I223 HydrophobicContact CB-CD1 3.8Å; R200-I223 HydrophobicContact CG-CD1 4.24Å
201K98.8Very high98.8Very high121 Ų12147.4 Ų47.453%0.52622%0.218SC..Hα-helixtrans-57.9-45.2176.6177.2-172.8174-166.70111.7D198 I204 K205D198-K201 HydrophobicContact CB-CB 4.15Å; D198-K201 VanDerWaalsContact CG-CB 3.43Å; D198-K201 PolarHBondContact O-N 3.44Å; D198-K201 PolarHBondContact OD1-N 3.01Å; D198-K201 WeakPolarHBondContact OD2-CB 3.41Å; K201-I204 PolarHBondContact O-N 3.05Å; K201-K205 WeakPolarHBondContact O-CB 3.36Å; K201-K205 PolarHBondContact O-N 3.06Å
202E98.9Very high98.7Very high1 Ų151 Ų511%0.00523%0.23CC..Hα-helixtrans-69.2-38.1-177.9-60.1-56.4113.100112.4D194 L195 D198 I199 R200 K205 L206D194-E202 HydrophobicContact CB-CG 4.03Å; L195-E202 HydrophobicContact CD1-CB 4.02Å; L195-E202 HydrophobicContact CD1-CG 4.04Å; L195-E202 HydrophobicContact CG-CB 3.98Å; L195-E202 HydrophobicContact CG-CG 4.25Å; D198-E202 WeakPolarHBondContact O-CG 3.42Å; D198-E202 PolarHBondContact O-N 2.86Å; I199-E202 PolarHBondContact O-N 3.4Å; R200-E202 VanDerWaalsContact C-N 3.31Å; R200-E202 PolarHBondContact O-N 3.21Å; E202-K205 PolarHBondContact O-N 3.13Å; E202-K205 WeakPolarHBondContact OE1-CE 3.23Å; E202-K205 IonicContact OE1-NZ 2.73Å; E202-K205 PolarHBondContact OE1-NZ 2.8Å; E202-K205 WeakPolarHBondContact OE2-CE 3.01Å; E202-K205 IonicContact OE2-NZ 2.88Å; E202-K205 PolarHBondContact OE2-NZ 3.16Å; E202-L206 PolarHBondContact O-N 2.92Å
203V98.9Very high98.7Very high0 Ų059.2 Ų59.20%027%0.266CS..Hα-helixtrans-63.8-46.4173.2166.80000111.3I56 I199 R200 K205 L206 I207 V219 I222 I223I56-V203 HydrophobicContact CG2-CG2 4.2Å; I199-V203 HydrophobicContact CD1-CG2 3.98Å; I199-V203 HydrophobicContact CG1-CG2 4.07Å; I199-V203 WeakPolarHBondContact O-CB 3.4Å; I199-V203 VanDerWaalsContact O-CG2 3.22Å; I199-V203 WeakPolarHBondContact O-CG2 3.31Å; I199-V203 PolarHBondContact O-N 3.38Å; R200-V203 PolarHBondContact O-N 3.49Å; V203-K205 VanDerWaalsContact C-N 3.31Å; V203-K205 PolarHBondContact O-N 3.32Å; V203-L206 WeakPolarHBondContact O-CB 3.29Å; V203-L206 PolarHBondContact O-N 3.45Å; V203-I207 HydrophobicContact CG1-CD1 3.77Å; V203-I207 HydrophobicContact CG1-CG1 4.37Å; V203-I207 VanDerWaalsContact O-CG1 3.31Å; V203-I207 WeakPolarHBondContact O-CG1 3.47Å; V203-I207 PolarHBondContact O-N 3.39Å; V203-V219 HydrophobicContact CG1-CG1 4.29Å; V203-V219 HydrophobicContact CG1-CG2 4.41Å; V203-I222 HydrophobicContact CB-CG2 4.46Å; V203-I222 HydrophobicContact CG1-CB 4.13Å; V203-I222 HydrophobicContact CG1-CD1 3.96Å; V203-I222 HydrophobicContact CG1-CG2 3.81Å; V203-I222 HydrophobicContact CG2-CG2 3.7Å; V203-I223 HydrophobicContact CG2-CG1 4.42Å
204I98.9Very high98.6Very high48 Ų4861.3 Ų61.325%0.24628%0.28CS..Hα-helixtrans-60.9-42.6177.6-70.3168.7000110.8R200 K201 L206 I207 H208 P214 V219R200-I204 HydrophobicContact CG-CD1 3.87Å; R200-I204 WeakPolarHBondContact O-CG1 3.34Å; R200-I204 PolarHBondContact O-N 2.94Å; K201-I204 PolarHBondContact O-N 3.05Å; I204-L206 PolarHBondContact O-N 2.93Å; I204-I207 PolarHBondContact O-N 3.31Å; I204-H208 PolarHBondContact O-CD2 2.82Å; I204-H208 PolarHBondContact O-N 3.5Å; I204-P214 HydrophobicContact CG1-CB 4.42Å; I204-P214 HydrophobicContact CG2-CB 4.43Å; I204-V219 HydrophobicContact CG1-CG1 4.34Å; I204-V219 HydrophobicContact CG1-CG2 3.87Å
205K98.8Very high98.6Very high65 Ų6562.6 Ų62.628%0.28329%0.292SS..Hα-helixtrans-59.5-43.8174.7172.4170.531.1166.30112L188 L190 K201 E202 V203 H208 F209L188-K205 HydrophobicContact CD1-CD 4.11Å; L188-K205 HydrophobicContact CD1-CG 4.05Å; L188-K205 HydrophobicContact CD2-CG 4.44Å; L190-K205 HydrophobicContact CD2-CD 4.11Å; K201-K205 WeakPolarHBondContact O-CB 3.36Å; K201-K205 PolarHBondContact O-N 3.06Å; E202-K205 PolarHBondContact O-N 3.13Å; E202-K205 WeakPolarHBondContact OE1-CE 3.23Å; E202-K205 IonicContact OE1-NZ 2.73Å; E202-K205 PolarHBondContact OE1-NZ 2.8Å; E202-K205 WeakPolarHBondContact OE2-CE 3.01Å; E202-K205 IonicContact OE2-NZ 2.88Å; E202-K205 PolarHBondContact OE2-NZ 3.16Å; V203-K205 VanDerWaalsContact C-N 3.31Å; V203-K205 PolarHBondContact O-N 3.32Å; K205-H208 PolarHBondContact O-N 2.95Å; K205-F209 WeakPolarHBondContact O-CB 3.32Å; K205-F209 PolarHBondContact O-N 3.38Å
206L98.9Very high98.6Very high0 Ų068.2 Ų68.20%032%0.318CS..Hα-helixtrans-62.7-44.9174.6-83.2161.4000112.3V53 I56 I60 I125 L188 L190 E202 V203 I204 H208 F209 L210V53-L206 HydrophobicContact CG2-CD1 4.24Å; V53-L206 HydrophobicContact CG2-CD2 4.44Å; I56-L206 HydrophobicContact CG2-CD1 3.68Å; I60-L206 HydrophobicContact CD1-CB 3.87Å; I125-L206 HydrophobicContact CD1-CD2 3.48Å; I125-L206 VanDerWaalsContact CD1-CD2 3.48Å; I125-L206 HydrophobicContact CG1-CD2 4.05Å; I125-L206 HydrophobicContact CG2-CD2 4.25Å; L188-L206 HydrophobicContact CD2-CD2 3.68Å; L188-L206 HydrophobicContact CD2-CG 4.14Å; L190-L206 HydrophobicContact CD1-CD1 4.02Å; L190-L206 HydrophobicContact CD1-CD2 3.88Å; L190-L206 HydrophobicContact CD1-CG 3.98Å; E202-L206 PolarHBondContact O-N 2.92Å; V203-L206 WeakPolarHBondContact O-CB 3.29Å; V203-L206 PolarHBondContact O-N 3.45Å; I204-L206 PolarHBondContact O-N 2.93Å; L206-H208 VanDerWaalsContact C-N 3.34Å; L206-H208 PolarHBondContact O-N 3.36Å; L206-F209 PolarHBondContact O-N 3.33Å; L206-L210 WeakPolarHBondContact O-CB 3.38Å; L206-L210 VanDerWaalsContact O-CG 3.29Å; L206-L210 WeakPolarHBondContact O-CG 3.19Å; L206-L210 PolarHBondContact O-N 3.32Å
207I98.8Very high98.5Very high0 Ų070.2 Ų70.20%033%0.328CS..Hα-helixtrans-58.8-45.8177.9-70.4167.6000110.9I60 V203 I204 L210 E211 R212 P214 L218 V219 I222I60-I207 HydrophobicContact CD1-CG1 3.7Å; I60-I207 HydrophobicContact CG1-CG1 3.78Å; I60-I207 HydrophobicContact CG2-CG1 4.42Å; V203-I207 HydrophobicContact CG1-CD1 3.77Å; V203-I207 HydrophobicContact CG1-CG1 4.37Å; V203-I207 VanDerWaalsContact O-CG1 3.31Å; V203-I207 WeakPolarHBondContact O-CG1 3.47Å; V203-I207 PolarHBondContact O-N 3.39Å; I204-I207 PolarHBondContact O-N 3.31Å; I207-L210 CarbonylContact O-C 3.51Å; I207-L210 PolarHBondContact O-N 2.89Å; I207-E211 PolarHBondContact O-N 3.22Å; I207-R212 HydrophobicContact CG2-CB 3.87Å; I207-R212 WeakPolarHBondContact CG2-O 3.4Å; I207-R212 PolarHBondContact O-N 2.72Å; I207-P214 HydrophobicContact CB-CB 4.3Å; I207-P214 HydrophobicContact CD1-CB 4.1Å; I207-P214 HydrophobicContact CG2-CB 3.76Å; I207-P214 HydrophobicContact CG2-CG 4.34Å; I207-L218 HydrophobicContact CD1-CD2 4.19Å; I207-L218 HydrophobicContact CD1-CG 4.37Å; I207-V219 HydrophobicContact CD1-CG2 3.73Å; I207-I222 HydrophobicContact CD1-CD1 4.07Å; I207-I222 HydrophobicContact CG1-CD1 4.47Å
208H98.8Very high98.5Very high111 Ų11165.7 Ų65.751%0.51431%0.308SS..Hα-helixtrans-64.8-44.6176.4-76.7-57.1000112.6I204 K205 L206 L210 E211I204-H208 PolarHBondContact O-CD2 2.82Å; I204-H208 PolarHBondContact O-N 3.5Å; K205-H208 PolarHBondContact O-N 2.95Å; L206-H208 VanDerWaalsContact C-N 3.34Å; L206-H208 PolarHBondContact O-N 3.36Å; H208-L210 PolarHBondContact O-N 3.43Å; H208-E211 PolarHBondContact O-N 3.37Å
209F98.7Very high98.5Very high31 Ų3162.3 Ų62.314%0.13629%0.29CS..Hα-helixtrans-59.8-35176.7177.6-104.2000112.1L40 K123 I125 R186 L188 K205 L206 E211L40-F209 HydrophobicContact CD1-CE1 4.48Å; K123-F209 HydrophobicContact CB-CE1 4.08Å; K123-F209 HydrophobicContact CB-CZ 4.04Å; K123-F209 HydrophobicContact CD-CE1 4.12Å; K123-F209 HydrophobicContact CD-CZ 4.21Å; K123-F209 HydrophobicContact CG-CE1 4.45Å; K123-F209 HydrophobicContact CG-CZ 4.22Å; K123-F209 PolarHBondContact NZ-O 3.41Å; I125-F209 HydrophobicContact CD1-CD1 4.46Å; I125-F209 HydrophobicContact CD1-CE1 4.48Å; I125-F209 HydrophobicContact CG1-CD1 4.03Å; I125-F209 HydrophobicContact CG1-CE1 3.74Å; R186-F209 WeakPolarHBondContact O-CZ 3.4Å; L188-F209 HydrophobicContact CB-CD1 3.89Å; L188-F209 HydrophobicContact CB-CD2 3.81Å; L188-F209 HydrophobicContact CB-CE1 3.86Å; L188-F209 HydrophobicContact CB-CE2 3.77Å; L188-F209 HydrophobicContact CB-CG 3.86Å; L188-F209 HydrophobicContact CB-CZ 3.79Å; L188-F209 HydrophobicContact CD1-CD2 4.48Å; L188-F209 HydrophobicContact CD2-CB 3.84Å; L188-F209 HydrophobicContact CD2-CD1 3.92Å; L188-F209 HydrophobicContact CD2-CD2 4.48Å; L188-F209 HydrophobicContact CD2-CG 3.82Å; L188-F209 HydrophobicContact CG-CD2 4.49Å; L188-F209 HydrophobicContact CG-CG 4.3Å; K205-F209 WeakPolarHBondContact O-CB 3.32Å; K205-F209 PolarHBondContact O-N 3.38Å; L206-F209 PolarHBondContact O-N 3.33Å; F209-E211 PolarHBondContact O-N 2.96Å
210L98.5Very high98.5Very high10 Ų1064.1 Ų64.15%0.05230%0.3CS..THydrogen-bonded Turntrans-84.78.4175.7-62.8177.6000113.6L40 I60 Y61 I125 L206 I207 H208 R212L40-L210 HydrophobicContact CD1-CD2 3.87Å; L40-L210 HydrophobicContact CD2-CD1 4.43Å; L40-L210 HydrophobicContact CD2-CD2 3.69Å; L40-L210 HydrophobicContact CG-CD2 4.4Å; I60-L210 HydrophobicContact CB-CD1 4.15Å; I60-L210 HydrophobicContact CD1-CD1 3.93Å; I60-L210 HydrophobicContact CG2-CB 4.22Å; I60-L210 HydrophobicContact CG2-CD1 3.84Å; Y61-L210 HydrophobicContact CD2-CD1 4.4Å; Y61-L210 HydrophobicContact CE2-CD1 4.04Å; Y61-L210 HydrophobicContact CE2-CD2 4.19Å; I125-L210 HydrophobicContact CD1-CD2 4.41Å; L206-L210 WeakPolarHBondContact O-CB 3.38Å; L206-L210 VanDerWaalsContact O-CG 3.29Å; L206-L210 WeakPolarHBondContact O-CG 3.19Å; L206-L210 PolarHBondContact O-N 3.32Å; I207-L210 CarbonylContact O-C 3.51Å; I207-L210 PolarHBondContact O-N 2.89Å; H208-L210 PolarHBondContact O-N 3.43Å; L210-R212 VanDerWaalsContact C-N 3.27Å; L210-R212 PolarHBondContact O-N 3.36Å
211E98.3Very high98.5Very high142 Ų14264 Ų6466%0.66430%0.302SS*.THydrogen-bonded Turntrans56.339176.3-63.9166.8-143.500113K123 I207 H208 F209K123-E211 WeakPolarHBondContact CE-OE1 3.46Å; K123-E211 IonicContact NZ-OE1 3.5Å; K123-E211 PolarHBondContact NZ-OE1 3.1Å; I207-E211 PolarHBondContact O-N 3.22Å; H208-E211 PolarHBondContact O-N 3.37Å; F209-E211 PolarHBondContact O-N 2.96Å
212R98.2Very high98.5Very high109 Ų10958.3 Ų58.341%0.41128%0.277SS..  trans-109.5166.8173.5-63.1-58-171.8-135.23.4110.8I60 I207 L210I60-R212 HydrophobicContact CG2-CB 4.12Å; I60-R212 HydrophobicContact CG2-CG 3.76Å; I207-R212 HydrophobicContact CG2-CB 3.87Å; I207-R212 WeakPolarHBondContact CG2-O 3.4Å; I207-R212 PolarHBondContact O-N 2.72Å; L210-R212 VanDerWaalsContact C-N 3.27Å; L210-R212 PolarHBondContact O-N 3.36Å
213K97.7Very high98.5Very high186 Ų18660 Ų6081%0.80929%0.286SS*.  trans-92123.2179.2-68.4-177.1-179.3177.60110.4S215K213-S215 PolarHBondContact O-N 3.43Å; K213-S215 VanDerWaalsContact O-N 3.07Å
214P97.6Very high98.5Very high45 Ų4565.8 Ų65.829%0.29231%0.312SS..  trans-83.580179.133.1-34.2000110.6I204 I207 V219I204-P214 HydrophobicContact CG1-CB 4.42Å; I204-P214 HydrophobicContact CG2-CB 4.43Å; I207-P214 HydrophobicContact CB-CB 4.3Å; I207-P214 HydrophobicContact CD1-CB 4.1Å; I207-P214 HydrophobicContact CG2-CB 3.76Å; I207-P214 HydrophobicContact CG2-CG 4.34Å; P214-V219 HydrophobicContact CB-CG2 4.25Å
215S98.3Very high98.5Very high61 Ų6163.9 Ų63.943%0.42730%0.303SS..  trans-70.1146.8166.765.20000109.8K213 E217 L218 V219K213-S215 PolarHBondContact O-N 3.43Å; K213-S215 VanDerWaalsContact O-N 3.07Å; S215-E217 PolarHBondContact O-N 3.09Å; S215-L218 PolarHBondContact O-N 2.78Å; S215-L218 VanDerWaalsContact O-N 3.13Å; S215-L218 VanDerWaalsContact OG-CB 3.26Å; S215-L218 WeakPolarHBondContact OG-CB 3.18Å; S215-L218 PolarHBondContact OG-N 2.9Å; S215-V219 WeakPolarHBondContact O-CG2 3.42Å; S215-V219 PolarHBondContact O-N 3.26Å
216E98.2Very high98.5Very high118 Ų11860.9 Ų60.955%0.55129%0.289SS*.Hα-helixtrans-54.6-41.8176.1-71.1-61.1148.800111.5R200 L218 V219 D220R200-E216 IonicContact CZ-OE2 3.82Å; R200-E216 IonicContact NH1-OE2 2.74Å; R200-E216 PolarHBondContact NH1-OE2 3.26Å; E216-L218 PolarHBondContact O-N 3.34Å; E216-V219 PolarHBondContact O-N 3.4Å; E216-D220 WeakPolarHBondContact O-CB 3.34Å; E216-D220 VanDerWaalsContact O-CG 3.22Å; E216-D220 PolarHBondContact O-N 3.08Å
217E98.3Very high98.5Very high120 Ų12062.8 Ų62.856%0.56130%0.303SS*.Hα-helixtrans-60.2-44.4177.4-173.5-173.2169.300112.8S215 K221S215-E217 PolarHBondContact O-N 3.09Å; E217-K221 HydrophobicContact CG-CD 4.41Å; E217-K221 WeakPolarHBondContact O-CB 3.24Å; E217-K221 WeakPolarHBondContact O-CG 3.23Å; E217-K221 PolarHBondContact O-N 3.33Å; E217-K221 VanDerWaalsContact OE1-CE 3.25Å; E217-K221 WeakPolarHBondContact OE1-CE 3.17Å; E217-K221 IonicContact OE1-NZ 2.78Å; E217-K221 PolarHBondContact OE1-NZ 3.19Å
218L98.4Very high98.5Very high15 Ų1565.1 Ų65.18%0.07931%0.313CS..Hα-helixtrans-64-45.7177.917560.2000110.6I207 S215 E216 K221 I222I207-L218 HydrophobicContact CD1-CD2 4.19Å; I207-L218 HydrophobicContact CD1-CG 4.37Å; S215-L218 PolarHBondContact O-N 2.78Å; S215-L218 VanDerWaalsContact O-N 3.13Å; S215-L218 VanDerWaalsContact OG-CB 3.26Å; S215-L218 WeakPolarHBondContact OG-CB 3.18Å; S215-L218 PolarHBondContact OG-N 2.9Å; E216-L218 PolarHBondContact O-N 3.34Å; L218-K221 PolarHBondContact O-N 2.94Å; L218-I222 HydrophobicContact CD1-CD1 3.76Å; L218-I222 HydrophobicContact CD1-CG1 4.16Å; L218-I222 HydrophobicContact CG-CD1 3.78Å; L218-I222 WeakPolarHBondContact O-CD1 3.48Å; L218-I222 VanDerWaalsContact O-CG1 3.25Å; L218-I222 WeakPolarHBondContact O-CG1 3.43Å; L218-I222 PolarHBondContact O-N 3.09Å
219V98.8Very high98.5Very high1 Ų165.2 Ų65.21%0.00631%0.314CS..Hα-helixtrans-61-47.1179.5173.80000110.5R200 V203 I204 I207 P214 S215 E216 K221 I222 I223R200-V219 HydrophobicContact CG-CG1 3.97Å; V203-V219 HydrophobicContact CG1-CG1 4.29Å; V203-V219 HydrophobicContact CG1-CG2 4.41Å; I204-V219 HydrophobicContact CG1-CG1 4.34Å; I204-V219 HydrophobicContact CG1-CG2 3.87Å; I207-V219 HydrophobicContact CD1-CG2 3.73Å; P214-V219 HydrophobicContact CB-CG2 4.25Å; S215-V219 WeakPolarHBondContact O-CG2 3.42Å; S215-V219 PolarHBondContact O-N 3.26Å; E216-V219 PolarHBondContact O-N 3.4Å; V219-K221 PolarHBondContact O-N 3.21Å; V219-I222 PolarHBondContact O-N 3.25Å; V219-I223 HydrophobicContact CG1-CD1 3.69Å; V219-I223 HydrophobicContact CG1-CG1 4.41Å; V219-I223 VanDerWaalsContact O-CG1 3.25Å; V219-I223 WeakPolarHBondContact O-CG1 3.43Å; V219-I223 PolarHBondContact O-N 2.58Å
220D98.8Very high98.5Very high77 Ų7767.3 Ų67.341%0.41232%0.324SS..Hα-helixtrans-61.5-44.5179-72.6-13.6000112.1R200 E216 I223 H224R200-D220 IonicContact CZ-OD1 3.48Å; R200-D220 IonicContact NH1-OD1 3.49Å; R200-D220 PolarHBondContact NH1-OD1 3.49Å; R200-D220 IonicContact NH2-OD1 3.18Å; R200-D220 PolarHBondContact NH2-OD1 3.34Å; E216-D220 WeakPolarHBondContact O-CB 3.34Å; E216-D220 VanDerWaalsContact O-CG 3.22Å; E216-D220 PolarHBondContact O-N 3.08Å; D220-I223 PolarHBondContact O-N 3.35Å; D220-H224 WeakPolarHBondContact O-CB 3.34Å; D220-H224 PolarHBondContact O-N 2.92Å
221K98.6Very high98.5Very high84 Ų8467 Ų6737%0.36532%0.322SS..Hα-helixtrans-61-46.2176.3-76.8178.9-173.4170.80111.8M59 E217 L218 V219 H224 H225M59-K221 HydrophobicContact CE-CB 4.16Å; E217-K221 HydrophobicContact CG-CD 4.41Å; E217-K221 WeakPolarHBondContact O-CB 3.24Å; E217-K221 WeakPolarHBondContact O-CG 3.23Å; E217-K221 PolarHBondContact O-N 3.33Å; E217-K221 VanDerWaalsContact OE1-CE 3.25Å; E217-K221 WeakPolarHBondContact OE1-CE 3.17Å; E217-K221 IonicContact OE1-NZ 2.78Å; E217-K221 PolarHBondContact OE1-NZ 3.19Å; L218-K221 PolarHBondContact O-N 2.94Å; V219-K221 PolarHBondContact O-N 3.21Å; K221-H224 PolarHBondContact O-N 2.87Å; K221-H225 VanDerWaalsContact O-CB 3.28Å; K221-H225 WeakPolarHBondContact O-CB 3.45Å; K221-H225 PolarHBondContact O-N 3.37Å
222I98.8Very high98.5Very high0 Ų063.6 Ų63.60%031%0.305CS..Hα-helixtrans-59.7-50177.4-69.8163.9000110.1I56 M59 I60 V203 I207 L218 V219 H224 T226I56-I222 HydrophobicContact CB-CG2 4.39Å; I56-I222 HydrophobicContact CG1-CG2 4.17Å; I56-I222 HydrophobicContact CG2-CG2 3.94Å; M59-I222 HydrophobicContact CB-CG1 3.79Å; M59-I222 HydrophobicContact CE-CG1 4.2Å; I60-I222 HydrophobicContact CD1-CD1 4.5Å; I60-I222 HydrophobicContact CG1-CD1 3.59Å; V203-I222 HydrophobicContact CB-CG2 4.46Å; V203-I222 HydrophobicContact CG1-CB 4.13Å; V203-I222 HydrophobicContact CG1-CD1 3.96Å; V203-I222 HydrophobicContact CG1-CG2 3.81Å; V203-I222 HydrophobicContact CG2-CG2 3.7Å; I207-I222 HydrophobicContact CD1-CD1 4.07Å; I207-I222 HydrophobicContact CG1-CD1 4.47Å; L218-I222 HydrophobicContact CD1-CD1 3.76Å; L218-I222 HydrophobicContact CD1-CG1 4.16Å; L218-I222 HydrophobicContact CG-CD1 3.78Å; L218-I222 WeakPolarHBondContact O-CD1 3.48Å; L218-I222 VanDerWaalsContact O-CG1 3.25Å; L218-I222 WeakPolarHBondContact O-CG1 3.43Å; L218-I222 PolarHBondContact O-N 3.09Å; V219-I222 PolarHBondContact O-N 3.25Å; I222-H224 VanDerWaalsContact C-N 3.33Å; I222-H224 PolarHBondContact O-N 3.1Å; I222-T226 HydrophobicContact CG2-CG2 4.31Å; I222-T226 VanDerWaalsContact O-CB 3.3Å; I222-T226 WeakPolarHBondContact O-CB 3.44Å; I222-T226 WeakPolarHBondContact O-CG2 3.38Å; I222-T226 PolarHBondContact O-N 3.3Å; I222-T226 PolarHBondContact O-OG1 3.39Å
223I98.8Very high98.6Very high38 Ų3863.9 Ų63.920%0.19532%0.315CS..Hα-helixtrans-59-45.7-177.6-69.8167.9000111.1I199 R200 V203 V219 D220 S227I199-I223 HydrophobicContact CG1-CG1 4.25Å; I199-I223 HydrophobicContact CG2-CD1 4.35Å; I199-I223 HydrophobicContact CG2-CG1 4.08Å; I199-I223 HydrophobicContact CG2-CG2 3.86Å; R200-I223 HydrophobicContact CB-CD1 3.8Å; R200-I223 HydrophobicContact CG-CD1 4.24Å; V203-I223 HydrophobicContact CG2-CG1 4.42Å; V219-I223 HydrophobicContact CG1-CD1 3.69Å; V219-I223 HydrophobicContact CG1-CG1 4.41Å; V219-I223 VanDerWaalsContact O-CG1 3.25Å; V219-I223 WeakPolarHBondContact O-CG1 3.43Å; V219-I223 PolarHBondContact O-N 2.58Å; D220-I223 PolarHBondContact O-N 3.35Å; I223-S227 PolarHBondContact O-N 3.08Å
224H98.8Very high98.6Very high120 Ų12055.7 Ų55.756%0.55628%0.28SS*.Hα-helixtrans-66-56.1-179.8178.561.8000111.7D220 K221 I222 T226 S227 E230D220-H224 WeakPolarHBondContact O-CB 3.34Å; D220-H224 PolarHBondContact O-N 2.92Å; K221-H224 PolarHBondContact O-N 2.87Å; I222-H224 VanDerWaalsContact C-N 3.33Å; I222-H224 PolarHBondContact O-N 3.1Å; H224-T226 VanDerWaalsContact C-N 3.28Å; H224-T226 PolarHBondContact O-N 3.07Å; H224-S227 VanDerWaalsContact O-CB 3.23Å; H224-S227 WeakPolarHBondContact O-CB 3.19Å; H224-S227 PolarHBondContact O-N 2.9Å; H224-S227 PolarHBondContact O-OG 2.86Å; H224-E230 IonicContact CE1-OE1 2.63Å; H224-E230 VanDerWaalsContact O-CG 3.26Å; H224-E230 WeakPolarHBondContact O-CG 3.44Å
225H98.8Very high98.6Very high9 Ų956.9 Ų56.94%0.04229%0.288CS..Hα-helixtrans-63.8-32.7-175.4-179.376.3000112.9E55 M59 V66 K221 S227 E230E55-H225 IonicContact OE1-CD2 2.68Å; E55-H225 IonicContact OE1-CE1 3.47Å; E55-H225 IonicContact OE1-NE2 2.74Å; E55-H225 PolarHBondContact OE1-NE2 3.05Å; M59-H225 HydrophobicContact CE-CB 3.89Å; M59-H225 HydrophobicContact SD-CB 4.37Å; M59-H225 PolarHBondContact SD-CD2 2.97Å; V66-H225 HydrophobicContact CG2-CB 4.46Å; K221-H225 VanDerWaalsContact O-CB 3.28Å; K221-H225 WeakPolarHBondContact O-CB 3.45Å; K221-H225 PolarHBondContact O-N 3.37Å; H225-S227 VanDerWaalsContact C-N 3.35Å; H225-E230 WeakPolarHBondContact O-CB 3.35Å
226T98.8Very high98.7Very high1 Ų154.3 Ų54.31%0.00627%0.27CS..THydrogen-bonded Turntrans-93.59178.269.20000113.2W52 E55 I56 M59 I222 H224W52-T226 VanDerWaalsContact CD1-O 3.3Å; W52-T226 PolarHBondContact NE1-O 3.23Å; E55-T226 HydrophobicContact CB-CG2 4.19Å; E55-T226 HydrophobicContact CG-CG2 3.91Å; I56-T226 HydrophobicContact CG1-CG2 3.75Å; M59-T226 HydrophobicContact CG-CG2 4.39Å; I222-T226 HydrophobicContact CG2-CG2 4.31Å; I222-T226 VanDerWaalsContact O-CB 3.3Å; I222-T226 WeakPolarHBondContact O-CB 3.44Å; I222-T226 WeakPolarHBondContact O-CG2 3.38Å; I222-T226 PolarHBondContact O-N 3.3Å; I222-T226 PolarHBondContact O-OG1 3.39Å; H224-T226 VanDerWaalsContact C-N 3.28Å; H224-T226 PolarHBondContact O-N 3.07Å
227S98.8Very high98.7Very high40 Ų4048.7 Ų48.728%0.2824%0.243SC..SBendtrans-64.6151.4171.776.80000110.7I223 H224 H225 Q229 E230 M231I223-S227 PolarHBondContact O-N 3.08Å; H224-S227 VanDerWaalsContact O-CB 3.23Å; H224-S227 WeakPolarHBondContact O-CB 3.19Å; H224-S227 PolarHBondContact O-N 2.9Å; H224-S227 PolarHBondContact O-OG 2.86Å; H225-S227 VanDerWaalsContact C-N 3.35Å; S227-Q229 VanDerWaalsContact C-N 3.28Å; S227-Q229 PolarHBondContact O-N 3.42Å; S227-E230 PolarHBondContact O-N 3.36Å; S227-E230 WeakPolarHBondContact OG-CG 3.33Å; S227-M231 WeakPolarHBondContact O-CG 3.48Å; S227-M231 PolarHBondContact O-N 3.02Å
228F98.7Very high98.7Very high49 Ų4943.6 Ų43.622%0.21522%0.22CC..Hα-helixtrans-58-38.9-175.1176.3-100.5000113.1K232 M255 K257F228-K232 HydrophobicContact CE1-CD 3.89Å; F228-K232 HydrophobicContact CZ-CD 4.07Å; F228-K232 WeakPolarHBondContact O-CB 3.32Å; F228-K232 PolarHBondContact O-N 2.91Å; F228-M255 HydrophobicContact CE2-CB 3.98Å; F228-M255 HydrophobicContact CE2-SD 4.41Å; F228-M255 HydrophobicContact CZ-CB 4.23Å; F228-M255 WeakPolarHBondContact CZ-O 3.49Å; F228-K257 VanDerWaalsContact CZ-C 3.44Å
229Q98.7Very high98.7Very high113 Ų11343.6 Ų43.653%0.52822%0.219SC..Hα-helixtrans-70.1-42.3-179.4-64.8-59.4-27.500111.8S227 K232 N233S227-Q229 VanDerWaalsContact C-N 3.28Å; S227-Q229 PolarHBondContact O-N 3.42Å; Q229-K232 PolarHBondContact O-N 3.33Å; Q229-N233 PolarHBondContact O-N 2.86Å; Q229-N233 VanDerWaalsContact O-N 3.13Å; Q229-N233 PolarHBondContact O-ND2 2.88Å
230E98.8Very high98.6Very high76 Ų7647.2 Ų47.236%0.35524%0.241SC..Hα-helixtrans-61.6-51.3175.8-69.7-53.213100110.8H224 H225 S227 K232 N233 N234H224-E230 IonicContact CE1-OE1 2.63Å; H224-E230 VanDerWaalsContact O-CG 3.26Å; H224-E230 WeakPolarHBondContact O-CG 3.44Å; H225-E230 WeakPolarHBondContact O-CB 3.35Å; S227-E230 PolarHBondContact O-N 3.36Å; S227-E230 WeakPolarHBondContact OG-CG 3.33Å; E230-K232 VanDerWaalsContact C-N 3.29Å; E230-K232 PolarHBondContact O-N 3.12Å; E230-N233 PolarHBondContact O-N 2.93Å; E230-N233 VanDerWaalsContact O-N 3.15Å; E230-N234 VanDerWaalsContact O-CB 3.28Å; E230-N234 WeakPolarHBondContact O-CB 3.12Å; E230-N234 PolarHBondContact O-N 3.31Å
231M98.8Very high98.6Very high3 Ų347.1 Ų47.12%0.01524%0.243CC..Hα-helixtrans-63.6-34178.8-65.7-168.775.600112.9T51 W52 E55 S227 N233 N234 T237 N238 M255T51-M231 HydrophobicContact CG2-CE 3.95Å; W52-M231 HydrophobicContact CG-SD 4.47Å; E55-M231 HydrophobicContact CB-CE 3.49Å; E55-M231 VanDerWaalsContact CB-CE 3.49Å; E55-M231 HydrophobicContact CB-SD 4.32Å; E55-M231 HydrophobicContact CG-CE 3.94Å; S227-M231 WeakPolarHBondContact O-CG 3.48Å; S227-M231 PolarHBondContact O-N 3.02Å; M231-N233 VanDerWaalsContact C-N 3.32Å; M231-N233 PolarHBondContact O-N 3.46Å; M231-N234 PolarHBondContact O-N 3.42Å; M231-T237 WeakPolarHBondContact CA-OG1 3.3Å; M231-T237 HydrophobicContact CE-CG2 3.93Å; M231-T237 PolarHBondContact O-OG1 2.77Å; M231-N238 WeakPolarHBondContact O-CB 3.12Å; M231-M255 HydrophobicContact CB-CE 3.89Å; M231-M255 HydrophobicContact CE-CE 4.05Å
232K98.7Very high98.4Very high71 Ų7144.2 Ų44.231%0.30923%0.232SC..Hα-helixtrans-62.7-39175.2178.6168.5-178167.40112.5F228 Q229 E230 N238 M255F228-K232 HydrophobicContact CE1-CD 3.89Å; F228-K232 HydrophobicContact CZ-CD 4.07Å; F228-K232 WeakPolarHBondContact O-CB 3.32Å; F228-K232 PolarHBondContact O-N 2.91Å; Q229-K232 PolarHBondContact O-N 3.33Å; E230-K232 VanDerWaalsContact C-N 3.29Å; E230-K232 PolarHBondContact O-N 3.12Å; K232-N238 WeakPolarHBondContact O-CB 3.06Å; K232-N238 PolarHBondContact O-ND2 2.95Å; K232-M255 HydrophobicContact CB-CB 3.81Å; K232-M255 HydrophobicContact CB-CG 4.3Å; K232-M255 HydrophobicContact CD-CB 4.35Å; K232-M255 HydrophobicContact CG-CB 3.86Å
233N98.6Very high98.2Very high114 Ų11447.2 Ų47.261%0.6125%0.251SS*.Hα-helixtrans-89.8-8-178.9-61.9-29.9000113Q229 E230 M231 P235Q229-N233 PolarHBondContact O-N 2.86Å; Q229-N233 VanDerWaalsContact O-N 3.13Å; Q229-N233 PolarHBondContact O-ND2 2.88Å; E230-N233 PolarHBondContact O-N 2.93Å; E230-N233 VanDerWaalsContact O-N 3.15Å; M231-N233 VanDerWaalsContact C-N 3.32Å; M231-N233 PolarHBondContact O-N 3.46Å; N233-P235 WeakPolarHBondContact O-CD 3.5Å
234N98.6Very high98.1Very high14 Ų1448.4 Ų48.48%0.07526%0.258CS..  trans-89.3111.7179.9-179.41.2000111.9E230 M231 S236 T237 N238E230-N234 VanDerWaalsContact O-CB 3.28Å; E230-N234 WeakPolarHBondContact O-CB 3.12Å; E230-N234 PolarHBondContact O-N 3.31Å; M231-N234 PolarHBondContact O-N 3.42Å; N234-S236 PolarHBondContact O-N 3.43Å; N234-S236 VanDerWaalsContact O-N 3.15Å; N234-S236 VanDerWaalsContact OD1-CB 3.29Å; N234-S236 WeakPolarHBondContact OD1-CB 3.3Å; N234-S236 PolarHBondContact OD1-N 2.86Å; N234-T237 PolarHBondContact O-N 2.94Å; N234-T237 PolarHBondContact O-OG1 2.93Å; N234-N238 WeakPolarHBondContact O-CB 3.15Å; N234-N238 PolarHBondContact O-N 3.43Å; N234-N238 PolarHBondContact O-ND2 3.42Å; N234-N238 PolarHBondContact O-OD1 3.34Å
235P98.4Very high97.8Very high70 Ų7049.8 Ų49.846%0.45527%0.265SS..THydrogen-bonded Turntrans-62.5-21.318026.6-34.7000113.8N233 T237 N238 T241N233-P235 WeakPolarHBondContact O-CD 3.5Å; P235-T237 VanDerWaalsContact C-N 3.26Å; P235-T237 PolarHBondContact O-N 3.03Å; P235-N238 VanDerWaalsContact CA-OD1 3.31Å; P235-N238 WeakPolarHBondContact CA-OD1 3.43Å; P235-T241 HydrophobicContact CB-CG2 4.49Å
236S98.4Very high97.6Very high7 Ų750.4 Ų50.45%0.04927%0.268CS..THydrogen-bonded Turntrans-67.5-27173.3176.90000112C69 D72 V73 I74 R77 N234C69-S236 PolarHBondContact O-OG 3.23Å; C69-S236 VanDerWaalsContact O-OG 3.09Å; D72-S236 PolarHBondContact O-OG 3.34Å; V73-S236 CarbonylContact C-O 3.53Å; I74-S236 WeakPolarHBondContact CB-O 3.36Å; I74-S236 PolarHBondContact N-O 3.18Å; R77-S236 PolarHBondContact NE-OG 3.16Å; R77-S236 PolarHBondContact NH2-OG 3.15Å; N234-S236 PolarHBondContact O-N 3.43Å; N234-S236 VanDerWaalsContact O-N 3.15Å; N234-S236 VanDerWaalsContact OD1-CB 3.29Å; N234-S236 WeakPolarHBondContact OD1-CB 3.3Å; N234-S236 PolarHBondContact OD1-N 2.86Å
237T98.6Very high97.5Very high0 Ų050.8 Ų50.80%027%0.27CS..THydrogen-bonded Turntrans-118.2-21.2-171.662.80000115.1T51 E55 I74 M231 N234 P235 Y239 M255T51-T237 WeakPolarHBondContact CG2-O 3.45Å; E55-T237 VanDerWaalsContact CD-CG2 3.48Å; E55-T237 HydrophobicContact CG-CG2 4.04Å; I74-T237 HydrophobicContact CD1-CG2 4.44Å; M231-T237 WeakPolarHBondContact CA-OG1 3.3Å; M231-T237 HydrophobicContact CE-CG2 3.93Å; M231-T237 PolarHBondContact O-OG1 2.77Å; N234-T237 PolarHBondContact O-N 2.94Å; N234-T237 PolarHBondContact O-OG1 2.93Å; P235-T237 VanDerWaalsContact C-N 3.26Å; P235-T237 PolarHBondContact O-N 3.03Å; T237-Y239 WeakPolarHBondContact O-CD2 3.44Å; T237-M255 WeakPolarHBondContact O-CE 3.45Å
238N98.4Very high97.4Very high13 Ų1351.4 Ų51.47%0.0727%0.27CS..SBendtrans-88.40.7-173.4698.4000114.4M231 K232 N234 P235 T240 Q249 M255M231-N238 WeakPolarHBondContact O-CB 3.12Å; K232-N238 WeakPolarHBondContact O-CB 3.06Å; K232-N238 PolarHBondContact O-ND2 2.95Å; N234-N238 WeakPolarHBondContact O-CB 3.15Å; N234-N238 PolarHBondContact O-N 3.43Å; N234-N238 PolarHBondContact O-ND2 3.42Å; N234-N238 PolarHBondContact O-OD1 3.34Å; P235-N238 VanDerWaalsContact CA-OD1 3.31Å; P235-N238 WeakPolarHBondContact CA-OD1 3.43Å; N238-T240 HydrophobicContact CB-CG2 4.46Å; N238-T240 PolarHBondContact ND2-OG1 3.28Å; N238-T240 PolarHBondContact O-N 2.81Å; N238-T240 WeakPolarHBondContact OD1-CB 3.46Å; N238-T240 WeakPolarHBondContact OD1-CG2 3.31Å; N238-T240 PolarHBondContact OD1-N 3.49Å; N238-T240 PolarHBondContact OD1-OG1 3.47Å; N238-Q249 PolarHBondContact O-NE2 3.37Å; N238-M255 HydrophobicContact CB-CG 4.1Å
239Y98.3Very high97.4Very high16 Ų1650.6 Ų50.66%0.06327%0.267CS..  trans63.215.9-179.2-67.3-99.4000115.6T51 I74 F75 T237 T241 L242 M247 Q249 F254T51-Y239 HydrophobicContact CG2-CE2 4.03Å; I74-Y239 HydrophobicContact CG2-CE2 3.88Å; F75-Y239 HydrophobicContact CB-CE1 4.14Å; F75-Y239 AromaticContact CD1-CD1 3.59Å; F75-Y239 HydrophobicContact CD1-CD1 3.59Å; F75-Y239 AromaticContact CD1-CE1 3.45Å; F75-Y239 HydrophobicContact CD1-CE1 3.45Å; F75-Y239 VanDerWaalsContact CD1-CE1 3.45Å; F75-Y239 AromaticContact CE1-CD1 3.92Å; F75-Y239 HydrophobicContact CE1-CD1 3.92Å; F75-Y239 HydrophobicContact CE1-CE1 4.25Å; F75-Y239 HydrophobicContact CG-CE1 4.17Å; T237-Y239 WeakPolarHBondContact O-CD2 3.44Å; Y239-T241 PolarHBondContact O-N 3.27Å; Y239-L242 HydrophobicContact CD1-CD1 3.77Å; Y239-L242 PolarHBondContact O-N 3.42Å; Y239-M247 HydrophobicContact CG-SD 4.43Å; Y239-Q249 PolarHBondContact O-NE2 3.31Å; Y239-Q249 VanDerWaalsContact O-NE2 3.09Å; Y239-F254 AromaticContact CD2-CD1 3.61Å; Y239-F254 HydrophobicContact CD2-CD1 3.61Å; Y239-F254 AromaticContact CD2-CD2 3.98Å; Y239-F254 HydrophobicContact CD2-CD2 3.98Å; Y239-F254 AromaticContact CD2-CE1 3.55Å; Y239-F254 HydrophobicContact CD2-CE1 3.55Å; Y239-F254 AromaticContact CD2-CE2 3.91Å; Y239-F254 HydrophobicContact CD2-CE2 3.91Å; Y239-F254 AromaticContact CD2-CG 3.83Å; Y239-F254 HydrophobicContact CD2-CG 3.83Å; Y239-F254 AromaticContact CD2-CZ 3.71Å; Y239-F254 HydrophobicContact CD2-CZ 3.71Å; Y239-F254 HydrophobicContact CE2-CD1 4.11Å; Y239-F254 HydrophobicContact CE2-CD2 4.46Å; Y239-F254 AromaticContact CE2-CE1 3.54Å; Y239-F254 HydrophobicContact CE2-CE1 3.54Å; Y239-F254 AromaticContact CE2-CE2 3.92Å; Y239-F254 HydrophobicContact CE2-CE2 3.92Å; Y239-F254 AromaticContact CE2-CZ 3.43Å; Y239-F254 HydrophobicContact CE2-CZ 3.43Å; Y239-F254 VanDerWaalsContact CE2-CZ 3.43Å; Y239-F254 HydrophobicContact CG-CD2 4.32Å; Y239-F254 HydrophobicContact CG-CE2 4.46Å; Y239-F254 HydrophobicContact CG-CG 4.36Å
240T98.1Very high97.4Very high76 Ų7653.3 Ų53.347%0.46628%0.277SS..THydrogen-bonded Turntrans-73.2-9.1-18058.30000113.6N238 L242N238-T240 HydrophobicContact CB-CG2 4.46Å; N238-T240 PolarHBondContact ND2-OG1 3.28Å; N238-T240 PolarHBondContact O-N 2.81Å; N238-T240 WeakPolarHBondContact OD1-CB 3.46Å; N238-T240 WeakPolarHBondContact OD1-CG2 3.31Å; N238-T240 PolarHBondContact OD1-N 3.49Å; N238-T240 PolarHBondContact OD1-OG1 3.47Å; T240-L242 VanDerWaalsContact C-N 3.28Å
241T97.3Very high97.3Very high75 Ų7553.5 Ų53.546%0.4628%0.283SS..THydrogen-bonded Turntrans-76.8-16.1172.5560000112.7V73 P235 Y239V73-T241 HydrophobicContact CG1-CG2 3.8Å; V73-T241 WeakPolarHBondContact CG1-OG1 3.45Å; P235-T241 HydrophobicContact CB-CG2 4.49Å; Y239-T241 PolarHBondContact O-N 3.27Å
242L95.4Very high97.3Very high24 Ų2453.7 Ų53.713%0.12629%0.285CS..SBendtrans-74.5140.1170.9-67.8-179.7000110F75 Y239 T240 I246 M247F75-L242 HydrophobicContact CE1-CD2 4.14Å; F75-L242 HydrophobicContact CE1-CG 4.04Å; F75-L242 HydrophobicContact CE2-CD2 4.18Å; F75-L242 HydrophobicContact CZ-CD2 3.65Å; F75-L242 HydrophobicContact CZ-CG 4.04Å; Y239-L242 HydrophobicContact CD1-CD1 3.77Å; Y239-L242 PolarHBondContact O-N 3.42Å; T240-L242 VanDerWaalsContact C-N 3.28Å; L242-I246 HydrophobicContact CD1-CG2 4.18Å; L242-M247 HydrophobicContact CB-CB 4.43Å; L242-M247 HydrophobicContact CD1-CB 4.42Å
243P95.1Very high97.3Very high62 Ų6252.8 Ų52.840%0.40329%0.286SS..  trans-69.7156.5178.132.3-38000111.7E245 I246 M247P243-E245 WeakPolarHBondContact CB-OE2 3.48Å; P243-E245 PolarHBondContact O-N 2.96Å; P243-I246 HydrophobicContact CG-CB 4.32Å; P243-I246 HydrophobicContact CG-CD1 3.66Å; P243-I246 HydrophobicContact CG-CG1 3.86Å; P243-I246 PolarHBondContact O-N 2.95Å; P243-M247 PolarHBondContact O-N 3.32Å
244D95.9Very high97.3Very high63 Ų6348.9 Ų48.934%0.33726%0.264SS..THydrogen-bonded Turntrans-60.5-28.3-175.9-78.6-19.6000112.1I246 N248 K250D244-I246 PolarHBondContact O-N 2.95Å; D244-N248 WeakPolarHBondContact O-CB 3.42Å; D244-N248 PolarHBondContact O-N 3.37Å; D244-K250 WeakPolarHBondContact OD2-CE 3.42Å; D244-K250 IonicContact OD2-NZ 2.64Å; D244-K250 PolarHBondContact OD2-NZ 3.11Å
245E93.4Very high97.3Very high150 Ų15049.2 Ų49.270%0.70127%0.265SS*.THydrogen-bonded Turntrans-68.7-11.6176-58.976-164.900113A146 P243A146-E245 WeakPolarHBondContact CB-O 3.5Å; P243-E245 WeakPolarHBondContact CB-OE2 3.48Å; P243-E245 PolarHBondContact O-N 2.96Å
246I93.2Very high97.3Very high22 Ų2248 Ų4811%0.11325%0.252CS..THydrogen-bonded Turntrans-108.4-47.6176.1-61.1-178.1000110.3L88 V145 A146 L242 P243 D244L88-I246 HydrophobicContact CD2-CD1 3.06Å; L88-I246 HydrophobicContact CD2-CG1 4.46Å; V145-I246 WeakPolarHBondContact CA-O 3.43Å; A146-I246 PolarHBondContact N-O 3.09Å; L242-I246 HydrophobicContact CD1-CG2 4.18Å; P243-I246 HydrophobicContact CG-CB 4.32Å; P243-I246 HydrophobicContact CG-CD1 3.66Å; P243-I246 HydrophobicContact CG-CG1 3.86Å; P243-I246 PolarHBondContact O-N 2.95Å; D244-I246 PolarHBondContact O-N 2.95Å
247M96.4Very high97.3Very high9 Ų951.7 Ų51.74%0.04427%0.267CS..BIsolated β-bridgetrans-142.393.9179.6-174.9175.4-73.800109.8F141 M144 V145 Y239 L242 P243 Q249 F254F141-M247 HydrophobicContact CE2-CE 3.88Å; M144-M247 HydrophobicContact CE-CE 3.97Å; M144-M247 HydrophobicContact CE-CG 4.07Å; M144-M247 HydrophobicContact CE-SD 3.84Å; M144-M247 HydrophobicContact CG-CG 4.41Å; M144-M247 CarbonylContact O-C 3.58Å; M144-M247 WeakPolarHBondContact O-CA 3.5Å; V145-M247 HydrophobicContact CG2-CB 4.48Å; V145-M247 HydrophobicContact CG2-CE 3.57Å; V145-M247 HydrophobicContact CG2-CG 4.05Å; Y239-M247 HydrophobicContact CG-SD 4.43Å; L242-M247 HydrophobicContact CB-CB 4.43Å; L242-M247 HydrophobicContact CD1-CB 4.42Å; P243-M247 PolarHBondContact O-N 3.32Å; M247-Q249 HydrophobicContact CG-CG 3.88Å; M247-Q249 PolarHBondContact O-N 2.96Å; M247-Q249 HydrophobicContact SD-CG 4.26Å; M247-F254 HydrophobicContact CE-CD2 3.67Å; M247-F254 HydrophobicContact CE-CE2 4.2Å; M247-F254 HydrophobicContact SD-CB 3.93Å; M247-F254 HydrophobicContact SD-CD2 3.77Å; M247-F254 HydrophobicContact SD-CG 4.25Å
248N97.9Very high97.2Very high52 Ų5252.4 Ų52.428%0.27827%0.274SS..  trans-76.786.6179.6-172-16.9000110.8M144 D244 K250 V251M144-N248 PolarHBondContact O-N 3.48Å; D244-N248 WeakPolarHBondContact O-CB 3.42Å; D244-N248 PolarHBondContact O-N 3.37Å; N248-K250 PolarHBondContact O-N 3.48Å; N248-K250 VanDerWaalsContact O-N 3.16Å; N248-K250 WeakPolarHBondContact OD1-CB 3.2Å; N248-K250 PolarHBondContact OD1-N 3.16Å; N248-V251 HydrophobicContact CB-CG2 4.1Å; N248-V251 WeakPolarHBondContact O-CB 3.38Å; N248-V251 PolarHBondContact O-N 3.39Å; N248-V251 VanDerWaalsContact O-N 3.11Å
249Q98.1Very high97.2Very high32 Ų3255 Ų5515%0.1529%0.287CS..THydrogen-bonded Turntrans-70.3-8.6-177.6-63.7-151.347.400114.1N238 Y239 M247 V251 S252N238-Q249 PolarHBondContact O-NE2 3.37Å; Y239-Q249 PolarHBondContact O-NE2 3.31Å; Y239-Q249 VanDerWaalsContact O-NE2 3.09Å; M247-Q249 HydrophobicContact CG-CG 3.88Å; M247-Q249 PolarHBondContact O-N 2.96Å; M247-Q249 HydrophobicContact SD-CG 4.26Å; Q249-V251 VanDerWaalsContact C-N 3.34Å; Q249-S252 WeakPolarHBondContact CA-O 3.41Å; Q249-S252 CarbonylContact O-C 3.46Å; Q249-S252 VanDerWaalsContact O-C 3.29Å
250K97.9Very high97.3Very high170 Ų17055.3 Ų55.374%0.73929%0.291SS*.THydrogen-bonded Turntrans-73.7-26.6171.8-58.2164.8-179.3155.10111.9D244 N248D244-K250 WeakPolarHBondContact OD2-CE 3.42Å; D244-K250 IonicContact OD2-NZ 2.64Å; D244-K250 PolarHBondContact OD2-NZ 3.11Å; N248-K250 PolarHBondContact O-N 3.48Å; N248-K250 VanDerWaalsContact O-N 3.16Å; N248-K250 WeakPolarHBondContact OD1-CB 3.2Å; N248-K250 PolarHBondContact OD1-N 3.16Å
251V98Very high97.3Very high81 Ų8152.3 Ų52.349%0.49128%0.275SS..THydrogen-bonded Turntrans-73.6-52172.7176.50000109.8L143 M144 N248 Q249L143-V251 HydrophobicContact CB-CG1 4.06Å; M144-V251 HydrophobicContact CB-CB 4.45Å; N248-V251 HydrophobicContact CB-CG2 4.1Å; N248-V251 WeakPolarHBondContact O-CB 3.38Å; N248-V251 PolarHBondContact O-N 3.39Å; N248-V251 VanDerWaalsContact O-N 3.11Å; Q249-V251 VanDerWaalsContact C-N 3.34Å
252S98.3Very high97.4Very high7 Ų748.8 Ų48.85%0.04925%0.253CS..SBendtrans-154.1131172.1173.30000108.6Q249Q249-S252 WeakPolarHBondContact CA-O 3.41Å; Q249-S252 CarbonylContact O-C 3.46Å; Q249-S252 VanDerWaalsContact O-C 3.29Å
253P98.3Very high97.5Very high51 Ų5149.1 Ų49.133%0.33125%0.253SS..  trans-69.9150.7175.827.5-32.9000111.2
254F98.6Very high97.7Very high32 Ų3251.1 Ų51.114%0.1426%0.255CS..SBendtrans-61.9-47.7176.5-177.5-89.9000111.2T51 F141 M144 Y239 M247 R256T51-F254 HydrophobicContact CG2-CE1 4.17Å; T51-F254 WeakPolarHBondContact OG1-CE1 3.49Å; T51-F254 VanDerWaalsContact OG1-CZ 3.28Å; T51-F254 WeakPolarHBondContact OG1-CZ 3.27Å; F141-F254 HydrophobicContact CE2-CD2 4.44Å; F141-F254 HydrophobicContact CE2-CE2 4.22Å; M144-F254 HydrophobicContact CE-CB 4.04Å; M144-F254 HydrophobicContact CE-CD2 3.81Å; M144-F254 HydrophobicContact CE-CG 4.37Å; Y239-F254 AromaticContact CD2-CD1 3.61Å; Y239-F254 HydrophobicContact CD2-CD1 3.61Å; Y239-F254 AromaticContact CD2-CD2 3.98Å; Y239-F254 HydrophobicContact CD2-CD2 3.98Å; Y239-F254 AromaticContact CD2-CE1 3.55Å; Y239-F254 HydrophobicContact CD2-CE1 3.55Å; Y239-F254 AromaticContact CD2-CE2 3.91Å; Y239-F254 HydrophobicContact CD2-CE2 3.91Å; Y239-F254 AromaticContact CD2-CG 3.83Å; Y239-F254 HydrophobicContact CD2-CG 3.83Å; Y239-F254 AromaticContact CD2-CZ 3.71Å; Y239-F254 HydrophobicContact CD2-CZ 3.71Å; Y239-F254 HydrophobicContact CE2-CD1 4.11Å; Y239-F254 HydrophobicContact CE2-CD2 4.46Å; Y239-F254 AromaticContact CE2-CE1 3.54Å; Y239-F254 HydrophobicContact CE2-CE1 3.54Å; Y239-F254 AromaticContact CE2-CE2 3.92Å; Y239-F254 HydrophobicContact CE2-CE2 3.92Å; Y239-F254 AromaticContact CE2-CZ 3.43Å; Y239-F254 HydrophobicContact CE2-CZ 3.43Å; Y239-F254 VanDerWaalsContact CE2-CZ 3.43Å; Y239-F254 HydrophobicContact CG-CD2 4.32Å; Y239-F254 HydrophobicContact CG-CE2 4.46Å; Y239-F254 HydrophobicContact CG-CG 4.36Å; M247-F254 HydrophobicContact CE-CD2 3.67Å; M247-F254 HydrophobicContact CE-CE2 4.2Å; M247-F254 HydrophobicContact SD-CB 3.93Å; M247-F254 HydrophobicContact SD-CD2 3.77Å; M247-F254 HydrophobicContact SD-CG 4.25Å; F254-R256 VanDerWaalsContact C-N 3.27Å; F254-R256 PolarHBondContact O-N 2.84Å
255M98.6Very high97.8Very high22 Ų2253.6 Ų53.611%0.10827%0.268CS..SBendtrans-81.973.1171.4-64.2-65.3-172.800109.8T51 F228 M231 K232 T237 N238T51-M255 HydrophobicContact CG2-CE 3.79Å; F228-M255 HydrophobicContact CE2-CB 3.98Å; F228-M255 HydrophobicContact CE2-SD 4.41Å; F228-M255 HydrophobicContact CZ-CB 4.23Å; F228-M255 WeakPolarHBondContact CZ-O 3.49Å; M231-M255 HydrophobicContact CB-CE 3.89Å; M231-M255 HydrophobicContact CE-CE 4.05Å; K232-M255 HydrophobicContact CB-CB 3.81Å; K232-M255 HydrophobicContact CB-CG 4.3Å; K232-M255 HydrophobicContact CD-CB 4.35Å; K232-M255 HydrophobicContact CG-CB 3.86Å; T237-M255 WeakPolarHBondContact O-CE 3.45Å; N238-M255 HydrophobicContact CB-CG 4.1Å
256R98.6Very high98.1Very high44 Ų4448.3 Ų48.317%0.16624%0.243CC..  trans-70.4-69.4-169.6-164.7-177.162.589.48.7114.1F254 D262F254-R256 VanDerWaalsContact C-N 3.27Å; F254-R256 PolarHBondContact O-N 2.84Å; R256-D262 IonicContact CZ-OD2 2.69Å; R256-D262 IonicContact NH1-OD2 3.76Å; R256-D262 PolarHBondContact NH1-OD2 2.92Å; R256-D262 IonicContact NH2-OD2 3.97Å; R256-D262 PolarHBondContact NH2-OD2 3.18Å
257K98.4Very high98.3Very high84 Ų8448 Ų4837%0.36524%0.242SC..  trans-132.3-36.5-177.7-73.3-174.9-176.6178.60114.9F228 I259 D262F228-K257 VanDerWaalsContact CZ-C 3.44Å; K257-I259 HydrophobicContact CB-CG1 4.17Å; K257-I259 HydrophobicContact CD-CD1 4.36Å; K257-I259 PolarHBondContact O-N 3.02Å; K257-D262 WeakPolarHBondContact CD-OD2 3.42Å; K257-D262 IonicContact NZ-OD1 2.82Å; K257-D262 PolarHBondContact NZ-OD1 3.22Å; K257-D262 IonicContact NZ-OD2 2.58Å; K257-D262 PolarHBondContact NZ-OD2 2.69Å
258G97.6Very high98.4Very high15 Ų1551.5 Ų51.516%0.15526%0.264CS..  trans6534.9176.400000115.3Y192 K196Y192-G258 WeakPolarHBondContact OH-CA 3.47Å; Y192-G258 PolarHBondContact OH-O 3.41Å; K196-G258 WeakPolarHBondContact CE-O 3.44Å; K196-G258 PolarHBondContact NZ-O 3.09Å
259I98.7Very high98.5Very high68 Ų6854.3 Ų54.335%0.34928%0.282SS..  trans-124.8158.4-178.865.6176.3000111.7R129 K257 D262R129-I259 PolarHBondContact NH2-O 2.92Å; K257-I259 HydrophobicContact CB-CG1 4.17Å; K257-I259 HydrophobicContact CD-CD1 4.36Å; K257-I259 PolarHBondContact O-N 3.02Å; I259-D262 HydrophobicContact CD1-CB 4.07Å; I259-D262 HydrophobicContact CG1-CB 4.06Å
260T98.8Very high98.5Very high23 Ų2356 Ų5614%0.14130%0.301CS..SBendtrans-91141.9163.2-59.40000109.1D133 E193 I294D133-T260 WeakPolarHBondContact OD2-CA 3.4Å; E193-T260 HydrophobicContact CG-CG2 3.75Å; T260-I294 HydrophobicContact CG2-CD1 4.18Å; T260-I294 HydrophobicContact CG2-CG1 4.08Å; T260-I294 WeakPolarHBondContact OG1-CD1 3.19Å
261G98.6Very high98.5Very high12 Ų1248.6 Ų48.612%0.12427%0.27CS..  trans968.1175.800000115.4D133 W263 K264D133-G261 PolarHBondContact OD1-N 2.89Å; D133-G261 PolarHBondContact OD2-N 3.34Å; G261-W263 PolarHBondContact O-N 3.24Å; G261-K264 WeakPolarHBondContact O-CB 2.88Å; G261-K264 WeakPolarHBondContact O-CG 3.42Å; G261-K264 PolarHBondContact O-N 3.49Å; G261-K264 VanDerWaalsContact O-N 3.13Å
262D98.8Very high98.6Very high1 Ų146.2 Ų46.21%0.00525%0.254CS..G310 helixtrans-67.7-19.2178.2-163.840.5000112.2D133 R256 K257 I259 K264 N265 H266D133-D262 PolarHBondContact OD1-N 3.09Å; R256-D262 IonicContact CZ-OD2 2.69Å; R256-D262 IonicContact NH1-OD2 3.76Å; R256-D262 PolarHBondContact NH1-OD2 2.92Å; R256-D262 IonicContact NH2-OD2 3.97Å; R256-D262 PolarHBondContact NH2-OD2 3.18Å; K257-D262 WeakPolarHBondContact CD-OD2 3.42Å; K257-D262 IonicContact NZ-OD1 2.82Å; K257-D262 PolarHBondContact NZ-OD1 3.22Å; K257-D262 IonicContact NZ-OD2 2.58Å; K257-D262 PolarHBondContact NZ-OD2 2.69Å; I259-D262 HydrophobicContact CD1-CB 4.07Å; I259-D262 HydrophobicContact CG1-CB 4.06Å; D262-K264 PolarHBondContact O-N 3.26Å; D262-K264 VanDerWaalsContact O-N 3.16Å; D262-N265 WeakPolarHBondContact O-CB 3.39Å; D262-N265 PolarHBondContact O-N 3.18Å; D262-N265 PolarHBondContact OD1-ND2 3.44Å; D262-H266 PolarHBondContact O-ND1 2.87Å; D262-H266 IonicContact OD1-CE1 3.52Å; D262-H266 IonicContact OD2-CE1 2.88Å; D262-H266 PolarHBondContact OD2-CE1 2.94Å; D262-H266 IonicContact OD2-ND1 3.68Å
263W98.8Very high98.6Very high31 Ų3152 Ų5212%0.11728%0.28CS..G310 helixtrans-51.4-32.316971.6-93.1000113.6K132 D133 V136 G261 N265 H266 F267 N272 T292K132-W263 HydrophobicContact CB-CB 3.48Å; K132-W263 VanDerWaalsContact CB-CB 3.48Å; K132-W263 HydrophobicContact CB-CD2 4.23Å; K132-W263 HydrophobicContact CB-CG 3.66Å; K132-W263 HydrophobicContact CD-CB 4.46Å; K132-W263 HydrophobicContact CD-CD2 3.66Å; K132-W263 HydrophobicContact CD-CE3 3.69Å; K132-W263 HydrophobicContact CD-CG 4.02Å; K132-W263 HydrophobicContact CD-CZ3 4.19Å; D133-W263 PolarHBondContact OD1-N 3.24Å; V136-W263 HydrophobicContact CG2-CB 4.32Å; G261-W263 PolarHBondContact O-N 3.24Å; W263-N265 PolarHBondContact O-N 3.13Å; W263-N265 VanDerWaalsContact O-N 3.15Å; W263-H266 PolarHBondContact O-N 2.82Å; W263-F267 HydrophobicContact CB-CD2 3.74Å; W263-F267 HydrophobicContact CB-CE2 3.89Å; W263-F267 HydrophobicContact CE3-CB 4.25Å; W263-F267 HydrophobicContact CE3-CD2 4.42Å; W263-F267 HydrophobicContact CE3-CG 4.43Å; W263-F267 WeakPolarHBondContact O-CD2 3.41Å; W263-F267 PolarHBondContact O-N 2.68Å; W263-N272 WeakPolarHBondContact CZ3-OD1 3.39Å; W263-T292 PolarHBondContact NE1-O 2.82Å
264K98.7Very high98.6Very high105 Ų10554.6 Ų54.646%0.45729%0.287SS..G310 helixtrans-61.6-23.5177.4-63.2-179.6179.9179.30113.1G261 D262 E293G261-K264 WeakPolarHBondContact O-CB 2.88Å; G261-K264 WeakPolarHBondContact O-CG 3.42Å; G261-K264 PolarHBondContact O-N 3.49Å; G261-K264 VanDerWaalsContact O-N 3.13Å; D262-K264 PolarHBondContact O-N 3.26Å; D262-K264 VanDerWaalsContact O-N 3.16Å; K264-E293 IonicContact NZ-OE2 3.57Å; K264-E293 PolarHBondContact NZ-OE2 2.81Å
265N98.7Very high98.6Very high115 Ų11553.1 Ų53.162%0.61528%0.28SS*.G310 helixtrans-88.6-3.9177.7-60.3-48000113.7D262 W263D262-N265 WeakPolarHBondContact O-CB 3.39Å; D262-N265 PolarHBondContact O-N 3.18Å; D262-N265 PolarHBondContact OD1-ND2 3.44Å; W263-N265 PolarHBondContact O-N 3.13Å; W263-N265 VanDerWaalsContact O-N 3.15Å
266H98.7Very high98.7Very high38 Ų3855.1 Ų55.118%0.17629%0.291CS..THydrogen-bonded Turntrans-127.4-40.4-170.8-60.475.4000112.7V136 Y140 F154 D262 W263 T268V136-H266 HydrophobicContact CG2-CB 3.81Å; Y140-H266 AromaticContact CE2-NE2 3.45Å; Y140-H266 WeakPolarHBondContact CE2-NE2 3.37Å; Y140-H266 AromaticContact CZ-NE2 3.85Å; Y140-H266 PolarHBondContact OH-NE2 3.15Å; F154-H266 HydrophobicContact CD1-CB 3.98Å; F154-H266 HydrophobicContact CE1-CB 3.59Å; F154-H266 HydrophobicContact CZ-CB 3.93Å; D262-H266 PolarHBondContact O-ND1 2.87Å; D262-H266 IonicContact OD1-CE1 3.52Å; D262-H266 IonicContact OD2-CE1 2.88Å; D262-H266 PolarHBondContact OD2-CE1 2.94Å; D262-H266 IonicContact OD2-ND1 3.68Å; W263-H266 PolarHBondContact O-N 2.82Å; H266-T268 PolarHBondContact O-N 2.75Å
267F98.7Very high98.7Very high17 Ų1759.9 Ų59.98%0.07531%0.313CS..  trans-76.1120.1178.6-76.8-106.3000109.7K132 V136 F154 V158 W263 L271 N272 F275K132-F267 HydrophobicContact CB-CE2 3.89Å; K132-F267 HydrophobicContact CB-CZ 4.05Å; K132-F267 HydrophobicContact CG-CE1 4.5Å; K132-F267 HydrophobicContact CG-CE2 4.37Å; K132-F267 HydrophobicContact CG-CZ 4.12Å; V136-F267 HydrophobicContact CG2-CD2 4.48Å; V136-F267 HydrophobicContact CG2-CE2 4.1Å; F154-F267 AromaticContact CE1-CD2 3.69Å; F154-F267 HydrophobicContact CE1-CD2 3.69Å; F154-F267 AromaticContact CE1-CE2 3.74Å; F154-F267 HydrophobicContact CE1-CE2 3.74Å; F154-F267 HydrophobicContact CE1-CG 4.16Å; F154-F267 HydrophobicContact CE1-CZ 4.21Å; F154-F267 AromaticContact CZ-CD2 3.88Å; F154-F267 HydrophobicContact CZ-CD2 3.88Å; F154-F267 AromaticContact CZ-CE2 3.47Å; F154-F267 HydrophobicContact CZ-CE2 3.47Å; F154-F267 VanDerWaalsContact CZ-CE2 3.47Å; F154-F267 AromaticContact CZ-CZ 3.97Å; F154-F267 HydrophobicContact CZ-CZ 3.97Å; V158-F267 HydrophobicContact CG1-CE1 4.04Å; V158-F267 HydrophobicContact CG1-CZ 4.39Å; V158-F267 HydrophobicContact CG2-CE1 4.23Å; V158-F267 HydrophobicContact CG2-CZ 4Å; W263-F267 HydrophobicContact CB-CD2 3.74Å; W263-F267 HydrophobicContact CB-CE2 3.89Å; W263-F267 HydrophobicContact CE3-CB 4.25Å; W263-F267 HydrophobicContact CE3-CD2 4.42Å; W263-F267 HydrophobicContact CE3-CG 4.43Å; W263-F267 WeakPolarHBondContact O-CD2 3.41Å; W263-F267 PolarHBondContact O-N 2.68Å; F267-L271 HydrophobicContact CD1-CB 4.41Å; F267-L271 HydrophobicContact CD1-CD2 4.03Å; F267-L271 HydrophobicContact CD1-CG 3.86Å; F267-L271 HydrophobicContact CE1-CD2 4.36Å; F267-L271 HydrophobicContact CE1-CG 4.23Å; F267-N272 HydrophobicContact CB-CB 4.2Å; F267-F275 HydrophobicContact CE1-CB 4.01Å; F267-F275 AromaticContact CE1-CD2 3.93Å; F267-F275 HydrophobicContact CE1-CD2 3.93Å; F267-F275 AromaticContact CE1-CG 3.94Å; F267-F275 HydrophobicContact CE1-CG 3.94Å; F267-F275 HydrophobicContact CZ-CD2 4.33Å
268T98.8Very high98.7Very high82 Ų8258 Ų5850%0.50331%0.305SS..  trans-65.8159.9163.366.10000109.4H266 A270 L271 N272H266-T268 PolarHBondContact O-N 2.75Å; T268-A270 VanDerWaalsContact C-N 3.3Å; T268-A270 PolarHBondContact O-N 2.93Å; T268-L271 PolarHBondContact O-N 2.83Å; T268-L271 WeakPolarHBondContact OG1-CB 3.49Å; T268-L271 PolarHBondContact OG1-N 2.97Å; T268-N272 WeakPolarHBondContact O-CB 3.28Å; T268-N272 PolarHBondContact O-N 3.14Å
269V98.6Very high98.7Very high110 Ų11059.4 Ų59.467%0.66731%0.307SS*.Hα-helixtrans-53-49177.5178.10000111.2L271 N272 E273V269-L271 PolarHBondContact O-N 3.42Å; V269-N272 WeakPolarHBondContact O-CB 3.24Å; V269-N272 PolarHBondContact O-N 2.77Å; V269-E273 WeakPolarHBondContact O-CG 3.16Å; V269-E273 PolarHBondContact O-N 2.71Å
270A98.6Very high98.7Very high67 Ų6761.2 Ų61.255%0.55431%0.313SS*.Hα-helixtrans-63.6-40.7-179.900000113.2T268 N272 K274T268-A270 VanDerWaalsContact C-N 3.3Å; T268-A270 PolarHBondContact O-N 2.93Å; A270-N272 VanDerWaalsContact C-N 3.33Å; A270-K274 WeakPolarHBondContact O-CB 3.32Å; A270-K274 PolarHBondContact O-N 3.47Å; A270-K274 VanDerWaalsContact O-N 3.11Å
271L98.8Very high98.7Very high16 Ų1665 Ų658%0.08433%0.33CS..Hα-helixtrans-68.1-36.9176.7-174.562.5000111.1F154 P155 V158 F267 T268 V269 F275F154-L271 HydrophobicContact CD1-CD2 4.09Å; F154-L271 HydrophobicContact CE1-CD2 4.08Å; P155-L271 HydrophobicContact CB-CD1 4.4Å; P155-L271 HydrophobicContact CB-CD2 4.14Å; P155-L271 HydrophobicContact CG-CD2 4.19Å; V158-L271 HydrophobicContact CB-CD1 4.32Å; V158-L271 HydrophobicContact CB-CD2 4.28Å; V158-L271 HydrophobicContact CG1-CD1 3.95Å; V158-L271 HydrophobicContact CG1-CD2 4.4Å; V158-L271 HydrophobicContact CG1-CG 4.31Å; V158-L271 HydrophobicContact CG2-CD2 4.19Å; F267-L271 HydrophobicContact CD1-CB 4.41Å; F267-L271 HydrophobicContact CD1-CD2 4.03Å; F267-L271 HydrophobicContact CD1-CG 3.86Å; F267-L271 HydrophobicContact CE1-CD2 4.36Å; F267-L271 HydrophobicContact CE1-CG 4.23Å; T268-L271 PolarHBondContact O-N 2.83Å; T268-L271 WeakPolarHBondContact OG1-CB 3.49Å; T268-L271 PolarHBondContact OG1-N 2.97Å; V269-L271 PolarHBondContact O-N 3.42Å; L271-F275 VanDerWaalsContact O-CB 3.31Å; L271-F275 WeakPolarHBondContact O-CB 3.38Å; L271-F275 PolarHBondContact O-N 3.19Å
272N98.9Very high98.7Very high30 Ų3067.5 Ų67.516%0.1634%0.338CS..Hα-helixtrans-63.1-48.7176.5-171.570.5000111.9K132 W263 F267 T268 V269 A270 K274 F275 D276K132-N272 WeakPolarHBondContact CE-OD1 3.47Å; K132-N272 PolarHBondContact NZ-OD1 3.41Å; W263-N272 WeakPolarHBondContact CZ3-OD1 3.39Å; F267-N272 HydrophobicContact CB-CB 4.2Å; T268-N272 WeakPolarHBondContact O-CB 3.28Å; T268-N272 PolarHBondContact O-N 3.14Å; V269-N272 WeakPolarHBondContact O-CB 3.24Å; V269-N272 PolarHBondContact O-N 2.77Å; A270-N272 VanDerWaalsContact C-N 3.33Å; N272-K274 VanDerWaalsContact C-N 3.34Å; N272-K274 PolarHBondContact O-N 2.95Å; N272-F275 PolarHBondContact O-N 2.93Å; N272-D276 PolarHBondContact ND2-OD2 3.2Å; N272-D276 WeakPolarHBondContact O-CB 3.39Å; N272-D276 PolarHBondContact O-N 2.85Å
273E98.8Very high98.7Very high128 Ų12867.8 Ų67.860%0.59834%0.339SS*.Hα-helixtrans-59.8-44177.4-72.1173.2172.800111.9V269 D276 K277V269-E273 WeakPolarHBondContact O-CG 3.16Å; V269-E273 PolarHBondContact O-N 2.71Å; E273-D276 PolarHBondContact O-N 3.26Å; E273-K277 PolarHBondContact O-N 3.22Å; E273-K277 VanDerWaalsContact O-N 3.08Å
274K98.8Very high98.6Very high107 Ų10772 Ų7247%0.46536%0.359SS..Hα-helixtrans-59.5-48.1174.8-175.2-177-176.7-174.80111.3E159 M162 A270 N272 H278E159-K274 IonicContact OE1-NZ 2.87Å; E159-K274 WeakPolarHBondContact OE2-CE 3.31Å; E159-K274 IonicContact OE2-NZ 2.97Å; E159-K274 PolarHBondContact OE2-NZ 3.24Å; M162-K274 HydrophobicContact CE-CD 4.19Å; M162-K274 HydrophobicContact CE-CG 4.45Å; A270-K274 WeakPolarHBondContact O-CB 3.32Å; A270-K274 PolarHBondContact O-N 3.47Å; A270-K274 VanDerWaalsContact O-N 3.11Å; N272-K274 VanDerWaalsContact C-N 3.34Å; N272-K274 PolarHBondContact O-N 2.95Å; K274-H278 PolarHBondContact O-N 3.19Å; K274-H278 VanDerWaalsContact O-N 3.15Å
275F98.9Very high98.6Very high1 Ų175.6 Ų75.60%0.00438%0.377CS..Hα-helixtrans-63.8-44.6-179.3-172.2-82.4000111.8A131 K132 V158 F161 M162 F267 L271 N272 K277 H278 Y279A131-F275 HydrophobicContact CB-CE1 4.15Å; A131-F275 HydrophobicContact CB-CZ 3.71Å; K132-F275 HydrophobicContact CD-CD1 4.3Å; K132-F275 HydrophobicContact CD-CE1 4.47Å; K132-F275 HydrophobicContact CG-CD1 3.79Å; K132-F275 HydrophobicContact CG-CE1 3.55Å; K132-F275 HydrophobicContact CG-CZ 4.16Å; V158-F275 HydrophobicContact CG1-CD2 3.8Å; V158-F275 HydrophobicContact CG1-CE2 4.38Å; F161-F275 HydrophobicContact CD1-CE2 4.02Å; F161-F275 HydrophobicContact CE1-CE2 4.08Å; F161-F275 HydrophobicContact CE1-CZ 4.14Å; M162-F275 HydrophobicContact CG-CD2 3.67Å; M162-F275 HydrophobicContact CG-CE2 3.85Å; M162-F275 HydrophobicContact SD-CB 4.28Å; M162-F275 HydrophobicContact SD-CD2 3.73Å; M162-F275 HydrophobicContact SD-CE2 4.48Å; M162-F275 HydrophobicContact SD-CG 4.33Å; F267-F275 HydrophobicContact CE1-CB 4.01Å; F267-F275 AromaticContact CE1-CD2 3.93Å; F267-F275 HydrophobicContact CE1-CD2 3.93Å; F267-F275 AromaticContact CE1-CG 3.94Å; F267-F275 HydrophobicContact CE1-CG 3.94Å; F267-F275 HydrophobicContact CZ-CD2 4.33Å; L271-F275 VanDerWaalsContact O-CB 3.31Å; L271-F275 WeakPolarHBondContact O-CB 3.38Å; L271-F275 PolarHBondContact O-N 3.19Å; N272-F275 PolarHBondContact O-N 2.93Å; F275-K277 PolarHBondContact O-N 3.36Å; F275-H278 PolarHBondContact O-N 3.35Å; F275-Y279 HydrophobicContact CE1-CD2 4Å; F275-Y279 HydrophobicContact CE1-CG 4.48Å; F275-Y279 VanDerWaalsContact O-CB 3.26Å; F275-Y279 WeakPolarHBondContact O-CB 3.35Å; F275-Y279 PolarHBondContact O-N 3.45Å
276D98.8Very high98.5Very high63 Ų6370.9 Ų70.934%0.33735%0.353SS..Hα-helixtrans-64.7-40.1-178.6-76.3-24.5000112K132 N272 E273 Y279 E280K132-D276 WeakPolarHBondContact CE-OD1 3.45Å; K132-D276 IonicContact NZ-OD1 2.58Å; K132-D276 PolarHBondContact NZ-OD1 3.21Å; K132-D276 IonicContact NZ-OD2 3.82Å; K132-D276 PolarHBondContact NZ-OD2 2.93Å; N272-D276 PolarHBondContact ND2-OD2 3.2Å; N272-D276 WeakPolarHBondContact O-CB 3.39Å; N272-D276 PolarHBondContact O-N 2.85Å; E273-D276 PolarHBondContact O-N 3.26Å; D276-Y279 PolarHBondContact O-N 3.14Å; D276-E280 PolarHBondContact O-N 3.33Å
277K98.8Very high98.5Very high145 Ų14574.4 Ų74.463%0.6338%0.377SS*.Hα-helixtrans-60.2-49.7173.2-176.4-178.1175.3-174.80111.6E273 F275 E280 E281E273-K277 PolarHBondContact O-N 3.22Å; E273-K277 VanDerWaalsContact O-N 3.08Å; F275-K277 PolarHBondContact O-N 3.36Å; K277-E280 PolarHBondContact O-N 2.74Å; K277-E281 WeakPolarHBondContact CE-OE1 3.4Å; K277-E281 WeakPolarHBondContact O-CG 3.48Å; K277-E281 PolarHBondContact O-N 3.06Å; K277-E281 VanDerWaalsContact O-N 3.16Å
278H98.8Very high98.5Very high43 Ų4373.8 Ų73.820%0.19938%0.375CS..Hα-helixtrans-62.6-43.2177.8-179.379.3000111.7M162 Y172 K274 F275 E280 E281 Q282M162-H278 PolarHBondContact O-NE2 3.2Å; M162-H278 HydrophobicContact SD-CB 4.02Å; Y172-H278 AromaticContact CE2-NE2 3.81Å; Y172-H278 AromaticContact CZ-CD2 3.74Å; Y172-H278 AromaticContact CZ-NE2 3.95Å; Y172-H278 PolarHBondContact OH-CD2 2.78Å; K274-H278 PolarHBondContact O-N 3.19Å; K274-H278 VanDerWaalsContact O-N 3.15Å; F275-H278 PolarHBondContact O-N 3.35Å; H278-E280 VanDerWaalsContact C-N 3.35Å; H278-E280 PolarHBondContact O-N 3.33Å; H278-E281 WeakPolarHBondContact O-CB 3.39Å; H278-E281 PolarHBondContact O-N 3.26Å; H278-Q282 VanDerWaalsContact O-CG 3.31Å; H278-Q282 WeakPolarHBondContact O-CG 3.34Å; H278-Q282 PolarHBondContact O-N 3.36Å
279Y98.8Very high98.4Very high45 Ų4576.6 Ų76.618%0.17638%0.38CS..Hα-helixtrans-58-46.4178.2-178.4-82.9000111.5A131 W171 Y172 F275 D276 E281 Q282 M283 F290A131-Y279 HydrophobicContact CB-CD2 4.3Å; A131-Y279 HydrophobicContact CB-CE2 4.12Å; W171-Y279 AromaticContact CH2-CE2 3.71Å; W171-Y279 HydrophobicContact CH2-CE2 3.71Å; W171-Y279 HydrophobicContact CZ3-CD2 4.27Å; W171-Y279 AromaticContact CZ3-CE2 3.53Å; W171-Y279 HydrophobicContact CZ3-CE2 3.53Å; Y172-Y279 HydrophobicContact CD1-CD2 4.41Å; Y172-Y279 AromaticContact CE1-CD2 3.81Å; Y172-Y279 HydrophobicContact CE1-CD2 3.81Å; Y172-Y279 HydrophobicContact CE1-CE2 4.48Å; Y172-Y279 HydrophobicContact CE1-CG 4.5Å; F275-Y279 HydrophobicContact CE1-CD2 4Å; F275-Y279 HydrophobicContact CE1-CG 4.48Å; F275-Y279 VanDerWaalsContact O-CB 3.26Å; F275-Y279 WeakPolarHBondContact O-CB 3.35Å; F275-Y279 PolarHBondContact O-N 3.45Å; D276-Y279 PolarHBondContact O-N 3.14Å; Y279-E281 PolarHBondContact O-N 2.58Å; Y279-Q282 PolarHBondContact O-N 2.98Å; Y279-Q282 VanDerWaalsContact O-N 3.17Å; Y279-M283 HydrophobicContact CD1-CB 4.19Å; Y279-M283 HydrophobicContact CD1-CG 4.14Å; Y279-M283 HydrophobicContact CD2-CG 4.21Å; Y279-M283 HydrophobicContact CE1-CB 3.82Å; Y279-M283 HydrophobicContact CE1-CG 3.83Å; Y279-M283 HydrophobicContact CE2-CG 3.91Å; Y279-M283 HydrophobicContact CG-CG 4.31Å; Y279-M283 VanDerWaalsContact O-CB 3.28Å; Y279-M283 WeakPolarHBondContact O-CB 3.41Å; Y279-M283 WeakPolarHBondContact O-CG 3.44Å; Y279-M283 PolarHBondContact O-N 3.49Å; Y279-F290 WeakPolarHBondContact OH-CD2 3.42Å
280E98.6Very high98.4Very high106 Ų10672.9 Ų72.950%0.49536%0.355SS..Hα-helixtrans-61.7-44.8177.8-175.358.7-157.200111.1D276 K277 H278 Q282 M283 K284D276-E280 PolarHBondContact O-N 3.33Å; K277-E280 PolarHBondContact O-N 2.74Å; H278-E280 VanDerWaalsContact C-N 3.35Å; H278-E280 PolarHBondContact O-N 3.33Å; E280-Q282 VanDerWaalsContact C-N 3.25Å; E280-Q282 PolarHBondContact O-N 3.47Å; E280-M283 PolarHBondContact O-N 3.41Å; E280-K284 WeakPolarHBondContact O-CB 3.36Å; E280-K284 WeakPolarHBondContact O-CG 3.11Å; E280-K284 PolarHBondContact O-N 3.2Å; E280-K284 VanDerWaalsContact OE1-CB 3.32Å; E280-K284 WeakPolarHBondContact OE1-CB 3.29Å
281E98.4Very high98.4Very high104 Ų10473.4 Ų73.449%0.48634%0.343SS..Hα-helixtrans-57.2-39174.9-70.1172.2-169.600112.2K277 H278 Y279K277-E281 WeakPolarHBondContact CE-OE1 3.4Å; K277-E281 WeakPolarHBondContact O-CG 3.48Å; K277-E281 PolarHBondContact O-N 3.06Å; K277-E281 VanDerWaalsContact O-N 3.16Å; H278-E281 WeakPolarHBondContact O-CB 3.39Å; H278-E281 PolarHBondContact O-N 3.26Å; Y279-E281 PolarHBondContact O-N 2.58Å
282Q98.7Very high98.4Very high64 Ų6475.1 Ų75.130%0.29935%0.354SS..Hα-helixtrans-77.2-31.5179.2-65.6-56.1-46.900114Y172 K176 H278 Y279 E280Y172-Q282 HydrophobicContact CD1-CB 3.58Å; Y172-Q282 HydrophobicContact CD1-CG 3.99Å; Y172-Q282 HydrophobicContact CD2-CG 4.17Å; Y172-Q282 HydrophobicContact CE1-CB 4.11Å; Y172-Q282 HydrophobicContact CE1-CG 4.21Å; Y172-Q282 HydrophobicContact CE2-CG 4.41Å; Y172-Q282 HydrophobicContact CG-CB 3.83Å; Y172-Q282 HydrophobicContact CG-CG 3.98Å; K176-Q282 PolarHBondContact NZ-O 3.41Å; H278-Q282 VanDerWaalsContact O-CG 3.31Å; H278-Q282 WeakPolarHBondContact O-CG 3.34Å; H278-Q282 PolarHBondContact O-N 3.36Å; Y279-Q282 PolarHBondContact O-N 2.98Å; Y279-Q282 VanDerWaalsContact O-N 3.17Å; E280-Q282 VanDerWaalsContact C-N 3.25Å; E280-Q282 PolarHBondContact O-N 3.47Å
283M98.5Very high98.2Very high6 Ų679 Ų793%0.0337%0.371CS..Hα-helixtrans-115.3-12.2-164.6-61.6-61.5-71.900114.7W171 Y172 V175 K176 Y279 E280 E285 S286 L288 F290W171-M283 HydrophobicContact CH2-CE 4.34Å; W171-M283 HydrophobicContact CZ3-CE 4.18Å; W171-M283 HydrophobicContact CZ3-SD 4.18Å; Y172-M283 HydrophobicContact CD1-CG 4.02Å; Y172-M283 HydrophobicContact CD1-SD 4.02Å; V175-M283 HydrophobicContact CG2-CE 3.97Å; K176-M283 HydrophobicContact CD-CE 4.4Å; K176-M283 HydrophobicContact CD-SD 3.83Å; K176-M283 HydrophobicContact CG-CE 3.98Å; K176-M283 HydrophobicContact CG-SD 3.95Å; Y279-M283 HydrophobicContact CD1-CB 4.19Å; Y279-M283 HydrophobicContact CD1-CG 4.14Å; Y279-M283 HydrophobicContact CD2-CG 4.21Å; Y279-M283 HydrophobicContact CE1-CB 3.82Å; Y279-M283 HydrophobicContact CE1-CG 3.83Å; Y279-M283 HydrophobicContact CE2-CG 3.91Å; Y279-M283 HydrophobicContact CG-CG 4.31Å; Y279-M283 VanDerWaalsContact O-CB 3.28Å; Y279-M283 WeakPolarHBondContact O-CB 3.41Å; Y279-M283 WeakPolarHBondContact O-CG 3.44Å; Y279-M283 PolarHBondContact O-N 3.49Å; E280-M283 PolarHBondContact O-N 3.41Å; M283-E285 PolarHBondContact O-N 3.02Å; M283-E285 VanDerWaalsContact O-N 3.1Å; M283-S286 WeakPolarHBondContact O-CB 3.47Å; M283-S286 PolarHBondContact O-N 3.03Å; M283-L288 HydrophobicContact CE-CD2 4.27Å; M283-F290 HydrophobicContact CE-CE2 4.33Å
284K97.3Very high97.7Very high120 Ų12078.5 Ų78.552%0.52237%0.371SS..THydrogen-bonded Turntrans-53.4-33.2-175.965-171.9-179.2179.50115.2E280 S286E280-K284 WeakPolarHBondContact O-CB 3.36Å; E280-K284 WeakPolarHBondContact O-CG 3.11Å; E280-K284 PolarHBondContact O-N 3.2Å; E280-K284 VanDerWaalsContact OE1-CB 3.32Å; E280-K284 WeakPolarHBondContact OE1-CB 3.29Å; K284-S286 VanDerWaalsContact C-N 3.33Å
285E97.3Very high97.7Very high180 Ų18077.1 Ų77.184%0.84137%0.367SS*.THydrogen-bonded Turntrans-84.5-7.4-179.8-61.3179.2178.700113.3M283M283-E285 PolarHBondContact O-N 3.02Å; M283-E285 VanDerWaalsContact O-N 3.1Å
286S97.6Very high97.6Very high17 Ų1781.1 Ų81.112%0.11939%0.386CS..  trans-89.9140.9178.3-1680000111.2M283 K284 L288M283-S286 WeakPolarHBondContact O-CB 3.47Å; M283-S286 PolarHBondContact O-N 3.03Å; K284-S286 VanDerWaalsContact C-N 3.33Å; S286-L288 VanDerWaalsContact OG-CB 3.3Å; S286-L288 WeakPolarHBondContact OG-CB 3.45Å; S286-L288 PolarHBondContact OG-N 3.26Å
287T98.1Very high97.6Very high111 Ų11182.1 Ų82.168%0.68139%0.389SS*.  trans-77.8-12.1168.657.80000112.7W179 K289W179-T287 PolarHBondContact NE1-OG1 3.09Å; T287-K289 PolarHBondContact O-N 3.22Å
288L98.2Very high97.5Very high4 Ų478.4 Ų78.42%0.02137%0.374CS..  trans-65.7126.2176-17858.7000110.6V175 W179 F189 F191 M283 S286 F290V175-L288 HydrophobicContact CB-CD2 3.89Å; V175-L288 HydrophobicContact CG2-CD2 3.84Å; W179-L288 HydrophobicContact CB-CD2 4.1Å; W179-L288 HydrophobicContact CD2-CB 4.11Å; W179-L288 HydrophobicContact CD2-CD1 3.79Å; W179-L288 HydrophobicContact CD2-CG 4.4Å; W179-L288 HydrophobicContact CE3-CD1 3.75Å; W179-L288 HydrophobicContact CG-CB 3.91Å; W179-L288 HydrophobicContact CG-CD1 4.24Å; W179-L288 HydrophobicContact CG-CD2 4.27Å; W179-L288 HydrophobicContact CG-CG 4.38Å; W179-L288 HydrophobicContact CH2-CD1 4.47Å; W179-L288 HydrophobicContact CZ3-CD1 4.11Å; F189-L288 HydrophobicContact CE1-CD1 3.88Å; F189-L288 HydrophobicContact CZ-CD1 3.96Å; F189-L288 HydrophobicContact CZ-CD2 4.19Å; F191-L288 HydrophobicContact CE1-CD1 3.57Å; F191-L288 HydrophobicContact CZ-CD1 3.54Å; M283-L288 HydrophobicContact CE-CD2 4.27Å; S286-L288 VanDerWaalsContact OG-CB 3.3Å; S286-L288 WeakPolarHBondContact OG-CB 3.45Å; S286-L288 PolarHBondContact OG-N 3.26Å; L288-F290 HydrophobicContact CD1-CE2 4.1Å; L288-F290 HydrophobicContact CD1-CZ 4.27Å; L288-F290 HydrophobicContact CD2-CD2 4.42Å; L288-F290 HydrophobicContact CD2-CE2 3.36Å; L288-F290 HydrophobicContact CD2-CZ 3.72Å; L288-F290 HydrophobicContact CG-CD2 4.09Å; L288-F290 HydrophobicContact CG-CE2 3.45Å; L288-F290 VanDerWaalsContact CG-CE2 3.45Å; L288-F290 HydrophobicContact CG-CZ 4.04Å
289K97.9Very high97.4Very high142 Ų14280.6 Ų80.662%0.61739%0.385SS*.  trans-122.3140.1177.6-59.4-59.6177.4-169.20110.3F191 T287F191-K289 WeakPolarHBondContact CE1-O 3.05Å; T287-K289 PolarHBondContact O-N 3.22Å
290F98.6Very high97.3Very high32 Ų3283 Ų8314%0.1440%0.399CS..  trans-119.4148.9178.5-74.2-88.6000110.5S128 N130 W171 V175 F191 Y279 M283 L288S128-F290 WeakPolarHBondContact OG-CE1 3.24Å; N130-F290 HydrophobicContact CB-CB 4.26Å; N130-F290 HydrophobicContact CB-CD1 4.45Å; W171-F290 AromaticContact CH2-CD2 3.82Å; W171-F290 HydrophobicContact CH2-CD2 3.82Å; W171-F290 AromaticContact CH2-CE2 3.47Å; W171-F290 HydrophobicContact CH2-CE2 3.47Å; W171-F290 VanDerWaalsContact CH2-CE2 3.47Å; W171-F290 HydrophobicContact CH2-CG 4.47Å; W171-F290 AromaticContact CH2-CZ 3.9Å; W171-F290 HydrophobicContact CH2-CZ 3.9Å; W171-F290 HydrophobicContact CZ2-CD1 4.49Å; W171-F290 HydrophobicContact CZ2-CD2 4.22Å; W171-F290 HydrophobicContact CZ2-CE1 4.04Å; W171-F290 AromaticContact CZ2-CE2 3.7Å; W171-F290 HydrophobicContact CZ2-CE2 3.7Å; W171-F290 AromaticContact CZ2-CZ 3.61Å; W171-F290 HydrophobicContact CZ2-CZ 3.61Å; V175-F290 HydrophobicContact CB-CZ 4.22Å; V175-F290 HydrophobicContact CG1-CZ 4.16Å; V175-F290 HydrophobicContact CG2-CE2 4.21Å; V175-F290 HydrophobicContact CG2-CZ 4.33Å; F191-F290 HydrophobicContact CD1-CD1 4.01Å; F191-F290 AromaticContact CD1-CE1 3.92Å; F191-F290 HydrophobicContact CD1-CE1 3.92Å; F191-F290 HydrophobicContact CE1-CD1 4.18Å; F191-F290 AromaticContact CE1-CE1 3.99Å; F191-F290 HydrophobicContact CE1-CE1 3.99Å; F191-F290 HydrophobicContact CE1-CZ 4.37Å; Y279-F290 WeakPolarHBondContact OH-CD2 3.42Å; M283-F290 HydrophobicContact CE-CE2 4.33Å; L288-F290 HydrophobicContact CD1-CE2 4.1Å; L288-F290 HydrophobicContact CD1-CZ 4.27Å; L288-F290 HydrophobicContact CD2-CD2 4.42Å; L288-F290 HydrophobicContact CD2-CE2 3.36Å; L288-F290 HydrophobicContact CD2-CZ 3.72Å; L288-F290 HydrophobicContact CG-CD2 4.09Å; L288-F290 HydrophobicContact CG-CE2 3.45Å; L288-F290 VanDerWaalsContact CG-CE2 3.45Å; L288-F290 HydrophobicContact CG-CZ 4.04Å
291R98.6Very high97.2Very high78 Ų7881.4 Ų81.429%0.29439%0.392SS..  trans-99.8138.1169.6-59.9-176.3-70.5168.3-7.8109.1N130 E193 D194 E197N130-R291 VanDerWaalsContact CB-O 3.28Å; N130-R291 WeakPolarHBondContact CB-O 3.26Å; E193-R291 HydrophobicContact CG-CB 4.43Å; E193-R291 WeakPolarHBondContact CG-O 3.38Å; D194-R291 IonicContact OD1-CZ 3.19Å; D194-R291 IonicContact OD1-NE 2.62Å; D194-R291 IonicContact OD1-NH2 2.8Å; D194-R291 PolarHBondContact OD1-NH2 3.07Å; E197-R291 IonicContact OE1-CZ 3.88Å; E197-R291 IonicContact OE1-NH1 3.63Å; E197-R291 PolarHBondContact OE1-NH1 3.32Å; E197-R291 IonicContact OE2-CZ 2.67Å; E197-R291 IonicContact OE2-NH1 3.96Å; E197-R291 PolarHBondContact OE2-NH1 3.47Å; E197-R291 IonicContact OE2-NH2 3.31Å; E197-R291 PolarHBondContact OE2-NH2 3.18Å
292T98.1Very high97.1Very high51 Ų5179.6 Ų79.631%0.31339%0.385SS..SBendtrans-103.42.2177.5520000112.3N130 W263N130-T292 HydrophobicContact CB-CG2 4.23Å; W263-T292 PolarHBondContact NE1-O 2.82Å
293E94.5Very high97Very high112 Ų11280.9 Ų80.952%0.52339%0.392SS..  trans-154.9161.2178.160.2-171.1-174.900110K264K264-E293 IonicContact NZ-OE2 3.57Å; K264-E293 PolarHBondContact NZ-OE2 2.81Å
294I89.1Confident96.8Very high118 Ų11887.7 Ų87.761%0.60543%0.425SS*.  trans-134.60177.7-57168.2000107.1E193 K196 E197 T260E193-I294 HydrophobicContact CB-CD1 4.04Å; E193-I294 HydrophobicContact CB-CG1 4.24Å; E193-I294 HydrophobicContact CG-CD1 4.48Å; E193-I294 VanDerWaalsContact O-CD1 3.23Å; E193-I294 WeakPolarHBondContact O-CD1 3.2Å; K196-I294 HydrophobicContact CB-CD1 3.23Å; K196-I294 HydrophobicContact CG-CD1 4.16Å; E197-I294 HydrophobicContact CB-CG2 3.75Å; E197-I294 HydrophobicContact CG-CG2 4.02Å; T260-I294 HydrophobicContact CG2-CD1 4.18Å; T260-I294 HydrophobicContact CG2-CG1 4.08Å; T260-I294 WeakPolarHBondContact OG1-CD1 3.19Å

Retrieved 294 of 294 residues in 418.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).